USER MOD reduce.3.24.130724 H: found=0, std=0, add=695, rem=0, adj=25 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 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 89 SER OG : rot -56:sc= 0.706 USER MOD Set 2.1: A 14 SER OG : rot -18:sc= 1.01 USER MOD Set 2.2: A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -121:sc= 0.0847 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -0.0114 K(o=-0.011,f=-1.2) USER MOD Single : A 20 THR OG1 : rot -32:sc= 0.772 USER MOD Single : A 21 CYS SG : rot -100:sc= -1.23 USER MOD Single : A 23 LYS NZ :NH3+ 139:sc= -0.354 (180deg=-2.13!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.0345 USER MOD Single : A 30 GLN : amide:sc= -2.31! K(o=-2.3!,f=-0.98) USER MOD Single : A 32 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0619) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= -0.0955 (180deg=-0.0955) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -153:sc= -0.583 (180deg=-1.3) USER MOD Single : A 41 CYS SG : rot -74:sc= -2.48 USER MOD Single : A 43 GLN : amide:sc= 0.154 K(o=0.15,f=-0.57) USER MOD Single : A 44 ASN : amide:sc= -2.99 K(o=-3,f=-11!) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.529 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -1.18 X(o=-1.2,f=-1.4) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot -140:sc= -0.614 USER MOD Single : A 65 LYS NZ :NH3+ -157:sc= -0.0762 (180deg=-0.501) USER MOD Single : A 73 CYS SG : rot 73:sc= -0.583 USER MOD Single : A 74 ASN : amide:sc= -1.84 K(o=-1.8,f=-7.6!) USER MOD Single : A 77 THR OG1 : rot 180:sc= -0.102 USER MOD Single : A 80 HIS : no HD1:sc= -0.229 X(o=-0.23,f=-0.013) USER MOD Single : A 83 GLN : amide:sc=-0.00718 X(o=-0.0072,f=-0.44) USER MOD Single : A 84 LYS NZ :NH3+ 165:sc=-0.00293 (180deg=-0.156) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= -0.141 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.121 0.302 -20.513 1.00 0.00 N ATOM 2 CA GLY A 1 8.300 0.189 -21.352 1.00 0.00 C ATOM 3 C GLY A 1 9.404 1.138 -20.930 1.00 0.00 C ATOM 4 O GLY A 1 9.277 1.843 -19.929 1.00 0.00 O ATOM 0 H1 GLY A 1 6.920 -0.618 -20.071 1.00 0.00 H new ATOM 0 H2 GLY A 1 7.289 1.013 -19.773 1.00 0.00 H new ATOM 0 H3 GLY A 1 6.308 0.592 -21.094 1.00 0.00 H new ATOM 0 HA2 GLY A 1 8.672 -0.835 -21.315 1.00 0.00 H new ATOM 0 HA3 GLY A 1 8.026 0.392 -22.387 1.00 0.00 H new ATOM 8 N SER A 2 10.491 1.155 -21.695 1.00 0.00 N ATOM 9 CA SER A 2 11.625 2.020 -21.392 1.00 0.00 C ATOM 10 C SER A 2 11.161 3.446 -21.111 1.00 0.00 C ATOM 11 O SER A 2 11.514 4.037 -20.091 1.00 0.00 O ATOM 12 CB SER A 2 12.622 2.015 -22.553 1.00 0.00 C ATOM 13 OG SER A 2 13.517 0.921 -22.452 1.00 0.00 O ATOM 0 H SER A 2 10.610 0.580 -22.529 1.00 0.00 H new ATOM 0 HA SER A 2 12.116 1.634 -20.499 1.00 0.00 H new ATOM 0 HB2 SER A 2 12.083 1.962 -23.499 1.00 0.00 H new ATOM 0 HB3 SER A 2 13.184 2.949 -22.558 1.00 0.00 H new ATOM 0 HG SER A 2 14.142 0.939 -23.206 1.00 0.00 H new ATOM 19 N SER A 3 10.366 3.993 -22.026 1.00 0.00 N ATOM 20 CA SER A 3 9.855 5.351 -21.880 1.00 0.00 C ATOM 21 C SER A 3 8.375 5.338 -21.510 1.00 0.00 C ATOM 22 O SER A 3 7.547 4.792 -22.238 1.00 0.00 O ATOM 23 CB SER A 3 10.062 6.138 -23.176 1.00 0.00 C ATOM 24 OG SER A 3 9.507 7.438 -23.077 1.00 0.00 O ATOM 0 H SER A 3 10.062 3.517 -22.875 1.00 0.00 H new ATOM 0 HA SER A 3 10.408 5.837 -21.076 1.00 0.00 H new ATOM 0 HB2 SER A 3 11.127 6.210 -23.395 1.00 0.00 H new ATOM 0 HB3 SER A 3 9.601 5.604 -24.007 1.00 0.00 H new ATOM 0 HG SER A 3 9.654 7.921 -23.917 1.00 0.00 H new ATOM 30 N GLY A 4 8.050 5.945 -20.372 1.00 0.00 N ATOM 31 CA GLY A 4 6.671 5.992 -19.924 1.00 0.00 C ATOM 32 C GLY A 4 6.407 7.148 -18.980 1.00 0.00 C ATOM 33 O GLY A 4 5.655 8.066 -19.306 1.00 0.00 O ATOM 0 H GLY A 4 8.718 6.405 -19.753 1.00 0.00 H new ATOM 0 HA2 GLY A 4 6.014 6.076 -20.789 1.00 0.00 H new ATOM 0 HA3 GLY A 4 6.422 5.055 -19.425 1.00 0.00 H new ATOM 37 N SER A 5 7.026 7.102 -17.804 1.00 0.00 N ATOM 38 CA SER A 5 6.849 8.151 -16.806 1.00 0.00 C ATOM 39 C SER A 5 8.199 8.652 -16.301 1.00 0.00 C ATOM 40 O SER A 5 9.080 7.862 -15.962 1.00 0.00 O ATOM 41 CB SER A 5 6.013 7.634 -15.634 1.00 0.00 C ATOM 42 OG SER A 5 5.975 8.579 -14.579 1.00 0.00 O ATOM 0 H SER A 5 7.654 6.350 -17.519 1.00 0.00 H new ATOM 0 HA SER A 5 6.325 8.982 -17.277 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.999 7.421 -15.972 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.431 6.695 -15.271 1.00 0.00 H new ATOM 0 HG SER A 5 5.433 8.226 -13.843 1.00 0.00 H new ATOM 48 N SER A 6 8.353 9.971 -16.254 1.00 0.00 N ATOM 49 CA SER A 6 9.596 10.580 -15.794 1.00 0.00 C ATOM 50 C SER A 6 9.391 11.294 -14.461 1.00 0.00 C ATOM 51 O SER A 6 8.334 11.870 -14.210 1.00 0.00 O ATOM 52 CB SER A 6 10.123 11.566 -16.838 1.00 0.00 C ATOM 53 OG SER A 6 9.175 12.587 -17.099 1.00 0.00 O ATOM 0 H SER A 6 7.633 10.639 -16.529 1.00 0.00 H new ATOM 0 HA SER A 6 10.329 9.786 -15.652 1.00 0.00 H new ATOM 0 HB2 SER A 6 11.054 12.011 -16.486 1.00 0.00 H new ATOM 0 HB3 SER A 6 10.353 11.034 -17.761 1.00 0.00 H new ATOM 0 HG SER A 6 9.536 13.205 -17.768 1.00 0.00 H new ATOM 59 N GLY A 7 10.411 11.250 -13.610 1.00 0.00 N ATOM 60 CA GLY A 7 10.324 11.895 -12.314 1.00 0.00 C ATOM 61 C GLY A 7 10.764 10.987 -11.183 1.00 0.00 C ATOM 62 O GLY A 7 9.993 10.153 -10.712 1.00 0.00 O ATOM 0 H GLY A 7 11.296 10.779 -13.795 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.942 12.793 -12.316 1.00 0.00 H new ATOM 0 HA3 GLY A 7 9.297 12.216 -12.140 1.00 0.00 H new ATOM 66 N ASN A 8 12.009 11.148 -10.747 1.00 0.00 N ATOM 67 CA ASN A 8 12.552 10.334 -9.665 1.00 0.00 C ATOM 68 C ASN A 8 11.613 10.330 -8.463 1.00 0.00 C ATOM 69 O ASN A 8 11.022 9.304 -8.127 1.00 0.00 O ATOM 70 CB ASN A 8 13.930 10.854 -9.250 1.00 0.00 C ATOM 71 CG ASN A 8 14.984 10.611 -10.312 1.00 0.00 C ATOM 72 OD1 ASN A 8 14.871 9.685 -11.115 1.00 0.00 O ATOM 73 ND2 ASN A 8 16.017 11.446 -10.321 1.00 0.00 N ATOM 0 H ASN A 8 12.661 11.835 -11.126 1.00 0.00 H new ATOM 0 HA ASN A 8 12.652 9.311 -10.028 1.00 0.00 H new ATOM 0 HB2 ASN A 8 13.865 11.922 -9.044 1.00 0.00 H new ATOM 0 HB3 ASN A 8 14.234 10.369 -8.323 1.00 0.00 H new ATOM 0 HD21 ASN A 8 16.758 11.333 -11.013 1.00 0.00 H new ATOM 0 HD22 ASN A 8 16.069 12.200 -9.636 1.00 0.00 H new ATOM 80 N ASP A 9 11.481 11.485 -7.820 1.00 0.00 N ATOM 81 CA ASP A 9 10.612 11.617 -6.656 1.00 0.00 C ATOM 82 C ASP A 9 9.392 12.472 -6.982 1.00 0.00 C ATOM 83 O ASP A 9 8.641 12.865 -6.090 1.00 0.00 O ATOM 84 CB ASP A 9 11.382 12.230 -5.485 1.00 0.00 C ATOM 85 CG ASP A 9 11.775 13.671 -5.742 1.00 0.00 C ATOM 86 OD1 ASP A 9 12.758 13.895 -6.479 1.00 0.00 O ATOM 87 OD2 ASP A 9 11.100 14.575 -5.206 1.00 0.00 O ATOM 0 H ASP A 9 11.964 12.343 -8.085 1.00 0.00 H new ATOM 0 HA ASP A 9 10.270 10.621 -6.374 1.00 0.00 H new ATOM 0 HB2 ASP A 9 10.770 12.178 -4.585 1.00 0.00 H new ATOM 0 HB3 ASP A 9 12.279 11.640 -5.295 1.00 0.00 H new ATOM 92 N ALA A 10 9.202 12.758 -8.266 1.00 0.00 N ATOM 93 CA ALA A 10 8.073 13.566 -8.710 1.00 0.00 C ATOM 94 C ALA A 10 6.810 12.721 -8.839 1.00 0.00 C ATOM 95 O ALA A 10 5.850 13.118 -9.499 1.00 0.00 O ATOM 96 CB ALA A 10 8.396 14.242 -10.034 1.00 0.00 C ATOM 0 H ALA A 10 9.816 12.442 -9.017 1.00 0.00 H new ATOM 0 HA ALA A 10 7.890 14.334 -7.958 1.00 0.00 H new ATOM 0 HB1 ALA A 10 7.544 14.842 -10.354 1.00 0.00 H new ATOM 0 HB2 ALA A 10 9.267 14.885 -9.911 1.00 0.00 H new ATOM 0 HB3 ALA A 10 8.609 13.484 -10.787 1.00 0.00 H new ATOM 102 N VAL A 11 6.818 11.553 -8.205 1.00 0.00 N ATOM 103 CA VAL A 11 5.673 10.651 -8.249 1.00 0.00 C ATOM 104 C VAL A 11 4.406 11.348 -7.765 1.00 0.00 C ATOM 105 O VAL A 11 3.315 11.103 -8.280 1.00 0.00 O ATOM 106 CB VAL A 11 5.914 9.395 -7.391 1.00 0.00 C ATOM 107 CG1 VAL A 11 6.203 9.781 -5.948 1.00 0.00 C ATOM 108 CG2 VAL A 11 4.719 8.457 -7.472 1.00 0.00 C ATOM 0 H VAL A 11 7.605 11.209 -7.655 1.00 0.00 H new ATOM 0 HA VAL A 11 5.546 10.352 -9.289 1.00 0.00 H new ATOM 0 HB VAL A 11 6.785 8.870 -7.783 1.00 0.00 H new ATOM 0 HG11 VAL A 11 6.371 8.881 -5.357 1.00 0.00 H new ATOM 0 HG12 VAL A 11 7.092 10.410 -5.911 1.00 0.00 H new ATOM 0 HG13 VAL A 11 5.353 10.329 -5.541 1.00 0.00 H new ATOM 0 HG21 VAL A 11 4.907 7.575 -6.860 1.00 0.00 H new ATOM 0 HG22 VAL A 11 3.829 8.969 -7.107 1.00 0.00 H new ATOM 0 HG23 VAL A 11 4.564 8.154 -8.507 1.00 0.00 H new ATOM 118 N ASP A 12 4.559 12.218 -6.772 1.00 0.00 N ATOM 119 CA ASP A 12 3.427 12.953 -6.219 1.00 0.00 C ATOM 120 C ASP A 12 2.544 13.509 -7.331 1.00 0.00 C ATOM 121 O ASP A 12 1.359 13.773 -7.124 1.00 0.00 O ATOM 122 CB ASP A 12 3.919 14.091 -5.324 1.00 0.00 C ATOM 123 CG ASP A 12 2.821 14.651 -4.442 1.00 0.00 C ATOM 124 OD1 ASP A 12 1.736 14.968 -4.973 1.00 0.00 O ATOM 125 OD2 ASP A 12 3.046 14.771 -3.220 1.00 0.00 O ATOM 0 H ASP A 12 5.455 12.431 -6.334 1.00 0.00 H new ATOM 0 HA ASP A 12 2.834 12.261 -5.621 1.00 0.00 H new ATOM 0 HB2 ASP A 12 4.735 13.730 -4.698 1.00 0.00 H new ATOM 0 HB3 ASP A 12 4.324 14.889 -5.946 1.00 0.00 H new ATOM 130 N PHE A 13 3.128 13.685 -8.512 1.00 0.00 N ATOM 131 CA PHE A 13 2.395 14.212 -9.657 1.00 0.00 C ATOM 132 C PHE A 13 1.430 13.168 -10.211 1.00 0.00 C ATOM 133 O PHE A 13 0.258 13.457 -10.454 1.00 0.00 O ATOM 134 CB PHE A 13 3.367 14.657 -10.751 1.00 0.00 C ATOM 135 CG PHE A 13 2.756 15.598 -11.749 1.00 0.00 C ATOM 136 CD1 PHE A 13 2.440 16.899 -11.392 1.00 0.00 C ATOM 137 CD2 PHE A 13 2.496 15.181 -13.045 1.00 0.00 C ATOM 138 CE1 PHE A 13 1.878 17.768 -12.309 1.00 0.00 C ATOM 139 CE2 PHE A 13 1.934 16.046 -13.966 1.00 0.00 C ATOM 140 CZ PHE A 13 1.624 17.340 -13.597 1.00 0.00 C ATOM 0 H PHE A 13 4.107 13.470 -8.701 1.00 0.00 H new ATOM 0 HA PHE A 13 1.818 15.074 -9.322 1.00 0.00 H new ATOM 0 HB2 PHE A 13 4.227 15.140 -10.287 1.00 0.00 H new ATOM 0 HB3 PHE A 13 3.740 13.777 -11.275 1.00 0.00 H new ATOM 0 HD1 PHE A 13 2.635 17.238 -10.385 1.00 0.00 H new ATOM 0 HD2 PHE A 13 2.735 14.170 -13.339 1.00 0.00 H new ATOM 0 HE1 PHE A 13 1.638 18.780 -12.018 1.00 0.00 H new ATOM 0 HE2 PHE A 13 1.738 15.710 -14.973 1.00 0.00 H new ATOM 0 HZ PHE A 13 1.184 18.016 -14.315 1.00 0.00 H new ATOM 150 N SER A 14 1.932 11.953 -10.410 1.00 0.00 N ATOM 151 CA SER A 14 1.116 10.867 -10.940 1.00 0.00 C ATOM 152 C SER A 14 0.067 10.429 -9.923 1.00 0.00 C ATOM 153 O SER A 14 0.290 10.455 -8.713 1.00 0.00 O ATOM 154 CB SER A 14 2.000 9.678 -11.323 1.00 0.00 C ATOM 155 OG SER A 14 2.754 9.224 -10.212 1.00 0.00 O ATOM 0 H SER A 14 2.899 11.696 -10.212 1.00 0.00 H new ATOM 0 HA SER A 14 0.603 11.231 -11.830 1.00 0.00 H new ATOM 0 HB2 SER A 14 1.379 8.866 -11.701 1.00 0.00 H new ATOM 0 HB3 SER A 14 2.673 9.967 -12.130 1.00 0.00 H new ATOM 0 HG SER A 14 2.776 9.922 -9.525 1.00 0.00 H new ATOM 161 N PRO A 15 -1.106 10.016 -10.425 1.00 0.00 N ATOM 162 CA PRO A 15 -2.214 9.563 -9.579 1.00 0.00 C ATOM 163 C PRO A 15 -1.921 8.227 -8.905 1.00 0.00 C ATOM 164 O PRO A 15 -2.764 7.679 -8.194 1.00 0.00 O ATOM 165 CB PRO A 15 -3.378 9.422 -10.563 1.00 0.00 C ATOM 166 CG PRO A 15 -2.730 9.184 -11.884 1.00 0.00 C ATOM 167 CD PRO A 15 -1.441 9.958 -11.858 1.00 0.00 C ATOM 0 HA PRO A 15 -2.411 10.256 -8.761 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -4.031 8.594 -10.288 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -3.993 10.322 -10.580 