USER MOD reduce.3.24.130724 H: found=0, std=0, add=695, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 693 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 73 CYS SG : rot 74:sc= 0.645 USER MOD Set 1.2: A 74 ASN : amide:sc= -1.38 K(o=-0.74,f=-7.2!) USER MOD Set 2.1: A 35 GLN :FLIP amide:sc= 0.453 F(o=-0.83,f=0.95) USER MOD Set 2.2: A 39 LYS NZ :NH3+ -153:sc= 0.497 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 140:sc= 0.0109 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 20:sc= 0.858 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 36:sc= 0.473 USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot -116:sc= 0.0129 USER MOD Single : A 20 THR OG1 : rot 15:sc= 1.09 USER MOD Single : A 21 CYS SG : rot 130:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.399) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc=-0.00575 USER MOD Single : A 30 GLN :FLIP amide:sc= -1.37 F(o=-2.1!,f=-1.4) USER MOD Single : A 32 LYS NZ :NH3+ -164:sc= -0.0362 (180deg=-0.238) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 CYS SG : rot -120:sc= -2.54! USER MOD Single : A 43 GLN : amide:sc= 0.0274 K(o=0.027,f=-0.75) USER MOD Single : A 44 ASN : amide:sc= -3.37! C(o=-3.4!,f=-11!) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.179 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN :FLIP amide:sc= -2.71! C(o=-3.5!,f=-2.7!) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 140:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ -145:sc= -0.0124 (180deg=-0.752) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -0.876 X(o=-0.88,f=-0.42) USER MOD Single : A 83 GLN : amide:sc= -0.058 K(o=-0.058,f=-1.7!) USER MOD Single : A 84 LYS NZ :NH3+ 154:sc= 1.17 (180deg=0.766) USER MOD Single : A 89 SER OG : rot 130:sc= -1.5 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 18.941 14.821 -18.558 1.00 0.00 N ATOM 2 CA GLY A 1 17.941 14.892 -17.508 1.00 0.00 C ATOM 3 C GLY A 1 16.579 15.302 -18.031 1.00 0.00 C ATOM 4 O GLY A 1 16.477 16.149 -18.919 1.00 0.00 O ATOM 0 H1 GLY A 1 19.841 15.205 -18.206 1.00 0.00 H new ATOM 0 H2 GLY A 1 19.075 13.830 -18.843 1.00 0.00 H new ATOM 0 H3 GLY A 1 18.624 15.377 -19.378 1.00 0.00 H new ATOM 0 HA2 GLY A 1 17.862 13.921 -17.020 1.00 0.00 H new ATOM 0 HA3 GLY A 1 18.265 15.605 -16.750 1.00 0.00 H new ATOM 8 N SER A 2 15.530 14.700 -17.481 1.00 0.00 N ATOM 9 CA SER A 2 14.167 15.003 -17.902 1.00 0.00 C ATOM 10 C SER A 2 13.749 16.392 -17.428 1.00 0.00 C ATOM 11 O SER A 2 14.455 17.033 -16.650 1.00 0.00 O ATOM 12 CB SER A 2 13.196 13.953 -17.357 1.00 0.00 C ATOM 13 OG SER A 2 13.173 13.967 -15.940 1.00 0.00 O ATOM 0 H SER A 2 15.597 13.999 -16.743 1.00 0.00 H new ATOM 0 HA SER A 2 14.137 14.984 -18.991 1.00 0.00 H new ATOM 0 HB2 SER A 2 12.194 14.145 -17.742 1.00 0.00 H new ATOM 0 HB3 SER A 2 13.489 12.964 -17.709 1.00 0.00 H new ATOM 0 HG SER A 2 12.544 13.289 -15.616 1.00 0.00 H new ATOM 19 N SER A 3 12.596 16.851 -17.905 1.00 0.00 N ATOM 20 CA SER A 3 12.085 18.165 -17.534 1.00 0.00 C ATOM 21 C SER A 3 10.576 18.242 -17.749 1.00 0.00 C ATOM 22 O SER A 3 9.971 17.330 -18.311 1.00 0.00 O ATOM 23 CB SER A 3 12.783 19.256 -18.350 1.00 0.00 C ATOM 24 OG SER A 3 14.079 19.522 -17.841 1.00 0.00 O ATOM 0 H SER A 3 11.999 16.332 -18.549 1.00 0.00 H new ATOM 0 HA SER A 3 12.293 18.323 -16.476 1.00 0.00 H new ATOM 0 HB2 SER A 3 12.855 18.945 -19.392 1.00 0.00 H new ATOM 0 HB3 SER A 3 12.186 20.168 -18.330 1.00 0.00 H new ATOM 0 HG SER A 3 14.377 18.765 -17.294 1.00 0.00 H new ATOM 30 N GLY A 4 9.975 19.338 -17.296 1.00 0.00 N ATOM 31 CA GLY A 4 8.542 19.514 -17.447 1.00 0.00 C ATOM 32 C GLY A 4 8.057 20.832 -16.877 1.00 0.00 C ATOM 33 O GLY A 4 7.985 21.000 -15.659 1.00 0.00 O ATOM 0 H GLY A 4 10.454 20.107 -16.827 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.282 19.461 -18.504 1.00 0.00 H new ATOM 0 HA3 GLY A 4 8.024 18.694 -16.950 1.00 0.00 H new ATOM 37 N SER A 5 7.725 21.770 -17.758 1.00 0.00 N ATOM 38 CA SER A 5 7.249 23.082 -17.336 1.00 0.00 C ATOM 39 C SER A 5 5.727 23.103 -17.241 1.00 0.00 C ATOM 40 O SER A 5 5.163 23.362 -16.177 1.00 0.00 O ATOM 41 CB SER A 5 7.726 24.159 -18.312 1.00 0.00 C ATOM 42 OG SER A 5 9.094 24.466 -18.104 1.00 0.00 O ATOM 0 H SER A 5 7.777 21.646 -18.769 1.00 0.00 H new ATOM 0 HA SER A 5 7.660 23.290 -16.348 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.578 23.817 -19.336 1.00 0.00 H new ATOM 0 HB3 SER A 5 7.125 25.060 -18.187 1.00 0.00 H new ATOM 0 HG SER A 5 9.375 25.156 -18.741 1.00 0.00 H new ATOM 48 N SER A 6 5.067 22.830 -18.362 1.00 0.00 N ATOM 49 CA SER A 6 3.609 22.821 -18.408 1.00 0.00 C ATOM 50 C SER A 6 3.056 21.512 -17.853 1.00 0.00 C ATOM 51 O SER A 6 3.172 20.460 -18.481 1.00 0.00 O ATOM 52 CB SER A 6 3.122 23.027 -19.843 1.00 0.00 C ATOM 53 OG SER A 6 3.690 22.067 -20.717 1.00 0.00 O ATOM 0 H SER A 6 5.518 22.612 -19.250 1.00 0.00 H new ATOM 0 HA SER A 6 3.245 23.640 -17.788 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.035 22.955 -19.875 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.385 24.030 -20.179 1.00 0.00 H new ATOM 0 HG SER A 6 3.775 21.209 -20.250 1.00 0.00 H new ATOM 59 N GLY A 7 2.453 21.585 -16.670 1.00 0.00 N ATOM 60 CA GLY A 7 1.891 20.400 -16.050 1.00 0.00 C ATOM 61 C GLY A 7 2.957 19.438 -15.564 1.00 0.00 C ATOM 62 O GLY A 7 3.949 19.852 -14.966 1.00 0.00 O ATOM 0 H GLY A 7 2.344 22.444 -16.130 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.263 20.697 -15.210 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.246 19.891 -16.766 1.00 0.00 H new ATOM 66 N ASN A 8 2.752 18.150 -15.820 1.00 0.00 N ATOM 67 CA ASN A 8 3.703 17.127 -15.402 1.00 0.00 C ATOM 68 C ASN A 8 3.879 16.072 -16.490 1.00 0.00 C ATOM 69 O ASN A 8 2.983 15.849 -17.305 1.00 0.00 O ATOM 70 CB ASN A 8 3.234 16.464 -14.105 1.00 0.00 C ATOM 71 CG ASN A 8 3.585 17.283 -12.878 1.00 0.00 C ATOM 72 OD1 ASN A 8 4.734 17.295 -12.434 1.00 0.00 O ATOM 73 ND2 ASN A 8 2.595 17.972 -12.323 1.00 0.00 N ATOM 0 H ASN A 8 1.936 17.790 -16.315 1.00 0.00 H new ATOM 0 HA ASN A 8 4.665 17.609 -15.228 1.00 0.00 H new ATOM 0 HB2 ASN A 8 2.155 16.318 -14.144 1.00 0.00 H new ATOM 0 HB3 ASN A 8 3.687 15.476 -14.021 1.00 0.00 H new ATOM 0 HD21 ASN A 8 2.771 18.541 -11.495 1.00 0.00 H new ATOM 0 HD22 ASN A 8 1.658 17.933 -12.725 1.00 0.00 H new ATOM 80 N ASP A 9 5.040 15.426 -16.497 1.00 0.00 N ATOM 81 CA ASP A 9 5.334 14.393 -17.484 1.00 0.00 C ATOM 82 C ASP A 9 4.724 13.057 -17.070 1.00 0.00 C ATOM 83 O ASP A 9 4.669 12.117 -17.863 1.00 0.00 O ATOM 84 CB ASP A 9 6.846 14.244 -17.662 1.00 0.00 C ATOM 85 CG ASP A 9 7.219 13.744 -19.044 1.00 0.00 C ATOM 86 OD1 ASP A 9 7.088 14.523 -20.012 1.00 0.00 O ATOM 87 OD2 ASP A 9 7.644 12.576 -19.157 1.00 0.00 O ATOM 0 H ASP A 9 5.793 15.599 -15.831 1.00 0.00 H new ATOM 0 HA ASP A 9 4.892 14.695 -18.433 1.00 0.00 H new ATOM 0 HB2 ASP A 9 7.326 15.206 -17.485 1.00 0.00 H new ATOM 0 HB3 ASP A 9 7.231 13.553 -16.912 1.00 0.00 H new ATOM 92 N ALA A 10 4.268 12.981 -15.824 1.00 0.00 N ATOM 93 CA ALA A 10 3.662 11.761 -15.306 1.00 0.00 C ATOM 94 C ALA A 10 2.140 11.839 -15.360 1.00 0.00 C ATOM 95 O ALA A 10 1.521 12.616 -14.632 1.00 0.00 O ATOM 96 CB ALA A 10 4.129 11.503 -13.881 1.00 0.00 C ATOM 0 H ALA A 10 4.307 13.750 -15.155 1.00 0.00 H new ATOM 0 HA ALA A 10 3.980 10.931 -15.936 1.00 0.00 H new ATOM 0 HB1 ALA A 10 3.668 10.589 -13.507 1.00 0.00 H new ATOM 0 HB2 ALA A 10 5.214 11.395 -13.868 1.00 0.00 H new ATOM 0 HB3 ALA A 10 3.840 12.341 -13.246 1.00 0.00 H new ATOM 102 N VAL A 11 1.541 11.029 -16.228 1.00 0.00 N ATOM 103 CA VAL A 11 0.090 11.006 -16.377 1.00 0.00 C ATOM 104 C VAL A 11 -0.529 9.884 -15.552 1.00 0.00 C ATOM 105 O VAL A 11 -1.552 10.074 -14.894 1.00 0.00 O ATOM 106 CB VAL A 11 -0.320 10.832 -17.851 1.00 0.00 C ATOM 107 CG1 VAL A 11 -1.834 10.764 -17.980 1.00 0.00 C ATOM 108 CG2 VAL A 11 0.245 11.963 -18.698 1.00 0.00 C ATOM 0 H VAL A 11 2.038 10.380 -16.838 1.00 0.00 H new ATOM 0 HA VAL A 11 -0.281 11.965 -16.016 1.00 0.00 H new ATOM 0 HB VAL A 11 0.094 9.892 -18.217 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -2.105 10.641 -19.029 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -2.210 9.917 -17.406 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.273 11.685 -17.598 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -0.054 11.824 -19.737 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -0.138 12.916 -18.334 1.00 0.00 H new ATOM 0 HG23 VAL A 11 1.333 11.960 -18.630 1.00 0.00 H new ATOM 118 N ASP A 12 0.097 8.713 -15.593 1.00 0.00 N ATOM 119 CA ASP A 12 -0.391 7.558 -14.848 1.00 0.00 C ATOM 120 C ASP A 12 0.382 7.386 -13.544 1.00 0.00 C ATOM 121 O ASP A 12 -0.145 6.862 -12.562 1.00 0.00 O ATOM 122 CB ASP A 12 -0.273 6.291 -15.696 1.00 0.00 C ATOM 123 CG ASP A 12 1.074 5.614 -15.541 1.00 0.00 C ATOM 124 OD1 ASP A 12 1.372 5.132 -14.428 1.00 0.00 O ATOM 125 OD2 ASP A 12 1.832 5.567 -16.533 1.00 0.00 O ATOM 0 H ASP A 12 0.944 8.538 -16.134 1.00 0.00 H new ATOM 0 HA ASP A 12 -1.440 7.729 -14.607 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -1.062 5.594 -15.413 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -0.431 6.543 -16.745 1.00 0.00 H new ATOM 130 N PHE A 13 1.634 7.831 -13.541 1.00 0.00 N ATOM 131 CA PHE A 13 2.480 7.724 -12.358 1.00 0.00 C ATOM 132 C PHE A 13 2.076 8.753 -11.306 1.00 0.00 C ATOM 133 O PHE A 13 2.297 8.555 -10.111 1.00 0.00 O ATOM 134 CB PHE A 13 3.950 7.916 -12.738 1.00 0.00 C ATOM 135 CG PHE A 13 4.582 6.688 -13.329 1.00 0.00 C ATOM 136 CD1 PHE A 13 4.225 6.250 -14.593 1.00 0.00 C ATOM 137 CD2 PHE A 13 5.532 5.972 -12.619 1.00 0.00 C ATOM 138 CE1 PHE A 13 4.805 5.120 -15.140 1.00 0.00 C ATOM 139 CE2 PHE A 13 6.116 4.843 -13.160 1.00 0.00 C ATOM 140 CZ PHE A 13 5.751 4.416 -14.422 1.00 0.00 C ATOM 0 H PHE A 13 2.085 8.269 -14.344 1.00 0.00 H new ATOM 0 HA PHE A 13 2.348 6.728 -11.936 1.00 0.00 H new ATOM 0 HB2 PHE A 13 4.028 8.735 -13.453 1.00 0.00 H new ATOM 0 HB3 PHE A 13 4.510 8.212 -11.851 1.00 0.00 H new ATOM 0 HD1 PHE A 13 3.485 6.797 -15.158 1.00 0.00 H new ATOM 0 HD2 PHE A 13 5.819 6.300 -11.631 1.00 0.00 H new ATOM 0 HE1 PHE A 13 4.518 4.789 -16.127 1.00 0.00 H new ATOM 0 HE2 PHE A 13 6.857 4.295 -12.597 1.00 0.00 H new ATOM 0 HZ PHE A 13 6.205 3.533 -14.846 1.00 0.00 H new ATOM 150 N SER A 14 1.484 9.853 -11.760 1.00 0.00 N ATOM 151 CA SER A 14 1.053 10.916 -10.859 1.00 0.00 C ATOM 152 C SER A 14 -0.067 10.431 -9.944 1.00 