USER MOD reduce.3.24.130724 H: found=0, std=0, add=937, rem=0, adj=43 USER MOD reduce.3.24.130724 removed 935 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 80 THR OG1 : rot -120:sc= 0.104 USER MOD Set 1.2: A 86 SER OG : rot 174:sc= 0.109 USER MOD Set 2.1: A 42 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 43 THR OG1 : rot 180:sc= -0.172 USER MOD Set 2.3: A 57 ASN : amide:sc= -1.2! K(o=-1.4!,f=-2.2) USER MOD Set 3.1: A 17 THR OG1 : rot 36:sc= 0.444 USER MOD Set 3.2: A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 ASN :FLIP amide:sc= -9.9! C(o=-10!,f=-9.9!) USER MOD Single : A 1 ASN N :NH3+ 140:sc= 0.0536 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= -0.162 USER MOD Single : A 14 MET CE :methyl 171:sc= -1.54 (180deg=-1.82) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.0763 USER MOD Single : A 24 LYS NZ :NH3+ 163:sc= -0.0207 (180deg=-0.287) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.0902 USER MOD Single : A 27 THR OG1 : rot 160:sc= 0 USER MOD Single : A 28 THR OG1 : rot -15:sc= 0.704 USER MOD Single : A 30 LYS NZ :NH3+ -162:sc= -0.103 (180deg=-0.454) USER MOD Single : A 31 TYR OH : rot 130:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.33 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot -24:sc= 0.476 USER MOD Single : A 41 HIS : no HD1:sc= -4.07! C(o=-4.1!,f=-7.8!) USER MOD Single : A 44 GLN :FLIP amide:sc= -0.956 F(o=-2.6!,f=-0.96) USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.0712 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN :FLIP amide:sc= -3.59 F(o=-9.6!,f=-3.6) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= -0.654 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 87:sc= 1.08 USER MOD Single : A 63 LYS NZ :NH3+ 172:sc= -0.202 (180deg=-0.24) USER MOD Single : A 67 HIS : no HD1:sc= 0.414 K(o=0.41,f=-4.6!) USER MOD Single : A 73 ASN :FLIP amide:sc= -0.54 F(o=-1.9,f=-0.54) USER MOD Single : A 75 GLN : amide:sc= 0 K(o=0,f=-1.6) USER MOD Single : A 79 LYS NZ :NH3+ 156:sc= -0.505 (180deg=-2.13!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 GLN :FLIP amide:sc= -2.4 F(o=-8.3!,f=-2.4) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot -93:sc= 0.624 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot -85:sc= 1.43 USER MOD Single : A 109 GLN : amide:sc= -0.182 X(o=-0.18,f=-0.39) USER MOD Single : A 116 SER OG : rot 96:sc= 1.2 USER MOD Single : A 117 HIS : no HE2:sc= -0.319 K(o=-0.32,f=-1.4) USER MOD Single : A 121 GLN :FLIP amide:sc= 0 F(o=-0.63,f=0) USER MOD ----------------------------------------------------------------- ATOM 20 N ASN A 1 32.328 -1.060 -1.794 1.00 0.00 N ATOM 21 CA ASN A 1 31.181 -0.183 -1.993 1.00 0.00 C ATOM 22 C ASN A 1 30.246 -0.734 -3.064 1.00 0.00 C ATOM 23 O ASN A 1 30.676 -1.439 -3.977 1.00 0.00 O ATOM 24 CB ASN A 1 31.651 1.223 -2.361 1.00 0.00 C ATOM 25 CG ASN A 1 32.020 2.032 -1.135 1.00 0.00 C ATOM 26 OD1 ASN A 1 31.283 1.819 -0.051 1.00 0.00 O flip ATOM 27 ND2 ASN A 1 32.951 2.838 -1.160 1.00 0.00 N flip ATOM 0 H1 ASN A 1 33.185 -0.486 -1.662 1.00 0.00 H new ATOM 0 H2 ASN A 1 32.173 -1.649 -0.951 1.00 0.00 H new ATOM 0 H3 ASN A 1 32.446 -1.672 -2.627 1.00 0.00 H new ATOM 0 HA ASN A 1 30.623 -0.134 -1.058 1.00 0.00 H new ATOM 0 HB2 ASN A 1 32.513 1.156 -3.025 1.00 0.00 H new ATOM 0 HB3 ASN A 1 30.863 1.737 -2.912 1.00 0.00 H new ATOM 0 HD21 ASN A 1 33.490 2.968 -2.016 1.00 0.00 H new ATOM 0 HD22 ASN A 1 33.183 3.375 -0.325 1.00 0.00 H new ATOM 34 N CYS A 2 28.964 -0.405 -2.941 1.00 0.00 N ATOM 35 CA CYS A 2 27.958 -0.881 -3.885 1.00 0.00 C ATOM 36 C CYS A 2 27.663 0.148 -4.971 1.00 0.00 C ATOM 37 O CYS A 2 26.923 -0.138 -5.912 1.00 0.00 O ATOM 38 CB CYS A 2 26.669 -1.241 -3.147 1.00 0.00 C ATOM 39 SG CYS A 2 26.817 -2.705 -2.073 1.00 0.00 S ATOM 0 H CYS A 2 28.597 0.189 -2.197 1.00 0.00 H new ATOM 0 HA CYS A 2 28.362 -1.770 -4.370 1.00 0.00 H new ATOM 0 HB2 CYS A 2 26.358 -0.389 -2.542 1.00 0.00 H new ATOM 0 HB3 CYS A 2 25.880 -1.417 -3.878 1.00 0.00 H new ATOM 44 N GLY A 3 28.234 1.343 -4.846 1.00 0.00 N ATOM 45 CA GLY A 3 27.986 2.392 -5.816 1.00 0.00 C ATOM 46 C GLY A 3 26.733 3.183 -5.483 1.00 0.00 C ATOM 47 O GLY A 3 25.949 2.764 -4.632 1.00 0.00 O ATOM 0 H GLY A 3 28.865 1.603 -4.088 1.00 0.00 H new ATOM 0 HA2 GLY A 3 28.843 3.065 -5.850 1.00 0.00 H new ATOM 0 HA3 GLY A 3 27.886 1.953 -6.809 1.00 0.00 H new ATOM 51 N PRO A 4 26.518 4.343 -6.134 1.00 0.00 N ATOM 52 CA PRO A 4 25.338 5.180 -5.890 1.00 0.00 C ATOM 53 C PRO A 4 24.054 4.358 -5.795 1.00 0.00 C ATOM 54 O PRO A 4 23.921 3.326 -6.451 1.00 0.00 O ATOM 55 CB PRO A 4 25.313 6.094 -7.113 1.00 0.00 C ATOM 56 CG PRO A 4 26.750 6.248 -7.481 1.00 0.00 C ATOM 57 CD PRO A 4 27.406 4.931 -7.156 1.00 0.00 C ATOM 0 HA PRO A 4 25.393 5.714 -4.942 1.00 0.00 H new ATOM 0 HB2 PRO A 4 24.738 5.654 -7.928 1.00 0.00 H new ATOM 0 HB3 PRO A 4 24.855 7.056 -6.883 1.00 0.00 H new ATOM 0 HG2 PRO A 4 26.858 6.487 -8.539 1.00 0.00 H new ATOM 0 HG3 PRO A 4 27.211 7.062 -6.921 1.00 0.00 H new ATOM 0 HD2 PRO A 4 27.482 4.293 -8.036 1.00 0.00 H new ATOM 0 HD3 PRO A 4 28.418 5.070 -6.776 1.00 0.00 H new ATOM 65 N PRO A 5 23.090 4.811 -4.974 1.00 0.00 N ATOM 66 CA PRO A 5 21.820 4.108 -4.776 1.00 0.00 C ATOM 67 C PRO A 5 20.900 4.183 -5.992 1.00 0.00 C ATOM 68 O PRO A 5 20.369 5.245 -6.312 1.00 0.00 O ATOM 69 CB PRO A 5 21.176 4.833 -3.582 1.00 0.00 C ATOM 70 CG PRO A 5 22.238 5.727 -3.030 1.00 0.00 C ATOM 71 CD PRO A 5 23.154 6.040 -4.174 1.00 0.00 C ATOM 0 HA PRO A 5 21.984 3.043 -4.611 1.00 0.00 H new ATOM 0 HB2 PRO A 5 20.305 5.408 -3.897 1.00 0.00 H new ATOM 0 HB3 PRO A 5 20.834 4.122 -2.830 1.00 0.00 H new ATOM 0 HG2 PRO A 5 21.805 6.638 -2.617 1.00 0.00 H new ATOM 0 HG3 PRO A 5 22.779 5.236 -2.221 1.00 0.00 H new ATOM 0 HD2 PRO A 5 22.817 6.910 -4.738 1.00 0.00 H new ATOM 0 HD3 PRO A 5 24.168 6.252 -3.836 1.00 0.00 H new ATOM 79 N PRO A 6 20.711 3.048 -6.690 1.00 0.00 N ATOM 80 CA PRO A 6 19.834 2.973 -7.865 1.00 0.00 C ATOM 81 C PRO A 6 18.417 3.424 -7.536 1.00 0.00 C ATOM 82 O PRO A 6 18.113 3.870 -6.429 1.00 0.00 O ATOM 83 CB PRO A 6 19.831 1.479 -8.227 1.00 0.00 C ATOM 84 CG PRO A 6 20.422 0.773 -7.054 1.00 0.00 C ATOM 85 CD PRO A 6 21.345 1.754 -6.397 1.00 0.00 C ATOM 0 HA PRO A 6 20.180 3.619 -8.672 1.00 0.00 H new ATOM 0 HB2 PRO A 6 18.819 1.127 -8.425 1.00 0.00 H new ATOM 0 HB3 PRO A 6 20.415 1.294 -9.129 1.00 0.00 H new ATOM 0 HG2 PRO A 6 19.644 0.448 -6.363 1.00 0.00 H new ATOM 0 HG3 PRO A 6 20.963 -0.120 -7.369 1.00 0.00 H new ATOM 0 HD2 PRO A 6 21.426 1.577 -5.324 1.00 0.00 H new ATOM 0 HD3 PRO A 6 22.354 1.696 -6.806 1.00 0.00 H new ATOM 93 N THR A 7 17.559 3.284 -8.544 1.00 0.00 N ATOM 94 CA THR A 7 16.159 3.665 -8.444 1.00 0.00 C ATOM 95 C THR A 7 15.296 2.435 -8.202 1.00 0.00 C ATOM 96 O THR A 7 15.439 1.426 -8.893 1.00 0.00 O ATOM 97 CB THR A 7 15.679 4.373 -9.726 1.00 0.00 C ATOM 98 OG1 THR A 7 16.528 5.491 -10.013 1.00 0.00 O ATOM 99 CG2 THR A 7 14.242 4.847 -9.579 1.00 0.00 C ATOM 0 H THR A 7 17.819 2.902 -9.453 1.00 0.00 H new ATOM 0 HA THR A 7 16.064 4.355 -7.606 1.00 0.00 H new ATOM 0 HB THR A 7 15.726 3.659 -10.548 1.00 0.00 H new ATOM 0 HG1 THR A 7 16.219 5.936 -10.830 1.00 0.00 H new ATOM 0 HG21 THR A 7 13.927 5.343 -10.497 1.00 0.00 H new ATOM 0 HG22 THR A 7 13.594 3.991 -9.388 1.00 0.00 H new ATOM 0 HG23 THR A 7 14.173 5.547 -8.746 1.00 0.00 H new ATOM 107 N LEU A 8 14.402 2.516 -7.228 1.00 0.00 N ATOM 108 CA LEU A 8 13.527 1.397 -6.919 1.00 0.00 C ATOM 109 C LEU A 8 12.063 1.752 -7.151 1.00 0.00 C ATOM 110 O LEU A 8 11.746 2.792 -7.730 1.00 0.00 O ATOM 111 CB LEU A 8 13.750 0.956 -5.473 1.00 0.00 C ATOM 112 CG LEU A 8 15.212 0.684 -5.115 1.00 0.00 C ATOM 113 CD1 LEU A 8 15.942 1.981 -4.803 1.00 0.00 C ATOM 114 CD2 LEU A 8 15.307 -0.275 -3.942 1.00 0.00 C ATOM 0 H LEU A 8 14.264 3.339 -6.642 1.00 0.00 H new ATOM 0 HA LEU A 8 13.772 0.573 -7.590 1.00 0.00 H new ATOM 0 HB2 LEU A 8 13.363 1.727 -4.807 1.00 0.00 H new ATOM 0 HB3 LEU A 8 13.169 0.053 -5.287 1.00 0.00 H new ATOM 0 HG LEU A 8 15.691 0.221 -5.978 1.00 0.00 H new ATOM 0 HD11 LEU A 8 16.980 1.763 -4.551 1.00 0.00 H new ATOM 0 HD12 LEU A 8 15.910 2.635 -5.674 1.00 0.00 H new ATOM 0 HD13 LEU A 8 15.460 2.476 -3.960 1.00 0.00 H new ATOM 0 HD21 LEU A 8 16.355 -0.455 -3.703 1.00 0.00 H new ATOM 0 HD22 LEU A 8 14.807 0.159 -3.076 1.00 0.00 H new ATOM 0 HD23 LEU A 8 14.827 -1.218 -4.203 1.00 0.00 H new ATOM 126 N SER A 9 11.176 0.877 -6.691 1.00 0.00 N ATOM 127 CA SER A 9 9.743 1.091 -6.855 1.00 0.00 C ATOM 128 C SER A 9 9.006 0.972 -5.527 1.00 0.00 C ATOM 129 O SER A 9 8.323 1.905 -5.103 1.00 0.00 O ATOM 130 CB SER A 9 9.174 0.087 -7.860 1.00 0.00 C ATOM 131 OG SER A 9 9.422 -1.245 -7.446 1.00 0.00 O ATOM 0 H SER A 9 11.423 0.016 -6.203 1.00 0.00 H new ATOM 0 HA SER A 9 9.597 2.103 -7.231 1.00 0.00 H new ATOM 0 HB2 SER A 9 8.101 0.244 -7.968 1.00 0.00 H new ATOM 0 HB3 SER A 9 9.621 0.256 -8.840 1.00 0.00 H new ATOM 0 HG SER A 9 9.047 -1.867 -8.104 1.00 0.00 H new ATOM 137 N PHE A 10 9.144 -0.178 -4.877 1.00 0.00 N ATOM 138 CA PHE A 10 8.481 -0.412 -3.600 1.00 0.00 C ATOM 139 C PHE A 10 8.902 0.628 -2.568 1.00 0.00 C ATOM 140 O PHE A 10 8.270 0.768 -1.522 1.00 0.00 O ATOM 141 CB PHE A 10 8.792 -1.815 -3.074 1.00 0.00 C ATOM 142 CG PHE A 10 8.825 -2.872 -4.140 1.00 0.00 C ATOM 143 CD1 PHE A 10 7.664 -3.519 -4.532 1.00 0.00 C ATOM 144 CD2 PHE A 10 10.021 -3.223 -4.746 1.00 0.00 C ATOM 145 CE1 PHE A 10 7.696 -4.494 -5.511 1.00 0.00 C ATOM 146 CE2 PHE A 10 10.058 -4.198 -5.724 1.00 0.00 C ATOM 147 CZ PHE A 10 8.894 -4.835 -6.106 1.00 0.00 C ATOM 0 H PHE A 10 9.707 -0.960 -5.212 1.00 0.00 H new ATOM 0 HA PHE A 10 7.407 -0.327 -3.766 1.00 0.00 H new ATOM 0 HB2 PHE A 10 9.756 -1.796 -2.565 1.00 0.00 H new ATOM 0 HB3 PHE A 10 8.044 -2.087 -2.330 1.00 0.00 H new ATOM 0 HD1 PHE A 10 6.724 -3.259 -4.068 1.00 0.00 H new ATOM 0 HD2 PHE A 10 10.935 -2.729 -4.450 1.00 0.00 H new ATOM 0 HE1 PHE A 10 6.784 -4.989 -5.810 1.00 0.00 H new ATOM 0 HE2 PHE A 10 10.996 -4.462 -6.189 1.00 0.00 H new ATOM 0 HZ PHE A 10 8.921 -5.599 -6.869 1.00 0.00 H new ATOM 157 N ALA A 11 9.972 1.358 -2.871 1.00 0.00 N ATOM 158 CA ALA A 11 10.465 2.377 -1.956 1.00 0.00 C ATOM 159 C ALA A 11 11.185 3.513 -2.674 1.00 0.00 C ATOM 160 O ALA A 11 11.667 3.378 -3.799 1.00 0.00 O ATOM 161 CB ALA A 11 11.401 1.743 -0.939 1.00 0.00 C ATOM 0 H ALA A 11 10.508 1.263 -3.734 1.00 0.00 H new ATOM 0 HA ALA A 11 9.597 2.808 -1.457 1.00 0.00 H new ATOM 0 HB1 ALA A 11 11.768 2.509 -0.256 1.00 0.00 H new ATOM 0 HB2 ALA A 11 10.863 0.981 -0.375 1.00 0.00 H new ATOM 0 HB3 ALA A 11 12.244 1.284 -1.456 1.00 0.00 H new ATOM 167 N ALA A 12 11.231 4.636 -1.966 1.00 0.00 N ATOM 168 CA ALA A 12 11.931 5.820 -2.446 1.00 0.00 C ATOM 169 C ALA A 12 12.814 6.386 -1.336 1.00 0.00 C ATOM 170 O ALA A 12 12.700 5.967 -0.189 1.00 0.00 O ATOM 171 CB ALA A 12 10.938 6.864 -2.935 1.00 0.00 C ATOM 0 H ALA A 12 10.789 4.751 -1.054 1.00 0.00 H new ATOM 0 HA ALA A 12 12.566 5.541 -3.287 1.00 0.00 H new ATOM 0 HB1 ALA A 12 11.478 7.742 -3.290 1.00 0.00 H new ATOM 0 HB2 ALA A 12 10.345 6.449 -3.750 1.00 0.00 H new ATOM 0 HB3 ALA A 12 10.278 7.151 -2.116 1.00 0.00 H new ATOM 177 N PRO A 13 13.696 7.352 -1.644 1.00 0.00 N ATOM 178 CA PRO A 13 14.591 7.936 -0.638 1.00 0.00 C ATOM 179 C PRO A 13 13.832 8.717 0.430 1.00 0.00 C ATOM 180 O PRO A 13 12.801 9.330 0.154 1.00 0.00 O ATOM 181 CB PRO A 13 15.497 8.866 -1.450 1.00 0.00 C ATOM 182 CG PRO A 13 14.729 9.172 -2.691 1.00 0.00 C ATOM 183 CD PRO A 13 13.880 7.964 -2.973 1.00 0.00 C ATOM 0 HA PRO A 13 15.139 7.169 -0.090 1.00 0.00 H new ATOM 0 HB2 PRO A 13 15.727 9.775 -0.895 1.00 0.00 H new ATOM 0 HB3 PRO A 13 16.447 8.386 -1.683 1.00 0.00 H new ATOM 0 HG2 PRO A 13 14.110 10.059 -2.556 1.00 0.00 H new ATOM 0 HG3 PRO A 13 15.402 9.377 -3.524 1.00 0.00 H new ATOM 0 HD2 PRO A 13 12.926 8.240 -3.423 1.00 0.00 H new ATOM 0 HD3 PRO A 13 14.372 7.280 -3.665 1.00 0.00 H new ATOM 191 N MET A 14 14.356 8.689 1.655 1.00 0.00 N ATOM 192 CA MET A 14 13.723 9.398 2.763 1.00 0.00 C ATOM 193 C MET A 14 14.739 9.771 3.837 1.00 0.00 C ATOM 194 O MET A 14 14.517 10.697 4.618 1.00 0.00 O ATOM 195 CB MET A 14 12.606 8.543 3.368 1.00 0.00 C ATOM 196 CG MET A 14 11.915 9.189 4.559 1.00 0.00 C ATOM 197 SD MET A 14 11.241 10.819 4.178 1.00 0.00 S ATOM 198 CE MET A 14 10.049 10.407 2.906 1.00 0.00 C ATOM 0 H MET A 14 15.209 8.188 1.903 1.00 0.00 H new ATOM 0 HA MET A 14 13.295 10.320 2.370 1.00 0.00 H new ATOM 0 HB2 MET A 14 11.863 8.335 2.598 1.00 0.00 H new ATOM 0 HB3 MET A 14 13.022 7.584 3.677 1.00 0.00 H new ATOM 0 HG2 MET A 14 11.110 8.539 4.902 1.00 0.00 H new ATOM 0 HG3 MET A 14 12.625 9.278 5.381 1.00 0.00 H new ATOM 0 HE1 MET A 14 9.439 11.282 2.682 1.00 0.00 H new ATOM 0 HE2 MET A 14 10.574 10.090 2.005 1.00 0.00 H new ATOM 0 HE3 MET A 14 9.408 9.598 3.256 1.00 0.00 H new ATOM 208 N ASP A 15 15.854 9.055 3.873 1.00 0.00 N ATOM 209 CA ASP A 15 16.891 9.318 4.863 1.00 0.00 C ATOM 210 C ASP A 15 18.247 8.831 4.373 1.00 0.00 C ATOM 211 O ASP A 15 18.674 7.719 4.690 1.00 0.00 O ATOM 212 CB ASP A 15 16.543 8.647 6.190 1.00 0.00 C ATOM 213 CG ASP A 15 17.402 9.147 7.334 1.00 0.00 C ATOM 214 OD1 ASP A 15 18.495 8.583 7.548 1.00 0.00 O ATOM 215 OD2 ASP A 15 16.981 10.105 8.018 1.00 0.00 O ATOM 0 H ASP A 15 16.064 8.290 3.231 1.00 0.00 H new ATOM 0 HA ASP A 15 16.946 10.396 5.015 1.00 0.00 H new ATOM 0 HB2 ASP A 15 15.493 8.828 6.421 1.00 0.00 H new ATOM 0 HB3 ASP A 15 16.666 7.568 6.092 1.00 0.00 H new ATOM 220 N ILE A 16 18.914 9.670 3.594 1.00 0.00 N ATOM 221 CA ILE A 16 20.212 9.348 3.052 1.00 0.00 C ATOM 222 C ILE A 16 20.840 10.562 2.392 1.00 0.00 C ATOM 223 O ILE A 16 20.522 10.895 1.253 1.00 0.00 O ATOM 224 CB ILE A 16 20.114 8.217 2.021 1.00 0.00 C ATOM 225 CG1 ILE A 16 21.434 8.058 1.271 1.00 0.00 C ATOM 226 CG2 ILE A 16 18.966 8.468 1.058 1.00 0.00 C ATOM 227 CD1 ILE A 16 22.577 7.597 2.149 1.00 0.00 C ATOM 0 H ILE A 16 18.565 10.590 3.324 1.00 0.00 H new ATOM 0 HA ILE A 16 20.837 9.023 3.884 1.00 0.00 H new ATOM 0 HB ILE A 16 19.912 7.285 2.549 1.00 0.00 H new ATOM 0 HG12 ILE A 16 21.298 7.342 0.460 1.00 0.00 H new ATOM 0 HG13 ILE A 16 21.700 9.011 0.814 1.00 0.00 H new ATOM 0 HG21 ILE A 16 18.913 7.654 0.335 