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -2.544 8.122 -12.042 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -3.371 9.520 -12.699 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -0.661 9.459 -12.433 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -1.562 10.954 -12.283 1.00 0.00 H new ATOM 175 N THR A 16 -0.719 7.706 -9.132 1.00 0.00 N ATOM 176 CA THR A 16 -0.314 6.434 -8.548 1.00 0.00 C ATOM 177 C THR A 16 0.898 6.607 -7.640 1.00 0.00 C ATOM 178 O THR A 16 1.797 7.395 -7.932 1.00 0.00 O ATOM 179 CB THR A 16 0.017 5.396 -9.636 1.00 0.00 C ATOM 180 OG1 THR A 16 0.957 5.944 -10.566 1.00 0.00 O ATOM 181 CG2 THR A 16 -1.242 4.965 -10.374 1.00 0.00 C ATOM 0 H THR A 16 -0.009 8.146 -9.717 1.00 0.00 H new ATOM 0 HA THR A 16 -1.157 6.074 -7.959 1.00 0.00 H new ATOM 0 HB THR A 16 0.453 4.522 -9.152 1.00 0.00 H new ATOM 0 HG1 THR A 16 1.164 5.277 -11.254 1.00 0.00 H new ATOM 0 HG21 THR A 16 -0.983 4.232 -11.138 1.00 0.00 H new ATOM 0 HG22 THR A 16 -1.944 4.521 -9.668 1.00 0.00 H new ATOM 0 HG23 THR A 16 -1.702 5.833 -10.846 1.00 0.00 H new ATOM 189 N LEU A 17 0.918 5.864 -6.538 1.00 0.00 N ATOM 190 CA LEU A 17 2.021 5.934 -5.588 1.00 0.00 C ATOM 191 C LEU A 17 2.472 4.538 -5.172 1.00 0.00 C ATOM 192 O LEU A 17 1.662 3.638 -4.949 1.00 0.00 O ATOM 193 CB LEU A 17 1.608 6.739 -4.353 1.00 0.00 C ATOM 194 CG LEU A 17 1.010 8.114 -4.648 1.00 0.00 C ATOM 195 CD1 LEU A 17 0.475 8.749 -3.374 1.00 0.00 C ATOM 196 CD2 LEU A 17 2.047 9.017 -5.299 1.00 0.00 C ATOM 0 H LEU A 17 0.182 5.206 -6.281 1.00 0.00 H new ATOM 0 HA LEU A 17 2.857 6.435 -6.077 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.881 6.158 -3.785 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.481 6.869 -3.714 1.00 0.00 H new ATOM 0 HG LEU A 17 0.180 7.986 -5.342 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.053 9.727 -3.604 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.299 8.112 -2.947 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.287 8.864 -2.656 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.604 9.992 -5.502 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.897 9.137 -4.628 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.384 8.569 -6.234 1.00 0.00 H new ATOM 208 N PRO A 18 3.795 4.351 -5.065 1.00 0.00 N ATOM 209 CA PRO A 18 4.385 3.066 -4.675 1.00 0.00 C ATOM 210 C PRO A 18 4.120 2.727 -3.213 1.00 0.00 C ATOM 211 O PRO A 18 4.529 3.458 -2.311 1.00 0.00 O ATOM 212 CB PRO A 18 5.882 3.276 -4.913 1.00 0.00 C ATOM 213 CG PRO A 18 6.081 4.748 -4.796 1.00 0.00 C ATOM 214 CD PRO A 18 4.819 5.379 -5.316 1.00 0.00 C ATOM 0 HA PRO A 18 3.963 2.235 -5.240 1.00 0.00 H new ATOM 0 HB2 PRO A 18 6.479 2.736 -4.178 1.00 0.00 H new ATOM 0 HB3 PRO A 18 6.181 2.913 -5.896 1.00 0.00 H new ATOM 0 HG2 PRO A 18 6.263 5.036 -3.761 1.00 0.00 H new ATOM 0 HG3 PRO A 18 6.946 5.072 -5.374 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.591 6.309 -4.795 1.00 0.00 H new ATOM 0 HD3 PRO A 18 4.897 5.618 -6.377 1.00 0.00 H new ATOM 222 N VAL A 19 3.432 1.613 -2.983 1.00 0.00 N ATOM 223 CA VAL A 19 3.114 1.175 -1.629 1.00 0.00 C ATOM 224 C VAL A 19 3.646 -0.228 -1.366 1.00 0.00 C ATOM 225 O VAL A 19 3.705 -1.063 -2.270 1.00 0.00 O ATOM 226 CB VAL A 19 1.594 1.192 -1.377 1.00 0.00 C ATOM 227 CG1 VAL A 19 1.046 2.605 -1.510 1.00 0.00 C ATOM 228 CG2 VAL A 19 0.885 0.245 -2.332 1.00 0.00 C ATOM 0 H VAL A 19 3.084 0.997 -3.718 1.00 0.00 H new ATOM 0 HA VAL A 19 3.596 1.876 -0.948 1.00 0.00 H new ATOM 0 HB VAL A 19 1.409 0.850 -0.359 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -0.029 2.597 -1.329 1.00 0.00 H new ATOM 0 HG12 VAL A 19 1.532 3.254 -0.781 1.00 0.00 H new ATOM 0 HG13 VAL A 19 1.242 2.978 -2.515 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.188 0.270 -2.140 1.00 0.00 H new ATOM 0 HG22 VAL A 19 1.077 0.554 -3.360 1.00 0.00 H new ATOM 0 HG23 VAL A 19 1.257 -0.769 -2.182 1.00 0.00 H new ATOM 238 N THR A 20 4.033 -0.485 -0.120 1.00 0.00 N ATOM 239 CA THR A 20 4.561 -1.788 0.264 1.00 0.00 C ATOM 240 C THR A 20 4.096 -2.180 1.661 1.00 0.00 C ATOM 241 O THR A 20 4.163 -1.380 2.595 1.00 0.00 O ATOM 242 CB THR A 20 6.101 -1.803 0.224 1.00 0.00 C ATOM 243 OG1 THR A 20 6.621 -0.672 0.931 1.00 0.00 O ATOM 244 CG2 THR A 20 6.606 -1.786 -1.211 1.00 0.00 C ATOM 0 H THR A 20 3.990 0.193 0.641 1.00 0.00 H new ATOM 0 HA THR A 20 4.179 -2.510 -0.458 1.00 0.00 H new ATOM 0 HB THR A 20 6.445 -2.720 0.703 1.00 0.00 H new ATOM 0 HG1 THR A 20 6.002 0.082 0.842 1.00 0.00 H new ATOM 0 HG21 THR A 20 7.696 -1.797 -1.213 1.00 0.00 H new ATOM 0 HG22 THR A 20 6.233 -2.664 -1.738 1.00 0.00 H new ATOM 0 HG23 THR A 20 6.251 -0.885 -1.711 1.00 0.00 H new ATOM 252 N CYS A 21 3.626 -3.414 1.799 1.00 0.00 N ATOM 253 CA CYS A 21 3.149 -3.913 3.084 1.00 0.00 C ATOM 254 C CYS A 21 3.754 -5.277 3.396 1.00 0.00 C ATOM 255 O CYS A 21 3.395 -6.282 2.783 1.00 0.00 O ATOM 256 CB CYS A 21 1.623 -4.006 3.084 1.00 0.00 C ATOM 257 SG CYS A 21 0.890 -4.126 4.733 1.00 0.00 S ATOM 0 H CYS A 21 3.565 -4.088 1.036 1.00 0.00 H new ATOM 0 HA CYS A 21 3.463 -3.212 3.857 1.00 0.00 H new ATOM 0 HB2 CYS A 21 1.216 -3.129 2.580 1.00 0.00 H new ATOM 0 HB3 CYS A 21 1.323 -4.876 2.501 1.00 0.00 H new ATOM 0 HG CYS A 21 0.591 -5.366 4.986 1.00 0.00 H new ATOM 263 N GLY A 22 4.676 -5.306 4.354 1.00 0.00 N ATOM 264 CA GLY A 22 5.318 -6.552 4.729 1.00 0.00 C ATOM 265 C GLY A 22 6.028 -7.212 3.565 1.00 0.00 C ATOM 266 O GLY A 22 7.061 -6.727 3.102 1.00 0.00 O ATOM 0 H GLY A 22 4.990 -4.488 4.877 1.00 0.00 H new ATOM 0 HA2 GLY A 22 6.035 -6.361 5.527 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.570 -7.236 5.129 1.00 0.00 H new ATOM 270 N LYS A 23 5.476 -8.323 3.090 1.00 0.00 N ATOM 271 CA LYS A 23 6.063 -9.053 1.972 1.00 0.00 C ATOM 272 C LYS A 23 5.250 -8.843 0.698 1.00 0.00 C ATOM 273 O LYS A 23 5.374 -9.604 -0.261 1.00 0.00 O ATOM 274 CB LYS A 23 6.145 -10.546 2.297 1.00 0.00 C ATOM 275 CG LYS A 23 4.796 -11.177 2.598 1.00 0.00 C ATOM 276 CD LYS A 23 4.943 -12.422 3.458 1.00 0.00 C ATOM 277 CE LYS A 23 5.395 -13.618 2.635 1.00 0.00 C ATOM 278 NZ LYS A 23 6.844 -13.545 2.300 1.00 0.00 N ATOM 0 H LYS A 23 4.622 -8.738 3.462 1.00 0.00 H new ATOM 0 HA LYS A 23 7.069 -8.668 1.808 1.00 0.00 H new ATOM 0 HB2 LYS A 23 6.602 -11.068 1.456 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.803 -10.687 3.155 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.161 -10.454 3.109 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.297 -11.436 1.664 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.664 -12.233 4.253 1.00 0.00 H new ATOM 0 HD3 LYS A 23 3.991 -12.648 3.938 1.00 0.00 H new ATOM 0 HE2 LYS A 23 5.196 -14.536 3.188 1.00 0.00 H new ATOM 0 HE3 LYS A 23 4.812 -13.667 1.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 7.271 -14.488 2.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 6.958 -13.213 1.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.317 -12.882 2.947 1.00 0.00 H new ATOM 292 N ALA A 24 4.420 -7.805 0.696 1.00 0.00 N ATOM 293 CA ALA A 24 3.590 -7.493 -0.461 1.00 0.00 C ATOM 294 C ALA A 24 3.967 -6.142 -1.060 1.00 0.00 C ATOM 295 O ALA A 24 4.453 -5.255 -0.358 1.00 0.00 O ATOM 296 CB ALA A 24 2.119 -7.509 -0.075 1.00 0.00 C ATOM 0 H ALA A 24 4.305 -7.166 1.483 1.00 0.00 H new ATOM 0 HA ALA A 24 3.764 -8.258 -1.218 1.00 0.00 H new ATOM 0 HB1 ALA A 24 1.511 -7.274 -0.949 1.00 0.00 H new ATOM 0 HB2 ALA A 24 1.852 -8.498 0.298 1.00 0.00 H new ATOM 0 HB3 ALA A 24 1.939 -6.767 0.702 1.00 0.00 H new ATOM 302 N LYS A 25 3.742 -5.993 -2.360 1.00 0.00 N ATOM 303 CA LYS A 25 4.057 -4.750 -3.054 1.00 0.00 C ATOM 304 C LYS A 25 2.994 -4.425 -4.099 1.00 0.00 C ATOM 305 O LYS A 25 2.556 -5.299 -4.845 1.00 0.00 O ATOM 306 CB LYS A 25 5.430 -4.849 -3.723 1.00 0.00 C ATOM 307 CG LYS A 25 6.529 -5.326 -2.788 1.00 0.00 C ATOM 308 CD LYS A 25 7.734 -5.837 -3.559 1.00 0.00 C ATOM 309 CE LYS A 25 8.544 -4.694 -4.150 1.00 0.00 C ATOM 310 NZ LYS A 25 9.339 -5.130 -5.331 1.00 0.00 N ATOM 0 H LYS A 25 3.342 -6.718 -2.955 1.00 0.00 H new ATOM 0 HA LYS A 25 4.075 -3.947 -2.317 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.364 -5.531 -4.570 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.702 -3.872 -4.121 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.834 -4.508 -2.136 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.144 -6.118 -2.146 1.00 0.00 H new ATOM 0 HD2 LYS A 25 8.367 -6.428 -2.897 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.402 -6.500 -4.358 1.00 0.00 H new ATOM 0 HE2 LYS A 25 7.873 -3.886 -4.442 1.00 0.00 H new ATOM 0 HE3 LYS A 25 9.214 -4.292 -3.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 9.877 -4.322 -5.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 9.998 -5.883 -5.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 8.698 -5.490 -6.067 1.00 0.00 H new ATOM 324 N GLY A 26 2.584 -3.161 -4.146 1.00 0.00 N ATOM 325 CA GLY A 26 1.577 -2.743 -5.104 1.00 0.00 C ATOM 326 C GLY A 26 1.650 -1.261 -5.413 1.00 0.00 C ATOM 327 O GLY A 26 2.719 -0.655 -5.337 1.00 0.00 O ATOM 0 H GLY A 26 2.931 -2.419 -3.538 1.00 0.00 H new ATOM 0 HA2 GLY A 26 1.701 -3.310 -6.027 1.00 0.00 H new ATOM 0 HA3 GLY A 26 0.588 -2.981 -4.714 1.00 0.00 H new ATOM 331 N THR A 27 0.510 -0.675 -5.765 1.00 0.00 N ATOM 332 CA THR A 27 0.450 0.745 -6.090 1.00 0.00 C ATOM 333 C THR A 27 -0.929 1.320 -5.787 1.00 0.00 C ATOM 334 O THR A 27 -1.948 0.768 -6.201 1.00 0.00 O ATOM 335 CB THR A 27 0.783 0.997 -7.573 1.00 0.00 C ATOM 336 OG1 THR A 27 2.080 0.471 -7.879 1.00 0.00 O ATOM 337 CG2 THR A 27 0.746 2.484 -7.891 1.00 0.00 C ATOM 0 H THR A 27 -0.384 -1.161 -5.832 1.00 0.00 H new ATOM 0 HA THR A 27 1.194 1.243 -5.468 1.00 0.00 H new ATOM 0 HB THR A 27 0.033 0.493 -8.182 1.00 0.00 H new ATOM 0 HG1 THR A 27 2.284 0.633 -8.824 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.984 2.637 -8.944 1.00 0.00 H new ATOM 0 HG22 THR A 27 -0.250 2.876 -7.684 1.00 0.00 H new ATOM 0 HG23 THR A 27 1.477 3.006 -7.274 1.00 0.00 H new ATOM 345 N LEU A 28 -0.954 2.433 -5.061 1.00 0.00 N ATOM 346 CA LEU A 28 -2.209 3.084 -4.703 1.00 0.00 C ATOM 347 C LEU A 28 -2.618 4.099 -5.765 1.00 0.00 C ATOM 348 O LEU A 28 -1.800 4.896 -6.226 1.00 0.00 O ATOM 349 CB LEU A 28 -2.079 3.774 -3.343 1.00 0.00 C ATOM 350 CG LEU A 28 -3.194 4.767 -3.012 1.00 0.00 C ATOM 351 CD1 LEU A 28 -4.336 4.067 -2.292 1.00 0.00 C ATOM 352 CD2 LEU A 28 -2.654 5.912 -2.170 1.00 0.00 C ATOM 0 H LEU A 28 -0.120 2.903 -4.709 1.00 0.00 H new ATOM 0 HA LEU A 28 -2.983 2.319 -4.642 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.051 3.010 -2.566 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.124 4.298 -3.308 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.578 5.178 -3.946 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.120 4.789 -2.065 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.741 3.281 -2.930 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.967 3.628 -1.365 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.461 6.609 -1.944 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.243 5.518 -1.240 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.870 6.431 -2.722 1.00 0.00 H new ATOM 364 N PHE A 29 -3.890 4.065 -6.149 1.00 0.00 N ATOM 365 CA PHE A 29 -4.409 4.981 -7.158 1.00 0.00 C ATOM 366 C PHE A 29 -5.387 5.976 -6.538 