0.00 C ATOM 153 O SER A 14 0.047 10.449 -8.718 1.00 0.00 O ATOM 154 CB SER A 14 0.583 12.132 -11.659 1.00 0.00 C ATOM 155 OG SER A 14 -0.462 12.813 -10.986 1.00 0.00 O ATOM 0 H SER A 14 1.292 10.032 -12.746 1.00 0.00 H new ATOM 0 HA SER A 14 1.904 11.203 -10.242 1.00 0.00 H new ATOM 0 HB2 SER A 14 1.420 12.812 -11.819 1.00 0.00 H new ATOM 0 HB3 SER A 14 0.239 11.813 -12.643 1.00 0.00 H new ATOM 0 HG SER A 14 -0.743 13.587 -11.517 1.00 0.00 H new ATOM 161 N PRO A 15 -1.177 9.988 -10.552 1.00 0.00 N ATOM 162 CA PRO A 15 -2.340 9.489 -9.812 1.00 0.00 C ATOM 163 C PRO A 15 -2.063 8.154 -9.128 1.00 0.00 C ATOM 164 O PRO A 15 -2.953 7.560 -8.518 1.00 0.00 O ATOM 165 CB PRO A 15 -3.407 9.322 -10.897 1.00 0.00 C ATOM 166 CG PRO A 15 -2.637 9.123 -12.157 1.00 0.00 C ATOM 167 CD PRO A 15 -1.382 9.938 -12.009 1.00 0.00 C ATOM 0 HA PRO A 15 -2.632 10.165 -9.008 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -4.053 8.469 -10.689 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -4.049 10.201 -10.960 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -2.402 8.069 -12.309 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -3.214 9.449 -13.022 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -0.538 9.472 -12.518 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -1.498 10.935 -12.433 1.00 0.00 H new ATOM 175 N THR A 16 -0.823 7.687 -9.233 1.00 0.00 N ATOM 176 CA THR A 16 -0.429 6.422 -8.625 1.00 0.00 C ATOM 177 C THR A 16 0.830 6.586 -7.782 1.00 0.00 C ATOM 178 O THR A 16 1.705 7.389 -8.104 1.00 0.00 O ATOM 179 CB THR A 16 -0.182 5.339 -9.692 1.00 0.00 C ATOM 180 OG1 THR A 16 0.834 5.773 -10.604 1.00 0.00 O ATOM 181 CG2 THR A 16 -1.460 5.031 -10.457 1.00 0.00 C ATOM 0 H THR A 16 -0.074 8.166 -9.733 1.00 0.00 H new ATOM 0 HA THR A 16 -1.253 6.109 -7.984 1.00 0.00 H new ATOM 0 HB THR A 16 0.147 4.431 -9.187 1.00 0.00 H new ATOM 0 HG1 THR A 16 0.448 5.875 -11.499 1.00 0.00 H new ATOM 0 HG21 THR A 16 -1.260 4.263 -11.205 1.00 0.00 H new ATOM 0 HG22 THR A 16 -2.222 4.673 -9.764 1.00 0.00 H new ATOM 0 HG23 THR A 16 -1.815 5.935 -10.951 1.00 0.00 H new ATOM 189 N LEU A 17 0.916 5.818 -6.700 1.00 0.00 N ATOM 190 CA LEU A 17 2.070 5.878 -5.810 1.00 0.00 C ATOM 191 C LEU A 17 2.509 4.478 -5.393 1.00 0.00 C ATOM 192 O LEU A 17 1.691 3.603 -5.109 1.00 0.00 O ATOM 193 CB LEU A 17 1.741 6.713 -4.571 1.00 0.00 C ATOM 194 CG LEU A 17 1.142 8.090 -4.858 1.00 0.00 C ATOM 195 CD1 LEU A 17 0.667 8.745 -3.571 1.00 0.00 C ATOM 196 CD2 LEU A 17 2.157 8.975 -5.566 1.00 0.00 C ATOM 0 H LEU A 17 0.201 5.147 -6.419 1.00 0.00 H new ATOM 0 HA LEU A 17 2.891 6.350 -6.350 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.043 6.153 -3.949 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.653 6.845 -3.988 1.00 0.00 H new ATOM 0 HG LEU A 17 0.281 7.961 -5.514 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.244 9.724 -3.796 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.094 8.120 -3.104 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.510 8.862 -2.890 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.714 9.951 -5.763 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.037 9.096 -4.934 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.448 8.512 -6.509 1.00 0.00 H new ATOM 208 N PRO A 18 3.832 4.260 -5.356 1.00 0.00 N ATOM 209 CA PRO A 18 4.410 2.968 -4.975 1.00 0.00 C ATOM 210 C PRO A 18 4.219 2.661 -3.493 1.00 0.00 C ATOM 211 O PRO A 18 4.732 3.373 -2.630 1.00 0.00 O ATOM 212 CB PRO A 18 5.897 3.136 -5.298 1.00 0.00 C ATOM 213 CG PRO A 18 6.138 4.604 -5.221 1.00 0.00 C ATOM 214 CD PRO A 18 4.865 5.257 -5.682 1.00 0.00 C ATOM 0 HA PRO A 18 3.936 2.139 -5.500 1.00 0.00 H new ATOM 0 HB2 PRO A 18 6.520 2.595 -4.586 1.00 0.00 H new ATOM 0 HB3 PRO A 18 6.133 2.747 -6.289 1.00 0.00 H new ATOM 0 HG2 PRO A 18 6.385 4.906 -4.203 1.00 0.00 H new ATOM 0 HG3 PRO A 18 6.977 4.895 -5.853 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.689 6.201 -5.167 1.00 0.00 H new ATOM 0 HD3 PRO A 18 4.889 5.476 -6.750 1.00 0.00 H new ATOM 222 N VAL A 19 3.477 1.597 -3.205 1.00 0.00 N ATOM 223 CA VAL A 19 3.219 1.195 -1.827 1.00 0.00 C ATOM 224 C VAL A 19 3.820 -0.174 -1.532 1.00 0.00 C ATOM 225 O VAL A 19 3.957 -1.011 -2.426 1.00 0.00 O ATOM 226 CB VAL A 19 1.708 1.155 -1.528 1.00 0.00 C ATOM 227 CG1 VAL A 19 1.093 2.536 -1.698 1.00 0.00 C ATOM 228 CG2 VAL A 19 1.014 0.140 -2.423 1.00 0.00 C ATOM 0 H VAL A 19 3.044 0.998 -3.907 1.00 0.00 H new ATOM 0 HA VAL A 19 3.690 1.941 -1.186 1.00 0.00 H new ATOM 0 HB VAL A 19 1.569 0.846 -0.492 1.00 0.00 H new ATOM 0 HG11 VAL A 19 0.026 2.488 -1.483 1.00 0.00 H new ATOM 0 HG12 VAL A 19 1.571 3.234 -1.011 1.00 0.00 H new ATOM 0 HG13 VAL A 19 1.241 2.877 -2.723 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.052 0.125 -2.198 1.00 0.00 H new ATOM 0 HG22 VAL A 19 1.161 0.415 -3.467 1.00 0.00 H new ATOM 0 HG23 VAL A 19 1.436 -0.849 -2.246 1.00 0.00 H new ATOM 238 N THR A 20 4.178 -0.398 -0.272 1.00 0.00 N ATOM 239 CA THR A 20 4.766 -1.666 0.142 1.00 0.00 C ATOM 240 C THR A 20 4.357 -2.023 1.566 1.00 0.00 C ATOM 241 O THR A 20 4.512 -1.219 2.487 1.00 0.00 O ATOM 242 CB THR A 20 6.304 -1.627 0.056 1.00 0.00 C ATOM 243 OG1 THR A 20 6.794 -0.401 0.609 1.00 0.00 O ATOM 244 CG2 THR A 20 6.769 -1.761 -1.386 1.00 0.00 C ATOM 0 H THR A 20 4.071 0.283 0.480 1.00 0.00 H new ATOM 0 HA THR A 20 4.390 -2.427 -0.542 1.00 0.00 H new ATOM 0 HB THR A 20 6.700 -2.467 0.628 1.00 0.00 H new ATOM 0 HG1 THR A 20 6.084 0.030 1.129 1.00 0.00 H new ATOM 0 HG21 THR A 20 7.858 -1.731 -1.421 1.00 0.00 H new ATOM 0 HG22 THR A 20 6.419 -2.709 -1.795 1.00 0.00 H new ATOM 0 HG23 THR A 20 6.364 -0.939 -1.977 1.00 0.00 H new ATOM 252 N CYS A 21 3.835 -3.232 1.742 1.00 0.00 N ATOM 253 CA CYS A 21 3.404 -3.695 3.056 1.00 0.00 C ATOM 254 C CYS A 21 4.069 -5.021 3.410 1.00 0.00 C ATOM 255 O CYS A 21 3.720 -6.067 2.865 1.00 0.00 O ATOM 256 CB CYS A 21 1.882 -3.848 3.091 1.00 0.00 C ATOM 257 SG CYS A 21 1.223 -4.298 4.714 1.00 0.00 S ATOM 0 H CYS A 21 3.700 -3.909 0.991 1.00 0.00 H new ATOM 0 HA CYS A 21 3.704 -2.951 3.793 1.00 0.00 H new ATOM 0 HB2 CYS A 21 1.426 -2.911 2.773 1.00 0.00 H new ATOM 0 HB3 CYS A 21 1.587 -4.608 2.367 1.00 0.00 H new ATOM 0 HG CYS A 21 0.250 -3.494 5.025 1.00 0.00 H new ATOM 263 N GLY A 22 5.030 -4.968 4.327 1.00 0.00 N ATOM 264 CA GLY A 22 5.731 -6.171 4.738 1.00 0.00 C ATOM 265 C GLY A 22 6.411 -6.870 3.577 1.00 0.00 C ATOM 266 O GLY A 22 7.394 -6.369 3.030 1.00 0.00 O ATOM 0 H GLY A 22 5.336 -4.114 4.793 1.00 0.00 H new ATOM 0 HA2 GLY A 22 6.476 -5.914 5.491 1.00 0.00 H new ATOM 0 HA3 GLY A 22 5.026 -6.856 5.208 1.00 0.00 H new ATOM 270 N LYS A 23 5.890 -8.033 3.201 1.00 0.00 N ATOM 271 CA LYS A 23 6.454 -8.804 2.099 1.00 0.00 C ATOM 272 C LYS A 23 5.632 -8.615 0.828 1.00 0.00 C ATOM 273 O LYS A 23 5.820 -9.330 -0.156 1.00 0.00 O ATOM 274 CB LYS A 23 6.513 -10.288 2.465 1.00 0.00 C ATOM 275 CG LYS A 23 5.155 -10.892 2.781 1.00 0.00 C ATOM 276 CD LYS A 23 5.270 -12.032 3.779 1.00 0.00 C ATOM 277 CE LYS A 23 5.473 -13.367 3.078 1.00 0.00 C ATOM 278 NZ LYS A 23 6.869 -13.530 2.587 1.00 0.00 N ATOM 0 H LYS A 23 5.078 -8.463 3.643 1.00 0.00 H new ATOM 0 HA LYS A 23 7.465 -8.442 1.915 1.00 0.00 H new ATOM 0 HB2 LYS A 23 6.963 -10.839 1.640 1.00 0.00 H new ATOM 0 HB3 LYS A 23 7.167 -10.415 3.328 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.497 -10.121 3.182 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.695 -11.256 1.862 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.105 -11.843 4.454 1.00 0.00 H new ATOM 0 HD3 LYS A 23 4.369 -12.074 4.391 1.00 0.00 H new ATOM 0 HE2 LYS A 23 5.233 -14.178 3.765 1.00 0.00 H new ATOM 0 HE3 LYS A 23 4.782 -13.445 2.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 7.066 -14.539 2.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 6.986 -13.011 1.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.532 -13.154 3.295 1.00 0.00 H new ATOM 292 N ALA A 24 4.721 -7.648 0.855 1.00 0.00 N ATOM 293 CA ALA A 24 3.873 -7.364 -0.296 1.00 0.00 C ATOM 294 C ALA A 24 4.106 -5.949 -0.813 1.00 0.00 C ATOM 295 O ALA A 24 4.527 -5.065 -0.067 1.00 0.00 O ATOM 296 CB ALA A 24 2.408 -7.561 0.066 1.00 0.00 C ATOM 0 H ALA A 24 4.551 -7.048 1.662 1.00 0.00 H new ATOM 0 HA ALA A 24 4.136 -8.062 -1.091 1.00 0.00 H new ATOM 0 HB1 ALA A 24 1.786 -7.345 -0.803 1.00 0.00 H new ATOM 0 HB2 ALA A 24 2.246 -8.592 0.381 1.00 0.00 H new ATOM 0 HB3 ALA A 24 2.140 -6.887 0.880 1.00 0.00 H new ATOM 302 N LYS A 25 3.831 -5.740 -2.096 1.00 0.00 N ATOM 303 CA LYS A 25 4.010 -4.432 -2.715 1.00 0.00 C ATOM 304 C LYS A 25 3.043 -4.244 -3.879 1.00 0.00 C ATOM 305 O LYS A 25 2.721 -5.194 -4.591 1.00 0.00 O ATOM 306 CB LYS A 25 5.451 -4.269 -3.204 1.00 0.00 C ATOM 307 CG LYS A 25 5.767 -5.081 -4.448 1.00 0.00 C ATOM 308 CD LYS A 25 7.265 -5.239 -4.644 1.00 0.00 C ATOM 309 CE LYS A 25 7.853 -6.244 -3.665 1.00 0.00 C ATOM 310 NZ LYS A 25 7.691 -7.645 -4.144 1.00 0.00 N ATOM 0 H LYS A 25 3.483 -6.461 -2.728 1.00 0.00 H new ATOM 0 HA LYS A 25 3.799 -3.671 -1.964 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.639 -3.215 -3.411 1.00 0.00 H new ATOM 0 HB3 LYS A 25 6.132 -4.563 -2.406 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.304 -6.064 -4.369 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.334 -4.594 -5.322 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.467 -5.563 -5.665 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.754 -4.274 -4.513 1.00 0.00 H new ATOM 0 HE2 LYS A 25 8.912 -6.031 -3.518 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.368 -6.133 -2.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 8.104 -8.299 -3.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.680 -7.857 -4.