1.00 0.00 H new ATOM 0 HG22 ILE A 16 18.030 8.520 1.614 1.00 0.00 H new ATOM 0 HG23 ILE A 16 19.130 9.410 0.534 1.00 0.00 H new ATOM 0 HD11 ILE A 16 23.483 7.506 1.549 1.00 0.00 H new ATOM 0 HD12 ILE A 16 22.740 8.324 2.945 1.00 0.00 H new ATOM 0 HD13 ILE A 16 22.332 6.629 2.586 1.00 0.00 H new ATOM 239 N THR A 17 21.712 11.235 3.119 1.00 0.00 N ATOM 240 CA THR A 17 22.390 12.396 2.573 1.00 0.00 C ATOM 241 C THR A 17 23.049 12.023 1.257 1.00 0.00 C ATOM 242 O THR A 17 23.961 11.197 1.222 1.00 0.00 O ATOM 243 CB THR A 17 23.456 12.951 3.530 1.00 0.00 C ATOM 244 OG1 THR A 17 24.350 11.905 3.930 1.00 0.00 O ATOM 245 CG2 THR A 17 22.812 13.576 4.758 1.00 0.00 C ATOM 0 H THR A 17 21.966 11.001 4.079 1.00 0.00 H new ATOM 0 HA THR A 17 21.640 13.173 2.423 1.00 0.00 H new ATOM 0 HB THR A 17 24.016 13.724 3.003 1.00 0.00 H new ATOM 0 HG1 THR A 17 24.498 11.296 3.177 1.00 0.00 H new ATOM 0 HG21 THR A 17 23.588 13.961 5.419 1.00 0.00 H new ATOM 0 HG22 THR A 17 22.159 14.393 4.450 1.00 0.00 H new ATOM 0 HG23 THR A 17 22.227 12.823 5.285 1.00 0.00 H new ATOM 253 N LEU A 18 22.579 12.626 0.175 1.00 0.00 N ATOM 254 CA LEU A 18 23.110 12.338 -1.140 1.00 0.00 C ATOM 255 C LEU A 18 24.463 13.010 -1.347 1.00 0.00 C ATOM 256 O LEU A 18 24.818 13.389 -2.463 1.00 0.00 O ATOM 257 CB LEU A 18 22.128 12.805 -2.214 1.00 0.00 C ATOM 258 CG LEU A 18 21.111 11.758 -2.675 1.00 0.00 C ATOM 259 CD1 LEU A 18 21.819 10.485 -3.115 1.00 0.00 C ATOM 260 CD2 LEU A 18 20.112 11.461 -1.571 1.00 0.00 C ATOM 0 H LEU A 18 21.830 13.318 0.187 1.00 0.00 H new ATOM 0 HA LEU A 18 23.249 11.260 -1.220 1.00 0.00 H new ATOM 0 HB2 LEU A 18 21.586 13.671 -1.834 1.00 0.00 H new ATOM 0 HB3 LEU A 18 22.697 13.140 -3.081 1.00 0.00 H new ATOM 0 HG LEU A 18 20.566 12.160 -3.529 1.00 0.00 H new ATOM 0 HD11 LEU A 18 21.081 9.752 -3.439 1.00 0.00 H new ATOM 0 HD12 LEU A 18 22.494 10.711 -3.941 1.00 0.00 H new ATOM 0 HD13 LEU A 18 22.391 10.079 -2.280 1.00 0.00 H new ATOM 0 HD21 LEU A 18 19.397 10.715 -1.918 1.00 0.00 H new ATOM 0 HD22 LEU A 18 20.639 11.080 -0.696 1.00 0.00 H new ATOM 0 HD23 LEU A 18 19.581 12.375 -1.305 1.00 0.00 H new ATOM 272 N THR A 19 25.215 13.142 -0.266 1.00 0.00 N ATOM 273 CA THR A 19 26.526 13.775 -0.312 1.00 0.00 C ATOM 274 C THR A 19 27.621 12.749 -0.576 1.00 0.00 C ATOM 275 O THR A 19 28.719 13.095 -1.012 1.00 0.00 O ATOM 276 CB THR A 19 26.830 14.512 1.003 1.00 0.00 C ATOM 277 OG1 THR A 19 26.998 13.566 2.067 1.00 0.00 O ATOM 278 CG2 THR A 19 25.704 15.475 1.351 1.00 0.00 C ATOM 0 H THR A 19 24.939 12.817 0.661 1.00 0.00 H new ATOM 0 HA THR A 19 26.507 14.496 -1.130 1.00 0.00 H new ATOM 0 HB THR A 19 27.751 15.080 0.873 1.00 0.00 H new ATOM 0 HG1 THR A 19 27.193 14.043 2.901 1.00 0.00 H new ATOM 0 HG21 THR A 19 25.938 15.987 2.285 1.00 0.00 H new ATOM 0 HG22 THR A 19 25.593 16.209 0.553 1.00 0.00 H new ATOM 0 HG23 THR A 19 24.773 14.920 1.465 1.00 0.00 H new ATOM 286 N GLU A 20 27.314 11.485 -0.306 1.00 0.00 N ATOM 287 CA GLU A 20 28.270 10.405 -0.511 1.00 0.00 C ATOM 288 C GLU A 20 27.956 9.638 -1.792 1.00 0.00 C ATOM 289 O GLU A 20 26.810 9.260 -2.035 1.00 0.00 O ATOM 290 CB GLU A 20 28.254 9.448 0.682 1.00 0.00 C ATOM 291 CG GLU A 20 28.530 10.129 2.012 1.00 0.00 C ATOM 292 CD GLU A 20 28.448 9.171 3.184 1.00 0.00 C ATOM 293 OE1 GLU A 20 27.326 8.934 3.680 1.00 0.00 O ATOM 294 OE2 GLU A 20 29.506 8.656 3.605 1.00 0.00 O ATOM 0 H GLU A 20 26.409 11.184 0.056 1.00 0.00 H new ATOM 0 HA GLU A 20 29.263 10.845 -0.603 1.00 0.00 H new ATOM 0 HB2 GLU A 20 27.282 8.956 0.730 1.00 0.00 H new ATOM 0 HB3 GLU A 20 28.998 8.668 0.521 1.00 0.00 H new ATOM 0 HG2 GLU A 20 29.521 10.582 1.986 1.00 0.00 H new ATOM 0 HG3 GLU A 20 27.814 10.938 2.158 1.00 0.00 H new ATOM 301 N THR A 21 28.981 9.413 -2.606 1.00 0.00 N ATOM 302 CA THR A 21 28.817 8.684 -3.858 1.00 0.00 C ATOM 303 C THR A 21 28.894 7.182 -3.624 1.00 0.00 C ATOM 304 O THR A 21 28.359 6.391 -4.400 1.00 0.00 O ATOM 305 CB THR A 21 29.891 9.081 -4.884 1.00 0.00 C ATOM 306 OG1 THR A 21 30.938 9.816 -4.240 1.00 0.00 O ATOM 307 CG2 THR A 21 29.290 9.911 -6.006 1.00 0.00 C ATOM 0 H THR A 21 29.934 9.725 -2.421 1.00 0.00 H new ATOM 0 HA THR A 21 27.835 8.945 -4.252 1.00 0.00 H new ATOM 0 HB THR A 21 30.304 8.169 -5.315 1.00 0.00 H new ATOM 0 HG1 THR A 21 31.618 10.063 -4.901 1.00 0.00 H new ATOM 0 HG21 THR A 21 30.070 10.179 -6.718 1.00 0.00 H new ATOM 0 HG22 THR A 21 28.518 9.332 -6.514 1.00 0.00 H new ATOM 0 HG23 THR A 21 28.850 10.818 -5.592 1.00 0.00 H new ATOM 315 N ARG A 22 29.565 6.800 -2.545 1.00 0.00 N ATOM 316 CA ARG A 22 29.722 5.396 -2.190 1.00 0.00 C ATOM 317 C ARG A 22 29.156 5.138 -0.798 1.00 0.00 C ATOM 318 O ARG A 22 28.938 6.077 -0.031 1.00 0.00 O ATOM 319 CB ARG A 22 31.193 4.999 -2.230 1.00 0.00 C ATOM 320 CG ARG A 22 31.868 5.274 -3.564 1.00 0.00 C ATOM 321 CD ARG A 22 33.333 4.870 -3.537 1.00 0.00 C ATOM 322 NE ARG A 22 33.989 5.090 -4.823 1.00 0.00 N ATOM 323 CZ ARG A 22 35.256 4.773 -5.069 1.00 0.00 C ATOM 324 NH1 ARG A 22 36.002 4.223 -4.119 1.00 0.00 N ATOM 325 NH2 ARG A 22 35.780 5.006 -6.264 1.00 0.00 N ATOM 0 H ARG A 22 30.012 7.448 -1.897 1.00 0.00 H new ATOM 0 HA ARG A 22 29.174 4.794 -2.915 1.00 0.00 H new ATOM 0 HB2 ARG A 22 31.726 5.537 -1.446 1.00 0.00 H new ATOM 0 HB3 ARG A 22 31.279 3.937 -2.002 1.00 0.00 H new ATOM 0 HG2 ARG A 22 31.353 4.728 -4.354 1.00 0.00 H new ATOM 0 HG3 ARG A 22 31.786 6.334 -3.804 1.00 0.00 H new ATOM 0 HD2 ARG A 22 33.851 5.439 -2.765 1.00 0.00 H new ATOM 0 HD3 ARG A 22 33.413 3.817 -3.265 1.00 0.00 H new ATOM 0 HE ARG A 22 33.444 5.511 -5.575 1.00 0.00 H new ATOM 0 HH11 ARG A 22 35.603 4.043 -3.198 1.00 0.00 H new ATOM 0 HH12 ARG A 22 36.974 3.981 -4.310 1.00 0.00 H new ATOM 0 HH21 ARG A 22 35.211 5.429 -6.997 1.00 0.00 H new ATOM 0 HH22 ARG A 22 36.753 4.762 -6.451 1.00 0.00 H new ATOM 339 N PHE A 23 28.918 3.870 -0.468 1.00 0.00 N ATOM 340 CA PHE A 23 28.369 3.491 0.833 1.00 0.00 C ATOM 341 C PHE A 23 28.925 2.131 1.251 1.00 0.00 C ATOM 342 O PHE A 23 28.623 1.113 0.630 1.00 0.00 O ATOM 343 CB PHE A 23 26.839 3.439 0.769 1.00 0.00 C ATOM 344 CG PHE A 23 26.228 4.597 0.034 1.00 0.00 C ATOM 345 CD1 PHE A 23 26.246 4.636 -1.350 1.00 0.00 C ATOM 346 CD2 PHE A 23 25.652 5.650 0.722 1.00 0.00 C ATOM 347 CE1 PHE A 23 25.704 5.702 -2.035 1.00 0.00 C ATOM 348 CE2 PHE A 23 25.106 6.723 0.043 1.00 0.00 C ATOM 349 CZ PHE A 23 25.133 6.749 -1.338 1.00 0.00 C ATOM 0 H PHE A 23 29.099 3.082 -1.089 1.00 0.00 H new ATOM 0 HA PHE A 23 28.660 4.238 1.572 1.00 0.00 H new ATOM 0 HB2 PHE A 23 26.535 2.511 0.284 1.00 0.00 H new ATOM 0 HB3 PHE A 23 26.442 3.413 1.784 1.00 0.00 H new ATOM 0 HD1 PHE A 23 26.691 3.820 -1.900 1.00 0.00 H new ATOM 0 HD2 PHE A 23 25.629 5.633 1.802 1.00 0.00 H new ATOM 0 HE1 PHE A 23 25.726 5.719 -3.115 1.00 0.00 H new ATOM 0 HE2 PHE A 23 24.659 7.539 0.591 1.00 0.00 H new ATOM 0 HZ PHE A 23 24.708 7.586 -1.872 1.00 0.00 H new ATOM 359 N LYS A 24 29.743 2.126 2.301 1.00 0.00 N ATOM 360 CA LYS A 24 30.375 0.896 2.784 1.00 0.00 C ATOM 361 C LYS A 24 29.367 -0.229 2.997 1.00 0.00 C ATOM 362 O LYS A 24 28.157 -0.005 3.006 1.00 0.00 O ATOM 363 CB LYS A 24 31.133 1.159 4.084 1.00 0.00 C ATOM 364 CG LYS A 24 32.005 2.403 4.040 1.00 0.00 C ATOM 365 CD LYS A 24 32.864 2.529 5.287 1.00 0.00 C ATOM 366 CE LYS A 24 33.626 3.845 5.308 1.00 0.00 C ATOM 367 NZ LYS A 24 32.711 5.017 5.387 1.00 0.00 N ATOM 0 H LYS A 24 29.985 2.960 2.836 1.00 0.00 H new ATOM 0 HA LYS A 24 31.073 0.575 2.011 1.00 0.00 H new ATOM 0 HB2 LYS A 24 30.416 1.257 4.899 1.00 0.00 H new ATOM 0 HB3 LYS A 24 31.758 0.295 4.311 1.00 0.00 H new ATOM 0 HG2 LYS A 24 32.645 2.368 3.159 1.00 0.00 H new ATOM 0 HG3 LYS A 24 31.374 3.287 3.941 1.00 0.00 H new ATOM 0 HD2 LYS A 24 32.233 2.458 6.173 1.00 0.00 H new ATOM 0 HD3 LYS A 24 33.569 1.699 5.330 1.00 0.00 H new ATOM 0 HE2 LYS A 24 34.305 3.857 6.160 1.00 0.00 H new ATOM 0 HE3 LYS A 24 34.239 3.923 4.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 33.247 5.857 5.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 32.288 5.191 4.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 31.958 4.824 6.078 1.00 0.00 H new ATOM 381 N THR A 25 29.884 -1.442 3.176 1.00 0.00 N ATOM 382 CA THR A 25 29.050 -2.615 3.379 1.00 0.00 C ATOM 383 C THR A 25 28.323 -2.577 4.715 1.00 0.00 C ATOM 384 O THR A 25 27.479 -3.428 4.996 1.00 0.00 O ATOM 385 CB THR A 25 29.875 -3.902 3.322 1.00 0.00 C ATOM 386 OG1 THR A 25 31.197 -3.664 3.820 1.00 0.00 O ATOM 387 CG2 THR A 25 29.943 -4.459 1.904 1.00 0.00 C ATOM 0 H THR A 25 30.886 -1.635 3.184 1.00 0.00 H new ATOM 0 HA THR A 25 28.318 -2.604 2.571 1.00 0.00 H new ATOM 0 HB THR A 25 29.381 -4.643 3.951 1.00 0.00 H new ATOM 0 HG1 THR A 25 31.716 -4.494 3.781 1.00 0.00 H new ATOM 0 HG21 THR A 25 30.537 -5.373 1.900 1.00 0.00 H new ATOM 0 HG22 THR A 25 28.936 -4.679 1.551 1.00 0.00 H new ATOM 0 HG23 THR A 25 30.405 -3.723 1.246 1.00 0.00 H new ATOM 395 N GLY A 26 28.653 -1.594 5.534 1.00 0.00 N ATOM 396 CA GLY A 26 28.023 -1.477 6.834 1.00 0.00 C ATOM 397 C GLY A 26 26.912 -0.457 6.825 1.00 0.00 C ATOM 398 O GLY A 26 26.099 -0.395 7.748 1.00 0.00 O ATOM 0 H GLY A 26 29.345 -0.874 5.325 1.00 0.00 H new ATOM 0 HA2 GLY A 26 27.625 -2.446 7.134 1.00 0.00 H new ATOM 0 HA3 GLY A 26 28.770 -1.195 7.576 1.00 0.00 H new ATOM 402 N THR A 27 26.884 0.348 5.772 1.00 0.00 N ATOM 403 CA THR A 27 25.881 1.393 5.613 1.00 0.00 C ATOM 404 C THR A 27 24.473 0.812 5.551 1.00 0.00 C ATOM 405 O THR A 27 24.292 -0.390 5.356 1.00 0.00 O ATOM 406 CB THR A 27 26.135 2.216 4.337 1.00 0.00 C ATOM 407 OG1 THR A 27 25.535 3.511 4.461 1.00 0.00 O ATOM 408 CG2 THR A 27 25.565 1.510 3.116 1.00 0.00 C ATOM 0 H THR A 27 27.554 0.296 5.005 1.00 0.00 H new ATOM 0 HA THR A 27 25.962 2.040 6.486 1.00 0.00 H new ATOM 0 HB THR A 27 27.212 2.322 4.210 1.00 0.00 H new ATOM 0 HG1 THR A 27 25.952 4.127 3.823 1.00 0.00 H new ATOM 0 HG21 THR A 27 25.756 2.110 2.226 1.00 0.00 H new ATOM 0 HG22 THR A 27 26.039 0.535 3.005 1.00 0.00 H new ATOM 0 HG23 THR A 27 24.490 1.378 3.241 1.00 0.00 H new ATOM 416 N THR A 28 23.480 1.680 5.712 1.00 0.00 N ATOM 417 CA THR A 28 22.084 1.269 5.662 1.00 0.00 C ATOM 418 C THR A 28 21.176 2.472 5.432 1.00 0.00 C ATOM 419 O THR A 28 21.182 3.425 6.211 1.00 0.00 O ATOM 420 CB THR A 28 21.652 0.547 6.955 1.00 0.00 C ATOM 421 OG1 THR A 28 22.452 -0.624 7.157 1.00 0.00 O ATOM 422 CG2 THR A 28 20.183 0.154 6.894 1.00 0.00 C ATOM 0 H THR A 28 23.618 2.677 5.879 1.00 0.00 H new ATOM 0 HA THR A 28 21.988 0.573 4.829 1.00 0.00 H new ATOM 0 HB THR A 28 21.795 1.234 7.789 1.00 0.00 H new ATOM 0 HG1 THR A 28 22.926 -0.843 6.328 1.00 0.00 H new ATOM 0 HG21 THR A 28 19.903 -0.353 7.817 1.00 0.00 H new ATOM 0 HG22 THR A 28 19.572 1.048 6.772 1.00 0.00 H new ATOM 0 HG23 THR A 28 20.020 -0.515 6.049 1.00 0.00 H new ATOM 430 N LEU A 29 20.396 2.420 4.358 1.00 0.00 N ATOM 431 CA LEU A 29 19.494 3.514 4.017 1.00 0.00 C ATOM 432 C LEU A 29 18.138 3.326 4.693 1.00 0.00 C ATOM 433 O LEU A 29 17.959 2.408 5.492 1.00 0.00 O ATOM 434 CB LEU A 29 19.323 3.617 2.499 1.00 0.00 C ATOM 435 CG LEU A 29 20.625 3.797 1.712 1.00 0.00 C ATOM 436 CD1 LEU A 29 21.342 2.465 1.554 1.00 0.00 C ATOM 437 CD2 LEU A 29 20.349 4.413 0.348 1.00 0.00 C ATOM 0 H LEU A 29 20.370 1.633 3.709 1.00 0.00 H new ATOM 0 HA LEU A 29 19.934 4.443 4.380 1.00 0.00 H new ATOM 0 HB2 LEU A 29 18.822 2.717 2.143 1.00 0.00 H new ATOM 0 HB3 LEU A 29 18.664 4.457 2.279 1.00 0.00 H new ATOM 0 HG LEU A 29 21.270 4.475 2.272 1.00 0.00 H new ATOM 0 HD11 LEU A 29 22.264 2.613 0.992 1.00 0.00 H new ATOM 0 HD12 LEU A 29 21.577 2.059 2.538 1.00 0.00 H new ATOM 0 HD13 LEU A 29 20.699 1.767 1.018 1.00 0.00 H new ATOM 0 HD21 LEU A 29 21.287 4.532 -0.194 1.00 0.00 H new ATOM 0 HD22 LEU A 29 19.683 3.761 -0.218 1.00 0.00 H new ATOM 0 HD23 LEU A 29 19.879 5.388 0.477 1.00 0.00 H new ATOM 449 N LYS A 30 17.184 4.200 4.376 1.00 0.00 N ATOM 450 CA LYS A 30 15.851 4.114 4.967 1.00 0.00 C ATOM 451 C LYS A 30 14.822 3.658 3.937 1.00 0.00 C ATOM 452 O LYS A 30 14.393 2.504 3.944 1.00 0.00 O ATOM 453 CB LYS A 30 15.435 5.467 5.553 1.00 0.00 C ATOM 454 CG LYS A 30 14.490 5.355 6.741 1.00 0.00 C ATOM 455 CD LYS A 30 13.168 4.712 6.353 1.00 0.00 C ATOM 456 CE LYS A 30 12.264 4.516 7.559 1.00 0.00 C ATOM 457 NZ LYS A 30 12.908 3.678 8.607 1.00 0.00 N ATOM 0 H LYS A 30 17.308 4.970 3.718 1.00 0.00 H new ATOM 0 HA LYS A 30 15.889 3.375 5.768 1.00 0.00 H new ATOM 0 HB2 LYS A 30 16.329 6.010 5.861 1.00 0.00 H new ATOM 0 HB3 LYS A 30 14.956 6.059 4.773 1.00 0.00 H new ATOM 0 HG2 LYS A 30 14.963 4.767 7.527 1.00 0.00 H new ATOM 0 HG3 LYS A 30 14.305 6.347 7.153 1.00 0.00 H new ATOM 0 HD2 LYS A 30 12.662 5.336 5.616 1.00 0.00 H new ATOM 0 HD3 LYS A 30 13.357 3.749 5.879 1.00 0.00 H new ATOM 0 HE2 LYS A 30 12.005 5.488 7.980 1.00 0.00 H new ATOM 0 HE3 LYS A 30 11.332 4.047 7.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 12.181 3.316 9.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 13.401 2.879 8.