1.00 0.00 C ATOM 367 O PHE A 29 -6.541 5.643 -6.274 1.00 0.00 O ATOM 368 CB PHE A 29 -5.099 4.201 -8.279 1.00 0.00 C ATOM 369 CG PHE A 29 -4.155 3.366 -9.097 1.00 0.00 C ATOM 370 CD1 PHE A 29 -3.361 2.404 -8.495 1.00 0.00 C ATOM 371 CD2 PHE A 29 -4.063 3.544 -10.468 1.00 0.00 C ATOM 372 CE1 PHE A 29 -2.492 1.635 -9.245 1.00 0.00 C ATOM 373 CE2 PHE A 29 -3.196 2.777 -11.223 1.00 0.00 C ATOM 374 CZ PHE A 29 -2.410 1.821 -10.611 1.00 0.00 C ATOM 0 H PHE A 29 -4.580 3.413 -5.777 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.569 5.536 -7.575 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -5.861 3.554 -7.845 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -5.613 4.903 -8.936 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.422 2.253 -7.427 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -4.676 4.290 -10.952 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -1.877 0.889 -8.763 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.133 2.925 -12.291 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.732 1.220 -11.199 1.00 0.00 H new ATOM 384 N GLN A 30 -4.914 7.197 -6.310 1.00 0.00 N ATOM 385 CA GLN A 30 -5.746 8.239 -5.720 1.00 0.00 C ATOM 386 C GLN A 30 -7.129 8.259 -6.362 1.00 0.00 C ATOM 387 O GLN A 30 -8.134 8.476 -5.685 1.00 0.00 O ATOM 388 CB GLN A 30 -5.077 9.605 -5.879 1.00 0.00 C ATOM 389 CG GLN A 30 -3.564 9.563 -5.733 1.00 0.00 C ATOM 390 CD GLN A 30 -2.970 10.921 -5.417 1.00 0.00 C ATOM 391 OE1 GLN A 30 -2.901 11.797 -6.279 1.00 0.00 O ATOM 392 NE2 GLN A 30 -2.536 11.103 -4.174 1.00 0.00 N ATOM 0 H GLN A 30 -3.960 7.489 -6.525 1.00 0.00 H new ATOM 0 HA GLN A 30 -5.861 8.020 -4.658 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -5.328 10.011 -6.859 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -5.486 10.289 -5.136 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -3.299 8.862 -4.942 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -3.124 9.184 -6.656 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -2.613 10.349 -3.491 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -2.126 11.997 -3.903 1.00 0.00 H new ATOM 401 N GLU A 31 -7.172 8.033 -7.671 1.00 0.00 N ATOM 402 CA GLU A 31 -8.433 8.027 -8.403 1.00 0.00 C ATOM 403 C GLU A 31 -9.355 6.924 -7.891 1.00 0.00 C ATOM 404 O GLU A 31 -10.554 7.136 -7.708 1.00 0.00 O ATOM 405 CB GLU A 31 -8.178 7.839 -9.900 1.00 0.00 C ATOM 406 CG GLU A 31 -7.495 6.526 -10.241 1.00 0.00 C ATOM 407 CD GLU A 31 -7.393 6.292 -11.736 1.00 0.00 C ATOM 408 OE1 GLU A 31 -8.356 6.630 -12.456 1.00 0.00 O ATOM 409 OE2 GLU A 31 -6.352 5.770 -12.186 1.00 0.00 O ATOM 0 H GLU A 31 -6.349 7.852 -8.246 1.00 0.00 H new ATOM 0 HA GLU A 31 -8.921 8.988 -8.242 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -9.128 7.893 -10.431 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.563 8.663 -10.262 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -6.495 6.517 -9.807 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -8.048 5.704 -9.785 1.00 0.00 H new ATOM 416 N LYS A 32 -8.786 5.745 -7.663 1.00 0.00 N ATOM 417 CA LYS A 32 -9.554 4.607 -7.171 1.00 0.00 C ATOM 418 C LYS A 32 -9.697 4.663 -5.653 1.00 0.00 C ATOM 419 O LYS A 32 -10.456 3.894 -5.063 1.00 0.00 O ATOM 420 CB LYS A 32 -8.882 3.296 -7.583 1.00 0.00 C ATOM 421 CG LYS A 32 -9.303 2.801 -8.956 1.00 0.00 C ATOM 422 CD LYS A 32 -8.239 1.913 -9.579 1.00 0.00 C ATOM 423 CE LYS A 32 -8.612 1.509 -10.997 1.00 0.00 C ATOM 424 NZ LYS A 32 -9.828 0.649 -11.027 1.00 0.00 N ATOM 0 H LYS A 32 -7.795 5.553 -7.811 1.00 0.00 H new ATOM 0 HA LYS A 32 -10.549 4.653 -7.614 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -7.801 3.433 -7.571 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -9.115 2.530 -6.843 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -10.238 2.247 -8.873 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.494 3.653 -9.608 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -7.284 2.439 -9.588 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -8.105 1.020 -8.968 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -8.785 2.403 -11.596 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -7.778 0.976 -11.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -9.981 0.298 -11.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -9.699 -0.157 -10.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -10.654 1.205 -10.726 1.00 0.00 H new ATOM 438 N LEU A 33 -8.965 5.578 -5.027 1.00 0.00 N ATOM 439 CA LEU A 33 -9.012 5.734 -3.578 1.00 0.00 C ATOM 440 C LEU A 33 -10.089 6.736 -3.174 1.00 0.00 C ATOM 441 O LEU A 33 -10.722 6.596 -2.127 1.00 0.00 O ATOM 442 CB LEU A 33 -7.650 6.190 -3.049 1.00 0.00 C ATOM 443 CG LEU A 33 -7.508 6.173 -1.527 1.00 0.00 C ATOM 444 CD1 LEU A 33 -7.592 4.750 -0.999 1.00 0.00 C ATOM 445 CD2 LEU A 33 -6.198 6.823 -1.108 1.00 0.00 C ATOM 0 H LEU A 33 -8.332 6.223 -5.500 1.00 0.00 H new ATOM 0 HA LEU A 33 -9.259 4.767 -3.141 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.878 5.551 -3.478 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.459 7.202 -3.405 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.329 6.746 -1.097 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.489 4.758 0.086 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -8.556 4.318 -1.269 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.792 4.152 -1.435 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.113 6.803 -0.022 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.364 6.277 -1.548 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.178 7.856 -1.454 1.00 0.00 H new ATOM 457 N LYS A 34 -10.291 7.748 -4.010 