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 8.176 -7.758 -5.057 1.00 0.00 H new ATOM 324 N GLY A 26 2.584 -3.010 -4.068 1.00 0.00 N ATOM 325 CA GLY A 26 1.659 -2.720 -5.148 1.00 0.00 C ATOM 326 C GLY A 26 1.686 -1.261 -5.558 1.00 0.00 C ATOM 327 O GLY A 26 2.736 -0.618 -5.528 1.00 0.00 O ATOM 0 H GLY A 26 2.836 -2.207 -3.493 1.00 0.00 H new ATOM 0 HA2 GLY A 26 1.905 -3.341 -6.009 1.00 0.00 H new ATOM 0 HA3 GLY A 26 0.649 -2.989 -4.839 1.00 0.00 H new ATOM 331 N THR A 27 0.528 -0.735 -5.945 1.00 0.00 N ATOM 332 CA THR A 27 0.423 0.657 -6.366 1.00 0.00 C ATOM 333 C THR A 27 -0.938 1.239 -6.004 1.00 0.00 C ATOM 334 O THR A 27 -1.975 0.727 -6.425 1.00 0.00 O ATOM 335 CB THR A 27 0.645 0.803 -7.883 1.00 0.00 C ATOM 336 OG1 THR A 27 1.891 0.204 -8.256 1.00 0.00 O ATOM 337 CG2 THR A 27 0.638 2.268 -8.293 1.00 0.00 C ATOM 0 H THR A 27 -0.351 -1.252 -5.976 1.00 0.00 H new ATOM 0 HA THR A 27 1.202 1.207 -5.838 1.00 0.00 H new ATOM 0 HB THR A 27 -0.170 0.294 -8.397 1.00 0.00 H new ATOM 0 HG1 THR A 27 2.024 0.300 -9.222 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.797 2.346 -9.369 1.00 0.00 H new ATOM 0 HG22 THR A 27 -0.323 2.713 -8.035 1.00 0.00 H new ATOM 0 HG23 THR A 27 1.435 2.796 -7.770 1.00 0.00 H new ATOM 345 N LEU A 28 -0.928 2.314 -5.223 1.00 0.00 N ATOM 346 CA LEU A 28 -2.163 2.968 -4.806 1.00 0.00 C ATOM 347 C LEU A 28 -2.605 4.004 -5.833 1.00 0.00 C ATOM 348 O LEU A 28 -1.804 4.818 -6.295 1.00 0.00 O ATOM 349 CB LEU A 28 -1.975 3.634 -3.440 1.00 0.00 C ATOM 350 CG LEU A 28 -3.079 4.612 -3.040 1.00 0.00 C ATOM 351 CD1 LEU A 28 -4.180 3.892 -2.277 1.00 0.00 C ATOM 352 CD2 LEU A 28 -2.508 5.748 -2.206 1.00 0.00 C ATOM 0 H LEU A 28 -0.078 2.751 -4.866 1.00 0.00 H new ATOM 0 HA LEU A 28 -2.939 2.207 -4.729 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.907 2.856 -2.680 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.023 4.165 -3.439 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.510 5.034 -3.948 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.957 4.605 -2.001 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.609 3.113 -2.907 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.764 3.442 -1.376 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.308 6.435 -1.930 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.051 5.343 -1.304 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.755 6.282 -2.786 1.00 0.00 H new ATOM 364 N PHE A 29 -3.885 3.969 -6.188 1.00 0.00 N ATOM 365 CA PHE A 29 -4.434 4.904 -7.163 1.00 0.00 C ATOM 366 C PHE A 29 -5.374 5.901 -6.490 1.00 0.00 C ATOM 367 O PHE A 29 -6.520 5.578 -6.182 1.00 0.00 O ATOM 368 CB PHE A 29 -5.180 4.147 -8.264 1.00 0.00 C ATOM 369 CG PHE A 29 -4.282 3.309 -9.128 1.00 0.00 C ATOM 370 CD1 PHE A 29 -3.480 2.326 -8.570 1.00 0.00 C ATOM 371 CD2 PHE A 29 -4.240 3.503 -10.499 1.00 0.00 C ATOM 372 CE1 PHE A 29 -2.653 1.554 -9.363 1.00 0.00 C ATOM 373 CE2 PHE A 29 -3.414 2.734 -11.298 1.00 0.00 C ATOM 374 CZ PHE A 29 -2.620 1.758 -10.729 1.00 0.00 C ATOM 0 H PHE A 29 -4.562 3.303 -5.815 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.605 5.455 -7.608 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -5.933 3.505 -7.807 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -5.710 4.863 -8.892 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.502 2.162 -7.503 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -4.860 4.264 -10.949 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.033 0.792 -8.915 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.390 2.896 -12.365 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.974 1.155 -11.351 1.00 0.00 H new ATOM 384 N GLN A 30 -4.877 7.114 -6.266 1.00 0.00 N ATOM 385 CA GLN A 30 -5.671 8.158 -5.629 1.00 0.00 C ATOM 386 C GLN A 30 -7.077 8.208 -6.218 1.00 0.00 C ATOM 387 O GLN A 30 -8.060 8.348 -5.491 1.00 0.00 O ATOM 388 CB GLN A 30 -4.989 9.517 -5.790 1.00 0.00 C ATOM 389 CG GLN A 30 -3.471 9.439 -5.789 1.00 0.00 C ATOM 390 CD GLN A 30 -2.817 10.787 -5.554 1.00 0.00 C ATOM 391 OE1 GLN A 30 -2.378 11.025 -4.324 1.00 0.00 O flip ATOM 392 NE2 GLN A 30 -2.709 11.605 -6.467 1.00 0.00 N flip ATOM 0 H GLN A 30 -3.930 7.397 -6.516 1.00 0.00 H new ATOM 0 HA GLN A 30 -5.750 7.923 -4.568 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -5.321 9.972 -6.723 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -5.311 10.174 -4.982 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -3.147 8.743 -5.015 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -3.131 9.036 -6.743 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -3.061 11.380 -7.398 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -2.268 12.508 -6.293 1.00 0.00 H new ATOM 401 N GLU A 31 -7.164 8.094 -7.540 1.00 0.00 N ATOM 402 CA GLU A 31 -8.450 8.129 -8.226 1.00 0.00 C ATOM 403 C GLU A 31 -9.373 7.030 -7.707 1.00 0.00 C ATOM 404 O GLU A 31 -10.570 7.248 -7.514 1.00 0.00 O ATOM 405 CB GLU A 31 -8.252 7.973 -9.735 1.00 0.00 C ATOM 406 CG GLU A 31 -9.483 7.452 -10.460 1.00 0.00 C ATOM 407 CD GLU A 31 -9.568 7.945 -11.891 1.00 0.00 C ATOM 408 OE1 GLU A 31 -10.068 9.069 -12.102 1.00 0.00 O ATOM 409 OE2 GLU A 31 -9.136 7.206 -12.800 1.00 0.00 O ATOM 0 H GLU A 31 -6.360 7.977 -8.156 1.00 0.00 H new ATOM 0 HA GLU A 31 -8.914 9.095 -8.025 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -7.973 8.938 -10.158 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.419 7.293 -9.915 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -9.469 6.362 -10.455 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -10.377 7.762 -9.919 1.00 0.00 H new ATOM 416 N LYS A 32 -8.809 5.848 -7.483 1.00 0.00 N ATOM 417 CA LYS A 32 -9.579 4.714 -6.985 1.00 0.00 C ATOM 418 C LYS A 32 -9.656 4.736 -5.462 1.00 0.00 C ATOM 419 O LYS A 32 -10.402 3.965 -4.858 1.00 0.00 O ATOM 420 CB LYS A 32 -8.952 3.400 -7.456 1.00 0.00 C ATOM 421 CG LYS A 32 -9.422 2.961 -8.832 1.00 0.00 C ATOM 422 CD LYS A 32 -8.369 2.124 -9.540 1.00 0.00 C ATOM 423 CE LYS A 32 -8.892 1.567 -10.856 1.00 0.00 C ATOM 424 NZ LYS A 32 -10.008 0.604 -10.646 1.00 0.00 N ATOM 0 H LYS A 32 -7.821 5.650 -7.639 1.00 0.00 H new ATOM 0 HA LYS A 32 -10.591 4.790 -7.383 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -7.868 3.509 -7.469 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -9.185 2.617 -6.735 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -10.342 2.385 -8.737 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.656 3.839 -9.435 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -7.484 2.733 -9.727 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -8.060 1.303 -8.893 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -9.234 2.387 -11.487 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -8.080 1.072 -11.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -10.156 0.049 -11.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -9.771 -0.036 -9.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -10.878 1.126 -10.416 1.00 0.00 H new ATOM 438 N LEU A 33 -8.882 5.623 -4.847 1.00 0.00 N ATOM 439 CA LEU A 33 -8.864 5.746 -3.394 1.00 0.00 C ATOM 440 C LEU A 33 -9.841 6.820 -2.926 1.00 0.00 C ATOM 441 O LEU A 33 -10.409 6.728 -1.838 1.00 0.00 O ATOM 442 CB LEU A 33 -7.452 6.076 -2.907 1.00 0.00 C ATOM 443 CG LEU A 33 -7.244 5.958 -1.397 1.00 0.00 C ATOM 444 CD1 LEU A 33 -7.363 4.509 -0.953 1.00 0.00 C ATOM 445 CD2 LEU A 33 -5.891 6.529 -0.999 1.00 0.00 C ATOM 0 H LEU A 33 -8.258 6.268 -5.332 1.00 0.00 H new ATOM 0 HA LEU A 33 -9.173 4.791 -2.970 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.747 5.413 -3.408 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.207 7.093 -3.214 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.022 6.535 -0.897 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.212 4.445 0.125 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -8.355 4.132 -1.203 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.608 3.909 -1.461 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.760 6.437 0.079 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.100 5.979 -1.509 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.843 7.581 -1.282 1.00 0.00 H new ATOM 457 N LYS A 34 -10.031 7.840 -3.757 1.00 0.00 N ATOM 458 CA LYS A 34 -10.939 8.933 -3.431 1.00 0.00 C ATOM 459 C LYS A 34 -12.295 8.399 -2.983 1.00 0.00 C ATOM 460 O LYS A 34 -12.855 8.860 -1.989 1.00 0.00 O ATOM 461 CB LYS A 34 -11.116 9.854 -4.641 1.00 0.00 C ATOM 462 CG LYS A 34 -9.958 10.814 -4.850 1.00 0.00 C ATOM 463 CD LYS A 34 -10.197 11.726 -6.041 1.00 0.00 C ATOM 464 CE LYS A 34 -8.948 12.516 -6.398 1.00 0.00 C ATOM 465 NZ LYS A 34 -8.043 11.747 -7.298 1.00 0.00 N ATOM 0 H LYS A 34 -9.568 7.932 -4.661 1.00 0.00 H new ATOM 0 HA LYS A 34 -10.503 9.501 -2.609 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -11.237 9.244 -5.536 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -12.035 10.428 -4.519 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -9.817 11.416 -3.952 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -9.039 10.249 -5.002 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -10.510 11.131 -6.899 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -11.012 12.414 -5.816 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -9.235 13.449 -6.883 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -8.413 12.782 -5.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -7.203 12.320 -7.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -7.749 10.868 -6.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -8.545 11.515 -8.179 1.00 0.00 H new ATOM 479 N GLN A 35 -12.816 7.424 -3.721 1.00 0.00 N ATOM 480 CA GLN A 35 -14.106 6.827 -3.397 1.00 0.00 C ATOM 481 C GLN A 35 -14.136 6.348 -1.950 1.00 0.00 C ATOM 482 O GLN A 35 -14.977 6.776 -1.161 1.00 0.00 O ATOM 483 CB GLN A 35 -14.402 5.659 -4.340 1.00 0.00 C ATOM 484 CG GLN A 35 -14.296 6.024 -5.812 1.00 0.00 C ATOM 485 CD GLN A 35 -15.221 5.199 -6.685 1.00 0.00 C ATOM 486 OE1 GLN A 35 -15.298 3.903 -6.408 1.00 0.00 O flip ATOM 487 NE2 GLN A 35 -15.859 5.721 -7.600 1.00 0.00 N flip ATOM 0 H GLN A 35 -12.365 7.031 -4.547 1.00 0.00 H new ATOM 0 HA GLN A 35 -14.874 7.590 -3.523 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -13.710 4.845 -4.125 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -15.406 5.285 -4.138 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -14.530 7.081 -5.938 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -13.267 5.883 -6.144 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -15.770 6.721 -7.778 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -16.477 5.153 -8.180 1.00 0.00 H new ATOM 496 N GLY A 36 -13.212 5.455 -1.607 1.00 0.00 N ATOM 497 CA GLY A 36 -13.151 4.931 -0.255 1.00 0.00 C ATOM 498 C GLY A 36 -12.025 3.934 -0.070 1.00 0.00 C ATOM 499 O GLY A 36 -11.497 3.396 -1.042 1.00 0.00 O ATOM 0 H GLY A 36 -12.504 5.085 -2.242 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -13.020 5.756 0.445 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -14.099 4.453 -0.011 1.00 0.00 H new ATOM 503 N ALA A 37 -11.655 3.688 1.183 1.00 0.00 