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 13.592 4.253 9.139 1.00 0.00 H new ATOM 471 N TYR A 31 14.430 4.583 3.064 1.00 0.00 N ATOM 472 CA TYR A 31 13.456 4.306 2.012 1.00 0.00 C ATOM 473 C TYR A 31 12.036 4.184 2.560 1.00 0.00 C ATOM 474 O TYR A 31 11.778 3.439 3.505 1.00 0.00 O ATOM 475 CB TYR A 31 13.827 3.037 1.239 1.00 0.00 C ATOM 476 CG TYR A 31 14.943 3.242 0.243 1.00 0.00 C ATOM 477 CD1 TYR A 31 14.670 3.659 -1.054 1.00 0.00 C ATOM 478 CD2 TYR A 31 16.267 3.021 0.598 1.00 0.00 C ATOM 479 CE1 TYR A 31 15.686 3.848 -1.970 1.00 0.00 C ATOM 480 CE2 TYR A 31 17.288 3.209 -0.313 1.00 0.00 C ATOM 481 CZ TYR A 31 16.993 3.623 -1.595 1.00 0.00 C ATOM 482 OH TYR A 31 18.008 3.810 -2.505 1.00 0.00 O ATOM 0 H TYR A 31 14.777 5.542 3.066 1.00 0.00 H new ATOM 0 HA TYR A 31 13.480 5.157 1.332 1.00 0.00 H new ATOM 0 HB2 TYR A 31 14.121 2.263 1.948 1.00 0.00 H new ATOM 0 HB3 TYR A 31 12.945 2.670 0.714 1.00 0.00 H new ATOM 0 HD1 TYR A 31 13.647 3.838 -1.350 1.00 0.00 H new ATOM 0 HD2 TYR A 31 16.502 2.697 1.601 1.00 0.00 H new ATOM 0 HE1 TYR A 31 15.458 4.170 -2.975 1.00 0.00 H new ATOM 0 HE2 TYR A 31 18.313 3.033 -0.023 1.00 0.00 H new ATOM 0 HH TYR A 31 18.705 4.373 -2.107 1.00 0.00 H new ATOM 492 N THR A 32 11.125 4.933 1.945 1.00 0.00 N ATOM 493 CA THR A 32 9.717 4.919 2.328 1.00 0.00 C ATOM 494 C THR A 32 8.890 4.245 1.238 1.00 0.00 C ATOM 495 O THR A 32 9.365 4.070 0.119 1.00 0.00 O ATOM 496 CB THR A 32 9.189 6.345 2.575 1.00 0.00 C ATOM 497 OG1 THR A 32 7.757 6.349 2.573 1.00 0.00 O ATOM 498 CG2 THR A 32 9.711 7.305 1.518 1.00 0.00 C ATOM 0 H THR A 32 11.340 5.563 1.172 1.00 0.00 H new ATOM 0 HA THR A 32 9.626 4.357 3.258 1.00 0.00 H new ATOM 0 HB THR A 32 9.546 6.677 3.550 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.432 7.260 2.733 1.00 0.00 H new ATOM 0 HG21 THR A 32 9.325 8.306 1.713 1.00 0.00 H new ATOM 0 HG22 THR A 32 10.800 7.324 1.550 1.00 0.00 H new ATOM 0 HG23 THR A 32 9.382 6.975 0.533 1.00 0.00 H new ATOM 506 N CYS A 33 7.652 3.873 1.553 1.00 0.00 N ATOM 507 CA CYS A 33 6.806 3.194 0.575 1.00 0.00 C ATOM 508 C CYS A 33 5.575 4.014 0.189 1.00 0.00 C ATOM 509 O CYS A 33 4.795 4.462 1.030 1.00 0.00 O ATOM 510 CB CYS A 33 6.367 1.834 1.117 1.00 0.00 C ATOM 511 SG CYS A 33 7.748 0.736 1.570 1.00 0.00 S ATOM 0 H CYS A 33 7.217 4.027 2.463 1.00 0.00 H new ATOM 0 HA CYS A 33 7.405 3.064 -0.326 1.00 0.00 H new ATOM 0 HB2 CYS A 33 5.738 1.990 1.993 1.00 0.00 H new ATOM 0 HB3 CYS A 33 5.752 1.337 0.367 1.00 0.00 H new ATOM 516 N LEU A 34 5.454 4.189 -1.128 1.00 0.00 N ATOM 517 CA LEU A 34 4.375 4.957 -1.741 1.00 0.00 C ATOM 518 C LEU A 34 3.018 4.605 -1.130 1.00 0.00 C ATOM 519 O LEU A 34 2.824 3.499 -0.627 1.00 0.00 O ATOM 520 CB LEU A 34 4.357 4.712 -3.252 1.00 0.00 C ATOM 521 CG LEU A 34 5.720 4.842 -3.941 1.00 0.00 C ATOM 522 CD1 LEU A 34 5.617 4.454 -5.407 1.00 0.00 C ATOM 523 CD2 LEU A 34 6.259 6.258 -3.802 1.00 0.00 C ATOM 0 H LEU A 34 6.110 3.797 -1.803 1.00 0.00 H new ATOM 0 HA LEU A 34 4.559 6.014 -1.548 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.965 3.712 -3.439 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.665 5.417 -3.712 1.00 0.00 H new ATOM 0 HG LEU A 34 6.416 4.160 -3.452 1.00 0.00 H new ATOM 0 HD11 LEU A 34 6.595 4.553 -5.879 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.278 3.421 -5.487 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.904 5.110 -5.908 1.00 0.00 H new ATOM 0 HD21 LEU A 34 7.227 6.329 -4.298 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.563 6.959 -4.263 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.374 6.502 -2.746 1.00 0.00 H new ATOM 535 N PRO A 35 2.061 5.553 -1.169 1.00 0.00 N ATOM 536 CA PRO A 35 0.719 5.350 -0.614 1.00 0.00 C ATOM 537 C PRO A 35 0.030 4.123 -1.199 1.00 0.00 C ATOM 538 O PRO A 35 -0.372 4.118 -2.362 1.00 0.00 O ATOM 539 CB PRO A 35 -0.040 6.629 -1.000 1.00 0.00 C ATOM 540 CG PRO A 35 0.789 7.277 -2.057 1.00 0.00 C ATOM 541 CD PRO A 35 2.209 6.892 -1.763 1.00 0.00 C ATOM 0 HA PRO A 35 0.752 5.174 0.461 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -1.038 6.397 -1.371 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -0.165 7.287 -0.140 1.00 0.00 H new ATOM 0 HG2 PRO A 35 0.490 6.939 -3.049 1.00 0.00 H new ATOM 0 HG3 PRO A 35 0.667 8.360 -2.039 1.00 0.00 H new ATOM 0 HD2 PRO A 35 2.819 6.870 -2.666 1.00 0.00 H new ATOM 0 HD3 PRO A 35 2.684 7.591 -1.075 1.00 0.00 H new ATOM 549 N GLY A 36 -0.103 3.087 -0.378 1.00 0.00 N ATOM 550 CA GLY A 36 -0.736 1.858 -0.822 1.00 0.00 C ATOM 551 C GLY A 36 0.145 0.650 -0.572 1.00 0.00 C ATOM 552 O GLY A 36 -0.348 -0.432 -0.257 1.00 0.00 O ATOM 0 H GLY A 36 0.217 3.076 0.590 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -1.685 1.730 -0.302 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -0.962 1.929 -1.886 1.00 0.00 H new ATOM 556 N TYR A 37 1.452 0.847 -0.728 1.00 0.00 N ATOM 557 CA TYR A 37 2.393 -0.239 -0.496 1.00 0.00 C ATOM 558 C TYR A 37 2.199 -0.736 0.924 1.00 0.00 C ATOM 559 O TYR A 37 2.802 -0.200 1.855 1.00 0.00 O ATOM 560 CB TYR A 37 3.843 0.239 -0.664 1.00 0.00 C ATOM 561 CG TYR A 37 4.371 0.178 -2.080 1.00 0.00 C ATOM 562 CD1 TYR A 37 4.695 -1.038 -2.669 1.00 0.00 C ATOM 563 CD2 TYR A 37 4.550 1.338 -2.825 1.00 0.00 C ATOM 564 CE1 TYR A 37 5.180 -1.096 -3.962 1.00 0.00 C ATOM 565 CE2 TYR A 37 5.035 1.288 -4.118 1.00 0.00 C ATOM 566 CZ TYR A 37 5.348 0.068 -4.683 1.00 0.00 C ATOM 567 OH TYR A 37 5.830 0.014 -5.971 1.00 0.00 O ATOM 0 H TYR A 37 1.875 1.732 -1.009 1.00 0.00 H new ATOM 0 HA TYR A 37 2.209 -1.032 -1.221 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.915 1.267 -0.308 1.00 0.00 H new ATOM 0 HB3 TYR A 37 4.486 -0.366 -0.025 1.00 0.00 H new ATOM 0 HD1 TYR A 37 4.566 -1.952 -2.108 1.00 0.00 H new ATOM 0 HD2 TYR A 37 4.306 2.294 -2.386 1.00 0.00 H new ATOM 0 HE1 TYR A 37 5.427 -2.049 -4.406 1.00 0.00 H new ATOM 0 HE2 TYR A 37 5.168 2.198 -4.683 1.00 0.00 H new ATOM 0 HH TYR A 37 5.887 0.921 -6.337 1.00 0.00 H new ATOM 577 N VAL A 38 1.360 -1.748 1.113 1.00 0.00 N ATOM 578 CA VAL A 38 1.034 -2.326 2.403 1.00 0.00 C ATOM 579 C VAL A 38 2.194 -3.104 3.021 1.00 0.00 C ATOM 580 O VAL A 38 3.219 -3.302 2.384 1.00 0.00 O ATOM 581 CB VAL A 38 -0.209 -3.226 2.189 1.00 0.00 C ATOM 582 CG1 VAL A 38 -0.132 -4.544 2.931 1.00 0.00 C ATOM 583 CG2 VAL A 38 -1.478 -2.468 2.534 1.00 0.00 C ATOM 0 H VAL A 38 0.872 -2.202 0.341 1.00 0.00 H new ATOM 0 HA VAL A 38 0.825 -1.531 3.119 1.00 0.00 H new ATOM 0 HB VAL A 38 -0.230 -3.486 1.131 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -1.034 -5.124 2.737 1.00 0.00 H new ATOM 0 HG12 VAL A 38 0.739 -5.103 2.590 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.046 -4.355 4.001 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -2.342 -3.114 2.378 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -1.443 -2.155 3.577 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -1.562 -1.589 1.894 1.00 0.00 H new ATOM 593 N ARG A 39 2.039 -3.525 4.273 1.00 0.00 N ATOM 594 CA ARG A 39 3.091 -4.272 4.950 1.00 0.00 C ATOM 595 C ARG A 39 2.717 -5.741 5.122 1.00 0.00 C ATOM 596 O ARG A 39 1.584 -6.071 5.472 1.00 0.00 O ATOM 597 CB ARG A 39 3.396 -3.648 6.314 1.00 0.00 C ATOM 598 CG ARG A 39 2.191 -3.583 7.236 1.00 0.00 C ATOM 599 CD ARG A 39 2.581 -3.132 8.635 1.00 0.00 C ATOM 600 NE ARG A 39 1.440 -3.135 9.548 1.00 0.00 N ATOM 601 CZ ARG A 39 1.543 -2.940 10.859 1.00 0.00 C ATOM 602 NH1 ARG A 39 2.730 -2.725 11.409 1.00 0.00 N ATOM 603 NH2 ARG A 39 0.458 -2.960 11.619 1.00 0.00 N ATOM 0 H ARG A 39 1.203 -3.363 4.834 1.00 0.00 H new ATOM 0 HA ARG A 39 3.982 -4.223 4.324 1.00 0.00 H new ATOM 0 HB2 ARG A 39 4.184 -4.224 6.800 1.00 0.00 H new ATOM 0 HB3 ARG A 39 3.784 -2.640 6.165 1.00 0.00 H new ATOM 0 HG2 ARG A 39 1.453 -2.895 6.824 1.00 0.00 H new ATOM 0 HG3 ARG A 39 1.718 -4.564 7.288 1.00 0.00 H new ATOM 0 HD2 ARG A 39 3.359 -3.789 9.024 1.00 0.00 H new ATOM 0 HD3 ARG A 39 3.005 -2.129 8.588 1.00 0.00 H new ATOM 0 HE ARG A 39 0.512 -3.296 9.157 1.00 0.00 H new ATOM 0 HH11 ARG A 39 3.567 -2.709 10.826 1.00 0.00 H new ATOM 0 HH12 ARG A 39 2.806 -2.576 12.415 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -0.456 -3.125 11.198 1.00 0.00 H new ATOM 0 HH22 ARG A 39 0.537 -2.810 12.625 1.00 0.00 H new ATOM 617 N SER A 40 3.690 -6.614 4.873 1.00 0.00 N ATOM 618 CA SER A 40 3.495 -8.054 4.997 1.00 0.00 C ATOM 619 C SER A 40 4.809 -8.791 4.755 1.00 0.00 C ATOM 620 O SER A 40 4.896 -10.007 4.934 1.00 0.00 O ATOM 621 CB SER A 40 2.432 -8.539 4.008 1.00 0.00 C ATOM 622 OG SER A 40 2.196 -9.929 4.155 1.00 0.00 O ATOM 0 H SER A 40 4.630 -6.344 4.582 1.00 0.00 H new ATOM 0 HA SER A 40 3.153 -8.267 6.010 1.00 0.00 H new ATOM 0 HB2 SER A 40 1.504 -7.990 4.168 1.00 0.00 H new ATOM 0 HB3 SER A 40 2.755 -8.327 2.989 1.00 0.00 H new ATOM 0 HG SER A 40 2.987 -10.356 4.545 1.00 0.00 H new ATOM 628 N HIS A 41 5.830 -8.042 4.346 1.00 0.00 N ATOM 629 CA HIS A 41 7.147 -8.612 4.080 1.00 0.00 C ATOM 630 C HIS A 41 8.116 -8.309 5.219 1.00 0.00 C ATOM 631 O HIS A 41 7.705 -8.148 6.369 1.00 0.00 O ATOM 632 CB HIS A 41 7.704 -8.067 2.762 1.00 0.00 C ATOM 633 CG HIS A 41 7.184 -8.772 1.548 1.00 0.00 C ATOM 634 ND1 HIS A 41 6.310 -8.188 0.654 1.00 0.00 N ATOM 635 CD2 HIS A 41 7.429 -10.016 1.073 1.00 0.00 C ATOM 636 CE1 HIS A 41 6.042 -9.043 -0.317 1.00 0.00 C ATOM 637 NE2 HIS A 41 6.708 -10.158 -0.087 1.00 0.00 N ATOM 0 H HIS A 41 5.769 -7.036 4.191 1.00 0.00 H new ATOM 0 HA HIS A 41 7.037 -9.694 4.002 1.00 0.00 H new ATOM 0 HB2 HIS A 41 7.461 -7.007 2.687 1.00 0.00 H new ATOM 0 HB3 HIS A 41 8.791 -8.145 2.778 1.00 0.00 H new ATOM 0 HD2 HIS A 41 8.072 -10.758 1.523 1.00 0.00 H new ATOM 0 HE1 HIS A 41 5.388 -8.860 -1.157 1.00 0.00 H new ATOM 0 HE2 HIS A 41 6.690 -10.991 -0.676 1.00 0.00 H new ATOM 646 N SER A 42 9.404 -8.235 4.892 1.00 0.00 N ATOM 647 CA SER A 42 10.437 -7.960 5.887 1.00 0.00 C ATOM 648 C SER A 42 10.244 -6.596 6.539 1.00 0.00 C ATOM 649 O SER A 42 9.514 -6.463 7.521 1.00 0.00 O ATOM 650 CB SER A 42 11.825 -8.040 5.249 1.00 0.00 C ATOM 651 OG SER A 42 12.841 -7.793 6.205 1.00 0.00 O ATOM 0 H SER A 42 9.758 -8.362 3.944 1.00 0.00 H new ATOM 0 HA SER A 42 10.352 -8.719 6.665 1.00 0.00 H new ATOM 0 HB2 SER A 42 11.969 -9.026 4.807 1.00 0.00 H new ATOM 0 HB3 SER A 42 11.899 -7.314 4.439 1.00 0.00 H new ATOM 0 HG SER A 42 13.718 -7.852 5.772 1.00 0.00 H new ATOM 657 N THR A 43 10.903 -5.583 5.986 1.00 0.00 N ATOM 658 CA THR A 43 10.816 -4.230 6.527 1.00 0.00 C ATOM 659 C THR A 43 11.049 -3.172 5.448 1.00 0.00 C ATOM 660 O THR A 43 10.156 -2.884 4.653 1.00 0.00 O ATOM 661 CB THR A 43 11.838 -4.027 7.656 1.00 0.00 C ATOM 662 OG1 THR A 43 11.721 -5.080 8.621 1.00 0.00 O ATOM 663 CG2 THR A 43 11.639 -2.682 8.340 1.00 0.00 C ATOM 0 H THR A 43 11.502 -5.672 5.165 1.00 0.00 H new ATOM 0 HA THR A 43 9.806 -4.112 6.920 1.00 0.00 H new ATOM 0 HB THR A 43 12.835 -4.046 7.215 1.00 0.00 H new ATOM 0 HG1 THR A 43 12.377 -4.943 9.336 1.00 0.00 H new ATOM 0 HG21 THR A 43 12.376 -2.565 9.135 1.00 0.00 H new ATOM 0 HG22 THR A 43 11.762 -1.881 7.611 1.00 0.00 H new ATOM 0 HG23 THR A 43 10.636 -2.635 8.765 1.00 0.00 H new ATOM 671 N GLN A 44 12.255 -2.594 5.438 1.00 0.00 N ATOM 672 CA GLN A 44 12.618 -1.559 4.468 1.00 0.00 C ATOM 673 C GLN A 44 14.003 -0.987 4.763 1.00 0.00 C ATOM 674 O GLN A 44 14.155 -0.155 5.655 1.00 0.00 O ATOM 675 CB GLN A 44 11.582 -0.431 4.477 1.00 0.00 C ATOM 676 CG GLN A 44 11.231 0.064 5.871 1.00 0.00 C ATOM 677 CD GLN A 44 10.217 1.191 5.855 1.00 0.00 C ATOM 678 OE1 GLN A 44 10.705 2.425 5.819 1.00 0.00 O flip ATOM 679 NE2 GLN A 44 9.009 0.955 5.879 1.00 0.00 N flip ATOM 0 H GLN A 44 12.999 -2.828 6.095 1.00 0.00 H new ATOM 0 HA GLN A 44 12.638 -2.022 3.481 1.00 0.00 H new ATOM 0 HB2 GLN A 44 11.962 0.404 3.889 1.00 0.00 H new ATOM 0 HB3 GLN A 44 10.674 -0.780 3.985 1.00 0.00 H new ATOM 0 HG2 GLN A 44 10.836 -0.766 6.458 1.00 0.00 H new ATOM 0 HG3 GLN A 44 12.138 0.404 6.370 1.00 0.00 H new ATOM 0 HE21 GLN A 44 8.678 -0.009 5.906 1.00 0.00 H new ATOM 0 HE22 GLN A 44 8.339 1.724 5.872 1.00 0.00 H new ATOM 688 N THR A 45 15.007 -1.430 4.001 1.00 0.00 N ATOM 689 CA THR A 45 16.382 -0.961 4.183 1.00 0.00 C ATOM 690 C THR A 45 17.318 -1.537 3.120 1.00 0.00 C ATOM 691 O THR A 45 17.189 -2.694 2.723 1.00 0.00 O ATOM 692 CB THR A 45 16.932 -1.335 5.576 1.00 0.00 C ATOM 693 OG1 THR A 45 16.234 -2.474 6.090 1.00 0.00 O ATOM 694 CG2 THR A 45 16.813 -0.171 6.550 1.00 0.00 C ATOM 0 H THR A 45 14.892 -2.113 3.252 1.00 0.00 H new ATOM 0 HA THR A 45 16.348 0.124 4.087 1.00 0.00 H new ATOM 0 HB THR A 45 17.989 -1.577 5.465 1.00 0.00 H new ATOM 0 HG1 THR A 45 16.590 -2.705 6.973 1.00 0.00 H new ATOM 0 HG21 THR A 45 17.209 -0.467 7.521 1.00 0.00 H new ATOM 0 HG22 THR A 45 17.380 0.680 6.171 1.00 0.00 H new ATOM 0 HG23 THR A 45 15.765 0.109 6.656 1.00 0.00 H new ATOM 702 N LEU A 46 18.262 -0.713 2.667 1.00 0.00 N ATOM 703 CA LEU A 46 19.242 -1.123 1.660 1.00 0.00 C ATOM 704 C LEU A 46 20.619 -1.226 2.312 1.00 0.00 C ATOM 705 O LEU A 46 21.073 -0.285 2.962 1.00 0.00 O ATOM 706 CB LEU A 46 19.286 -0.123 0.497 1.00 0.00 C ATOM 707 CG LEU A 46 18.495 -0.531 -0.750 1.00 0.00 C ATOM 708 CD1 LEU A 46 17.014 -0.646 -0.427 1.00 0.00 C ATOM 709 CD2 LEU A 46 18.717 0.465 -1.879 1.00 0.00 C ATOM 0 H LEU A 46 18.370 0.250 2.984 1.00 0.00 H new ATOM 0 HA LEU A 46 18.949 -2.093 1.259 1.00 0.00 H new ATOM 0 HB2 LEU A 46 18.906 0.836 0.850 1.00 0.00 H new ATOM 0 HB3 LEU A 46 20.327 0.032 0.212 1.00 0.00 H new ATOM 0 HG LEU A 46 18.855 -1.506 -1.078 1.00 0.00 H new ATOM 0 HD11 LEU A 46 16.467 -0.937 -1.324 1.00 0.00 H new ATOM 0 HD12 LEU A 46 16.868 -1.399 0.347 1.00 0.00 H new ATOM 0 HD13 LEU A 46 16.643 0.316 -0.072 1.00 0.00 H new ATOM 0 HD21 LEU A 46 18.146 0.156 -2.754 1.00 0.00 H new ATOM 0 HD22 LEU A 46 18.387 1.454 -1.562 1.00 0.00 H new ATOM 0 HD23 LEU A 46 19.777 0.499 -2.131 1.00 0.00 H new ATOM 721 N THR A 47 21.285 -2.369 2.141 1.00 0.00 N ATOM 722 CA THR A 47 22.606 -2.566 2.730 1.00 0.00 C ATOM 723 C THR A 47 23.623 -3.000 1.688 1.00 0.00 C ATOM 724 O THR A 47 23.277 -3.684 0.724 1.00 0.00 O ATOM 725 CB THR A 47 22.577 -3.638 3.833 1.00 0.00 C ATOM 726 OG1 THR A 47 21.341 -3.567 4.555 1.00 0.00 O ATOM 727 CG2 THR A 47 23.741 -3.449 4.795 1.00 0.00 C ATOM 0 H THR A 47 20.935 -3.163 1.605 1.00 0.00 H new ATOM 0 HA THR A 47 22.895 -1.604 3.153 1.00 0.00 H new ATOM 0 HB THR A 47 22.666 -4.617 3.362 1.00 0.00 H new ATOM 0 HG1 THR A 47 21.330 -4.254 5.254 1.00 0.00 H new ATOM 0 HG21 THR A 47 23.703 -4.217 5.568 1.00 0.00 H new ATOM 0 HG22 THR A 47 24.681 -3.530 4.249 1.00 0.00 H new ATOM 0 HG23 THR A 47 23.674 -2.465 5.258 1.00 0.00 H new ATOM 735 N CYS A 48 24.879 -2.607 1.878 1.00 0.00 N ATOM 736 CA CYS A 48 25.923 -3.008 0.953 1.00 0.00 C ATOM 737 C CYS A 48 26.490 -4.333 1.438 1.00 0.00 C ATOM 738 O CYS A 48 26.986 -4.441 2.557 1.00 0.00 O ATOM 739 CB CYS A 48 27.019 -1.943 0.855 1.00 0.00 C ATOM 740 SG CYS A 48 28.089 -2.106 -0.608 1.00 0.00 S ATOM 0 H CYS A 48 25.191 -2.021 2.652 1.00 0.00 H new ATOM 0 HA CYS A 48 25.508 -3.121 -0.049 1.00 0.00 H new ATOM 0 HB2 CYS A 48 26.553 -0.958 0.842 1.00 0.00 H new ATOM 0 HB3 CYS A 48 27.638 -1.991 1.751 1.00 0.00 H new ATOM 745 N ASN A 49 26.390 -5.343 0.591 1.00 0.00 N ATOM 746 CA ASN A 49 26.943 -6.649 0.910 1.00 0.00 C ATOM 747 C ASN A 49 28.228 -6.860 0.121 1.00 0.00 C ATOM 748 O ASN A 49 28.577 -6.038 -0.727 1.00 0.00 O ATOM 749 CB ASN A 49 25.938 -7.758 0.590 1.00 0.00 