1.00 0.00 N ATOM 458 CA LYS A 34 -11.292 8.774 -3.743 1.00 0.00 C ATOM 459 C LYS A 34 -12.622 8.145 -3.339 1.00 0.00 C ATOM 460 O LYS A 34 -13.273 8.600 -2.399 1.00 0.00 O ATOM 461 CB LYS A 34 -11.488 9.659 -4.976 1.00 0.00 C ATOM 462 CG LYS A 34 -10.386 10.687 -5.168 1.00 0.00 C ATOM 463 CD LYS A 34 -10.790 11.757 -6.168 1.00 0.00 C ATOM 464 CE LYS A 34 -10.522 11.313 -7.598 1.00 0.00 C ATOM 465 NZ LYS A 34 -9.118 11.591 -8.011 1.00 0.00 N ATOM 0 H LYS A 34 -9.774 7.880 -4.879 1.00 0.00 H new ATOM 0 HA LYS A 34 -10.934 9.388 -2.916 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -11.542 9.026 -5.862 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -12.445 10.175 -4.894 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -10.151 11.152 -4.211 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -9.479 10.190 -5.512 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -11.849 11.986 -6.049 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -10.240 12.675 -5.962 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -10.723 10.246 -7.691 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -11.207 11.826 -8.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -8.975 11.274 -8.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -8.933 12.612 -7.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -8.464 11.081 -7.384 1.00 0.00 H new ATOM 479 N GLN A 35 -13.017 7.097 -4.055 1.00 0.00 N ATOM 480 CA GLN A 35 -14.269 6.407 -3.769 1.00 0.00 C ATOM 481 C GLN A 35 -14.338 5.987 -2.305 1.00 0.00 C ATOM 482 O GLN A 35 -15.321 6.258 -1.616 1.00 0.00 O ATOM 483 CB GLN A 35 -14.416 5.180 -4.671 1.00 0.00 C ATOM 484 CG GLN A 35 -14.120 5.462 -6.135 1.00 0.00 C ATOM 485 CD GLN A 35 -14.712 4.418 -7.062 1.00 0.00 C ATOM 486 OE1 GLN A 35 -14.425 3.227 -6.938 1.00 0.00 O ATOM 487 NE2 GLN A 35 -15.542 4.860 -7.999 1.00 0.00 N ATOM 0 H GLN A 35 -12.489 6.708 -4.836 1.00 0.00 H new ATOM 0 HA GLN A 35 -15.089 7.097 -3.968 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -13.745 4.397 -4.318 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -15.431 4.794 -4.582 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -14.515 6.443 -6.399 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -13.041 5.503 -6.282 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -15.752 5.856 -8.066 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -15.970 4.204 -8.652 1.00 0.00 H new ATOM 496 N GLY A 36 -13.286 5.323 -1.835 1.00 0.00 N ATOM 497 CA GLY A 36 -13.248 4.876 -0.455 1.00 0.00 C ATOM 498 C GLY A 36 -12.067 3.968 -0.172 1.00 0.00 C ATOM 499 O GLY A 36 -11.460 3.423 -1.093 1.00 0.00 O ATOM 0 H GLY A 36 -12.460 5.087 -2.385 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -13.202 5.743 0.204 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -14.173 4.348 -0.222 1.00 0.00 H new ATOM 503 N ALA A 37 -11.739 3.807 1.106 1.00 0.00 N ATOM 504 CA ALA A 37 -10.623 2.959 1.507 1.00 0.00 C ATOM 505 C ALA A 37 -11.006 1.484 1.449 1.00 0.00 C ATOM 506 O ALA A 37 -10.261 0.621 1.913 1.00 0.00 O ATOM 507 CB ALA A 37 -10.155 3.330 2.907 1.00 0.00 C ATOM 0 H ALA A 37 -12.230 4.253 1.881 1.00 0.00 H new ATOM 0 HA ALA A 37 -9.804 3.123 0.806 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -9.321 2.689 3.194 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -9.833 4.371 2.919 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -10.975 3.196 3.612 1.00 0.00 H new ATOM 513 N SER A 38 -12.172 1.202 0.877 1.00 0.00 N ATOM 514 CA SER A 38 -12.655 -0.169 0.762 1.00 0.00 C ATOM 515 C SER A 38 -12.558 -0.660 -0.679 1.00 0.00 C ATOM 516 O SER A 38 -12.451 -1.860 -0.932 1.00 0.00 O ATOM 517 CB SER A 38 -14.103 -0.264 1.249 1.00 0.00 C ATOM 518 OG SER A 38 -14.558 -1.606 1.235 1.00 0.00 O ATOM 0 H SER A 38 -12.800 1.905 0.486 1.00 0.00 H new ATOM 0 HA SER A 38 -12.026 -0.804 1.387 1.00 0.00 H new ATOM 0 HB2 SER A 38 -14.177 0.138 2.259 1.00 0.00 H new ATOM 0 HB3 SER A 38 -14.744 0.348 0.614 1.00 0.00 H new ATOM 0 HG SER A 38 -15.485 -1.641 1.552 1.00 0.00 H new ATOM 524 N LYS A 39 -12.596 0.276 -1.621 1.00 0.00 N ATOM 525 CA LYS A 39 -12.511 -0.058 -3.037 1.00 0.00 C ATOM 526 C LYS A 39 -11.090 -0.466 -3.416 1.00 0.00 C ATOM 527 O LYS A 39 -10.119 0.150 -2.976 1.00 0.00 O ATOM 528 CB LYS A 39 -12.957 1.131 -3.891 1.00 0.00 C ATOM 529 CG LYS A 39 -14.335 1.657 -3.529 1.00 0.00 C ATOM 530 CD LYS A 39 -15.424 0.659 -3.884 1.00 0.00 C ATOM 531 CE LYS A 39 -15.816 0.760 -5.350 1.00 0.00 C ATOM 532 NZ LYS A 39 -16.724 -0.347 -5.759 1.00 0.00 N ATOM 0 H LYS A 39 -12.685 1.274 -1.429 1.00 0.00 H new ATOM 0 HA LYS A 39 -13.175 -0.902 -3.226 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -12.230 1.937 -3.785 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -12.954 0.835 -4.940 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -14.374 1.874 -2.462 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -14.516 2.596 -4.052 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -15.077 -0.352 -3.668 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -16.299 0.836 -3.259 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -16.306 1.717 -5.530 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -14.918 0.741 -5.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -16.968 -0.242 -6.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -16.247 -1.259 -5.