N ATOM 504 CA ALA A 37 -10.585 2.749 1.492 1.00 0.00 C ATOM 505 C ALA A 37 -11.077 1.308 1.407 1.00 0.00 C ATOM 506 O ALA A 37 -10.388 0.380 1.832 1.00 0.00 O ATOM 507 CB ALA A 37 -10.016 3.033 2.875 1.00 0.00 C ATOM 0 H ALA A 37 -12.081 4.126 2.000 1.00 0.00 H new ATOM 0 HA ALA A 37 -9.796 2.880 0.752 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -9.217 2.324 3.093 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -9.618 4.047 2.903 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -10.804 2.931 3.621 1.00 0.00 H new ATOM 513 N SER A 38 -12.273 1.127 0.856 1.00 0.00 N ATOM 514 CA SER A 38 -12.859 -0.201 0.720 1.00 0.00 C ATOM 515 C SER A 38 -12.776 -0.685 -0.725 1.00 0.00 C ATOM 516 O SER A 38 -12.755 -1.888 -0.988 1.00 0.00 O ATOM 517 CB SER A 38 -14.318 -0.187 1.181 1.00 0.00 C ATOM 518 OG SER A 38 -14.886 -1.484 1.114 1.00 0.00 O ATOM 0 H SER A 38 -12.855 1.884 0.497 1.00 0.00 H new ATOM 0 HA SER A 38 -12.293 -0.888 1.349 1.00 0.00 H new ATOM 0 HB2 SER A 38 -14.376 0.187 2.203 1.00 0.00 H new ATOM 0 HB3 SER A 38 -14.893 0.498 0.558 1.00 0.00 H new ATOM 0 HG SER A 38 -15.818 -1.449 1.415 1.00 0.00 H new ATOM 524 N LYS A 39 -12.727 0.260 -1.657 1.00 0.00 N ATOM 525 CA LYS A 39 -12.645 -0.068 -3.076 1.00 0.00 C ATOM 526 C LYS A 39 -11.228 -0.489 -3.455 1.00 0.00 C ATOM 527 O LYS A 39 -10.250 0.079 -2.969 1.00 0.00 O ATOM 528 CB LYS A 39 -13.076 1.131 -3.923 1.00 0.00 C ATOM 529 CG LYS A 39 -14.434 1.691 -3.537 1.00 0.00 C ATOM 530 CD LYS A 39 -15.565 0.813 -4.044 1.00 0.00 C ATOM 531 CE LYS A 39 -16.924 1.435 -3.762 1.00 0.00 C ATOM 532 NZ LYS A 39 -17.376 2.310 -4.879 1.00 0.00 N ATOM 0 H LYS A 39 -12.743 1.260 -1.456 1.00 0.00 H new ATOM 0 HA LYS A 39 -13.318 -0.903 -3.271 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -12.328 1.918 -3.830 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -13.099 0.835 -4.972 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -14.498 1.777 -2.452 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -14.543 2.696 -3.944 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -15.452 0.655 -5.117 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -15.507 -0.167 -3.570 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -17.658 0.646 -3.599 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -16.873 2.018 -2.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -18.017 3.041 -4.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -16.551 2.763 -5.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -17.877 1.737 -5.588 1.00 0.00 H new ATOM 546 N LYS A 40 -11.126 -1.485 -4.328 1.00 0.00 N ATOM 547 CA LYS A 40 -9.830 -1.981 -4.776 1.00 0.00 C ATOM 548 C LYS A 40 -9.039 -0.880 -5.476 1.00 0.00 C ATOM 549 O LYS A 40 -9.326 -0.528 -6.621 1.00 0.00 O ATOM 550 CB LYS A 40 -10.014 -3.170 -5.720 1.00 0.00 C ATOM 551 CG LYS A 40 -10.958 -4.232 -5.184 1.00 0.00 C ATOM 552 CD LYS A 40 -10.212 -5.296 -4.397 1.00 0.00 C ATOM 553 CE LYS A 40 -11.084 -6.517 -4.145 1.00 0.00 C ATOM 554 NZ LYS A 40 -10.967 -7.518 -5.242 1.00 0.00 N ATOM 0 H LYS A 40 -11.926 -1.965 -4.740 1.00 0.00 H new ATOM 0 HA LYS A 40 -9.270 -2.305 -3.899 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -10.392 -2.809 -6.676 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -9.042 -3.624 -5.913 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -11.708 -3.765 -4.545 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -11.491 -4.698 -6.013 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.317 -5.593 -4.943 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.881 -4.881 -3.445 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -10.798 -6.979 -3.200 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -12.124 -6.206 -4.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -11.576 -8.335 -5.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -11.264 -7.085 -6.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -9.979 -7.834 -5.320 1.00 0.00 H new ATOM 568 N CYS A 41 -8.042 -0.341 -4.782 1.00 0.00 N ATOM 569 CA CYS A 41 -7.210 0.719 -5.338 1.00 0.00 C ATOM 570 C CYS A 41 -5.756 0.270 -5.444 1.00 0.00 C ATOM 571 O CYS A 41 -5.003 0.763 -6.285 1.00 0.00 O ATOM 572 CB CYS A 41 -7.305 1.978 -4.474 1.00 0.00 C ATOM 573 SG CYS A 41 -6.884 1.713 -2.736 1.00 0.00 S ATOM 0 H CYS A 41 -7.791 -0.621 -3.834 1.00 0.00 H new ATOM 0 HA CYS A 41 -7.576 0.946 -6.339 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -6.642 2.739 -4.885 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -8.319 2.372 -4.535 1.00 0.00 H new ATOM 0 HG CYS A 41 -7.903 2.022 -1.991 1.00 0.00 H new ATOM 579 N ILE A 42 -5.368 -0.667 -4.586 1.00 0.00 N ATOM 580 CA ILE A 42 -4.004 -1.181 -4.582 1.00 0.00 C ATOM 581 C ILE A 42 -3.845 -2.321 -5.583 1.00 0.00 C ATOM 582 O ILE A 42 -4.422 -3.395 -5.412 1.00 0.00 O ATOM 583 CB ILE A 42 -3.593 -1.679 -3.184 1.00 0.00 C ATOM 584 CG1 ILE A 42 -3.520 -0.507 -2.203 1.00 0.00 C ATOM 585 CG2 ILE A 42 -2.258 -2.405 -3.251 1.00 0.00 C ATOM 586 CD1 ILE A 42 -3.380 -0.936 -0.759 1.00 0.00 C ATOM 0 H ILE A 42 -5.979 -1.086 -3.885 1.00 0.00 H new ATOM 0 HA ILE A 42 -3.354 -0.354 -4.869 1.00 0.00 H new ATOM 0 HB ILE A 42 -4.348 -2.380 -2.828 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -2.674 0.127 -2.469 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -4.419 0.101 -2.308 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.981 -2.751 -2.255 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -2.342 -3.260 -3.922 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -1.492 -1.725 -3.625 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -3.334 -0.054 -0.120 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -4.238 -1.545 -0.476 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -2.466 -1.518 -0.639 1.00 0.00 H new ATOM 598 N GLN A 43 -3.056 -2.081 -6.625 1.00 0.00 N ATOM 599 CA GLN A 43 -2.820 -3.089 -7.652 1.00 0.00 C ATOM 600 C GLN A 43 -1.456 -3.746 -7.466 1.00 0.00 C ATOM 601 O GLN A 43 -0.422 -3.085 -7.547 1.00 0.00 O ATOM 602 CB GLN A 43 -2.911 -2.460 -9.044 1.00 0.00 C ATOM 603 CG GLN A 43 -3.314 -3.444 -10.130 1.00 0.00 C ATOM 604 CD GLN A 43 -3.219 -2.848 -11.521 1.00 0.00 C ATOM 605 OE1 GLN A 43 -2.295 -2.091 -11.823 1.00 0.00 O ATOM 606 NE2 GLN A 43 -4.175 -3.188 -12.378 1.00 0.00 N ATOM 0 H GLN A 43 -2.570 -1.198 -6.780 1.00 0.00 H new ATOM 0 HA GLN A 43 -3.589 -3.856 -7.557 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -3.633 -1.644 -9.018 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -1.946 -2.024 -9.300 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -2.675 -4.325 -10.072 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -4.336 -3.779 -9.951 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -4.922 -3.818 -12.085 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -4.162 -2.819 -13.329 1.00 0.00 H new ATOM 615 N ASN A 44 -1.463 -5.051 -7.217 1.00 0.00 N ATOM 616 CA ASN A 44 -0.226 -5.798 -7.018 1.00 0.00 C ATOM 617 C ASN A 44 0.479 -6.045 -8.348 1.00 0.00 C ATOM 618 O ASN A 44 -0.019 -5.662 -9.406 1.00 0.00 O ATOM 619 CB ASN A 44 -0.517 -7.132 -6.327 1.00 0.00 C ATOM 620 CG ASN A 44 -0.942 -8.210 -7.306 1.00 0.00 C ATOM 621 OD1 ASN A 44 -0.241 -9.204 -7.494 1.00 0.00 O ATOM 622 ND2 ASN A 44 -2.095 -8.016 -7.935 1.00 0.00 N ATOM 0 H ASN A 44 -2.311 -5.613 -7.148 1.00 0.00 H new ATOM 0 HA ASN A 44 0.431 -5.203 -6.383 1.00 0.00 H new ATOM 0 HB2 ASN A 44 0.373 -7.462 -5.791 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -1.302 -6.990 -5.584 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -2.433 -8.706 -8.606 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -2.643 -7.177 -7.748 1.00 0.00 H new ATOM 629 N GLU A 45 1.641 -6.687 -8.285 1.00 0.00 N ATOM 630 CA GLU A 45 2.415 -6.985 -9.485 1.00 0.00 C ATOM 631 C GLU A 45 1.584 -7.785 -10.484 1.00 0.00 C ATOM 632 O GLU A 45 1.776 -7.676 -11.695 1.00 0.00 O ATOM 633 CB GLU A 45 3.683 -7.761 -9.122 1.00 0.00 C ATOM 634 CG GLU A 45 4.544 -7.068 -8.079 1.00 0.00 C ATOM 635 CD GLU A 45 5.570 -6.137 -8.695 1.00 0.00 C ATOM 636 OE1 GLU A 45 5.198 -5.005 -9.068 1.00 0.00 O ATOM 637 OE2 GLU A 45 6.747 -6.542 -8.804 1.00 0.00 O ATOM 0 H GLU A 45 2.067 -7.011 -7.417 1.00 0.00 H new ATOM 0 HA GLU A 45 2.697 -6.039 -9.948 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.402 -8.747 -8.752 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.275 -7.916 -10.024 1.00 0.00 H new ATOM 0 HG2 GLU A 45 3.904 -6.501 -7.403 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.056 -7.820 -7.478 1.00 0.00 H new ATOM 644 N ALA A 46 0.661 -8.589 -9.967 1.00 0.00 N ATOM 645 CA ALA A 46 -0.200 -9.406 -10.812 1.00 0.00 C ATOM 646 C ALA A 46 -1.293 -8.563 -11.461 1.00 0.00 C ATOM 647 O ALA A 46 -2.111 -9.071 -12.226 1.00 0.00 O ATOM 648 CB ALA A 46 -0.815 -10.538 -10.002 1.00 0.00 C ATOM 0 H ALA A 46 0.491 -8.692 -8.967 1.00 0.00 H new ATOM 0 HA ALA A 46 0.413 -9.833 -11.606 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.456 -11.140 -10.646 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.023 -11.164 -9.591 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.408 -10.122 -9.187 1.00 0.00 H new ATOM 654 N GLY A 47 -1.302 -7.271 -11.148 1.00 0.00 N ATOM 655 CA GLY A 47 -2.300 -6.378 -11.708 1.00 0.00 C ATOM 656 C GLY A 47 -3.635 -6.482 -10.998 1.00 0.00 C ATOM 657 O GLY A 47 -4.491 -5.609 -11.139 1.00 0.00 O ATOM 0 H GLY A 47 -0.636 -6.826 -10.516 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.939 -5.351 -11.648 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.435 -6.607 -12.765 1.00 0.00 H new ATOM 661 N ASP A 48 -3.814 -7.554 -10.233 1.00 0.00 N ATOM 662 CA ASP A 48 -5.055 -7.770 -9.499 1.00 0.00 C ATOM 663 C ASP A 48 -5.209 -6.746 -8.379 1.00 0.00 C ATOM 664 O ASP A 48 -4.456 -6.759 -7.405 1.00 0.00 O ATOM 665 CB ASP A 48 -5.091 -9.185 -8.921 1.00 0.00 C ATOM 666 CG ASP A 48 -5.106 -10.251 -9.999 1.00 0.00 C ATOM 667 OD1 ASP A 48 -4.265 -10.176 -10.919 1.00 0.00 O ATOM 668 OD2 ASP A 48 -5.958 -11.160 -9.923 1.00 0.00 O ATOM 0 H ASP A 48 -3.115 -8.286 -10.105 1.00 0.00 H new ATOM 0 HA ASP A 48 -5.885 -7.649 -10.195 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -4.223 -9.334 -8.279 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -5.975 -9.295 -8.293 1.00 0.00 H new ATOM 673 N TRP A 49 -6.188 -5.860 -8.524 1.00 0.00 N ATOM 674 CA TRP A 49 -6.440 -4.828 -7.525 1.00 0.00 C ATOM 675 C TRP