C ATOM 750 CG ASN A 49 25.833 -8.048 -0.896 1.00 0.00 C ATOM 751 OD1 ASN A 49 26.041 -7.026 -1.720 1.00 0.00 O flip ATOM 752 ND2 ASN A 49 25.567 -9.179 -1.301 1.00 0.00 N flip ATOM 0 H ASN A 49 25.933 -5.285 -0.319 1.00 0.00 H new ATOM 0 HA ASN A 49 27.161 -6.689 1.977 1.00 0.00 H new ATOM 0 HB2 ASN A 49 26.230 -8.668 1.113 1.00 0.00 H new ATOM 0 HB3 ASN A 49 24.957 -7.473 0.970 1.00 0.00 H new ATOM 0 HD21 ASN A 49 25.414 -9.936 -0.635 1.00 0.00 H new ATOM 0 HD22 ASN A 49 25.499 -9.359 -2.303 1.00 0.00 H new ATOM 759 N SER A 50 28.938 -7.944 0.402 1.00 0.00 N ATOM 760 CA SER A 50 30.169 -8.244 -0.318 1.00 0.00 C ATOM 761 C SER A 50 29.818 -8.821 -1.686 1.00 0.00 C ATOM 762 O SER A 50 30.082 -9.988 -1.978 1.00 0.00 O ATOM 763 CB SER A 50 31.031 -9.227 0.475 1.00 0.00 C ATOM 764 OG SER A 50 32.239 -9.515 -0.209 1.00 0.00 O ATOM 0 H SER A 50 28.686 -8.626 1.118 1.00 0.00 H new ATOM 0 HA SER A 50 30.744 -7.327 -0.448 1.00 0.00 H new ATOM 0 HB2 SER A 50 31.256 -8.808 1.456 1.00 0.00 H new ATOM 0 HB3 SER A 50 30.475 -10.150 0.642 1.00 0.00 H new ATOM 0 HG SER A 50 32.772 -10.144 0.320 1.00 0.00 H new ATOM 770 N ASP A 51 29.214 -7.976 -2.514 1.00 0.00 N ATOM 771 CA ASP A 51 28.790 -8.341 -3.859 1.00 0.00 C ATOM 772 C ASP A 51 28.781 -7.105 -4.750 1.00 0.00 C ATOM 773 O ASP A 51 28.474 -7.177 -5.941 1.00 0.00 O ATOM 774 CB ASP A 51 27.388 -8.945 -3.824 1.00 0.00 C ATOM 775 CG ASP A 51 27.069 -9.742 -5.073 1.00 0.00 C ATOM 776 OD1 ASP A 51 26.714 -9.123 -6.099 1.00 0.00 O ATOM 777 OD2 ASP A 51 27.177 -10.985 -5.027 1.00 0.00 O ATOM 0 H ASP A 51 29.003 -7.009 -2.267 1.00 0.00 H new ATOM 0 HA ASP A 51 29.489 -9.076 -4.258 1.00 0.00 H new ATOM 0 HB2 ASP A 51 27.296 -9.591 -2.951 1.00 0.00 H new ATOM 0 HB3 ASP A 51 26.655 -8.147 -3.709 1.00 0.00 H new ATOM 782 N GLY A 52 29.127 -5.971 -4.148 1.00 0.00 N ATOM 783 CA GLY A 52 29.130 -4.716 -4.875 1.00 0.00 C ATOM 784 C GLY A 52 27.749 -4.334 -5.369 1.00 0.00 C ATOM 785 O GLY A 52 27.590 -3.522 -6.280 1.00 0.00 O ATOM 0 H GLY A 52 29.405 -5.900 -3.169 1.00 0.00 H new ATOM 0 HA2 GLY A 52 29.514 -3.926 -4.230 1.00 0.00 H new ATOM 0 HA3 GLY A 52 29.809 -4.792 -5.724 1.00 0.00 H new ATOM 789 N GLU A 53 26.754 -4.945 -4.735 1.00 0.00 N ATOM 790 CA GLU A 53 25.357 -4.675 -5.055 1.00 0.00 C ATOM 791 C GLU A 53 24.544 -4.449 -3.787 1.00 0.00 C ATOM 792 O GLU A 53 24.911 -4.918 -2.711 1.00 0.00 O ATOM 793 CB GLU A 53 24.755 -5.835 -5.850 1.00 0.00 C ATOM 794 CG GLU A 53 24.277 -6.987 -4.977 1.00 0.00 C ATOM 795 CD GLU A 53 23.811 -8.180 -5.788 1.00 0.00 C ATOM 796 OE1 GLU A 53 23.080 -7.975 -6.779 1.00 0.00 O ATOM 797 OE2 GLU A 53 24.178 -9.319 -5.431 1.00 0.00 O ATOM 0 H GLU A 53 26.890 -5.633 -3.994 1.00 0.00 H new ATOM 0 HA GLU A 53 25.322 -3.770 -5.661 1.00 0.00 H new ATOM 0 HB2 GLU A 53 23.916 -5.464 -6.440 1.00 0.00 H new ATOM 0 HB3 GLU A 53 25.499 -6.208 -6.554 1.00 0.00 H new ATOM 0 HG2 GLU A 53 25.086 -7.296 -4.315 1.00 0.00 H new ATOM 0 HG3 GLU A 53 23.460 -6.642 -4.343 1.00 0.00 H new ATOM 804 N TRP A 54 23.439 -3.727 -3.920 1.00 0.00 N ATOM 805 CA TRP A 54 22.571 -3.458 -2.793 1.00 0.00 C ATOM 806 C TRP A 54 21.618 -4.611 -2.568 1.00 0.00 C ATOM 807 O TRP A 54 20.760 -4.906 -3.399 1.00 0.00 O ATOM 808 CB TRP A 54 21.762 -2.199 -3.034 1.00 0.00 C ATOM 809 CG TRP A 54 22.582 -0.950 -2.994 1.00 0.00 C ATOM 810 CD1 TRP A 54 22.989 -0.198 -4.058 1.00 0.00 C ATOM 811 CD2 TRP A 54 23.104 -0.315 -1.829 1.00 0.00 C ATOM 812 NE1 TRP A 54 23.731 0.872 -3.620 1.00 0.00 N ATOM 813 CE2 TRP A 54 23.815 0.822 -2.253 1.00 0.00 C ATOM 814 CE3 TRP A 54 23.034 -0.599 -0.467 1.00 0.00 C ATOM 815 CZ2 TRP A 54 24.453 1.676 -1.358 1.00 0.00 C ATOM 816 CZ3 TRP A 54 23.666 0.247 0.422 1.00 0.00 C ATOM 817 CH2 TRP A 54 24.368 1.373 -0.027 1.00 0.00 C ATOM 0 H TRP A 54 23.127 -3.319 -4.801 1.00 0.00 H new ATOM 0 HA TRP A 54 23.201 -3.327 -1.913 1.00 0.00 H new ATOM 0 HB2 TRP A 54 21.271 -2.272 -4.004 1.00 0.00 H new ATOM 0 HB3 TRP A 54 20.975 -2.132 -2.283 1.00 0.00 H new ATOM 0 HD1 TRP A 54 22.761 -0.413 -5.092 1.00 0.00 H new ATOM 0 HE1 TRP A 54 24.151 1.587 -4.215 1.00 0.00 H new ATOM 0 HE3 TRP A 54 22.495 -1.465 -0.113 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 24.995 2.545 -1.702 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 23.618 0.037 1.480 1.00 0.00 H new ATOM 0 HH2 TRP A 54 24.852 2.016 0.693 1.00 0.00 H new ATOM 828 N VAL A 55 21.786 -5.257 -1.427 1.00 0.00 N ATOM 829 CA VAL A 55 20.960 -6.385 -1.060 1.00 0.00 C ATOM 830 C VAL A 55 19.850 -5.943 -0.131 1.00 0.00 C ATOM 831 O VAL A 55 19.999 -4.964 0.602 1.00 0.00 O ATOM 832 CB VAL A 55 21.753 -7.456 -0.330 1.00 0.00 C ATOM 833 CG1 VAL A 55 22.613 -8.247 -1.292 1.00 0.00 C ATOM 834 CG2 VAL A 55 22.580 -6.831 0.773 1.00 0.00 C ATOM 0 H VAL A 55 22.495 -5.013 -0.736 1.00 0.00 H new ATOM 0 HA VAL A 55 20.562 -6.792 -1.990 1.00 0.00 H new ATOM 0 HB VAL A 55 21.055 -8.157 0.126 1.00 0.00 H new ATOM 0 HG11 VAL A 55 23.169 -9.006 -0.743 1.00 0.00 H new ATOM 0 HG12 VAL A 55 21.978 -8.729 -2.035 1.00 0.00 H new ATOM 0 HG13 VAL A 55 23.312 -7.576 -1.792 1.00 0.00 H new ATOM 0 HG21 VAL A 55 23.144 -7.608 1.289 1.00 0.00 H new ATOM 0 HG22 VAL A 55 23.271 -6.106 0.343 1.00 0.00 H new ATOM 0 HG23 VAL A 55 21.921 -6.329 1.482 1.00 0.00 H new ATOM 844 N TYR A 56 18.752 -6.680 -0.155 1.00 0.00 N ATOM 845 CA TYR A 56 17.630 -6.396 0.736 1.00 0.00 C ATOM 846 C TYR A 56 16.394 -7.222 0.393 1.00 0.00 C ATOM 847 O TYR A 56 16.371 -7.924 -0.617 1.00 0.00 O ATOM 848 CB TYR A 56 17.266 -4.909 0.684 1.00 0.00 C ATOM 849 CG TYR A 56 16.947 -4.423 -0.716 1.00 0.00 C ATOM 850 CD1 TYR A 56 15.666 -4.544 -1.241 1.00 0.00 C ATOM 851 CD2 TYR A 56 17.931 -3.852 -1.516 1.00 0.00 C ATOM 852 CE1 TYR A 56 15.374 -4.111 -2.520 1.00 0.00 C ATOM 853 CE2 TYR A 56 17.646 -3.417 -2.797 1.00 0.00 C ATOM 854 CZ TYR A 56 16.367 -3.549 -3.293 1.00 0.00 C ATOM 855 OH TYR A 56 16.079 -3.120 -4.568 1.00 0.00 O ATOM 0 H TYR A 56 18.610 -7.476 -0.777 1.00 0.00 H new ATOM 0 HA TYR A 56 17.953 -6.668 1.741 1.00 0.00 H new ATOM 0 HB2 TYR A 56 16.406 -4.729 1.329 1.00 0.00 H new ATOM 0 HB3 TYR A 56 18.094 -4.324 1.085 1.00 0.00 H new ATOM 0 HD1 TYR A 56 14.885 -4.984 -0.639 1.00 0.00 H new ATOM 0 HD2 TYR A 56 18.934 -3.747 -1.130 1.00 0.00 H new ATOM 0 HE1 TYR A 56 14.373 -4.212 -2.912 1.00 0.00 H new ATOM 0 HE2 TYR A 56 18.422 -2.976 -3.406 1.00 0.00 H new ATOM 0 HH TYR A 56 16.887 -2.748 -4.978 1.00 0.00 H new ATOM 865 N ASN A 57 15.371 -7.133 1.234 1.00 0.00 N ATOM 866 CA ASN A 57 14.136 -7.873 1.005 1.00 0.00 C ATOM 867 C ASN A 57 13.084 -6.972 0.373 1.00 0.00 C ATOM 868 O ASN A 57 13.290 -5.767 0.237 1.00 0.00 O ATOM 869 CB ASN A 57 13.612 -8.457 2.318 1.00 0.00 C ATOM 870 CG ASN A 57 14.548 -9.496 2.905 1.00 0.00 C ATOM 871 OD1 ASN A 57 14.631 -9.652 4.123 1.00 0.00 O ATOM 872 ND2 ASN A 57 15.257 -10.213 2.042 1.00 0.00 N ATOM 0 H ASN A 57 15.371 -6.559 2.077 1.00 0.00 H new ATOM 0 HA ASN A 57 14.349 -8.693 0.319 1.00 0.00 H new ATOM 0 HB2 ASN A 57 13.470 -7.652 3.039 1.00 0.00 H new ATOM 0 HB3 ASN A 57 12.635 -8.908 2.147 1.00 0.00 H new ATOM 0 HD21 ASN A 57 15.902 -10.927 2.381 1.00 0.00 H new ATOM 0 HD22 ASN A 57 15.157 -10.050 1.040 1.00 0.00 H new ATOM 879 N THR A 58 11.956 -7.559 -0.010 1.00 0.00 N ATOM 880 CA THR A 58 10.880 -6.801 -0.629 1.00 0.00 C ATOM 881 C THR A 58 10.159 -5.952 0.404 1.00 0.00 C ATOM 882 O THR A 58 9.068 -6.300 0.854 1.00 0.00 O ATOM 883 CB THR A 58 9.857 -7.724 -1.315 1.00 0.00 C ATOM 884 OG1 THR A 58 10.532 -8.682 -2.139 1.00 0.00 O ATOM 885 CG2 THR A 58 8.886 -6.916 -2.164 1.00 0.00 C ATOM 0 H THR A 58 11.765 -8.555 0.098 1.00 0.00 H new ATOM 0 HA THR A 58 11.336 -6.159 -1.383 1.00 0.00 H new ATOM 0 HB THR A 58 9.295 -8.245 -0.540 1.00 0.00 H new ATOM 0 HG1 THR A 58 9.873 -9.265 -2.570 1.00 0.00 H new ATOM 0 HG21 THR A 58 8.172 -7.588 -2.640 1.00 0.00 H new ATOM 0 HG22 THR A 58 8.351 -6.208 -1.531 1.00 0.00 H new ATOM 0 HG23 THR A 58 9.438 -6.372 -2.930 1.00 0.00 H new ATOM 893 N PHE A 59 10.779 -4.841 0.788 1.00 0.00 N ATOM 894 CA PHE A 59 10.184 -3.951 1.771 1.00 0.00 C ATOM 895 C PHE A 59 8.753 -3.604 1.383 1.00 0.00 C ATOM 896 O PHE A 59 8.470 -3.299 0.224 1.00 0.00 O ATOM 897 CB PHE A 59 11.008 -2.672 1.921 1.00 0.00 C ATOM 898 CG PHE A 59 11.765 -2.265 0.691 1.00 0.00 C ATOM 899 CD1 PHE A 59 11.100 -1.929 -0.475 1.00 0.00 C ATOM 900 CD2 PHE A 59 13.148 -2.210 0.710 1.00 0.00 C ATOM 901 CE1 PHE A 59 11.802 -1.547 -1.601 1.00 0.00 C ATOM 902 CE2 PHE A 59 13.853 -1.828 -0.412 1.00 0.00 C ATOM 903 CZ PHE A 59 13.180 -1.495 -1.569 1.00 0.00 C ATOM 0 H PHE A 59 11.687 -4.539 0.435 1.00 0.00 H new ATOM 0 HA PHE A 59 10.174 -4.471 2.729 1.00 0.00 H new ATOM 0 HB2 PHE A 59 10.341 -1.858 2.207 1.00 0.00 H new ATOM 0 HB3 PHE A 59 11.716 -2.806 2.739 1.00 0.00 H new ATOM 0 HD1 PHE A 59 10.021 -1.966 -0.505 1.00 0.00 H new ATOM 0 HD2 PHE A 59 13.681 -2.469 1.613 1.00 0.00 H new ATOM 0 HE1 PHE A 59 11.272 -1.289 -2.506 1.00 0.00 H new ATOM 0 HE2 PHE A 59 14.932 -1.790 -0.385 1.00 0.00 H new ATOM 0 HZ PHE A 59 13.731 -1.194 -2.448 1.00 0.00 H new ATOM 913 N CYS A 60 7.855 -3.659 2.360 1.00 0.00 N ATOM 914 CA CYS A 60 6.448 -3.357 2.125 1.00 0.00 C ATOM 915 C CYS A 60 5.845 -4.344 1.129 1.00 0.00 C ATOM 916 O CYS A 60 6.447 -5.371 0.817 1.00 0.00 O ATOM 917 CB CYS A 60 6.283 -1.921 1.615 1.00 0.00 C ATOM 918 SG CYS A 60 6.888 -0.652 2.774 1.00 0.00 S ATOM 0 H CYS A 60 8.077 -3.910 3.323 1.00 0.00 H new ATOM 0 HA CYS A 60 5.917 -3.453 3.072 1.00 0.00 H new ATOM 0 HB2 CYS A 60 6.815 -1.818 0.669 1.00 0.00 H new ATOM 0 HB3 CYS A 60 5.228 -1.738 1.409 1.00 0.00 H new ATOM 923 N ILE A 61 4.659 -4.017 0.633 1.00 0.00 N ATOM 924 CA ILE A 61 3.955 -4.868 -0.317 1.00 0.00 C ATOM 925 C ILE A 61 2.634 -4.237 -0.734 1.00 0.00 C ATOM 926 O ILE A 61 1.635 -4.310 -0.017 1.00 0.00 O ATOM 927 CB ILE A 61 3.689 -6.277 0.252 1.00 0.00 C ATOM 928 CG1 ILE A 61 2.677 -7.027 -0.620 1.00 0.00 C ATOM 929 CG2 ILE A 61 3.198 -6.191 1.689 1.00 0.00 C ATOM 930 CD1 ILE A 61 2.607 -8.511 -0.331 1.00 0.00 C ATOM 0 H ILE A 61 4.161 -3.161 0.876 1.00 0.00 H new ATOM 0 HA ILE A 61 4.604 -4.967 -1.187 1.00 0.00 H new ATOM 0 HB ILE A 61 4.627 -6.832 0.244 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.689 -6.590 -0.472 1.00 0.00 H new ATOM 0 HG13 ILE A 61 2.936 -6.882 -1.669 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.016 -7.195 2.072 1.00 0.00 H new ATOM 0 HG22 ILE A 61 3.953 -5.700 2.303 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.272 -5.616 1.723 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.870 -8.975 -0.986 1.00 0.00 H new ATOM 0 HD12 ILE A 61 3.584 -8.962 -0.506 1.00 0.00 H new ATOM 0 HD13 ILE A 61 2.317 -8.666 0.708 1.00 0.00 H new ATOM 942 N TYR A 62 2.649 -3.610 -1.896 1.00 0.00 N ATOM 943 CA TYR A 62 1.468 -2.964 -2.442 1.00 0.00 C ATOM 944 C TYR A 62 0.332 -3.947 -2.651 1.00 0.00 C ATOM 945 O TYR A 62 0.492 -4.953 -3.344 1.00 0.00 O ATOM 946 CB TYR A 62 1.805 -2.323 -3.789 1.00 0.00 C ATOM 947 CG TYR A 62 1.152 -0.975 -3.985 1.00 0.00 C ATOM 948 CD1 TYR A 62 -0.227 -0.827 -3.927 1.00 0.00 C ATOM 949 CD2 TYR A 62 1.921 0.154 -4.208 1.00 0.00 C ATOM 950 CE1 TYR A 62 -0.815 0.413 -4.092 1.00 0.00 C ATOM 951 CE2 TYR A 62 1.346 1.396 -4.370 1.00 0.00 C ATOM 952 CZ TYR A 62 -0.024 1.522 -4.312 1.00 0.00 C ATOM 953 OH TYR A 62 -0.602 2.757 -4.475 1.00 0.00 O ATOM 0 H TYR A 62 3.477 -3.534 -2.487 1.00 0.00 H new ATOM 0 HA TYR A 62 1.150 -2.210 -1.722 1.00 0.00 H new ATOM 0 HB2 TYR A 62 2.886 -2.211 -3.871 1.00 0.00 H new ATOM 0 HB3 TYR A 62 1.492 -2.992 -4.591 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -0.849 -1.692 -3.751 1.00 0.00 H new ATOM 0 HD2 TYR A 62 2.996 0.060 -4.256 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -1.889 0.513 -4.049 1.00 0.00 H new ATOM 0 HE2 TYR A 62 1.965 2.264 -4.541 1.00 0.00 H new ATOM 0 HH TYR A 62 -0.738 3.173 -3.598 1.00 0.00 H new ATOM 963 N LYS A 63 -0.820 -3.661 -2.053 1.00 0.00 N ATOM 964 CA LYS A 63 -1.996 -4.490 -2.238 1.00 0.00 C ATOM 965 C LYS A 63 -3.250 -3.703 -1.883 1.00 0.00 C ATOM 966 O LYS A 63 -3.448 -3.313 -0.733 1.00 0.00 O ATOM 967 CB LYS A 63 -1.898 -5.761 -1.392 1.00 0.00 C ATOM 968 CG LYS A 63 -1.891 -5.503 0.103 1.00 0.00 C ATOM 969 CD LYS A 63 -1.789 -6.798 0.889 1.00 0.00 C ATOM 970 CE LYS A 63 -0.346 -7.229 1.087 1.00 0.00 C ATOM 971 NZ LYS A 63 -0.240 -8.435 1.954 1.00 0.00 N ATOM 0 H LYS A 63 -0.960 -2.860 -1.437 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.055 -4.785 -3.286 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.737 -6.413 -1.635 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.989 -6.297 -1.663 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.053 -4.854 0.358 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -2.801 -4.974 0.387 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -2.266 -6.671 1.861 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.334 -7.584 0.366 1.00 0.00 H new ATOM 0 HE2 LYS A 63 0.107 -7.438 0.118 1.00 0.00 H new ATOM 0 HE3 LYS A 63 0.219 -6.411 1.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 0.742 -8.777 1.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -0.522 -8.191 2.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -0.866 -9.181 1.589 1.00 0.00 H new ATOM 985 N ARG A 64 -4.091 -3.455 -2.878 1.00 0.00 N ATOM 986 CA ARG A 64 -5.319 -2.701 -2.671 1.00 0.00 C ATOM 987 C ARG A 64 -6.526 -3.452 -3.219 1.00 0.00 C ATOM 988 O ARG A 64 -6.390 -4.528 -3.797 1.00 0.00 O ATOM 989 CB ARG A 64 -5.205 -1.332 -3.337 1.00 0.00 C ATOM 990 CG ARG A 64 -4.735 -1.392 -4.778 1.00 0.00 C ATOM 991 CD ARG A 64 -3.907 -0.173 -5.136 1.00 0.00 C ATOM 992 NE ARG A 64 -4.682 1.062 -5.057 1.00 0.00 N ATOM 993 CZ ARG A 64 -4.312 2.203 -5.632 1.00 0.00 C ATOM 994 NH1 ARG A 64 -3.189 2.263 -6.335 1.00 0.00 N ATOM 995 NH2 ARG A 64 -5.067 3.286 -5.505 1.00 0.00 N ATOM 0 H ARG A 64 -3.944 -3.766 -3.838 1.00 0.00 H new ATOM 0 HA ARG A 64 -5.463 -2.571 -1.598 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -6.176 -0.838 -3.301 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -4.513 -0.715 -2.764 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -4.144 -2.295 -4.933 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -5.597 -1.457 -5.442 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -3.051 -0.107 -4.464 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -3.511 -0.288 -6.145 1.00 0.00 H new ATOM 0 HE ARG A 64 -5.556 1.049 -4.531 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -2.606 1.432 -6.436 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -2.909 3.140 -6.774 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -5.932 3.244 -4.966 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -4.783 4.161 -5.946 1.00 0.00 H new ATOM 1009 N CYS A 65 -7.707 -2.866 -3.049 1.00 0.00 N ATOM 1010 CA CYS A 65 -8.938 -3.482 -3.515 1.00 0.00 C ATOM 1011 C CYS A 65 -9.555 -2.635 -4.610 1.00 0.00 C ATOM 1012 O CYS A 65 -9.717 -1.425 -4.444 1.00 0.00 O ATOM 1013 CB CYS A 65 -9.930 -3.632 -2.359 1.00 0.00 C ATOM 1014 SG CYS A 65 -9.185 -4.220 -0.803 1.00 0.00 S ATOM 0 H CYS A 65 -7.834 -1.964 -2.591 1.00 0.00 H new ATOM 0 HA CYS A 65 -8.705 -4.471 -3.910 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -10.408 -2.669 -2.178 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -10.715 -4.326 -2.657 1.00 0.00 H new ATOM 1019 N ARG A 66 -9.890 -3.260 -5.732 1.00 0.00 N ATOM 1020 CA ARG A 66 -10.490 -2.526 -6.833 1.00 0.00 C ATOM 1021 C ARG A 66 -11.655 -1.697 -6.316 1.00 0.00 C ATOM 1022 O ARG A 66 -12.415 -2.144 -5.459 1.00 0.00 O ATOM 1023 CB ARG A 66 -10.949 -3.474 -7.946 1.00 0.00 C ATOM 1024 CG ARG A 66 -11.789 -2.800 -9.023 1.00 0.00 C ATOM 1025 CD ARG A 66 -11.051 -1.637 -9.670 1.00 0.00 C ATOM 1026 NE ARG A 66 -11.832 -1.026 -10.743 1.00 0.00 N ATOM 1027 CZ ARG A 66 -11.422 0.023 -11.450 1.00 0.00 C ATOM 1028 NH1 ARG A 66 -10.240 0.573 -11.204 1.00 0.00 N ATOM 1029 NH2 ARG A 66 -12.193 0.520 -12.407 1.00 0.00 N ATOM 0 H ARG A 66 -9.758 -4.257 -5.900 1.00 0.00 H new ATOM 0 HA ARG A 66 -9.740 -1.861 -7.260 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -10.072 -3.924 -8.411 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -11.526 -4.286 -7.503 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -12.056 -3.531 -9.786 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -12.721 -2.441 -8.586 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -10.823 -0.886 -8.914 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -10.099 -1.988 -10.068 1.00 0.00 H new ATOM 0 HE ARG A 66 -12.744 -1.427 -10.962 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -9.643 0.191 -10.471 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -9.929 1.378 -11.748 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -13.101 0.098 -12.601 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -11.878 1.325 -12.949 1.00 0.00 H new ATOM 1043 N HIS A 67 -11.783 -0.493 -6.845 1.00 0.00 N ATOM 1044 CA HIS A 67 -12.851 0.410 -6.435 1.00 0.00 C ATOM 1045 C HIS A 67 -14.202 -0.307 -6.412 1.00 0.00 C ATOM 1046 O HIS A 67 -14.626 -0.878 -7.417 1.00 0.00 O ATOM 1047 CB HIS A 67 -12.918 1.612 -7.379 1.00 0.00 C ATOM 1048 CG HIS A 67 -13.904 2.655 -6.953 1.00 0.00 C ATOM 1049 ND1 HIS A 67 -15.200 2.702 -7.422 1.00 0.00 N ATOM 1050 CD2 HIS A 67 -13.777 3.695 -6.096 1.00 0.00 C ATOM 1051 CE1 HIS A 67 -15.828 3.726 -6.871 1.00 0.00 C ATOM 1052 NE2 HIS A 67 -14.987 4.344 -6.063 1.00 0.00 N ATOM 0 H HIS A 67 -11.162 -0.115 -7.560 1.00 0.00 H new ATOM 0 HA HIS A 67 -12.629 0.756 -5.425 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -11.929 2.065 -7.447 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -13.179 1.264 -8.379 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -12.890 3.964 -5.542 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -16.855 4.009 -7.051 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -15.201 5.170 -5.504 1.00 0.00 H new ATOM 1061 N PRO A 68 -14.892 -0.287 -5.254 1.00 0.00 N ATOM 1062 CA PRO A 68 -16.206 -0.920 -5.098 1.00 0.00 C ATOM 1063 C PRO A 68 -17.122 -0.645 -6.277 1.00 0.00 C ATOM 1064 O PRO A 68 -17.874 -1.513 -6.720 1.00 0.00 O ATOM 1065 CB PRO A 68 -16.766 -0.219 -3.864 1.00 0.00 C ATOM 1066 CG PRO A 68 -15.574 0.104 -3.040 1.00 0.00 C ATOM 1067 CD PRO A 68 -14.451 0.373 -4.007 1.00 0.00 C ATOM 0 HA PRO A 68 -16.131 -2.005 -5.023 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -17.315 0.682 -4.136 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -17.459 -0.863 -3.323 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -15.761 0.974 -2.410 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -15.325 -0.723 -2.376 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -14.297 1.442 -4.153 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -13.508 -0.039 -3.649 1.00 0.00 H new ATOM 1075 N GLY A 69 -17.037 0.577 -6.780 1.00 0.00 N ATOM 1076 CA GLY A 69 -17.881 0.998 -7.874 1.00 0.00 C ATOM 1077 C GLY A 69 -18.901 2.005 -7.394 1.00 0.00 C ATOM 1078 O GLY A 69 -18.915 2.391 -6.225 1.00 0.00 O ATOM 0 H GLY A 69 -16.390 1.291 -6.444 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -17.272 1.436 -8.664 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -18.388 0.134 -8.304 1.00 0.00 H new ATOM 1082 N GLU A 70 -19.751 2.428 -8.314 1.00 0.00 N ATOM 1083 CA GLU A 70 -20.787 3.391 -7.993 1.00 0.00 C ATOM 1084 C GLU A 70 -21.965 2.699 -7.326 1.00 0.00 C ATOM 1085 O GLU A 70 -22.458 1.673 -7.796 1.00 0.00 O ATOM 1086 CB GLU A 70 -21.240 4.154 -9.239 1.00 0.00 C ATOM 1087 CG GLU A 70 -22.296 5.211 -8.955 1.00 0.00 C ATOM 1088 CD GLU A 70 -22.882 5.805 -10.219 1.00 0.00 C ATOM 1089 OE1 GLU A 70 -22.180 6.595 -10.885 1.00 0.00 O ATOM 1090 OE2 GLU A 70 -24.043 5.480 -10.545 1.00 0.00 O ATOM 0 H GLU A 70 -19.743 2.120 -9.286 1.00 0.00 H new ATOM 0 HA GLU A 70 -20.370 4.116 -7.295 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -20.374 4.632 -9.697 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -21.635 3.444 -9.966 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -23.096 4.769 -8.361 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -21.855 6.007 -8.355 1.00 0.00 H new ATOM 1097 N LEU A 71 -22.403 3.287 -6.223 1.00 0.00 N ATOM 1098 CA LEU A 71 -23.540 2.787 -5.471 1.00 0.00 C ATOM 1099 C LEU A 71 -24.744 3.655 -5.811 1.00 0.00 C ATOM 1100 O LEU A 71 -24.909 4.746 -5.268 1.00 0.00 O ATOM 1101 CB LEU A 71 -23.228 2.821 -3.969 1.00 0.00 C ATOM 1102 CG LEU A 71 -24.433 2.685 -3.042 1.00 0.00 C ATOM 1103 CD1 LEU A 71 -25.146 1.359 -3.268 1.00 0.00 C ATOM 1104 CD2 LEU A 71 -24.015 2.829 -1.588 1.00 0.00 C ATOM 0 H LEU A 71 -21.979 4.125 -5.825 1.00 0.00 H new ATOM 0 HA LEU A 71 -23.756 1.752 -5.734 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -22.526 2.018 -3.744 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -22.722 3.759 -3.742 1.00 0.00 H new ATOM 0 HG LEU A 71 -25.130 3.489 -3.277 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -26.001 1.286 -2.596 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -25.491 1.303 -4.301 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -24.458 0.537 -3.070 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -24.890 2.729 -0.946 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -23.291 2.053 -1.339 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -23.563 3.809 -1.435 1.00 0.00 H new ATOM 1116 N ARG A 72 -25.572 3.166 -6.730 1.00 0.00 N ATOM 1117 CA ARG A 72 -26.748 3.920 -7.159 1.00 0.00 C ATOM 1118 C ARG A 72 -27.723 4.105 -6.002 1.00 0.00 C ATOM 1119 O ARG A 72 -28.096 3.154 -5.314 1.00 0.00 O ATOM 1120 CB ARG A 72 -27.432 3.268 -8.361 1.00 0.00 C ATOM 1121 CG ARG A 72 -28.602 4.073 -8.902 1.00 0.00 C ATOM 1122 CD ARG A 72 -29.278 3.364 -10.064 1.00 0.00 C ATOM 1123 NE ARG A 72 -29.891 2.104 -9.654 1.00 0.00 N ATOM 1124 CZ ARG A 72 -30.570 1.310 -10.479 1.00 0.00 C ATOM 1125 NH1 ARG A 72 -30.717 1.644 -11.754 1.00 0.00 N ATOM 1126 NH2 ARG A 72 -31.101 0.182 -10.028 1.00 0.00 N ATOM 0 H ARG A 72 -25.454 2.262 -7.188 1.00 0.00 H new ATOM 0 HA ARG A 72 -26.409 4.905 -7.479 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -26.699 3.129 -9.155 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -27.784 2.277 -8.075 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -29.327 4.242 -8.106 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -28.251 5.053 -9.227 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -30.040 4.015 -10.492 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -28.545 3.172 -10.848 1.00 0.00 H new ATOM 0 HE ARG A 72 -29.794 1.816 -8.680 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -30.309 2.511 -12.104 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -31.238 1.034 -12.384 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -30.989 -0.078 -9.048 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -31.621 -0.426 -10.661 1.00 0.00 H new ATOM 1140 N ASN A 73 -28.109 5.366 -5.812 1.00 0.00 N ATOM 1141 CA ASN A 73 -28.998 5.782 -4.732 1.00 0.00 C ATOM 1142 C ASN A 73 -28.209 5.779 -3.432 1.00 0.00 C ATOM 1143 O ASN A 73 -28.759 6.039 -2.363 1.00 0.00 O ATOM 1144 CB ASN A 73 -30.233 4.881 -4.634 1.00 0.00 C ATOM 1145 CG ASN A 73 -30.917 4.685 -5.975 1.00 0.00 C ATOM 1146 OD1 ASN A 73 -30.823 5.686 -6.843 1.00 0.00 O flip ATOM 1147 ND2 ASN A 73 -31.525 3.644 -6.227 1.00 0.00 N flip ATOM 0 H ASN A 73 -27.809 6.135 -6.411 1.00 0.00 H new ATOM 0 HA ASN A 73 -29.367 6.787 -4.937 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -29.940 3.910 -4.234 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -30.941 5.316 -3.929 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -31.572 2.900 -5.531 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -31.981 3.526 -7.132 1.00 0.00 H new ATOM 1154 N GLY A 74 -26.920 5.478 -3.528 1.00 0.00 N ATOM 1155 CA GLY A 74 -26.104 5.459 -2.333 1.00 0.00 C ATOM 1156 C GLY A 74 -24.839 6.289 -2.435 1.00 0.00 C ATOM 1157 O GLY A 74 -24.616 6.992 -3.421 1.00 0.00 O ATOM 0 H GLY A 74 -26.434 5.251 -4.395 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -26.698 5.823 -1.494 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -25.832 4.428 -2.108 1.00 0.00 H new ATOM 1161 N GLN A 75 -24.014 6.195 -1.397 1.00 0.00 N ATOM 1162 CA GLN A 75 -22.760 6.938 -1.336 1.00 0.00 C ATOM 1163 C GLN A 75 -21.612 6.027 -0.911 1.00 0.00 C ATOM 1164 O GLN A 75 -21.763 5.206 -0.009 1.00 0.00 O ATOM 1165 CB GLN A 75 -22.888 8.108 -0.357 1.00 0.00 C ATOM 1166 CG GLN A 75 -21.594 8.878 -0.151 1.00 0.00 C ATOM 1167 CD GLN A 75 -21.724 9.968 0.895 1.00 0.00 C ATOM 1168 OE1 GLN A 75 -22.518 9.857 1.830 1.00 0.00 O ATOM 1169 NE2 GLN A 75 -20.942 11.030 0.742 1.00 0.00 N ATOM 0 H GLN A 75 -24.193 5.608 -0.582 1.00 0.00 H new ATOM 0 HA GLN A 75 -22.543 7.326 -2.331 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -23.654 8.793 -0.722 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -23.232 7.729 0.605 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -20.807 8.185 0.147 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -21.286 9.323 -1.097 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -20.299 11.080 -0.048 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -20.985 11.796 1.414 1.00 0.00 H new ATOM 1178 N VAL A 76 -20.466 6.180 -1.566 1.00 0.00 N ATOM 1179 CA VAL A 76 -19.295 5.369 -1.246 1.00 0.00 C ATOM 1180 C VAL A 76 -18.248 6.195 -0.508 1.00 0.00 C ATOM 1181 O VAL A 76 -17.595 7.054 -1.101 1.00 0.00 O ATOM 1182 CB VAL A 76 -18.654 4.765 -2.509 1.00 0.00 C ATOM 1183 CG1 VAL A 76 -17.546 3.793 -2.124 1.00 0.00 C ATOM 1184 CG2 VAL A 76 -19.705 4.075 -3.366 1.00 0.00 C ATOM 0 H VAL A 76 -20.322 6.854 -2.318 1.00 0.00 H new ATOM 0 HA VAL A 76 -19.642 4.557 -0.607 1.00 0.00 H new ATOM 0 HB VAL A 76 -18.216 5.572 -3.097 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -17.101 3.373 -3.026 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -16.781 4.320 -1.554 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -17.962 2.989 -1.516 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -19.232 3.655 -4.254 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -20.175 3.276 -2.792 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -20.462 4.799 -3.667 1.00 0.00 H new ATOM 1194 N GLU A 77 -18.089 5.938 0.786 1.00 0.00 N ATOM 1195 CA GLU A 77 -17.107 6.663 1.582 1.00 0.00 C ATOM 1196 C GLU A 77 -15.698 6.157 1.297 1.00 0.00 C ATOM 1197 O GLU A 77 -15.275 5.134 1.832 1.00 0.00 O ATOM 1198 CB GLU A 77 -17.406 6.528 3.075 1.00 0.00 C ATOM 1199 CG GLU A 77 -16.344 7.165 3.958 1.00 0.00 C ATOM 1200 CD GLU A 77 -16.336 8.679 3.863 1.00 0.00 C ATOM 1201 OE1 GLU A 77 -17.113 9.324 4.598 1.00 0.00 O ATOM 1202 OE2 GLU A 77 -15.553 9.218 3.053 1.00 0.00 O ATOM 0 H GLU A 77 -18.623 5.239 1.302 1.00 0.00 H new ATOM 0 HA GLU A 77 -17.170 7.715 1.303 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -18.371 6.988 3.289 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -17.493 5.471 3.327 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -16.514 6.871 4.994 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -15.364 6.782 3.674 1.00 0.00 H new ATOM 1209 N ILE A 78 -14.977 6.882 0.453 1.00 0.00 N ATOM 1210 CA ILE A 78 -13.611 6.514 0.098 1.00 0.00 C ATOM 1211 C ILE A 78 -12.660 7.670 0.398 1.00 0.00 C ATOM 1212 O ILE A 78 -13.041 8.837 0.298 1.00 0.00 O ATOM 1213 CB ILE A 78 -13.500 6.100 -1.391 1.00 0.00 C ATOM 1214 CG1 ILE A 78 -13.081 4.631 -1.508 1.00 0.00 C ATOM 1215 CG2 ILE A 78 -12.518 6.988 -2.141 1.00 0.00 C ATOM 1216 CD1 ILE A 78 -14.206 3.651 -1.254 1.00 0.00 C ATOM 0 H ILE A 78 -15.315 7.731 -0.000 1.00 0.00 H new ATOM 0 HA ILE A 78 -13.330 5.652 0.703 1.00 0.00 H new ATOM 0 HB ILE A 78 -14.483 6.225 -1.845 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -12.678 4.456 -2.506 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -12.275 4.436 -0.800 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -12.463 6.671 -3.183 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -12.855 8.024 -2.094 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -11.532 6.906 -1.685 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -13.831 2.633 -1.355 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -14.594 3.796 -0.246 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -15.004 3.817 -1.978 1.00 0.00 H new ATOM 1228 N LYS A 79 -11.425 7.345 0.766 1.00 0.00 N ATOM 1229 CA LYS A 79 -10.438 8.368 1.094 1.00 0.00 C ATOM 1230 C LYS A 79 -9.040 7.782 1.186 1.00 0.00 C ATOM 1231 O LYS A 79 -8.069 8.376 0.716 1.00 0.00 O ATOM 1232 CB LYS A 79 -10.789 9.034 2.429 1.00 0.00 C ATOM 1233 CG LYS A 79 -10.769 8.089 3.625 1.00 0.00 C ATOM 1234 CD LYS A 79 -11.866 7.045 3.547 1.00 0.00 C ATOM 1235 CE LYS A 79 -12.316 6.624 4.934 1.00 0.00 C ATOM 1236 NZ LYS A 79 -12.507 7.794 5.835 1.00 0.00 N ATOM 0 H LYS A 79 -11.085 6.387 0.844 1.00 0.00 H new ATOM 0 HA LYS A 79 -10.455 9.107 0.293 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -10.087 9.848 2.612 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -11.780 9.480 2.350 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -9.800 7.593 3.678 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -10.882 8.665 4.543 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -12.714 7.445 2.991 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -11.506 6.175 2.998 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -13.250 6.067 4.859 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -11.577 5.950 5.