A 49 -6.806 -5.449 -6.182 1.00 0.00 C ATOM 676 O TRP A 49 -7.304 -6.573 -6.122 1.00 0.00 O ATOM 677 CB TRP A 49 -7.560 -3.898 -7.994 1.00 0.00 C ATOM 678 CG TRP A 49 -7.275 -3.242 -9.311 1.00 0.00 C ATOM 679 CD1 TRP A 49 -7.433 -3.792 -10.551 1.00 0.00 C ATOM 680 CD2 TRP A 49 -6.781 -1.914 -9.518 1.00 0.00 C ATOM 681 NE1 TRP A 49 -7.067 -2.885 -11.517 1.00 0.00 N ATOM 682 CE2 TRP A 49 -6.664 -1.726 -10.909 1.00 0.00 C ATOM 683 CE3 TRP A 49 -6.428 -0.866 -8.665 1.00 0.00 C ATOM 684 CZ2 TRP A 49 -6.208 -0.532 -11.463 1.00 0.00 C ATOM 685 CZ3 TRP A 49 -5.976 0.318 -9.216 1.00 0.00 C ATOM 686 CH2 TRP A 49 -5.870 0.477 -10.604 1.00 0.00 C ATOM 0 H TRP A 49 -6.820 -5.836 -9.324 1.00 0.00 H new ATOM 0 HA TRP A 49 -5.526 -4.248 -7.399 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -8.486 -4.467 -8.073 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -7.722 -3.128 -7.240 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -7.792 -4.792 -10.744 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -7.092 -3.049 -12.523 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -6.507 -0.979 -7.594 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -6.124 -0.408 -12.533 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -5.700 1.135 -8.566 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -5.514 1.415 -11.004 1.00 0.00 H new ATOM 697 N LEU A 50 -6.557 -4.710 -5.106 1.00 0.00 N ATOM 698 CA LEU A 50 -6.862 -5.189 -3.762 1.00 0.00 C ATOM 699 C LEU A 50 -7.331 -4.044 -2.870 1.00 0.00 C ATOM 700 O LEU A 50 -6.841 -2.919 -2.973 1.00 0.00 O ATOM 701 CB LEU A 50 -5.632 -5.860 -3.147 1.00 0.00 C ATOM 702 CG LEU A 50 -5.055 -7.021 -3.956 1.00 0.00 C ATOM 703 CD1 LEU A 50 -3.580 -7.214 -3.638 1.00 0.00 C ATOM 704 CD2 LEU A 50 -5.833 -8.299 -3.683 1.00 0.00 C ATOM 0 H LEU A 50 -6.145 -3.777 -5.138 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.667 -5.920 -3.837 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.855 -5.107 -3.015 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -5.895 -6.224 -2.154 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.148 -6.782 -5.015 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.187 -8.045 -4.224 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.032 -6.305 -3.886 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.462 -7.431 -2.576 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -5.408 -9.115 -4.267 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.772 -8.542 -2.622 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -6.877 -8.157 -3.963 1.00 0.00 H new ATOM 716 N THR A 51 -8.285 -4.339 -1.992 1.00 0.00 N ATOM 717 CA THR A 51 -8.823 -3.335 -1.082 1.00 0.00 C ATOM 718 C THR A 51 -7.815 -2.983 0.006 1.00 0.00 C ATOM 719 O THR A 51 -7.083 -3.846 0.490 1.00 0.00 O ATOM 720 CB THR A 51 -10.128 -3.818 -0.421 1.00 0.00 C ATOM 721 OG1 THR A 51 -9.878 -4.999 0.350 1.00 0.00 O ATOM 722 CG2 THR A 51 -11.192 -4.107 -1.469 1.00 0.00 C ATOM 0 H THR A 51 -8.701 -5.265 -1.892 1.00 0.00 H new ATOM 0 HA THR A 51 -9.034 -2.448 -1.679 1.00 0.00 H new ATOM 0 HB THR A 51 -10.492 -3.026 0.234 1.00 0.00 H new ATOM 0 HG1 THR A 51 -10.712 -5.299 0.768 1.00 0.00 H new ATOM 0 HG21 THR A 51 -12.104 -4.446 -0.978 1.00 0.00 H new ATOM 0 HG22 THR A 51 -11.401 -3.199 -2.035 1.00 0.00 H new ATOM 0 HG23 THR A 51 -10.834 -4.883 -2.146 1.00 0.00 H new ATOM 730 N VAL A 52 -7.783 -1.710 0.386 1.00 0.00 N ATOM 731 CA VAL A 52 -6.865 -1.244 1.419 1.00 0.00 C ATOM 732 C VAL A 52 -6.642 -2.316 2.480 1.00 0.00 C ATOM 733 O VAL A 52 -5.546 -2.445 3.027 1.00 0.00 O ATOM 734 CB VAL A 52 -7.389 0.035 2.100 1.00 0.00 C ATOM 735 CG1 VAL A 52 -6.423 0.500 3.178 1.00 0.00 C ATOM 736 CG2 VAL A 52 -7.619 1.130 1.069 1.00 0.00 C ATOM 0 H VAL A 52 -8.382 -0.983 -0.006 1.00 0.00 H new ATOM 0 HA VAL A 52 -5.919 -1.023 0.925 1.00 0.00 H new ATOM 0 HB VAL A 52 -8.343 -0.191 2.575 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -6.810 1.404 3.648 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.314 -0.281 3.930 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.452 0.711 2.730 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -7.989 2.026 1.567 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -6.680 1.357 0.564 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -8.353 0.792 0.337 1.00 0.00 H new ATOM 746 N LYS A 53 -7.688 -3.084 2.767 1.00 0.00 N ATOM 747 CA LYS A 53 -7.607 -4.147 3.761 1.00 0.00 C ATOM 748 C LYS A 53 -6.878 -5.364 3.199 1.00 0.00 C ATOM 749 O LYS A 53 -5.914 -5.849 3.791 1.00 0.00 O ATOM 750 CB LYS A 53 -9.009 -4.549 4.223 1.00 0.00 C ATOM 751 CG LYS A 53 -9.635 -3.562 5.194 1.00 0.00 C ATOM 752 CD LYS A 53 -10.844 -4.160 5.895 1.00 0.00 C ATOM 753 CE LYS A 53 -10.429 -5.097 7.019 1.00 0.00 C ATOM 754 NZ LYS A 53 -11.607 -5.642 7.750 1.00 0.00 N ATOM 0 H LYS A 53 -8.602 -2.990 2.325 1.00 0.00 H new ATOM 0 HA LYS A 53 -7.043 -3.770 4.614 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -9.656 -4.648 3.351 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -8.959 -5.530 4.696 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -8.895 -3.261 5.936 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -9.933 -2.661 4.657 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -11.465 -3.360 6.297 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -11.453 -4.704 5.173 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -9.844 -5.920 6.608 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -9.783 -4.564 7.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -11.282 -6.276 8.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -12.152 -4.859 8.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -12.210 -6.173 7.090 1.00 0.00 H new ATOM 768 N GLU A 54 -7.344 -5.850 2.053 1.00 0.00 N ATOM 769 CA GLU A 54 -6.735 -7.009 1.412 1.00 0.00 C ATOM 770 C GLU A 54 -5.214 -6.883 1.391 1.00 0.00 C ATOM 771 O GLU A 54 -4.503 -7.709 1.964 1.00 0.00 O ATOM 772 CB GLU A 54 -7.264 -7.167 -0.015 1.00 0.00 C ATOM 773 CG GLU A 54 -8.644 -7.799 -0.086 1.00 0.00 C ATOM 774 CD GLU A 54 -8.589 -9.310 -0.192 1.00 0.00 C ATOM 775 OE1 GLU A 54 -7.956 -9.943 0.680 1.00 0.00 O ATOM 776 OE2 GLU A 54 -9.179 -9.861 -1.145 1.00 0.00 O ATOM 0 H GLU A 54 -8.141 -5.459 1.550 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.001 -7.893 1.991 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.297 -6.187 -0.492 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.565 -7.776 -0.587 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -9.213 -7.521 0.801 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.180 -7.397 -0.946 1.00 0.00 H new ATOM 783 N PHE A 55 -4.722 -5.843 0.726 1.00 0.00 N ATOM 784 CA PHE A 55 -3.286 -5.608 0.628 1.00 0.00 C ATOM 785 C PHE A 55 -2.581 -6.000 1.924 1.00 0.00 C ATOM 786 O PHE A 55 -1.537 -6.650 1.903 1.00 0.00 O ATOM 787 CB PHE A 55 -3.008 -4.138 0.308 1.00 0.00 C ATOM 788 CG PHE A 55 -1.585 -3.869 -0.090 1.00 0.00 C ATOM 789 CD1 PHE A 55 -0.996 -4.577 -1.125 1.00 0.00 C ATOM 790 CD2 PHE A 55 -0.837 -2.908 0.571 1.00 0.00 C ATOM 791 CE1 PHE A 55 0.313 -4.332 -1.494 1.00 0.00 C ATOM 792 CE2 PHE A 55 0.473 -2.659 0.206 1.00 0.00 C ATOM 793 CZ PHE A 55 1.049 -3.372 -0.827 1.00 0.00 C ATOM 0 H PHE A 55 -5.296 -5.150 0.247 1.00 0.00 H new ATOM 0 HA PHE A 55 -2.896 -6.228 -0.179 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -3.669 -3.819 -0.498 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -3.254 -3.532 1.180 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -1.567 -5.329 -1.650 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -1.282 -2.348 1.380 1.00 0.00 H new ATOM 0 HE1 PHE A 55 0.760 -4.891 -2.303 1.00 0.00 H new ATOM 0 HE2 PHE A 55 1.046 -1.907 0.729 1.00 0.00 H new ATOM 0 HZ PHE A 55 2.073 -3.179 -1.113 1.00 0.00 H new ATOM 803 N LEU A 56 -3.161 -5.598 3.050 1.00 0.00 N ATOM 804 CA LEU A 56 -2.589 -5.906 4.356 1.00 0.00 C ATOM 805 C LEU A 56 -2.484 -7.413 4.563 1.00 0.00 C ATOM 806 O LEU A 56 -1.427 -7.929 4.923 1.00 0.00 O ATOM 807 CB LEU A 56 -3.439 -5.284 5.467 1.00 0.00 C ATOM 808 CG LEU A 56 -3.751 -3.799 5.288 1.00 0.00 C ATOM 809 CD1 LEU A 56 -4.562 -3.278 6.465 1.00 0.00 C ATOM 810 CD2 LEU A 56 -2.466 -3.000 5.131 1.00 0.00 C ATOM 0 H LEU A 56 -4.026 -5.059 3.085 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.585 -5.482 4.395 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.379 -5.832 5.534 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -2.923 -5.419 6.417 1.00 0.00 H new ATOM 0 HG LEU A 56 -4.345 -3.679 4.382 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -4.775 -2.219 6.320 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.499 -3.830 6.534 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -3.994 -3.411 7.386 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.707 -1.945 5.005 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.848 -3.127 6.020 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.921 -3.355 4.256 1.00 0.00 H new ATOM 822 N ASN A 57 -3.590 -8.114 4.332 1.00 0.00 N ATOM 823 CA ASN A 57 -3.623 -9.564 4.494 1.00 0.00 C ATOM 824 C ASN A 57 -2.482 -10.223 3.725 1.00 0.00 C ATOM 825 O ASN A 57 -1.860 -11.168 4.209 1.00 0.00 O ATOM 826 CB ASN A 57 -4.965 -10.120 4.014 1.00 0.00 C ATOM 827 CG ASN A 57 -6.026 -10.087 5.097 1.00 0.00 C ATOM 828 OD1 ASN A 57 -6.643 -8.926 5.285 1.00 0.00 O flip ATOM 829 ND2 ASN A 57 -6.287 -11.093 5.757 1.00 0.00 N flip ATOM 0 H ASN A 57 -4.474 -7.702 4.033 1.00 0.00 H new ATOM 0 HA ASN A 57 -3.501 -9.790 5.553 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -5.308 -9.543 3.156 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -4.829 -11.147 3.674 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -5.787 -11.964 5.578 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -7.003 -11.055 6.483 1.00 0.00 H new ATOM 836 N GLU A 58 -2.214 -9.717 2.525 1.00 0.00 N ATOM 837 CA GLU A 58 -1.148 -10.258 1.690 1.00 0.00 C ATOM 838 C GLU A 58 0.180 -10.265 2.440 1.00 0.00 C ATOM 839 O GLU A 58 0.936 -11.234 2.377 1.00 0.00 O ATOM 840 CB GLU A 58 -1.015 -9.441 0.403 1.00 0.00 C ATOM 841 CG GLU A 58 -1.878 -9.956 -0.737 1.00 0.00 C ATOM 842 CD GLU A 58 -1.210 -11.073 -1.516 1.00 0.00 C ATOM 843 OE1 GLU A 58 -0.406 -11.817 -0.916 1.00 0.00 O ATOM 844 OE2 GLU A 58 -1.492 -11.203 -2.726 1.00 0.00 O ATOM 0 H GLU A 58 -2.720 -8.934 2.110 1.00 0.00 H new ATOM 0 HA GLU A 58 -1.407 -11.286 1.435 