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -13.172 7.543 6.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -11.593 8.064 6.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -12.889 8.593 5.290 1.00 0.00 H new ATOM 1250 N THR A 80 -8.948 6.612 1.793 1.00 0.00 N ATOM 1251 CA THR A 80 -7.674 5.944 1.982 1.00 0.00 C ATOM 1252 C THR A 80 -7.157 5.328 0.689 1.00 0.00 C ATOM 1253 O THR A 80 -6.221 4.528 0.712 1.00 0.00 O ATOM 1254 CB THR A 80 -7.794 4.857 3.061 1.00 0.00 C ATOM 1255 OG1 THR A 80 -8.550 3.747 2.563 1.00 0.00 O ATOM 1256 CG2 THR A 80 -8.475 5.425 4.300 1.00 0.00 C ATOM 0 H THR A 80 -9.749 6.102 2.166 1.00 0.00 H new ATOM 0 HA THR A 80 -6.958 6.700 2.304 1.00 0.00 H new ATOM 0 HB THR A 80 -6.793 4.516 3.325 1.00 0.00 H new ATOM 0 HG1 THR A 80 -9.344 3.615 3.122 1.00 0.00 H new ATOM 0 HG21 THR A 80 -8.556 4.647 5.060 1.00 0.00 H new ATOM 0 HG22 THR A 80 -7.886 6.254 4.691 1.00 0.00 H new ATOM 0 HG23 THR A 80 -9.471 5.780 4.037 1.00 0.00 H new ATOM 1264 N ASP A 81 -7.764 5.701 -0.441 1.00 0.00 N ATOM 1265 CA ASP A 81 -7.335 5.178 -1.735 1.00 0.00 C ATOM 1266 C ASP A 81 -7.440 3.666 -1.784 1.00 0.00 C ATOM 1267 O ASP A 81 -6.957 3.030 -2.721 1.00 0.00 O ATOM 1268 CB ASP A 81 -5.889 5.555 -1.990 1.00 0.00 C ATOM 1269 CG ASP A 81 -5.696 7.045 -2.188 1.00 0.00 C ATOM 1270 OD1 ASP A 81 -5.490 7.755 -1.181 1.00 0.00 O ATOM 1271 OD2 ASP A 81 -5.748 7.501 -3.349 1.00 0.00 O ATOM 0 H ASP A 81 -8.545 6.356 -0.484 1.00 0.00 H new ATOM 0 HA ASP A 81 -7.988 5.610 -2.493 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -5.278 5.223 -1.150 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -5.531 5.026 -2.873 1.00 0.00 H new ATOM 1276 N LEU A 82 -8.068 3.102 -0.767 1.00 0.00 N ATOM 1277 CA LEU A 82 -8.232 1.665 -0.675 1.00 0.00 C ATOM 1278 C LEU A 82 -6.869 1.009 -0.541 1.00 0.00 C ATOM 1279 O LEU A 82 -6.500 0.140 -1.326 1.00 0.00 O ATOM 1280 CB LEU A 82 -8.953 1.156 -1.907 1.00 0.00 C ATOM 1281 CG LEU A 82 -10.331 1.767 -2.123 1.00 0.00 C ATOM 1282 CD1 LEU A 82 -10.269 2.896 -3.140 1.00 0.00 C ATOM 1283 CD2 LEU A 82 -11.297 0.697 -2.563 1.00 0.00 C ATOM 0 H LEU A 82 -8.474 3.623 0.010 1.00 0.00 H new ATOM 0 HA LEU A 82 -8.828 1.416 0.203 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -8.337 1.358 -2.783 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -9.056 0.073 -1.832 1.00 0.00 H new ATOM 0 HG LEU A 82 -10.681 2.191 -1.182 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -11.265 3.317 -3.278 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -9.593 3.672 -2.781 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -9.904 2.509 -4.091 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -12.282 1.137 -2.717 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -10.948 0.253 -3.495 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -11.360 -0.074 -1.795 1.00 0.00 H new ATOM 1295 N SER A 83 -6.136 1.430 0.472 1.00 0.00 N ATOM 1296 CA SER A 83 -4.797 0.912 0.718 1.00 0.00 C ATOM 1297 C SER A 83 -4.825 -0.327 1.609 1.00 0.00 C ATOM 1298 O SER A 83 -3.904 -0.546 2.395 1.00 0.00 O ATOM 1299 CB SER A 83 -3.927 1.993 1.362 1.00 0.00 C ATOM 1300 OG SER A 83 -4.426 2.360 2.637 1.00 0.00 O ATOM 0 H SER A 83 -6.445 2.133 1.143 1.00 0.00 H new ATOM 0 HA SER A 83 -4.373 0.624 -0.244 1.00 0.00 H new ATOM 0 HB2 SER A 83 -2.904 1.630 1.460 1.00 0.00 H new ATOM 0 HB3 SER A 83 -3.894 2.870 0.715 1.00 0.00 H new ATOM 0 HG SER A 83 -3.851 3.051 3.027 1.00 0.00 H new ATOM 1306 N PHE A 84 -5.867 -1.146 1.466 1.00 0.00 N ATOM 1307 CA PHE A 84 -6.012 -2.368 2.257 1.00 0.00 C ATOM 1308 C PHE A 84 -6.065 -2.066 3.752 1.00 0.00 C ATOM 1309 O PHE A 84 -5.292 -1.257 4.263 1.00 0.00 O ATOM 1310 CB PHE A 84 -4.862 -3.336 1.962 1.00 0.00 C ATOM 1311 CG PHE A 84 -4.826 -4.526 2.879 1.00 0.00 C ATOM 1312 CD1 PHE A 84 -5.730 -5.564 2.727 1.00 0.00 C ATOM 1313 CD2 PHE A 84 -3.887 -4.602 3.895 1.00 0.00 C ATOM 1314 CE1 PHE A 84 -5.699 -6.658 3.571 1.00 0.00 C ATOM 1315 CE2 PHE A 84 -3.852 -5.694 4.742 1.00 0.00 C ATOM 1316 CZ PHE A 84 -4.757 -6.722 4.580 1.00 0.00 C ATOM 0 H PHE A 84 -6.627 -0.984 0.806 1.00 0.00 H new ATOM 0 HA PHE A 84 -6.956 -2.833 1.972 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -4.946 -3.684 0.932 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -3.917 -2.799 2.041 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -6.468 -5.518 1.940 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -3.175 -3.800 4.027 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -6.409 -7.461 3.442 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -3.116 -5.742 5.531 1.00 0.00 H new ATOM 0 HZ PHE A 84 -4.730 -7.576 5.241 1.00 0.00 H new ATOM 1326 N GLY A 85 -6.985 -2.722 4.454 1.00 0.00 N ATOM 1327 CA GLY A 85 -7.110 -2.517 5.881 1.00 0.00 C ATOM 1328 C GLY A 85 -7.935 -1.294 6.223 1.00 0.00 C ATOM 1329 O GLY A 85 -7.676 -0.629 7.225 1.00 0.00 O ATOM 0 H GLY A 85 -7.645 -3.391 4.057 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -7.568 -3.397 6.332 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -6.117 -2.415 6.318 1.00 0.00 H new ATOM 1333 N SER A 86 -8.931 -0.993 5.392 1.00 0.00 N ATOM 1334 CA SER A 86 -9.782 0.165 5.635 1.00 0.00 C ATOM 1335 C SER A 86 -11.258 -0.166 5.490 1.00 0.00 C ATOM 1336 O SER A 86 -11.647 -1.099 4.788 1.00 0.00 O ATOM 1337 CB SER A 86 -9.430 1.316 4.692 1.00 0.00 C ATOM 1338 OG SER A 86 -8.091 1.740 4.878 1.00 0.00 O ATOM 0 H SER A 86 -9.165 -1.528 4.556 1.00 0.00 H new ATOM 0 HA SER A 86 -9.598 0.469 6.665 1.00 0.00 H new ATOM 0 HB2 SER A 86 -9.574 1.000 3.659 1.00 0.00 H new ATOM 0 HB3 SER A 86 -10.107 2.153 4.867 1.00 0.00 H new ATOM 0 HG SER A 86 -7.865 2.414 4.203 1.00 0.00 H new ATOM 1344 N GLN A 87 -12.063 0.628 6.175 1.00 0.00 N ATOM 1345 CA GLN A 87 -13.505 0.473 6.150 1.00 0.00 C ATOM 1346 C GLN A 87 -14.128 1.614 5.352 1.00 0.00 C ATOM 1347 O GLN A 87 -13.774 2.777 5.539 1.00 0.00 O ATOM 1348 CB GLN A 87 -14.056 0.434 7.583 1.00 0.00 C ATOM 1349 CG GLN A 87 -15.535 0.776 7.700 1.00 0.00 C ATOM 1350 CD GLN A 87 -15.768 2.260 7.895 1.00 0.00 C ATOM 1351 OE1 GLN A 87 -15.983 2.972 6.796 1.00 0.00 O flip ATOM 1352 NE2 GLN A 87 -15.767 2.759 9.020 1.00 0.00 N flip ATOM 0 H GLN A 87 -11.736 1.395 6.762 1.00 0.00 H new ATOM 0 HA GLN A 87 -13.763 -0.469 5.665 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -13.893 -0.562 7.995 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -13.485 1.130 8.197 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -16.055 0.444 6.801 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -15.967 0.229 8.538 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -15.597 2.173 9.838 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -15.936 3.758 9.135 1.00 0.00 H new ATOM 1361 N ILE A 88 -15.044 1.272 4.453 1.00 0.00 N ATOM 1362 CA ILE A 88 -15.717 2.271 3.630 1.00 0.00 C ATOM 1363 C ILE A 88 -17.229 2.120 3.748 1.00 0.00 C ATOM 1364 O ILE A 88 -17.831 1.236 3.140 1.00 0.00 O ATOM 1365 CB ILE A 88 -15.288 2.180 2.152 1.00 0.00 C ATOM 1366 CG1 ILE A 88 -15.500 0.769 1.610 1.00 0.00 C ATOM 1367 CG2 ILE A 88 -13.830 2.589 2.001 1.00 0.00 C ATOM 1368 CD1 ILE A 88 -15.320 0.671 0.114 1.00 0.00 C ATOM 0 H ILE A 88 -15.338 0.311 4.275 1.00 0.00 H new ATOM 0 HA ILE A 88 -15.423 3.253 4.000 1.00 0.00 H new ATOM 0 HB ILE A 88 -15.908 2.864 1.573 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -14.800 0.091 2.098 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -16.504 0.434 1.871 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -13.540 2.520 0.953 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -13.702 3.615 2.347 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -13.202 1.925 2.596 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -15.485 -0.358 -0.206 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -16.037 1.324 -0.382 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -14.308 0.976 -0.151 1.00 0.00 H new ATOM 1380 N GLU A 89 -17.835 2.989 4.546 1.00 0.00 N ATOM 1381 CA GLU A 89 -19.268 2.947 4.776 1.00 0.00 C ATOM 1382 C GLU A 89 -20.061 3.472 3.587 1.00 0.00 C ATOM 1383 O GLU A 89 -19.704 4.480 2.976 1.00 0.00 O ATOM 1384 CB GLU A 89 -19.616 3.753 6.024 1.00 0.00 C ATOM 1385 CG GLU A 89 -19.523 2.949 7.308 1.00 0.00 C ATOM 1386 CD GLU A 89 -19.976 3.734 8.522 1.00 0.00 C ATOM 1387 OE1 GLU A 89 -19.181 4.552 9.030 1.00 0.00 O ATOM 1388 OE2 GLU A 89 -21.126 3.533 8.966 1.00 0.00 O ATOM 0 H GLU A 89 -17.351 3.735 5.046 1.00 0.00 H new ATOM 0 HA GLU A 89 -19.544 1.902 4.917 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -18.946 4.610 6.092 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -20.628 4.146 5.923 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -20.132 2.050 7.214 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -18.493 2.623 7.454 1.00 0.00 H new ATOM 1395 N PHE A 90 -21.144 2.772 3.272 1.00 0.00 N ATOM 1396 CA PHE A 90 -22.025 3.156 2.180 1.00 0.00 C ATOM 1397 C PHE A 90 -23.270 3.821 2.752 1.00 0.00 C ATOM 1398 O PHE A 90 -23.778 3.395 3.790 1.00 0.00 O ATOM 1399 CB PHE A 90 -22.408 1.930 1.351 1.00 0.00 C ATOM 1400 CG PHE A 90 -21.231 1.090 0.939 1.00 0.00 C ATOM 1401 CD1 PHE A 90 -20.738 0.107 1.786 1.00 0.00 C ATOM 1402 CD2 PHE A 90 -20.621 1.274 -0.294 1.00 0.00 C ATOM 1403 CE1 PHE A 90 -19.662 -0.672 1.410 1.00 0.00 C ATOM 1404 CE2 PHE A 90 -19.545 0.496 -0.673 1.00 0.00 C ATOM 1405 CZ PHE A 90 -19.064 -0.478 0.179 1.00 0.00 C ATOM 0 H PHE A 90 -21.434 1.927 3.764 1.00 0.00 H new ATOM 0 HA PHE A 90 -21.508 3.859 1.527 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -23.099 1.314 1.926 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -22.940 2.258 0.458 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -21.201 -0.050 2.749 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -20.992 2.035 -0.965 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -19.287 -1.433 2.078 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -19.080 0.649 -1.636 1.00 0.00 H new ATOM 0 HZ PHE A 90 -18.222 -1.087 -0.116 1.00 0.00 H new ATOM 1415 N SER A 91 -23.767 4.864 2.094 1.00 0.00 N ATOM 1416 CA SER A 91 -24.940 5.574 2.592 1.00 0.00 C ATOM 1417 C SER A 91 -26.040 5.681 1.544 1.00 0.00 C ATOM 1418 O SER A 91 -25.848 6.266 0.481 1.00 0.00 O ATOM 1419 CB SER A 91 -24.544 6.972 3.070 1.00 0.00 C ATOM 1420 OG SER A 91 -23.587 6.903 4.113 1.00 0.00 O ATOM 0 H SER A 91 -23.381 5.233 1.225 1.00 0.00 H new ATOM 0 HA SER A 91 -25.336 4.995 3.426 1.00 0.00 H new ATOM 0 HB2 SER A 91 -24.137 7.543 2.236 1.00 0.00 H new ATOM 0 HB3 SER A 91 -25.429 7.505 3.419 1.00 0.00 H new ATOM 0 HG SER A 91 -23.349 7.810 4.399 1.00 0.00 H new ATOM 1426 N CYS A 92 -27.198 5.120 1.871 1.00 0.00 N ATOM 1427 CA CYS A 92 -28.328 5.183 0.955 1.00 0.00 C ATOM 1428 C CYS A 92 -29.077 6.500 1.164 1.00 0.00 C ATOM 1429 O CYS A 92 -29.520 6.808 2.270 1.00 0.00 O ATOM 1430 CB CYS A 92 -29.260 3.980 1.133 1.00 0.00 C ATOM 1431 SG CYS A 92 -28.594 2.409 0.486 1.00 0.00 S ATOM 0 H CYS A 92 -27.377 4.626 2.745 1.00 0.00 H new ATOM 0 HA CYS A 92 -27.954 5.145 -0.068 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -29.478 3.859 2.194 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -30.206 4.192 0.635 1.00 0.00 H new ATOM 1436 N SER A 93 -29.186 7.272 0.087 1.00 0.00 N ATOM 1437 CA SER A 93 -29.842 8.586 0.109 1.00 0.00 C ATOM 1438 C SER A 93 -31.114 8.634 0.960 1.00 0.00 C ATOM 1439 O SER A 93 -31.694 7.614 1.315 1.00 0.00 O ATOM 1440 CB SER A 93 -30.188 9.025 -1.314 1.00 0.00 C ATOM 1441 OG SER A 93 -29.020 9.337 -2.051 1.00 0.00 O ATOM 0 H SER A 93 -28.823 7.009 -0.829 1.00 0.00 H new ATOM 0 HA SER A 93 -29.123 9.264 0.568 1.00 0.00 H new ATOM 0 HB2 SER A 93 -30.739 8.231 -1.819 1.00 0.00 H new ATOM 0 HB3 SER A 93 -30.843 9.895 -1.280 1.00 0.00 H new ATOM 0 HG SER A 93 -29.269 9.613 -2.958 1.00 0.00 H new ATOM 1447 N GLU A 94 -31.528 9.863 1.257 1.00 0.00 N ATOM 1448 CA GLU A 94 -32.729 10.157 2.041 1.00 0.00 C ATOM 1449 C GLU A 94 -33.824 9.094 1.932 1.00 0.00 C ATOM 1450 O GLU A 94 -34.033 8.316 2.863 1.00 0.00 O ATOM 1451 CB GLU A 94 -33.285 11.517 1.610 1.00 0.00 C ATOM 1452 CG GLU A 94 -34.672 11.812 2.151 1.00 0.00 C ATOM 1453 CD GLU A 94 -35.088 13.255 1.937 1.00 0.00 C ATOM 1454 OE1 GLU A 94 -35.583 13.573 0.836 1.00 0.00 O ATOM 1455 OE2 GLU A 94 -34.920 14.066 2.872 1.00 0.00 O ATOM 0 H GLU A 94 -31.030 10.700 0.955 1.00 0.00 H new ATOM 0 HA GLU A 94 -32.424 10.166 3.088 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -32.602 12.299 1.941 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -33.314 11.559 0.521 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -35.394 11.154 1.667 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -34.698 11.585 3.217 1.00 0.00 H new ATOM 1462 N GLY A 95 -34.515 9.061 0.806 1.00 0.00 N ATOM 1463 CA GLY A 95 -35.627 8.136 0.638 1.00 0.00 C ATOM 1464 C GLY A 95 -35.239 6.669 0.603 1.00 0.00 C ATOM 1465 O GLY A 95 -36.071 5.811 0.891 1.00 0.00 O ATOM 0 H GLY A 95 -34.330 9.658 -0.000 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -36.335 8.290 