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -1.283 -8.405 0.611 1.00 0.00 H new ATOM 0 HB3 GLU A 58 0.028 -9.443 0.087 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -2.826 -10.314 -0.337 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -2.108 -9.133 -1.414 1.00 0.00 H new ATOM 851 N GLY A 59 0.458 -9.176 3.150 1.00 0.00 N ATOM 852 CA GLY A 59 1.696 -9.077 3.902 1.00 0.00 C ATOM 853 C GLY A 59 1.615 -9.774 5.246 1.00 0.00 C ATOM 854 O GLY A 59 2.592 -10.364 5.706 1.00 0.00 O ATOM 0 H GLY A 59 -0.151 -8.361 3.218 1.00 0.00 H new ATOM 0 HA2 GLY A 59 2.508 -9.512 3.319 1.00 0.00 H new ATOM 0 HA3 GLY A 59 1.941 -8.026 4.055 1.00 0.00 H new ATOM 858 N GLY A 60 0.448 -9.706 5.878 1.00 0.00 N ATOM 859 CA GLY A 60 0.266 -10.339 7.171 1.00 0.00 C ATOM 860 C GLY A 60 0.022 -9.334 8.279 1.00 0.00 C ATOM 861 O GLY A 60 0.297 -9.609 9.447 1.00 0.00 O ATOM 0 H GLY A 60 -0.375 -9.224 5.518 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -0.576 -11.029 7.119 1.00 0.00 H new ATOM 0 HA3 GLY A 60 1.149 -10.931 7.410 1.00 0.00 H new ATOM 865 N ARG A 61 -0.493 -8.165 7.913 1.00 0.00 N ATOM 866 CA ARG A 61 -0.771 -7.114 8.885 1.00 0.00 C ATOM 867 C ARG A 61 -2.261 -6.790 8.925 1.00 0.00 C ATOM 868 O ARG A 61 -2.666 -5.746 9.434 1.00 0.00 O ATOM 869 CB ARG A 61 0.027 -5.853 8.546 1.00 0.00 C ATOM 870 CG ARG A 61 1.389 -5.795 9.219 1.00 0.00 C ATOM 871 CD ARG A 61 2.346 -4.888 8.461 1.00 0.00 C ATOM 872 NE ARG A 61 3.721 -5.026 8.935 1.00 0.00 N ATOM 873 CZ ARG A 61 4.209 -4.364 9.978 1.00 0.00 C ATOM 874 NH1 ARG A 61 3.438 -3.523 10.653 1.00 0.00 N ATOM 875 NH2 ARG A 61 5.470 -4.543 10.347 1.00 0.00 N ATOM 0 H ARG A 61 -0.726 -7.922 6.950 1.00 0.00 H new ATOM 0 HA ARG A 61 -0.469 -7.474 9.868 1.00 0.00 H new ATOM 0 HB2 ARG A 61 0.162 -5.798 7.466 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.552 -4.977 8.840 1.00 0.00 H new ATOM 0 HG2 ARG A 61 1.276 -5.434 10.241 1.00 0.00 H new ATOM 0 HG3 ARG A 61 1.809 -6.799 9.280 1.00 0.00 H new ATOM 0 HD2 ARG A 61 2.304 -5.124 7.398 1.00 0.00 H new ATOM 0 HD3 ARG A 61 2.027 -3.852 8.571 1.00 0.00 H new ATOM 0 HE ARG A 61 4.340 -5.666 8.438 1.00 0.00 H new ATOM 0 HH11 ARG A 61 2.468 -3.383 10.372 1.00 0.00 H new ATOM 0 HH12 ARG A 61 3.815 -3.016 11.454 1.00 0.00 H new ATOM 0 HH21 ARG A 61 6.066 -5.189 9.830 1.00 0.00 H new ATOM 0 HH22 ARG A 61 5.844 -4.034 11.148 1.00 0.00 H new ATOM 889 N ALA A 62 -3.072 -7.693 8.383 1.00 0.00 N ATOM 890 CA ALA A 62 -4.517 -7.505 8.358 1.00 0.00 C ATOM 891 C ALA A 62 -5.048 -7.141 9.741 1.00 0.00 C ATOM 892 O ALA A 62 -5.947 -6.311 9.875 1.00 0.00 O ATOM 893 CB ALA A 62 -5.205 -8.760 7.841 1.00 0.00 C ATOM 0 H ALA A 62 -2.752 -8.562 7.955 1.00 0.00 H new ATOM 0 HA ALA A 62 -4.738 -6.678 7.683 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.284 -8.604 7.828 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -4.857 -8.976 6.831 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -4.967 -9.600 8.493 1.00 0.00 H new ATOM 899 N THR A 63 -4.485 -7.769 10.769 1.00 0.00 N ATOM 900 CA THR A 63 -4.902 -7.513 12.142 1.00 0.00 C ATOM 901 C THR A 63 -4.856 -6.023 12.462 1.00 0.00 C ATOM 902 O THR A 63 -5.604 -5.537 13.310 1.00 0.00 O ATOM 903 CB THR A 63 -4.017 -8.271 13.149 1.00 0.00 C ATOM 904 OG1 THR A 63 -4.394 -7.929 14.488 1.00 0.00 O ATOM 905 CG2 THR A 63 -2.547 -7.942 12.932 1.00 0.00 C ATOM 0 H THR A 63 -3.739 -8.459 10.676 1.00 0.00 H new ATOM 0 HA THR A 63 -5.928 -7.869 12.232 1.00 0.00 H new ATOM 0 HB THR A 63 -4.162 -9.340 12.993 1.00 0.00 H new ATOM 0 HG1 THR A 63 -3.827 -8.416 15.122 1.00 0.00 H new ATOM 0 HG21 THR A 63 -1.941 -8.489 13.655 1.00 0.00 H new ATOM 0 HG22 THR A 63 -2.255 -8.230 11.922 1.00 0.00 H new ATOM 0 HG23 THR A 63 -2.390 -6.871 13.064 1.00 0.00 H new ATOM 913 N SER A 64 -3.972 -5.303 11.779 1.00 0.00 N ATOM 914 CA SER A 64 -3.826 -3.868 11.993 1.00 0.00 C ATOM 915 C SER A 64 -5.059 -3.117 11.500 1.00 0.00 C ATOM 916 O SER A 64 -5.736 -3.554 10.568 1.00 0.00 O ATOM 917 CB SER A 64 -2.578 -3.348 11.277 1.00 0.00 C ATOM 918 OG SER A 64 -2.023 -2.238 11.960 1.00 0.00 O ATOM 0 H SER A 64 -3.346 -5.690 11.073 1.00 0.00 H new ATOM 0 HA SER A 64 -3.720 -3.695 13.064 1.00 0.00 H new ATOM 0 HB2 SER A 64 -1.837 -4.144 11.208 1.00 0.00 H new ATOM 0 HB3 SER A 64 -2.833 -3.061 10.257 1.00 0.00 H new ATOM 0 HG SER A 64 -1.045 -2.306 11.955 1.00 0.00 H new ATOM 924 N LYS A 65 -5.346 -1.984 12.131 1.00 0.00 N ATOM 925 CA LYS A 65 -6.496 -1.169 11.758 1.00 0.00 C ATOM 926 C LYS A 65 -6.087 -0.059 10.795 1.00 0.00 C ATOM 927 O LYS A 65 -6.719 0.140 9.758 1.00 0.00 O ATOM 928 CB LYS A 65 -7.144 -0.563 13.005 1.00 0.00 C ATOM 929 CG LYS A 65 -8.541 -0.019 12.761 1.00 0.00 C ATOM 930 CD LYS A 65 -9.553 -1.139 12.587 1.00 0.00 C ATOM 931 CE LYS A 65 -10.166 -1.548 13.917 1.00 0.00 C ATOM 932 NZ LYS A 65 -9.395 -2.641 14.571 1.00 0.00 N ATOM 0 H LYS A 65 -4.797 -1.609 12.904 1.00 0.00 H new ATOM 0 HA LYS A 65 -7.219 -1.813 11.257 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -7.190 -1.322 13.786 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -6.510 0.241 13.379 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -8.837 0.614 13.598 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -8.537 0.611 11.871 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -10.341 -0.816 11.906 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -9.068 -2.001 12.128 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -10.204 -0.684 14.580 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -11.194 -1.874 13.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -10.049 -3.274 15.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -8.878 -3.182 13.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -8.719 -2.232 15.247 1.00 0.00 H new ATOM 946 N ASP A 66 -5.026 0.660 11.144 1.00 0.00 N ATOM 947 CA ASP A 66 -4.531 1.748 10.309 1.00 0.00 C ATOM 948 C ASP A 66 -3.700 1.208 9.149 1.00 0.00 C ATOM 949 O ASP A 66 -2.628 0.638 9.354 1.00 0.00 O ATOM 950 CB ASP A 66 -3.695 2.720 11.143 1.00 0.00 C ATOM 951 CG ASP A 66 -4.299 2.978 12.510 1.00 0.00 C ATOM 952 OD1 ASP A 66 -4.245 2.069 13.363 1.00 0.00 O ATOM 953 OD2 ASP A 66 -4.827 4.089 12.725 1.00 0.00 O ATOM 0 H ASP A 66 -4.492 0.509 12.000 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.391 2.279 9.900 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -2.689 2.318 11.264 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.599 3.664 10.607 1.00 0.00 H new ATOM 958 N TRP A 67 -4.202 1.391 7.934 1.00 0.00 N ATOM 959 CA TRP A 67 -3.506 0.921 6.741 1.00 0.00 C ATOM 960 C TRP A 67 -2.371 1.868 6.364 1.00 0.00 C ATOM 961 O TRP A 67 -1.374 1.454 5.772 1.00 0.00 O ATOM 962 CB TRP A 67 -4.485 0.788 5.573 1.00 0.00 C ATOM 963 CG TRP A 67 -5.291 2.027 5.330 1.00 0.00 C ATOM 964 CD1 TRP A 67 -6.434 2.402 5.979 1.00 0.00 C ATOM 965 CD2 TRP A 67 -5.018 3.053 4.370 1.00 0.00 C ATOM 966 NE1 TRP A 67 -6.887 3.599 5.479 1.00 0.00 N ATOM 967 CE2 TRP A 67 -6.035 4.020 4.492 1.00 0.00 C ATOM 968 CE3 TRP A 67 -4.011 3.251 3.421 1.00 0.00 C ATOM 969 CZ2 TRP A 67 -6.074 5.164 3.700 1.00 0.00 C ATOM 970 CZ3 TRP A 67 -4.051 4.387 2.635 1.00 0.00 C ATOM 971 CH2 TRP A 67 -5.076 5.332 2.778 1.00 0.00 C ATOM 0 H TRP A 67 -5.088 1.861 7.748 1.00 0.00 H new ATOM 0 HA TRP A 67 -3.080 -0.058 6.962 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -3.929 0.542 4.668 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -5.161 -0.044 5.768 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -6.911 1.840 6.769 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -7.722 4.094 5.792 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -3.216 2.529 3.304 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -6.863 5.893 3.809 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -3.279 4.549 1.898 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -5.079 6.210 2.149 1.00 0.00 H new ATOM 982 N LYS A 68 -2.529 3.140 6.711 1.00 0.00 N ATOM 983 CA LYS A 68 -1.517 4.147 6.411 1.00 0.00 C ATOM 984 C LYS A 68 -0.240 3.887 7.203 1.00 0.00 C ATOM 985 O LYS A 68 0.847 4.297 6.798 1.00 0.00 O ATOM 986 CB LYS A 68 -2.051 5.546 6.727 1.00 0.00 C ATOM 987 CG LYS A 68 -3.164 5.996 5.797 1.00 0.00 C ATOM 988 CD LYS A 68 -3.560 7.440 6.059 1.00 0.00 C ATOM 989 CE LYS A 68 -4.992 7.713 5.626 1.00 0.00 C ATOM 990 NZ LYS A 68 -5.444 9.073 6.030 1.00 0.00 N ATOM 0 H LYS A 68 -3.349 3.499 7.201 1.00 0.00 H new ATOM 0 HA LYS A 68 -1.283 4.086 5.348 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -2.417 5.563 7.753 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -1.230 6.261 6.670 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -2.840 5.889 4.762 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -4.032 5.350 5.928 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -3.452 7.661 7.121 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -2.884 8.107 5.524 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -5.070 7.611 4.544 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -5.653 6.965 6.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -6.425 9.220 5.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -5.394 9.162 7.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -4.829 9.788 5.591 1.00 0.00 H new ATOM 1004 N GLY A 69 -0.379 3.203 8.335 1.00 0.00 N ATOM 1005 CA GLY A 69 0.772 2.900 9.165 1.00 0.00 C ATOM 1006 C GLY A 69 1.508 1.657 8.704 1.00 0.00 C ATOM 1007 O GLY A 69 2.737 1.647 8.628 1.00 0.00 O ATOM 0 H GLY A 69 -1.268 2.853 8.692 1.00 0.00 H new ATOM 0 HA2 GLY A 69 1.456 3.748 9.155 1.00 0.00 H new ATOM 0 HA3 GLY A 69 0.447 2.764 10.196 1.00 0.00 H new ATOM 1011 N VAL A 70 0.756 0.606 8.396 1.00 0.00 N ATOM 1012 CA VAL A 70 1.344 -0.648 7.940 1.00 0.00 C ATOM 1013 C VAL A 70 1.948 -0.498 6.548 1.00 0.00 C ATOM 1014 O VAL A 70 3.025 -1.025 6.268 1.00 0.00 O ATOM 1015 CB VAL A 70 0.302 -1.782 7.917 1.00 0.00 C ATOM 1016 CG1 VAL A 70 -0.222 -2.055 9.318 1.00 0.00 C ATOM 1017 CG2 VAL A 70 -0.838 -1.437 6.970 1.00 0.00 C ATOM 0 H VAL A 70 -0.262 0.598 8.454 1.00 0.00 H new ATOM 0 HA VAL A 70 2.132 -0.904 8.649 1.00 0.00 H new ATOM 0 HB VAL A 70 0.785 -2.689 7.553 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.957 -2.859 9.281 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.605 -2.348 9.965 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.690 -1.154 9.713 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.566 -2.249 6.965 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.321 -0.518 7.302 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.445 -1.297 5.963 1.00 0.00 H new ATOM 1027 N ILE A 71 1.247 0.224 5.680 1.00 0.00 N ATOM 1028 CA ILE A 71 1.715 0.444 4.318 1.00 0.00 C ATOM 1029 C ILE A 71 2.783 1.531 4.272 1.00 0.00 C ATOM 1030 O ILE A 71 2.569 2.647 4.745 1.00 0.00 O ATOM 1031 CB ILE A 71 0.557 0.839 3.382 1.00 0.00 C ATOM 1032 CG1 ILE A 71 -0.528 -0.240 3.393 1.00 0.00 C ATOM 1033 CG2 ILE A 71 1.071 1.066 1.969 1.00 0.00 C ATOM 1034 CD1 ILE A 71 -1.775 0.148 2.630 1.00 0.00 C ATOM 0 H ILE A 71 0.354 0.666 5.896 1.00 0.00 H new ATOM 0 HA ILE A 71 2.144 -0.498 3.976 1.00 0.00 H new ATOM 0 HB ILE A 71 0.120 1.770 3.743 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.121 -1.157 2.966 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.798 -0.462 4.426 1.00 0.00 H new ATOM 0 HG21 ILE A 71 0.241 1.344 1.320 1.00 0.00 H new ATOM 0 HG22 ILE A 71 1.811 1.866 1.975 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.531 0.150 1.597 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -2.500 -0.664 2.681 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.206 1.047 3.070 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.519 0.341 1.588 1.00 0.00 H new ATOM 1046 N ARG A 72 3.935 1.197 3.698 1.00 0.00 N ATOM 1047 CA ARG A 72 5.037 2.145 3.590 1.00 0.00 C ATOM 1048 C ARG A 72 5.314 2.493 2.130 1.00 0.00 C ATOM 1049 O ARG A 72 5.378 1.611 1.273 1.00 0.00 O ATOM 1050 CB ARG A 72 6.298 1.568 4.236 1.00 0.00 C ATOM 1051 CG ARG A 72 6.076 1.046 5.646 1.00 0.00 C ATOM 1052 CD ARG A 72 7.375 1.008 6.437 1.00 0.00 C ATOM 1053 NE ARG A 72 7.287 0.117 7.591 1.00 0.00 N ATOM 1054 CZ ARG A 72 8.057 0.231 8.667 1.00 0.00 C ATOM 1055 NH1 ARG A 72 8.967 1.193 8.737 1.00 0.00 N ATOM 1056 NH2 ARG A 72 7.917 -0.618 9.677 1.00 0.00 N ATOM 0 H ARG A 72 4.129 0.278 3.301 1.00 0.00 H new ATOM 0 HA ARG A 72 4.752 3.057 4.115 1.00 0.00 H new ATOM 0 HB2 ARG A 72 6.677 0.758 3.613 1.00 0.00 H new ATOM 0 HB3 ARG A 72 7.069 2.338 4.260 1.00 0.00 H new ATOM 0 HG2 ARG A 72 5.354 1.680 6.160 1.00 0.00 H new ATOM 0 HG3 ARG A 72 5.647 0.045 5.601 1.00 0.00 H new ATOM 0 HD2 ARG A 72 8.186 0.680 5.787 1.00 0.00 H new ATOM 0 HD3 ARG A 72 7.624 2.014 6.774 1.00 0.00 H new ATOM 0 HE ARG A 72 6.597 -0.634 7.569 1.00 0.00 H new ATOM 0 HH11 ARG A 72 9.077 1.848 7.963 1.00 0.00 H new ATOM 0 HH12 ARG A 72 9.557 1.278 9.565 1.00 0.00 H new ATOM 0 HH21 ARG A 72 7.218 -1.359 9.627 1.00 0.00 H new ATOM 0 HH22 ARG A 72 8.509 -0.530 10.503 1.00 0.00 H new ATOM 1070 N CYS A 73 5.476 3.782 1.856 1.00 0.00 N ATOM 1071 CA CYS A 73 5.744 4.247 0.499 1.00 0.00 C ATOM 1072 C CYS A 73 7.111 4.920 0.415 1.00 0.00 C ATOM 1073 O CYS A 73 7.311 6.010 0.950 1.00 0.00 O ATOM 1074 CB CYS A 73 4.655 5.220 0.047 1.00 0.00 C ATOM 1075 SG CYS A 73 4.953 5.959 -1.577 1.00 0.00 S ATOM 0 H CYS A 73 5.427 4.524 2.554 1.00 0.00 H new ATOM 0 HA CYS A 73 5.744 3.381 -0.162 1.00 0.00 H new ATOM 0 HB2 CYS A 73 3.700 4.695 0.026 1.00 0.00 H new ATOM 0 HB3 CYS A 73 4.565 6.016 0.786 1.00 0.00 H new ATOM 0 HG CYS A 73 4.732 5.074 -2.504 1.00 0.00 H new ATOM 1081 N ASN A 74 8.049 4.261 -0.258 1.00 0.00 N ATOM 1082 CA ASN A 74 9.398 4.794 -0.409 1.00 0.00 C ATOM 1083 C ASN A 74 10.103 4.881 0.940 1.00 0.00 C ATOM 1084 O ASN A 74 10.923 5.770 1.168 1.00 0.00 O ATOM 1085 CB ASN A 74 9.351 6.176 -1.064 1.00 0.00 C ATOM 1086 CG ASN A 74 8.681 6.150 -2.424 1.00 0.00 C ATOM 1087 OD1 ASN A 74 8.124 5.131 -2.834 1.00 0.00 O ATOM 1088 ND2 ASN A 74 8.732 7.273 -3.131 1.00 0.00 N ATOM 0 H ASN A 74 7.900 3.357 -0.707 1.00 0.00 H new ATOM 0 HA ASN A 74 9.961 4.115 -1.049 1.00 0.00 H new ATOM 0 HB2 ASN A 74 8.816 6.866 -0.412 1.00 0.00 H new ATOM 0 HB3 ASN A 74 10.366 6.560 -1.169 1.00 0.00 H new ATOM 0 HD21 ASN A 74 8.299 7.315 -4.053 1.00 0.00 H new ATOM 0 HD22 ASN A 74 9.204 8.094 -2.752 1.00 0.00 H new ATOM 1095 N GLY A 75 9.778 3.951 1.833 1.00 0.00 N ATOM 1096 CA GLY A 75 10.390 3.940 3.149 1.00 0.00 C ATOM 1097 C GLY A 75 9.652 4.820 4.139 1.00 0.00 C ATOM 1098 O GLY A 75 9.934 4.789 5.336 1.00 0.00 O ATOM 0 H GLY A 75 9.102 3.205 1.669 1.00 0.00 H new ATOM 0 HA2 GLY A 75 10.416 2.917 3.526 1.00 0.00 H new ATOM 0 HA3 GLY A 75 11.424 4.277 3.068 1.00 0.00 H new ATOM 1102 N GLU A 76 8.706 5.607 3.637 1.00 0.00 N ATOM 1103 CA GLU A 76 7.927 6.501 4.486 1.00 0.00 C ATOM 1104 C GLU A 76 6.455 6.102 4.491 1.00 0.00 C ATOM 1105 O GLU A 76 5.834 5.960 3.437 1.00 0.00 O ATOM 1106 CB GLU A 76 8.074 7.948 4.011 1.00 0.00 C ATOM 1107 CG GLU A 76 9.280 8.663 4.597 1.00 0.00 C ATOM 1108 CD GLU A 76 9.829 9.733 3.674 1.00 0.00 C ATOM 1109 OE1 GLU A 76 9.157 10.772 3.506 1.00 0.00 O ATOM 1110 OE2 GLU A 76 10.930 9.532 3.121 1.00 0.00 O ATOM 0 H GLU A 76 8.461 5.644 2.648 1.00 0.00 H new ATOM 0 HA GLU A 76 8.310 6.420 5.503 1.00 0.00 H new ATOM 0 HB2 GLU A 76 8.149 7.958 2.924 1.00 0.00 H new ATOM 0 HB3 GLU A 76 7.172 8.501 4.273 1.00 0.00 H new ATOM 0 HG2 GLU A 76 9.002 9.117 5.548 1.00 0.00 H new ATOM 0 HG3 GLU A 76 10.063 7.934 4.808 1.00 0.00 H new ATOM 1117 N THR A 77 5.900 5.922 5.686 1.00 0.00 N ATOM 1118 CA THR A 77 4.501 5.538 5.829 1.00 0.00 C ATOM 1119 C THR A 77 3.578 6.590 5.226 1.00 0.00 C ATOM 1120 O THR A 77 3.846 7.788 5.310 1.00 0.00 O ATOM 1121 CB THR A 77 4.125 5.328 7.308 1.00 0.00 C ATOM 1122 OG1 THR A 77 4.341 6.536 8.045 1.00 0.00 O ATOM 1123 CG2 THR A 77 4.944 4.201 7.920 1.00 0.00 C ATOM 0 H THR A 77 6.398 6.036 6.569 1.00 0.00 H new ATOM 0 HA THR A 77 4.375 4.598 5.293 1.00 0.00 H new ATOM 0 HB THR A 77 3.070 5.057 7.357 1.00 0.00 H new ATOM 0 HG1 THR A 77 4.098 6.394 8.984 1.00 0.00 H new ATOM 0 HG21 THR A 77 4.661 4.071 8.965 1.00 0.00 H new ATOM 0 HG22 THR A 77 4.754 3.276 7.375 1.00 0.00 H new ATOM 0 HG23 THR A 77 6.004 4.447 7.859 1.00 0.00 H new ATOM 1131 N LEU A 78 2.487 6.135 4.617 1.00 0.00 N ATOM 1132 CA LEU A 78 1.523 7.037 4.000 1.00 0.00 C ATOM 1133 C LEU A 78 1.287 8.263 4.876 1.00 0.00 C ATOM 1134 O LEU A 78 1.265 9.393 4.388 1.00 0.00 O ATOM 1135 CB LEU A 78 0.199 6.310 3.753 1.00 0.00 C ATOM 1136 CG LEU A 78 0.297 5.074 2.860 1.00 0.00 C ATOM 1137 CD1 LEU A 78 -1.037 4.345 2.807 1.00 0.00 C ATOM 1138 CD2 LEU A 78 0.749 5.462 1.460 1.00 0.00 C ATOM 0 H LEU A 78 2.249 5.146 4.538 1.00 0.00 H new ATOM 0 HA LEU A 78 1.932 7.368 3.045 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.220 6.013 4.714 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.504 7.010 3.302 1.00 0.00 H new ATOM 0 HG LEU A 78 1.039 4.400 3.287 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.947 3.468 2.166 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.321 4.033 3.812 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -1.800 5.011 2.405 1.00 0.00 H new ATOM 0 HD21 LEU A 78 0.813 4.569 0.838 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.030 6.156 1.025 1.00 0.00 H new ATOM 0 HD23 LEU A 78 1.728 5.939 1.513 1.00 0.00 H new ATOM 1150 N ARG A 79 1.111 8.032 6.173 1.00 0.00 N ATOM 1151 CA ARG A 79 0.875 9.117 7.118 1.00 0.00 C ATOM 1152 C ARG A 79 2.008 10.138 7.066 1.00 0.00 C ATOM 1153 O ARG A 79 1.770 11.346 7.098 1.00 0.00 O ATOM 1154 CB ARG A 79 0.737 8.564 8.538 1.00 0.00 C ATOM 1155 CG ARG A 79 0.662 9.643 9.606 1.00 0.00 C ATOM 1156 CD ARG A 79 0.530 9.041 10.996 1.00 0.00 C ATOM 1157 NE ARG A 79 -0.856 8.715 11.323 1.00 0.00 N ATOM 1158 CZ ARG A 79 -1.316 8.621 12.565 1.00 0.00 C ATOM 1159 NH1 ARG A 79 -0.505 8.828 13.593 1.00 0.00 N ATOM 1160 NH2 ARG A 79 -2.590 8.321 12.781 1.00 0.00 N ATOM 0 H ARG A 79 1.127 7.103 6.593 1.00 0.00 H new ATOM 0 HA ARG A 79 -0.053 9.615 6.838 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -0.160 7.947 8.593 1.00 0.00 H new ATOM 0 HB3 ARG A 79 1.585 7.913 8.750 1.00 0.00 H new ATOM 0 HG2 ARG A 79 1.556 10.264 9.561 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -0.189 10.294 9.408 1.00 0.00 H new ATOM 0 HD2 ARG A 79 1.139 8.139 11.060 1.00 0.00 H new ATOM 0 HD3 ARG A 79 0.921 9.742 11.733 1.00 0.00 H new ATOM 0 HE ARG A 79 -1.506 8.550 10.555 1.00 0.00 H new ATOM 0 HH11 ARG A 79 0.475 9.060 13.431 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -0.861 8.755 14.546 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -3.217 8.162 11.993 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -2.942 8.249 13.736 1.00 0.00 H new ATOM 1174 N HIS A 80 3.239 9.645 6.987 1.00 0.00 N ATOM 1175 CA HIS A 80 4.409 10.514 6.931 1.00 0.00 C ATOM 1176 C HIS A 80 4.352 11.424 5.707 1.00 0.00 C ATOM 1177 O HIS A 80 4.621 12.621 5.798 1.00 0.00 O ATOM 1178 CB HIS A 80 5.690 9.680 6.901 1.00 0.00 C ATOM 1179 CG HIS A 80 6.912 10.444 7.311 1.00 0.00 C ATOM 1180 ND1 HIS A 80 7.426 10.412 8.590 1.00 0.00 N ATOM 1181 CD2 HIS A 80 7.723 11.262 6.602 1.00 0.00 C ATOM 1182 CE1 HIS A 80 8.499 11.179 8.650 1.00 0.00 C ATOM 1183 NE2 HIS A 80 8.702 11.706 7.456 1.00 0.00 N ATOM 0 H HIS A 80 3.453 8.648 6.960 1.00 0.00 H new ATOM 0 HA HIS A 80 4.411 11.137 7.826 1.00 0.00 H new ATOM 0 HB2 HIS A 80 5.570 8.821 7.561 1.00 0.00 H new ATOM 0 HB3 HIS A 80 5.836 9.290 5.894 1.00 0.00 H new ATOM 0 HD2 HIS A 80 7.620 11.518 5.558 1.00 0.00 H new ATOM 0 HE1 HIS A 80 9.107 11.347 9.526 1.00 0.00 H new ATOM 0 HE2 HIS A 80 9.462 12.340 7.209 1.00 0.00 H new ATOM 1192 N LEU A 81 4.000 10.847 4.563 1.00 0.00 N ATOM 1193 CA LEU A 81 3.908 11.605 3.321 1.00 0.00 C ATOM 1194 C LEU A 81 2.857 12.705 3.431 1.00 0.00 C ATOM 1195 O LEU A 81 3.078 13.834 2.993 1.00 0.00 O ATOM 1196 CB LEU A 81 3.568 10.674 2.155 1.00 0.00 C ATOM 1197 CG LEU A 81 4.547 9.519 1.943 1.00 0.00 C ATOM 1198 CD1 LEU A 81 3.986 8.520 0.944 1.00 0.00 C ATOM 1199 CD2 LEU A 81 5.896 10.043 1.476 1.00 0.00 C ATOM 0 H LEU A 81 3.774 9.857 4.470 1.00 0.00 H new ATOM 0 HA LEU A 81 4.876 12.070 3.136 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.572 10.261 2.318 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.522 11.264 1.240 1.00 0.00 H new ATOM 0 HG LEU A 81 4.688 9.008 2.895 1.00 0.00 H new ATOM 0 HD11 LEU A 81 4.697 7.705 0.806 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.044 8.120 1.319 1.00 0.00 H new ATOM 0 HD13 LEU A 81 3.814 9.017 -0.011 1.00 0.00 H new ATOM 0 HD21 LEU A 81 6.580 9.207 1.330 1.00 0.00 H new ATOM 0 HD22 LEU A 81 5.772 10.579 0.535 1.00 0.00 H new ATOM 0 HD23 LEU A 81 6.304 10.719 2.228 1.00 0.00 H new ATOM 1211 N GLU A 82 1.714 12.367 4.019 1.00 