1.452 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -36.148 8.381 -0.288 1.00 0.00 H new ATOM 1469 N PHE A 96 -33.997 6.363 0.261 1.00 0.00 N ATOM 1470 CA PHE A 96 -33.580 4.966 0.174 1.00 0.00 C ATOM 1471 C PHE A 96 -32.621 4.615 1.308 1.00 0.00 C ATOM 1472 O PHE A 96 -31.638 5.310 1.535 1.00 0.00 O ATOM 1473 CB PHE A 96 -32.915 4.691 -1.177 1.00 0.00 C ATOM 1474 CG PHE A 96 -33.581 5.386 -2.332 1.00 0.00 C ATOM 1475 CD1 PHE A 96 -34.671 4.814 -2.967 1.00 0.00 C ATOM 1476 CD2 PHE A 96 -33.116 6.612 -2.780 1.00 0.00 C ATOM 1477 CE1 PHE A 96 -35.286 5.452 -4.028 1.00 0.00 C ATOM 1478 CE2 PHE A 96 -33.727 7.255 -3.840 1.00 0.00 C ATOM 1479 CZ PHE A 96 -34.813 6.673 -4.465 1.00 0.00 C ATOM 0 H PHE A 96 -33.271 7.045 0.043 1.00 0.00 H new ATOM 0 HA PHE A 96 -34.468 4.341 0.265 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -31.872 5.004 -1.129 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -32.917 3.617 -1.361 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -35.045 3.859 -2.629 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -32.267 7.070 -2.295 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -36.135 4.996 -4.514 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -33.356 8.211 -4.179 1.00 0.00 H new ATOM 0 HZ PHE A 96 -35.291 7.173 -5.294 1.00 0.00 H new ATOM 1489 N PHE A 97 -32.919 3.537 2.031 1.00 0.00 N ATOM 1490 CA PHE A 97 -32.063 3.104 3.134 1.00 0.00 C ATOM 1491 C PHE A 97 -31.118 2.005 2.676 1.00 0.00 C ATOM 1492 O PHE A 97 -31.239 1.478 1.570 1.00 0.00 O ATOM 1493 CB PHE A 97 -32.897 2.649 4.338 1.00 0.00 C ATOM 1494 CG PHE A 97 -33.689 1.391 4.117 1.00 0.00 C ATOM 1495 CD1 PHE A 97 -34.736 1.361 3.210 1.00 0.00 C ATOM 1496 CD2 PHE A 97 -33.396 0.241 4.833 1.00 0.00 C ATOM 1497 CE1 PHE A 97 -35.473 0.208 3.017 1.00 0.00 C ATOM 1498 CE2 PHE A 97 -34.132 -0.914 4.649 1.00 0.00 C ATOM 1499 CZ PHE A 97 -35.172 -0.931 3.739 1.00 0.00 C ATOM 0 H PHE A 97 -33.740 2.952 1.875 1.00 0.00 H new ATOM 0 HA PHE A 97 -31.464 3.957 3.453 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -32.231 2.498 5.187 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -33.583 3.451 4.610 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -34.979 2.250 2.647 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -32.583 0.248 5.543 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -36.283 0.197 2.303 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -33.895 -1.802 5.216 1.00 0.00 H new ATOM 0 HZ PHE A 97 -35.748 -1.833 3.593 1.00 0.00 H new ATOM 1509 N LEU A 98 -30.179 1.666 3.551 1.00 0.00 N ATOM 1510 CA LEU A 98 -29.181 0.657 3.236 1.00 0.00 C ATOM 1511 C LEU A 98 -29.613 -0.736 3.664 1.00 0.00 C ATOM 1512 O LEU A 98 -30.242 -0.925 4.706 1.00 0.00 O ATOM 1513 CB LEU A 98 -27.847 1.002 3.887 1.00 0.00 C ATOM 1514 CG LEU A 98 -26.683 0.110 3.454 1.00 0.00 C ATOM 1515 CD1 LEU A 98 -25.381 0.884 3.495 1.00 0.00 C ATOM 1516 CD2 LEU A 98 -26.604 -1.129 4.333 1.00 0.00 C ATOM 0 H LEU A 98 -30.090 2.075 4.481 1.00 0.00 H new ATOM 0 HA LEU A 98 -29.069 0.652 2.152 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -27.601 2.038 3.655 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -27.957 0.935 4.969 1.00 0.00 H new ATOM 0 HG LEU A 98 -26.856 -0.213 2.428 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -24.562 0.235 3.184 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -25.444 1.738 2.820 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -25.199 1.237 4.510 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -25.770 -1.752 4.010 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -26.453 -0.830 5.370 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -27.532 -1.694 4.249 1.00 0.00 H new ATOM 1528 N ILE A 99 -29.254 -1.704 2.833 1.00 0.00 N ATOM 1529 CA ILE A 99 -29.547 -3.116 3.061 1.00 0.00 C ATOM 1530 C ILE A 99 -28.548 -3.951 2.281 1.00 0.00 C ATOM 1531 O ILE A 99 -28.687 -4.181 1.079 1.00 0.00 O ATOM 1532 CB ILE A 99 -30.961 -3.500 2.579 1.00 0.00 C ATOM 1533 CG1 ILE A 99 -31.880 -2.282 2.575 1.00 0.00 C ATOM 1534 CG2 ILE A 99 -31.536 -4.601 3.457 1.00 0.00 C ATOM 1535 CD1 ILE A 99 -33.081 -2.428 1.667 1.00 0.00 C ATOM 0 H ILE A 99 -28.743 -1.530 1.967 1.00 0.00 H new ATOM 0 HA ILE A 99 -29.484 -3.299 4.134 1.00 0.00 H new ATOM 0 HB ILE A 99 -30.888 -3.872 1.557 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -32.225 -2.095 3.592 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -31.307 -1.407 2.267 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -32.534 -4.862 3.106 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -30.892 -5.479 3.408 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -31.594 -4.251 4.488 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -33.687 -1.523 1.717 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -32.745 -2.584 0.642 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -33.677 -3.282 1.987 1.00 0.00 H new ATOM 1547 N GLY A 100 -27.530 -4.389 3.011 1.00 0.00 N ATOM 1548 CA GLY A 100 -26.460 -5.185 2.445 1.00 0.00 C ATOM 1549 C GLY A 100 -25.316 -5.349 3.424 1.00 0.00 C ATOM 1550 O GLY A 100 -25.033 -6.449 3.896 1.00 0.00 O ATOM 0 H GLY A 100 -27.427 -4.201 4.008 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -26.844 -6.166 2.164 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -26.096 -4.712 1.533 1.00 0.00 H new ATOM 1554 N SER A 101 -24.672 -4.228 3.720 1.00 0.00 N ATOM 1555 CA SER A 101 -23.546 -4.173 4.644 1.00 0.00 C ATOM 1556 C SER A 101 -22.999 -2.754 4.654 1.00 0.00 C ATOM 1557 O SER A 101 -22.282 -2.355 3.735 1.00 0.00 O ATOM 1558 CB SER A 101 -22.449 -5.158 4.231 1.00 0.00 C ATOM 1559 OG SER A 101 -21.417 -5.209 5.202 1.00 0.00 O ATOM 0 H SER A 101 -24.919 -3.322 3.322 1.00 0.00 H new ATOM 0 HA SER A 101 -23.884 -4.453 5.642 1.00 0.00 H new ATOM 0 HB2 SER A 101 -22.878 -6.151 4.100 1.00 0.00 H new ATOM 0 HB3 SER A 101 -22.033 -4.861 3.268 1.00 0.00 H new ATOM 0 HG SER A 101 -20.706 -4.580 4.958 1.00 0.00 H new ATOM 1565 N THR A 102 -23.337 -1.989 5.686 1.00 0.00 N ATOM 1566 CA THR A 102 -22.908 -0.601 5.771 1.00 0.00 C ATOM 1567 C THR A 102 -21.398 -0.479 5.836 1.00 0.00 C ATOM 1568 O THR A 102 -20.856 0.619 5.716 1.00 0.00 O ATOM 1569 CB THR A 102 -23.512 0.111 6.998 1.00 0.00 C ATOM 1570 OG1 THR A 102 -23.189 -0.614 8.191 1.00 0.00 O ATOM 1571 CG2 THR A 102 -25.022 0.237 6.873 1.00 0.00 C ATOM 0 H THR A 102 -23.905 -2.306 6.472 1.00 0.00 H new ATOM 0 HA THR A 102 -23.269 -0.121 4.861 1.00 0.00 H new ATOM 0 HB THR A 102 -23.086 1.113 7.049 1.00 0.00 H new ATOM 0 HG1 THR A 102 -23.574 -0.156 8.967 1.00 0.00 H new ATOM 0 HG21 THR A 102 -25.419 0.743 7.753 1.00 0.00 H new ATOM 0 HG22 THR A 102 -25.266 0.814 5.981 1.00 0.00 H new ATOM 0 HG23 THR A 102 -25.465 -0.756 6.795 1.00 0.00 H new ATOM 1579 N THR A 103 -20.718 -1.594 6.030 1.00 0.00 N ATOM 1580 CA THR A 103 -19.274 -1.572 6.103 1.00 0.00 C ATOM 1581 C THR A 103 -18.660 -2.402 4.990 1.00 0.00 C ATOM 1582 O THR A 103 -19.295 -3.308 4.449 1.00 0.00 O ATOM 1583 CB THR A 103 -18.783 -2.065 7.462 1.00 0.00 C ATOM 1584 OG1 THR A 103 -19.238 -3.401 7.704 1.00 0.00 O ATOM 1585 CG2 THR A 103 -19.277 -1.141 8.561 1.00 0.00 C ATOM 0 H THR A 103 -21.140 -2.516 6.139 1.00 0.00 H new ATOM 0 HA THR A 103 -18.955 -0.537 5.978 1.00 0.00 H new ATOM 0 HB THR A 103 -17.693 -2.063 7.459 1.00 0.00 H new ATOM 0 HG1 THR A 103 -18.914 -3.704 8.578 1.00 0.00 H new ATOM 0 HG21 THR A 103 -18.921 -1.501 9.526 1.00 0.00 H new ATOM 0 HG22 THR A 103 -18.898 -0.134 8.387 1.00 0.00 H new ATOM 0 HG23 THR A 103 -20.367 -1.124 8.559 1.00 0.00 H new ATOM 1593 N SER A 104 -17.420 -2.083 4.652 1.00 0.00 N ATOM 1594 CA SER A 104 -16.674 -2.821 3.648 1.00 0.00 C ATOM 1595 C SER A 104 -15.201 -2.821 4.039 1.00 0.00 C ATOM 1596 O SER A 104 -14.558 -1.772 4.070 1.00 0.00 O ATOM 1597 CB SER A 104 -16.862 -2.206 2.261 1.00 0.00 C ATOM 1598 OG SER A 104 -16.146 -2.934 1.279 1.00 0.00 O ATOM 0 H SER A 104 -16.904 -1.306 5.066 1.00 0.00 H new ATOM 0 HA SER A 104 -17.045 -3.845 3.602 1.00 0.00 H new ATOM 0 HB2 SER A 104 -17.922 -2.192 2.007 1.00 0.00 H new ATOM 0 HB3 SER A 104 -16.522 -1.170 2.270 1.00 0.00 H new ATOM 0 HG SER A 104 -15.219 -2.619 1.250 1.00 0.00 H new ATOM 1604 N ARG A 105 -14.671 -4.000 4.336 1.00 0.00 N ATOM 1605 CA ARG A 105 -13.277 -4.141 4.754 1.00 0.00 C ATOM 1606 C ARG A 105 -12.415 -4.687 3.626 1.00 0.00 C ATOM 1607 O ARG A 105 -12.886 -5.443 2.780 1.00 0.00 O ATOM 1608 CB ARG A 105 -13.181 -5.069 5.965 1.00 0.00 C ATOM 1609 CG ARG A 105 -14.010 -4.610 7.152 1.00 0.00 C ATOM 1610 CD ARG A 105 -13.801 -5.518 8.354 1.00 0.00 C ATOM 1611 NE ARG A 105 -14.509 -5.039 9.536 1.00 0.00 N ATOM 1612 CZ ARG A 105 -14.279 -5.490 10.765 1.00 0.00 C ATOM 1613 NH1 ARG A 105 -13.362 -6.425 10.969 1.00 0.00 N ATOM 1614 NH2 ARG A 105 -14.967 -5.005 11.790 1.00 0.00 N ATOM 0 H ARG A 105 -15.187 -4.879 4.296 1.00 0.00 H new ATOM 0 HA ARG A 105 -12.908 -3.151 5.022 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -13.503 -6.068 5.672 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -12.138 -5.147 6.270 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -13.739 -3.587 7.414 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -15.065 -4.600 6.880 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -14.143 -6.524 8.111 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -12.736 -5.587 8.574 1.00 0.00 H new ATOM 0 HE ARG A 105 -15.220 -4.318 9.413 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -12.832 -6.799 10.182 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -13.187 -6.770 11.913 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -15.673 -4.285 11.635 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -14.790 -5.352 12.733 1.00 0.00 H new ATOM 1628 N CYS A 106 -11.142 -4.313 3.637 1.00 0.00 N ATOM 1629 CA CYS A 106 -10.209 -4.757 2.615 1.00 0.00 C ATOM 1630 C CYS A 106 -9.357 -5.907 3.122 1.00 0.00 C ATOM 1631 O CYS A 106 -8.584 -5.756 4.070 1.00 0.00 O ATOM 1632 CB CYS A 106 -9.312 -3.601 2.165 1.00 0.00 C ATOM 1633 SG CYS A 106 -9.798 -2.859 0.573 1.00 0.00 S ATOM 0 H CYS A 106 -10.734 -3.702 4.344 1.00 0.00 H new ATOM 0 HA CYS A 106 -10.790 -5.106 1.761 1.00 0.00 H new ATOM 0 HB2 CYS A 106 -9.322 -2.827 2.933 1.00 0.00 H new ATOM 0 HB3 CYS A 106 -8.286 -3.960 2.088 1.00 0.00 H new ATOM 1638 N GLU A 107 -9.510 -7.057 2.486 1.00 0.00 N ATOM 1639 CA GLU A 107 -8.777 -8.251 2.873 1.00 0.00 C ATOM 1640 C GLU A 107 -7.901 -8.723 1.721 1.00 0.00 C ATOM 1641 O GLU A 107 -7.831 -8.062 0.688 1.00 0.00 O ATOM 1642 CB GLU A 107 -9.767 -9.339 3.289 1.00 0.00 C ATOM 1643 CG GLU A 107 -9.149 -10.460 4.107 1.00 0.00 C ATOM 1644 CD GLU A 107 -8.455 -9.955 5.357 1.00 0.00 C ATOM 1645 OE1 GLU A 107 -9.126 -9.842 6.405 1.00 0.00 O ATOM 1646 OE2 GLU A 107 -7.240 -9.671 5.289 1.00 0.00 O ATOM 0 H GLU A 107 -10.140 -7.189 1.694 1.00 0.00 H new ATOM 0 HA GLU A 107 -8.128 -8.025 3.719 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -10.570 -8.882 3.867 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -10.220 -9.764 2.394 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -9.926 -11.170 4.389 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -8.431 -11.001 3.491 1.00 0.00 H new ATOM 1653 N VAL A 108 -7.215 -9.847 1.903 1.00 0.00 N ATOM 1654 CA VAL A 108 -6.354 -10.365 0.851 1.00 0.00 C ATOM 1655 C VAL A 108 -6.566 -11.847 0.575 1.00 0.00 C ATOM 1656 O VAL A 108 -6.539 -12.686 1.477 1.00 0.00 O ATOM 1657 CB VAL A 108 -4.868 -10.100 1.153 1.00 0.00 C ATOM 1658 CG1 VAL A 108 -3.968 -10.938 0.256 1.00 0.00 C ATOM 1659 CG2 VAL A 108 -4.570 -8.626 0.968 1.00 0.00 C ATOM 0 H VAL A 108 -7.238 -10.407 2.755 1.00 0.00 H new ATOM 0 HA VAL A 108 -6.640 -9.822 -0.050 1.00 0.00 H new ATOM 0 HB VAL A 108 -4.666 -10.385 2.186 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -2.924 -10.730 0.492 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -4.173 -11.996 0.421 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -4.161 -10.689 -0.788 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -3.518 -8.438 1.182 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -4.789 -8.337 -0.060 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -5.189 -8.041 1.649 1.00 0.00 H new ATOM 1669 N GLN A 109 -6.780 -12.139 -0.703 1.00 0.00 N ATOM 1670 CA GLN A 109 -6.983 -13.503 -1.166 1.00 0.00 C ATOM 1671 C GLN A 109 -5.957 -13.859 -2.236 1.00 0.00 C ATOM 1672 O GLN A 109 -5.716 -13.079 -3.156 1.00 0.00 O ATOM 1673 CB GLN A 109 -8.402 -13.663 -1.718 1.00 0.00 C ATOM 1674 CG GLN A 109 -9.481 -13.251 -0.729 1.00 0.00 C ATOM 1675 CD GLN A 109 -10.871 -13.256 -1.337 1.00 0.00 C ATOM 1676 OE1 GLN A 109 -11.160 -14.028 -2.250 1.00 0.00 O ATOM 1677 NE2 GLN A 109 -11.740 -12.388 -0.828 1.00 0.00 N ATOM 0 H GLN A 109 -6.817 -11.438 -1.443 1.00 0.00 H new ATOM 0 HA GLN A 109 -6.854 -14.182 -0.323 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -8.502 -13.065 -2.624 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -8.558 -14.703 -2.004 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -9.461 -13.927 0.126 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -9.259 -12.253 -0.351 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -11.456 -11.767 -0.071 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -12.691 -12.344 -1.195 1.00 0.00 H new ATOM 1686 N ASP A 110 -5.358 -15.040 -2.104 1.00 0.00 N ATOM 1687 CA ASP A 110 -4.350 -15.502 -3.051 1.00 0.00 C ATOM 1688 C ASP A 110 -3.113 -14.613 -3.018 1.00 0.00 C ATOM 1689 O ASP A 110 -2.122 -14.936 -2.363 1.00 0.00 O ATOM 1690 CB ASP A 110 -4.933 -15.552 -4.463 1.00 0.00 C ATOM 1691 CG ASP A 110 -5.888 -16.714 -4.653 1.00 0.00 C ATOM 1692 OD1 ASP A 110 -7.044 -16.612 -4.191 1.00 0.00 O ATOM 1693 OD2 ASP A 110 -5.480 -17.725 -5.262 1.00 0.00 O ATOM 0 H ASP A 110 -5.555 -15.695 -1.348 1.00 0.00 H new ATOM 0 HA ASP A 110 -4.048 -16.507 -2.758 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -5.455 -14.618 -4.671 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -4.121 -15.631 -5.186 1.00 0.00 H new ATOM 1698 N ARG A 111 -3.177 -13.493 -3.727 1.00 0.00 N ATOM 1699 CA ARG A 111 -2.063 -12.558 -3.781 1.00 0.00 C ATOM 1700 C ARG A 111 -2.486 -11.221 -4.382 1.00 0.00 C ATOM 1701 O ARG A 111 -1.668 -10.310 -4.524 1.00 0.00 O ATOM 1702 CB ARG A 111 -0.923 -13.158 -4.600 1.00 0.00 C ATOM 1703 CG ARG A 111 -1.275 -13.361 -6.064 1.00 0.00 C ATOM 1704 CD ARG A 111 -0.198 -14.145 -6.795 1.00 0.00 C ATOM 1705 NE ARG A 111 1.083 -13.444 -6.800 1.00 0.00 N ATOM 1706 CZ ARG A 111 2.183 -13.924 -7.372 1.00 0.00 C ATOM 1707 NH1 ARG A 111 2.159 -15.105 -7.976 1.00 0.00 N ATOM 1708 NH2 ARG A 111 3.309 -13.225 -7.338 1.00 0.00 N ATOM 0 H ARG A 111 -3.991 -13.211 -4.273 1.00 0.00 H new ATOM 0 HA ARG A 111 -1.725 -12.376 -2.761 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -0.053 -12.506 -4.530 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -0.639 -14.117 -4.166 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -2.225 -13.889 -6.140 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -1.409 -12.392 -6.544 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -0.076 -15.120 -6.322 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -0.516 -14.326 -7.822 1.00 0.00 H new ATOM 0 HE ARG A 111 1.137 -12.536 -6.339 1.00 0.00 H new ATOM 0 HH11 ARG A 111 1.295 -15.647 -8.002 1.00 0.00 H new ATOM 0 HH12 ARG A 111 3.004 -15.471 -8.414 1.00 0.00 H new ATOM 0 HH21 ARG A 111 3.332 -12.318 -6.873 1.00 0.00 H new ATOM 0 HH22 ARG A 111 4.152 -13.595 -7.777 1.00 0.00 H new ATOM 1722 N GLY A 112 -3.761 -11.105 -4.732 1.00 0.00 N ATOM 1723 CA GLY A 112 -4.253 -9.870 -5.314 1.00 0.00 C ATOM 1724 C GLY A 112 -5.282 -9.190 -4.446 1.00 0.00 C ATOM 1725 O GLY A 112 -6.108 -8.423 -4.938 1.00 0.00 O ATOM 0 H GLY A 112 -4.460 -11.840 -4.624 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -3.416 -9.191 -5.478 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -4.689 -10.081 -6.290 1.00 0.00 H new ATOM 1729 N VAL A 113 -5.200 -9.460 -3.145 1.00 0.00 N ATOM 1730 CA VAL A 113 -6.111 -8.894 -2.145 1.00 0.00 C ATOM 1731 C VAL A 113 -7.578 -9.072 -2.531 1.00 0.00 C ATOM 1732 O VAL A 113 -7.953 -8.991 -3.699 1.00 0.00 O ATOM 1733 CB VAL A 113 -5.809 -7.402 -1.838 1.00 0.00 C ATOM 1734 CG1 VAL A 113 -4.843 -6.818 -2.849 1.00 0.00 C ATOM 1735 CG2 VAL A 113 -7.081 -6.574 -1.767 1.00 0.00 C ATOM 0 H VAL A 113 -4.495 -10.082 -2.749 1.00 0.00 H new ATOM 0 HA VAL A 113 -5.932 -9.462 -1.232 1.00 0.00 H new ATOM 0 HB VAL A 113 -5.336 -7.365 -0.857 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -4.651 -5.773 -2.607 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -3.906 -7.375 -2.821 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -5.276 -6.886 -3.847 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -6.828 -5.536 -1.550 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -7.604 -6.628 -2.722 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -7.725 -6.963 -0.978 1.00 0.00 H new ATOM 1745 N GLY A 114 -8.404 -9.319 -1.527 1.00 0.00 N ATOM 1746 CA GLY A 114 -9.807 -9.519 -1.810 1.00 0.00 C ATOM 1747 C GLY A 114 -10.709 -8.527 -1.099 1.00 0.00 C ATOM 1748 O GLY A 114 -10.409 -8.110 0.020 1.00 0.00 O ATOM 0 H GLY A 114 -8.137 -9.383 -0.545 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -9.969 -9.441 -2.885 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -10.089 -10.531 -1.518 1.00 0.00 H new ATOM 1752 N TRP A 115 -11.813 -8.143 -1.732 1.00 0.00 N ATOM 1753 CA TRP A 115 -12.759 -7.220 -1.112 1.00 0.00 C ATOM 1754 C TRP A 115 -13.619 -7.976 -0.102 1.00 0.00 C ATOM 1755 O TRP A 115 -13.410 -9.167 0.130 1.00 0.00 O ATOM 1756 CB TRP A 115 -13.667 -6.553 -2.158 1.00 0.00 C ATOM 1757 CG TRP A 115 -13.498 -5.063 -2.259 1.00 0.00 C ATOM 1758 CD1 TRP A 115 -13.441 -4.324 -3.407 1.00 0.00 C ATOM 1759 CD2 TRP A 115 -13.370 -4.129 -1.178 1.00 0.00 C ATOM 1760 NE1 TRP A 115 -13.290 -2.991 -3.104 1.00 0.00 N ATOM 1761 CE2 TRP A 115 -13.241 -2.847 -1.746 1.00 0.00 C ATOM 1762 CE3 TRP A 115 -13.352 -4.248 0.213 1.00 0.00 C ATOM 1763 CZ2 TRP A 115 -13.097 -1.700 -0.973 1.00 0.00 C ATOM 1764 CZ3 TRP A 115 -13.209 -3.107 0.979 1.00 0.00 C ATOM 1765 CH2 TRP A 115 -13.084 -1.848 0.384 1.00 0.00 C ATOM 0 H TRP A 115 -12.074 -8.454 -2.668 1.00 0.00 H new ATOM 0 HA TRP A 115 -12.188 -6.438 -0.612 1.00 0.00 H new ATOM 0 HB2 TRP A 115 -13.467 -6.997 -3.133 1.00 0.00 H new ATOM 0 HB3 TRP A 115 -14.706 -6.774 -1.915 1.00 0.00 H new ATOM 0 HD1 TRP A 115 -13.505 -4.728 -4.407 1.00 0.00 H new ATOM 0 HE1 TRP A 115 -13.225 -2.233 -3.783 1.00 0.00 H new ATOM 0 HE3 TRP A 115 -13.448 -5.216 0.682 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 -12.999 -0.726 -1.430 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 -13.194 -3.189 2.056 1.00 0.00 H new ATOM 0 HH2 TRP A 115 -12.975 -0.975 1.011 1.00 0.00 H new ATOM 1776 N SER A 116 -14.581 -7.285 0.499 1.00 0.00 N ATOM 1777 CA SER A 116 -15.473 -7.912 1.471 1.00 0.00 C ATOM 1778 C SER A 116 -16.927 -7.751 1.043 1.00 0.00 C ATOM 1779 O SER A 116 -17.732 -8.674 1.174 1.00 0.00 O ATOM 1780 CB SER A 116 -15.265 -7.310 2.862 1.00 0.00 C ATOM 1781 OG SER A 116 -13.997 -7.662 3.387 1.00 0.00 O ATOM 0 H SER A 116 -14.764 -6.295 0.332 1.00 0.00 H new ATOM 0 HA SER A 116 -15.236 -8.975 1.513 1.00 0.00 H new ATOM 0 HB2 SER A 116 -15.351 -6.225 2.808 1.00 0.00 H new ATOM 0 HB3 SER A 116 -16.049 -7.659 3.533 1.00 0.00 H new ATOM 0 HG SER A 116 -13.355 -6.945 3.200 1.00 0.00 H new ATOM 1787 N HIS A 117 -17.255 -6.568 0.529 1.00 0.00 N ATOM 1788 CA HIS A 117 -18.607 -6.276 0.069 1.00 0.00 C ATOM 1789 C HIS A 117 -18.624 -4.993 -0.757 1.00 0.00 C ATOM 1790 O HIS A 117 -17.999 -4.000 -0.384 1.00 0.00 O ATOM 1791 CB HIS A 117 -19.562 -6.140 1.256 1.00 0.00 C ATOM 1792 CG HIS A 117 -21.004 -6.081 0.856 1.00 0.00 C ATOM 1793 ND1 HIS A 117 -21.670 -4.900 0.604 1.00 0.00 N ATOM 1794 CD2 HIS A 117 -21.909 -7.069 0.655 1.00 0.00 C ATOM 1795 CE1 HIS A 117 -22.919 -5.163 0.267 1.00 0.00 C ATOM 1796 NE2 HIS A 117 -23.090 -6.472 0.290 1.00 0.00 N ATOM 0 H HIS A 117 -16.599 -5.794 0.421 1.00 0.00 H new ATOM 0 HA HIS A 117 -18.939 -7.105 -0.556 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -19.414 -6.984 1.930 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -19.310 -5.238 1.814 1.00 0.00 H new ATOM 0 HD1 HIS A 117 -21.261 -3.968 0.668 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -21.734 -8.129 0.762 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -23.673 -4.432 0.015 1.00 0.00 H new ATOM 1805 N PRO A 118 -19.341 -4.997 -1.895 1.00 0.00 N ATOM 1806 CA PRO A 118 -19.432 -3.840 -2.769 1.00 0.00 C ATOM 1807 C PRO A 118 -20.630 -2.951 -2.434 1.00 0.00 C ATOM 1808 O PRO A 118 -21.055 -2.874 -1.281 1.00 0.00 O ATOM 1809 CB PRO A 118 -19.608 -4.487 -4.139 1.00 0.00 C ATOM 1810 CG PRO A 118 -20.345 -5.763 -3.877 1.00 0.00 C ATOM 1811 CD PRO A 118 -20.119 -6.126 -2.425 1.00 0.00 C ATOM 0 HA PRO A 118 -18.568 -3.180 -2.689 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -20.169 -3.839 -4.812 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -18.644 -4.678 -4.611 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -21.409 -5.641 -4.081 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -19.984 -6.556 -4.532 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -21.062 -6.246 -1.892 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -19.576 -7.066 -2.328 1.00 0.00 H new ATOM 1819 N LEU A 119 -21.165 -2.278 -3.449 1.00 0.00 N ATOM 1820 CA LEU A 119 -22.312 -1.398 -3.283 1.00 0.00 C ATOM 1821 C LEU A 119 -23.533 -2.170 -2.783 1.00 0.00 C ATOM 1822 O LEU A 119 -23.977 -3.119 -3.427 1.00 0.00 O ATOM 1823 CB LEU A 119 -22.641 -0.731 -4.619 1.00 0.00 C ATOM 1824 CG LEU A 119 -21.440 -0.276 -5.452 1.00 0.00 C ATOM 1825 CD1 LEU A 119 -20.359 0.285 -4.554 1.00 0.00 C ATOM 1826 CD2 LEU A 119 -20.906 -1.415 -6.306 1.00 0.00 C ATOM 0 H LEU A 119 -20.815 -2.329 -4.406 1.00 0.00 H new ATOM 0 HA LEU A 119 -22.058 -0.641 -2.541 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -23.230 -1.428 -5.216 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -23.273 0.135 -4.425 1.00 0.00 H new ATOM 0 HG LEU A 119 -21.769 0.515 -6.126 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -19.512 0.604 -5.161 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -20.752 1.138 -4.001 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -20.034 -0.483 -3.852 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -20.053 -1.065 -6.888 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -20.593 -2.237 -5.662 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -21.688 -1.761 -6.981 1.00 0.00 H new ATOM 1838 N PRO A 120 -24.093 -1.770 -1.626 1.00 0.00 N ATOM 1839 CA PRO A 120 -25.274 -2.425 -1.060 1.00 0.00 C ATOM 1840 C PRO A 120 -26.522 -2.134 -1.883 1.00 0.00 C ATOM 1841 O PRO A 120 -26.428 -1.603 -2.990 1.00 0.00 O ATOM 1842 CB PRO A 120 -25.392 -1.808 0.335 1.00 0.00 C ATOM 1843 CG PRO A 120 -24.733 -0.478 0.214 1.00 0.00 C ATOM 1844 CD PRO A 120 -23.622 -0.653 -0.785 1.00 0.00 C ATOM 0 HA PRO A 120 -25.180 -3.511 -1.044 1.00 0.00 H new ATOM 0 HB2 PRO A 120 -26.434 -1.708 0.637 1.00 0.00 H new ATOM 0 HB3 PRO A 120 -24.900 -2.427 1.085 1.00 0.00 H new ATOM 0 HG2 PRO A 120 -25.442 0.279 -0.120 1.00 0.00 H new ATOM 0 HG3 PRO A 120 -24.343 -0.147 1.177 1.00 0.00 H new ATOM 0 HD2 PRO A 120 -23.462 0.252 -1.371 1.00 0.00 H new ATOM 0 HD3 PRO A 120 -22.676 -0.888 -0.297 1.00 0.00 H new ATOM 1852 N GLN A 121 -27.689 -2.475 -1.349 1.00 0.00 N ATOM 1853 CA GLN A 121 -28.942 -2.244 -2.045 1.00 0.00 C ATOM 1854 C GLN A 121 -29.687 -1.052 -1.453 1.00 0.00 C ATOM 1855 O GLN A 121 -30.105 -1.082 -0.296 1.00 0.00 O ATOM 1856 CB GLN A 121 -29.816 -3.493 -1.970 1.00 0.00 C ATOM 1857 CG GLN A 121 -29.502 -4.524 -3.044 1.00 0.00 C ATOM 1858 CD GLN A 121 -30.538 -5.629 -3.119 1.00 0.00 C ATOM 1859 OE1 GLN A 121 -31.158 -5.943 -1.987 1.00 0.00 O flip ATOM 1860 NE2 GLN A 121 -30.778 -6.197 -4.185 1.00 0.00 N flip ATOM 0 H GLN A 121 -27.790 -2.913 -0.434 1.00 0.00 H new ATOM 0 HA GLN A 121 -28.717 -2.021 -3.088 1.00 0.00 H new ATOM 0 HB2 GLN A 121 -29.693 -3.953 -0.990 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -30.862 -3.199 -2.055 1.00 0.00 H new ATOM 0 HG2 GLN A 121 -29.438 -4.026 -4.011 1.00 0.00 H new ATOM 0 HG3 GLN A 121 -28.524 -4.962 -2.846 1.00 0.00 H new ATOM 0 HE21 GLN A 121 -30.279 -5.925 -5.032 1.00 0.00 H new ATOM 0 HE22 GLN A 121 -31.476 -6.940 -4.221 1.00 0.00 H new ATOM 1869 N CYS A 122 -29.848 -0.004 -2.255 1.00 0.00 N ATOM 1870 CA CYS A 122 -30.556 1.188 -1.804 1.00 0.00 C ATOM 1871 C CYS A 122 -31.994 1.161 -2.311 1.00 0.00 C ATOM 1872 O CYS A 122 -32.252 1.368 -3.497 1.00 0.00 O ATOM 1873 CB CYS A 122 -29.851 2.461 -2.282 1.00 0.00 C ATOM 1874 SG CYS A 122 -28.248 2.795 -1.477 1.00 0.00 S ATOM 0 H CYS A 122 -29.501 0.044 -3.213 1.00 0.00 H new ATOM 0 HA CYS A 122 -30.559 1.193 -0.714 1.00 0.00 H new ATOM 0 HB2 CYS A 122 -29.694 2.390 -3.358 1.00 0.00 H new ATOM 0 HB3 CYS A 122 -30.511 3.311 -2.112 1.00 0.00 H new ATOM 1879 N GLU A 123 -32.925 0.904 -1.400 1.00 0.00 N ATOM 1880 CA GLU A 123 -34.343 0.835 -1.739 1.00 0.00 C ATOM 1881 C GLU A 123 -35.129 1.849 -0.918 1.00 0.00 C ATOM 1882 O GLU A 123 -34.825 2.103 0.247 1.00 0.00 O ATOM 1883 CB GLU A 123 -34.879 -0.575 -1.483 1.00 0.00 C ATOM 1884 CG GLU A 123 -36.321 -0.770 -1.925 1.00 0.00 C ATOM 1885 CD GLU A 123 -36.507 -0.563 -3.415 1.00 0.00 C ATOM 1886 OE1 GLU A 123 -36.177 -1.485 -4.189 1.00 0.00 O ATOM 1887 OE2 GLU A 123 -36.985 0.523 -3.809 1.00 0.00 O ATOM 0 H GLU A 123 -32.722 0.739 -0.414 1.00 0.00 H new ATOM 0 HA GLU A 123 -34.461 1.070 -2.797 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -34.248 -1.294 -2.005 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -34.801 -0.796 -0.418 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -36.646 -1.776 -1.658 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -36.961 -0.074 -1.383 1.00 0.00 H new ATOM 1894 N ILE A 124 -36.144 2.420 -1.558 1.00 0.00 N ATOM 1895 CA ILE A 124 -36.984 3.430 -0.931 1.00 0.00 C ATOM 1896 C ILE A 124 -37.583 2.927 0.378 1.00 0.00 C ATOM 1897 O ILE A 124 -37.785 1.726 0.562 1.00 0.00 O ATOM 1898 CB ILE A 124 -38.126 3.864 -1.873 1.00 0.00 C ATOM 1899 CG1 ILE A 124 -38.810 5.125 -1.343 1.00 0.00 C ATOM 1900 CG2 ILE A 124 -39.136 2.737 -2.040 1.00 0.00 C ATOM 1901 CD1 ILE A 124 -37.968 6.374 -1.484 1.00 0.00 C ATOM 0 H ILE A 124 -36.405 2.197 -2.518 1.00 0.00 H new ATOM 0 HA ILE A 124 -36.343 4.286 -0.720 1.00 0.00 H new ATOM 0 HB ILE A 124 -37.699 4.091 -2.850 1.00 0.00 H new ATOM 0 HG12 ILE A 124 -39.751 5.269 -1.874 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -39.057 4.980 -0.291 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -39.935 3.060 -2.708 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -38.640 1.864 -2.464 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -39.557 2.479 -1.068 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -38.516 7.229 -1.088 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -37.038 6.250 -0.929 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -37.743 6.544 -2.537 1.00 0.00 H new ATOM 1913 N LEU A 125 -37.863 3.856 1.285 1.00 0.00 N ATOM 1914 CA LEU A 125 -38.445 3.520 2.577 1.00 0.00 C ATOM 1915 C LEU A 125 -39.898 3.084 2.416 1.00 0.00 C ATOM 1916 O LEU A 125 -40.361 2.837 1.301 1.00 0.00 O ATOM 1917 CB LEU A 125 -38.360 4.720 3.522 1.00 0.00 C ATOM 1918 CG LEU A 125 -36.941 5.167 3.880 1.00 0.00 C ATOM 1919 CD1 LEU A 125 -36.973 6.478 4.651 1.00 0.00 C ATOM 1920 CD2 LEU A 125 -36.232 4.090 4.689 1.00 0.00 C ATOM 0 H LEU A 125 -37.695 4.853 1.147 1.00 0.00 H new ATOM 0 HA LEU A 125 -37.880 2.691 3.003 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -38.884 5.560 3.066 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -38.890 4.476 4.443 1.00 0.00 H new ATOM 0 HG LEU A 125 -36.386 5.325 2.955 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -35.955 6.780 4.897 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -37.443 7.248 4.039 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -37.544 6.346 5.570 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -35.224 4.424 4.935 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -36.786 3.901 5.608 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -36.177 3.172 4.104 1.00 0.00 H new