0.00 N ATOM 1212 CA GLU A 82 0.629 13.326 4.186 1.00 0.00 C ATOM 1213 C GLU A 82 1.079 14.517 5.027 1.00 0.00 C ATOM 1214 O GLU A 82 0.810 15.668 4.685 1.00 0.00 O ATOM 1215 CB GLU A 82 -0.580 12.653 4.841 1.00 0.00 C ATOM 1216 CG GLU A 82 -1.850 13.485 4.775 1.00 0.00 C ATOM 1217 CD GLU A 82 -2.013 14.397 5.975 1.00 0.00 C ATOM 1218 OE1 GLU A 82 -0.995 14.950 6.442 1.00 0.00 O ATOM 1219 OE2 GLU A 82 -3.158 14.558 6.447 1.00 0.00 O ATOM 0 H GLU A 82 1.516 11.437 4.387 1.00 0.00 H new ATOM 0 HA GLU A 82 0.344 13.688 3.198 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -0.759 11.694 4.355 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -0.347 12.443 5.885 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -1.839 14.086 3.866 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -2.712 12.821 4.708 1.00 0.00 H new ATOM 1226 N GLN A 83 1.765 14.230 6.129 1.00 0.00 N ATOM 1227 CA GLN A 83 2.252 15.277 7.019 1.00 0.00 C ATOM 1228 C GLN A 83 3.118 16.277 6.261 1.00 0.00 C ATOM 1229 O GLN A 83 3.057 17.482 6.510 1.00 0.00 O ATOM 1230 CB GLN A 83 3.049 14.665 8.173 1.00 0.00 C ATOM 1231 CG GLN A 83 2.203 13.835 9.124 1.00 0.00 C ATOM 1232 CD GLN A 83 2.898 13.570 10.445 1.00 0.00 C ATOM 1233 OE1 GLN A 83 3.908 14.198 10.764 1.00 0.00 O ATOM 1234 NE2 GLN A 83 2.360 12.637 11.221 1.00 0.00 N ATOM 0 H GLN A 83 1.996 13.282 6.426 1.00 0.00 H new ATOM 0 HA GLN A 83 1.389 15.806 7.423 1.00 0.00 H new ATOM 0 HB2 GLN A 83 3.842 14.038 7.764 1.00 0.00 H new ATOM 0 HB3 GLN A 83 3.532 15.465 8.734 1.00 0.00 H new ATOM 0 HG2 GLN A 83 1.261 14.351 9.311 1.00 0.00 H new ATOM 0 HG3 GLN A 83 1.957 12.885 8.650 1.00 0.00 H new ATOM 0 HE21 GLN A 83 1.522 12.141 10.917 1.00 0.00 H new ATOM 0 HE22 GLN A 83 2.784 12.416 12.122 1.00 0.00 H new ATOM 1243 N LYS A 84 3.926 15.771 5.336 1.00 0.00 N ATOM 1244 CA LYS A 84 4.805 16.619 4.540 1.00 0.00 C ATOM 1245 C LYS A 84 4.066 17.186 3.332 1.00 0.00 C ATOM 1246 O LYS A 84 4.675 17.781 2.443 1.00 0.00 O ATOM 1247 CB LYS A 84 6.029 15.826 4.076 1.00 0.00 C ATOM 1248 CG LYS A 84 6.983 15.466 5.202 1.00 0.00 C ATOM 1249 CD LYS A 84 7.800 14.229 4.866 1.00 0.00 C ATOM 1250 CE LYS A 84 9.043 14.583 4.065 1.00 0.00 C ATOM 1251 NZ LYS A 84 9.932 13.404 3.871 1.00 0.00 N ATOM 0 H LYS A 84 3.990 14.776 5.119 1.00 0.00 H new ATOM 0 HA LYS A 84 5.133 17.449 5.166 1.00 0.00 H new ATOM 0 HB2 LYS A 84 5.695 14.911 3.588 1.00 0.00 H new ATOM 0 HB3 LYS A 84 6.567 16.408 3.328 1.00 0.00 H new ATOM 0 HG2 LYS A 84 7.653 16.304 5.395 1.00 0.00 H new ATOM 0 HG3 LYS A 84 6.418 15.292 6.118 1.00 0.00 H new ATOM 0 HD2 LYS A 84 8.091 13.723 5.786 1.00 0.00 H new ATOM 0 HD3 LYS A 84 7.187 13.530 4.298 1.00 0.00 H new ATOM 0 HE2 LYS A 84 8.748 14.979 3.093 1.00 0.00 H new ATOM 0 HE3 LYS A 84 9.593 15.372 4.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 10.497 13.534 3.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 10.567 13.309 4.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 9.354 12.544 3.780 1.00 0.00 H new ATOM 1265 N GLY A 85 2.750 17.000 3.307 1.00 0.00 N ATOM 1266 CA GLY A 85 1.950 17.501 2.205 1.00 0.00 C ATOM 1267 C GLY A 85 2.320 16.860 0.882 1.00 0.00 C ATOM 1268 O GLY A 85 2.269 17.505 -0.164 1.00 0.00 O ATOM 0 H GLY A 85 2.223 16.511 4.031 1.00 0.00 H new ATOM 0 HA2 GLY A 85 0.896 17.317 2.412 1.00 0.00 H new ATOM 0 HA3 GLY A 85 2.076 18.581 2.130 1.00 0.00 H new ATOM 1272 N LEU A 86 2.697 15.586 0.929 1.00 0.00 N ATOM 1273 CA LEU A 86 3.079 14.857 -0.276 1.00 0.00 C ATOM 1274 C LEU A 86 1.948 13.948 -0.743 1.00 0.00 C ATOM 1275 O LEU A 86 1.735 13.770 -1.942 1.00 0.00 O ATOM 1276 CB LEU A 86 4.341 14.031 -0.017 1.00 0.00 C ATOM 1277 CG LEU A 86 5.495 14.797 0.631 1.00 0.00 C ATOM 1278 CD1 LEU A 86 6.561 13.835 1.129 1.00 0.00 C ATOM 1279 CD2 LEU A 86 6.091 15.793 -0.353 1.00 0.00 C ATOM 0 H LEU A 86 2.746 15.037 1.787 1.00 0.00 H new ATOM 0 HA LEU A 86 3.283 15.584 -1.062 1.00 0.00 H new ATOM 0 HB2 LEU A 86 4.080 13.188 0.623 1.00 0.00 H new ATOM 0 HB3 LEU A 86 4.687 13.617 -0.964 1.00 0.00 H new ATOM 0 HG LEU A 86 5.105 15.349 1.486 1.00 0.00 H new ATOM 0 HD11 LEU A 86 7.374 14.398 1.587 1.00 0.00 H new ATOM 0 HD12 LEU A 86 6.126 13.160 1.867 1.00 0.00 H new ATOM 0 HD13 LEU A 86 6.948 13.255 0.291 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.911 16.330 0.124 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.466 15.261 -1.227 1.00 0.00 H new ATOM 0 HD23 LEU A 86 5.324 16.503 -0.662 1.00 0.00 H new ATOM 1291 N LEU A 87 1.225 13.373 0.213 1.00 0.00 N ATOM 1292 CA LEU A 87 0.115 12.481 -0.100 1.00 0.00 C ATOM 1293 C LEU A 87 -1.223 13.162 0.168 1.00 0.00 C ATOM 1294 O LEU A 87 -1.377 13.887 1.151 1.00 0.00 O ATOM 1295 CB LEU A 87 0.221 11.194 0.722 1.00 0.00 C ATOM 1296 CG LEU A 87 -0.700 10.060 0.271 1.00 0.00 C ATOM 1297 CD1 LEU A 87 -0.140 9.378 -0.968 1.00 0.00 C ATOM 1298 CD2 LEU A 87 -0.893 9.053 1.394 1.00 0.00 C ATOM 0 H LEU A 87 1.388 13.509 1.211 1.00 0.00 H new ATOM 0 HA LEU A 87 0.168 12.232 -1.160 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.252 10.841 0.685 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.001 11.427 1.764 1.00 0.00 H new ATOM 0 HG LEU A 87 -1.672 10.485 0.019 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -0.809 8.574 -1.274 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -0.053 10.105 -1.776 1.00 0.00 H new ATOM 0 HD13 LEU A 87 0.844 8.966 -0.743 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -1.551 8.253 1.056 1.00 0.00 H new ATOM 0 HD22 LEU A 87 0.073 8.634 1.677 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -1.339 9.550 2.256 1.00 0.00 H new ATOM 1310 N PHE A 88 -2.189 12.923 -0.712 1.00 0.00 N ATOM 1311 CA PHE A 88 -3.515 13.514 -0.572 1.00 0.00 C ATOM 1312 C PHE A 88 -4.358 12.727 0.427 1.00 0.00 C ATOM 1313 O PHE A 88 -5.157 13.300 1.168 1.00 0.00 O ATOM 1314 CB PHE A 88 -4.222 13.561 -1.928 1.00 0.00 C ATOM 1315 CG PHE A 88 -4.965 12.299 -2.261 1.00 0.00 C ATOM 1316 CD1 PHE A 88 -4.309 11.078 -2.281 1.00 0.00 C ATOM 1317 CD2 PHE A 88 -6.319 12.333 -2.553 1.00 0.00 C ATOM 1318 CE1 PHE A 88 -4.990 9.915 -2.587 1.00 0.00 C ATOM 1319 CE2 PHE A 88 -7.005 11.172 -2.858 1.00 0.00 C ATOM 1320 CZ PHE A 88 -6.339 9.962 -2.876 1.00 0.00 C ATOM 0 H PHE A 88 -2.079 12.324 -1.530 1.00 0.00 H new ATOM 0 HA PHE A 88 -3.395 14.531 -0.198 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -4.921 14.397 -1.935 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -3.484 13.755 -2.707 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -3.254 11.035 -2.055 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -6.844 13.277 -2.542 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -4.467 8.970 -2.600 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -8.061 11.211 -3.082 1.00 0.00 H new ATOM 0 HZ PHE A 88 -6.873 9.054 -3.116 1.00 0.00 H new ATOM 1330 N SER A 89 -4.173 11.411 0.441 1.00 0.00 N ATOM 1331 CA SER A 89 -4.920 10.544 1.345 1.00 0.00 C ATOM 1332 C SER A 89 -6.419 10.800 1.229 1.00 0.00 C ATOM 1333 O SER A 89 -7.116 10.940 2.233 1.00 0.00 O ATOM 1334 CB SER A 89 -4.464 10.764 2.789 1.00 0.00 C ATOM 1335 OG SER A 89 -3.269 10.052 3.060 1.00 0.00 O ATOM 0 H SER A 89 -3.513 10.922 -0.163 1.00 0.00 H new ATOM 0 HA SER A 89 -4.723 9.510 1.062 1.00 0.00 H new ATOM 0 HB2 SER A 89 -4.305 11.828 2.966 1.00 0.00 H new ATOM 0 HB3 SER A 89 -5.247 10.440 3.474 1.00 0.00 H new ATOM 0 HG SER A 89 -2.615 10.655 3.472 1.00 0.00 H new ATOM 1341 N GLY A 90 -6.909 10.859 -0.006 1.00 0.00 N ATOM 1342 CA GLY A 90 -8.323 11.098 -0.232 1.00 0.00 C ATOM 1343 C GLY A 90 -8.674 12.572 -0.197 1.00 0.00 C ATOM 1344 O GLY A 90 -7.802 13.441 -0.189 1.00 0.00 O ATOM 0 H GLY A 90 -6.353 10.746 -0.853 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -8.609 10.682 -1.198 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -8.903 10.571 0.526 1.00 0.00 H new ATOM 1348 N PRO A 91 -9.981 12.873 -0.178 1.00 0.00 N ATOM 1349 CA PRO A 91 -10.476 14.252 -0.145 1.00 0.00 C ATOM 1350 C PRO A 91 -10.200 14.936 1.189 1.00 0.00 C ATOM 1351 O PRO A 91 -10.608 14.449 2.243 1.00 0.00 O ATOM 1352 CB PRO A 91 -11.983 14.094 -0.363 1.00 0.00 C ATOM 1353 CG PRO A 91 -12.293 12.719 0.120 1.00 0.00 C ATOM 1354 CD PRO A 91 -11.077 11.889 -0.186 1.00 0.00 C ATOM 0 HA PRO A 91 -9.987 14.878 -0.891 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -12.544 14.845 0.193 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -12.246 14.213 -1.414 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -12.506 12.720 1.189 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -13.175 12.319 -0.381 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -10.923 11.111 0.561 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -11.163 11.391 -1.152 1.00 0.00 H new ATOM 1362 N SER A 92 -9.503 16.067 1.136 1.00 0.00 N ATOM 1363 CA SER A 92 -9.169 16.816 2.342 1.00 0.00 C ATOM 1364 C SER A 92 -10.335 17.700 2.773 1.00 0.00 C ATOM 1365 O SER A 92 -10.589 18.746 2.176 1.00 0.00 O ATOM 1366 CB SER A 92 -7.924 17.673 2.107 1.00 0.00 C ATOM 1367 OG SER A 92 -6.741 16.923 2.317 1.00 0.00 O ATOM 0 H SER A 92 -9.159 16.484 0.271 1.00 0.00 H new ATOM 0 HA SER A 92 -8.964 16.101 3.139 1.00 0.00 H new ATOM 0 HB2 SER A 92 -7.935 18.064 1.090 1.00 0.00 H new ATOM 0 HB3 SER A 92 -7.938 18.532 2.778 1.00 0.00 H new ATOM 0 HG SER A 92 -5.960 17.493 2.159 1.00 0.00 H new ATOM 1373 N SER A 93 -11.041 17.271 3.814 1.00 0.00 N ATOM 1374 CA SER A 93 -12.184 18.021 4.324 1.00 0.00 C ATOM 1375 C SER A 93 -11.756 19.405 4.801 1.00 0.00 C ATOM 1376 O SER A 93 -12.236 20.422 4.302 1.00 0.00 O ATOM 1377 CB SER A 93 -12.851 17.258 5.470 1.00 0.00 C ATOM 1378 OG SER A 93 -14.224 17.591 5.573 1.00 0.00 O ATOM 0 H SER A 93 -10.842 16.409 4.321 1.00 0.00 H new ATOM 0 HA SER A 93 -12.900 18.141 3.511 1.00 0.00 H new ATOM 0 HB2 SER A 93 -12.745 16.185 5.307 1.00 0.00 H new ATOM 0 HB3 SER A 93 -12.346 17.490 6.408 1.00 0.00 H new ATOM 0 HG SER A 93 -14.628 17.089 6.311 1.00 0.00 H new ATOM 1384 N GLY A 94 -10.847 19.436 5.771 1.00 0.00 N ATOM 1385 CA GLY A 94 -10.369 20.699 6.301 1.00 0.00 C ATOM 1386 C GLY A 94 -10.361 20.727 7.816 1.00 0.00 C ATOM 1387 O GLY A 94 -11.413 20.832 8.447 1.00 0.00 O ATOM 0 H GLY A 94 -10.433 18.608 6.199 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -9.360 20.886 5.932 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -10.999 21.507 5.929 1.00 0.00 H new TER 1391 GLY A 94