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -17.592 -0.313 -5.187 1.00 0.00 H new ATOM 546 N LYS A 40 -10.976 -1.506 -4.235 1.00 0.00 N ATOM 547 CA LYS A 40 -9.675 -1.994 -4.676 1.00 0.00 C ATOM 548 C LYS A 40 -8.890 -0.892 -5.380 1.00 0.00 C ATOM 549 O LYS A 40 -9.157 -0.571 -6.539 1.00 0.00 O ATOM 550 CB LYS A 40 -9.848 -3.191 -5.614 1.00 0.00 C ATOM 551 CG LYS A 40 -10.759 -4.272 -5.059 1.00 0.00 C ATOM 552 CD LYS A 40 -9.979 -5.304 -4.263 1.00 0.00 C ATOM 553 CE LYS A 40 -10.841 -6.508 -3.916 1.00 0.00 C ATOM 554 NZ LYS A 40 -12.239 -6.114 -3.588 1.00 0.00 N ATOM 0 H LYS A 40 -11.770 -2.027 -4.607 1.00 0.00 H new ATOM 0 HA LYS A 40 -9.115 -2.308 -3.795 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -10.250 -2.842 -6.565 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -8.869 -3.624 -5.822 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -11.518 -3.818 -4.422 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -11.283 -4.764 -5.879 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.112 -5.629 -4.838 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.602 -4.849 -3.347 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -10.847 -7.204 -4.755 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -10.404 -7.035 -3.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -12.656 -6.817 -2.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -12.238 -5.182 -3.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -12.801 -6.067 -4.462 1.00 0.00 H new ATOM 568 N CYS A 41 -7.923 -0.318 -4.674 1.00 0.00 N ATOM 569 CA CYS A 41 -7.098 0.748 -5.232 1.00 0.00 C ATOM 570 C CYS A 41 -5.634 0.327 -5.297 1.00 0.00 C ATOM 571 O CYS A 41 -4.869 0.829 -6.121 1.00 0.00 O ATOM 572 CB CYS A 41 -7.239 2.021 -4.396 1.00 0.00 C ATOM 573 SG CYS A 41 -6.851 1.800 -2.644 1.00 0.00 S ATOM 0 H CYS A 41 -7.691 -0.572 -3.714 1.00 0.00 H new ATOM 0 HA CYS A 41 -7.444 0.948 -6.246 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -6.584 2.788 -4.808 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -8.260 2.392 -4.487 1.00 0.00 H new ATOM 0 HG CYS A 41 -7.816 1.150 -2.064 1.00 0.00 H new ATOM 579 N ILE A 42 -5.251 -0.597 -4.421 1.00 0.00 N ATOM 580 CA ILE A 42 -3.878 -1.085 -4.379 1.00 0.00 C ATOM 581 C ILE A 42 -3.670 -2.226 -5.368 1.00 0.00 C ATOM 582 O ILE A 42 -4.175 -3.331 -5.171 1.00 0.00 O ATOM 583 CB ILE A 42 -3.496 -1.568 -2.967 1.00 0.00 C ATOM 584 CG1 ILE A 42 -3.656 -0.432 -1.955 1.00 0.00 C ATOM 585 CG2 ILE A 42 -2.070 -2.098 -2.956 1.00 0.00 C ATOM 586 CD1 ILE A 42 -3.641 -0.898 -0.516 1.00 0.00 C ATOM 0 H ILE A 42 -5.872 -1.022 -3.732 1.00 0.00 H new ATOM 0 HA ILE A 42 -3.236 -0.248 -4.654 1.00 0.00 H new ATOM 0 HB ILE A 42 -4.166 -2.379 -2.683 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -2.854 0.291 -2.103 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -4.594 0.088 -2.150 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.815 -2.435 -1.951 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -1.987 -2.933 -3.651 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -1.385 -1.306 -3.257 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -3.759 -0.040 0.146 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -4.460 -1.598 -0.352 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -2.693 -1.392 -0.303 1.00 0.00 H new ATOM 598 N GLN A 43 -2.921 -1.951 -6.431 1.00 0.00 N ATOM 599 CA GLN A 43 -2.645 -2.956 -7.451 1.00 0.00 C ATOM 600 C GLN A 43 -1.282 -3.601 -7.225 1.00 0.00 C ATOM 601 O GLN A 43 -0.252 -2.928 -7.261 1.00 0.00 O ATOM 602 CB GLN A 43 -2.699 -2.326 -8.845 1.00 0.00 C ATOM 603 CG GLN A 43 -3.016 -3.322 -9.950 1.00 0.00 C ATOM 604 CD GLN A 43 -2.848 -2.729 -11.335 1.00 0.00 C ATOM 605 OE1 GLN A 43 -1.899 -1.988 -11.594 1.00 0.00 O ATOM 606 NE2 GLN A 43 -3.770 -3.053 -12.234 1.00 0.00 N ATOM 0 H GLN A 43 -2.495 -1.041 -6.608 1.00 0.00 H new ATOM 0 HA GLN A 43 -3.409 -3.730 -7.379 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -3.452 -1.538 -8.850 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -1.741 -1.852 -9.058 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -2.365 -4.190 -9.849 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -4.040 -3.676 -9.832 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -4.540 -3.671 -11.975 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -3.709 -2.684 -13.183 1.00 0.00 H new ATOM 615 N ASN A 44 -1.284 -4.909 -6.991 1.00 0.00 N ATOM 616 CA ASN A 44 -0.047 -5.645 -6.757 1.00 0.00 C ATOM 617 C ASN A 44 0.675 -5.927 -8.071 1.00 0.00 C ATOM 618 O ASN A 44 0.185 -5.582 -9.146 1.00 0.00 O ATOM 619 CB ASN A 44 -0.340 -6.960 -6.031 1.00 0.00 C ATOM 620 CG ASN A 44 -0.750 -8.067 -6.984 1.00 0.00 C ATOM 621 OD1 ASN A 44 -0.036 -9.057 -7.146 1.00 0.00 O ATOM 622 ND2 ASN A 44 -1.905 -7.904 -7.618 1.00 0.00 N ATOM 0 H ASN A 44 -2.128 -5.481 -6.958 1.00 0.00 H new ATOM 0 HA ASN A 44 0.600 -5.029 -6.132 1.00 0.00 H new ATOM 0 HB2 ASN A 44 0.545 -7.271 -5.476 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -1.134 -6.800 -5.301 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -2.233 -8.616 -8.271 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -2.464 -7.067 -7.453 1.00 0.00 H new ATOM 629 N GLU A 45 1.842 -6.558 -7.976 1.00 0.00 N ATOM 630 CA GLU A 45 2.631 -6.886 -9.158 1.00 0.00 C ATOM 631 C GLU A 45 1.815 -7.719 -10.142 1.00 0.00 C ATOM 632 O GLU A 45 2.012 -7.636 -11.354 1.00 0.00 O ATOM 633 CB GLU A 45 3.898 -7.645 -8.758 1.00 0.00 C ATOM 634 CG GLU A 45 4.818 -6.854 -7.843 1.00 0.00 C ATOM 635 CD GLU A 45 5.756 -5.940 -8.607 1.00 0.00 C ATOM 636 OE1 GLU A 45 6.487 -6.442 -9.487 1.00 0.00 O ATOM 637 OE2 GLU A 45 5.760 -4.723 -8.326 1.00 0.00 O ATOM 0 H GLU A 45 2.261 -6.852 -7.094 1.00 0.00 H new ATOM 0 HA GLU A 45 2.914 -5.953 -9.645 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.614 -8.572 -8.260 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.446 -7.921 -9.659 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.217 -6.259 -7.156 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.404 -7.545 -7.237 1.00 0.00 H new ATOM 644 N ALA A 46 0.899 -8.523 -9.612 1.00 0.00 N ATOM 645 CA ALA A 46 0.053 -9.370 -10.442 1.00 0.00 C ATOM 646 C ALA A 46 -1.046 -8.556 -11.117 1.00 0.00 C ATOM 647 O ALA A 46 -1.853 -9.092 -11.875 1.00 0.00 O ATOM 648 CB ALA A 46 -0.553 -10.489 -9.609 1.00 0.00 C ATOM 0 H ALA A 46 0.724 -8.605 -8.610 1.00 0.00 H new ATOM 0 HA ALA A 46 0.675 -9.809 -11.222 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.183 -11.114 -10.242 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.244 -11.095 -9.179 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.155 -10.061 -8.808 1.00 0.00 H new ATOM 654 N GLY A 47 -1.071 -7.256 -10.835 1.00 0.00 N ATOM 655 CA GLY A 47 -2.075 -6.389 -11.423 1.00 0.00 C ATOM 656 C GLY A 47 -3.410 -6.483 -10.710 1.00 0.00 C ATOM 657 O GLY A 47 -4.260 -5.603 -10.851 1.00 0.00 O ATOM 0 H GLY A 47 -0.414 -6.789 -10.210 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.723 -5.358 -11.394 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.208 -6.651 -12.473 1.00 0.00 H new ATOM 661 N ASP A 48 -3.597 -7.552 -9.945 1.00 0.00 N ATOM 662 CA ASP A 48 -4.838 -7.758 -9.208 1.00 0.00 C ATOM 663 C ASP A 48 -5.008 -6.700 -8.122 1.00 0.00 C ATOM 664 O ASP A 48 -4.267 -6.682 -7.139 1.00 0.00 O ATOM 665 CB ASP A 48 -4.861 -9.155 -8.585 1.00 0.00 C ATOM 666 CG ASP A 48 -4.799 -10.255 -9.626 1.00 0.00 C ATOM 667 OD1 ASP A 48 -5.868 -10.649 -10.137 1.00 0.00 O ATOM 668 OD2 ASP A 48 -3.681 -10.722 -9.930 1.00 0.00 O ATOM 0 H ASP A 48 -2.904 -8.290 -9.819 1.00 0.00 H new ATOM 0 HA ASP A 48 -5.667 -7.668 -9.910 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -4.019 -9.258 -7.901 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -5.769 -9.270 -7.993 1.00 0.00 H new ATOM 673 N TRP A 49 -5.986 -5.821 -8.308 1.00 0.00 N ATOM 674 CA TRP A 49 -6.251 -4.759 -7.344 1.00 0.00 C ATOM 675 C TRP A 49 -6.649 -5.338 -5.991 1.00 0.00 C ATOM 676 O TRP A 49 -7.203 -6.435 -5.914 1.00 0.00 O ATOM 677 CB TRP A 49 -7.356 -3.836 -7.863 1.00 0.00 C ATOM 678 CG TRP A 49 -7.024 -3.191 -9.174 1.00 0.00 C ATOM 679 CD1 TRP A 49 -7.096 -3.765 -10.411 1.00 0.00 C ATOM 680 CD2 TRP A 49 -6.565 -1.850 -9.378 1.00 0.00 C ATOM 681 NE1 TRP A 49 -6.710 -2.861 -11.372 1.00 0.00 N ATOM 682 CE2 TRP A 49 -6.380 -1.679 -10.764 1.00 0.00 C ATOM 683 CE3 TRP A 49 -6.294 -0.777 -8.525 1.00 0.00 C ATOM 684 CZ2 TRP A 49 -5.936 -0.479 -11.312 1.00 0.00 C ATOM 685 CZ3 TRP A 49 -5.853 0.413 -9.071 1.00 0.00 C ATOM 686 CH2 TRP A 49 -5.678 0.555 -10.454 1.00 0.00 C ATOM 0 H TRP A 49 -6.608 -5.822 -9.116 1.00 0.00 H new ATOM 0 HA TRP A 49 -5.335 -4.182 -7.215 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -8.277 -4.409 -7.971 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -7.548 -3.060 -7.123 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -7.410 -4.780 -10.606 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -6.675 -3.041 -12.375 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -6.427 -0.876 -7.458 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -5.800 -0.368 -12.378 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -5.639 1.248 -8.421 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -5.333 1.499 -10.850 1.00 0.00 H new ATOM 697 N LEU A 50 -6.364 -4.595 -4.927 1.00 0.00 N ATOM 698 CA LEU A 50 -6.694 -5.036 -3.576 1.00 0.00 C ATOM 699 C LEU A 50 -7.153 -3.862 -2.718 1.00 0.00 C ATOM 700 O LEU A 50 -6.639 -2.750 -2.840 1.00 0.00 O ATOM 701 CB LEU A 50 -5.483 -5.714 -2.930 1.00 0.00 C ATOM 702 CG LEU A 50 -4.879 -6.864 -3.736 1.00 0.00 C ATOM 703 CD1 LEU A 50 -3.385 -6.973 -3.475 1.00 0.00 C ATOM 704 CD2 LEU A 50 -5.576 -8.174 -3.400 1.00 0.00 C ATOM 0 H LEU A 50 -5.905 -3.685 -4.974 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.511 -5.754 -3.643 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.711 -4.963 -2.763 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -5.777 -6.092 -1.951 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.028 -6.656 -4.796 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.973 -7.797 -4.057 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.896 -6.043 -3.766 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.213 -7.157 -2.414 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -5.133 -8.982 -3.983 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.458 -8.387 -2.337 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -6.637 -8.094 -3.639 1.00 0.00 H new ATOM 716 N THR A 51 -8.125 -4.118 -1.848 1.00 0.00 N ATOM 717 CA THR A 51 -8.656 -3.083 -0.969 1.00 0.00 C ATOM 718 C THR A 51 -7.652 -2.717 0.118 1.00 0.00 C ATOM 719 O THR A 51 -6.883 -3.562 0.577 1.00 0.00 O ATOM 720 CB THR A 51 -9.972 -3.530 -0.307 1.00 0.00 C ATOM 721 OG1 THR A 51 -9.713 -4.561 0.652 1.00 0.00 O ATOM 722 CG2 THR A 51 -10.958 -4.035 -1.349 1.00 0.00 C ATOM 0 H THR A 51 -8.561 -5.033 -1.733 1.00 0.00 H new ATOM 0 HA THR A 51 -8.849 -2.209 -1.590 1.00 0.00 H new ATOM 0 HB THR A 51 -10.410 -2.668 0.197 1.00 0.00 H new ATOM 0 HG1 THR A 51 -10.555 -4.838 1.070 1.00 0.00 H new ATOM 0 HG21 THR A 51 -11.880 -4.345 -0.857 1.00 0.00 H new ATOM 0 HG22 THR A 51 -11.176 -3.238 -2.060 1.00 0.00 H new ATOM 0 HG23 THR A 51 -10.525 -4.884 -1.878 1.00 0.00 H new ATOM 730 N VAL A 52 -7.663 -1.452 0.526 1.00 0.00 N ATOM 731 CA VAL A 52 -6.755 -0.974 1.561 1.00 0.00 C ATOM 732 C VAL A 52 -6.509 -2.048 2.615 1.00 0.00 C ATOM 733 O VAL A 52 -5.426 -2.129 3.195 1.00 0.00 O ATOM 734 CB VAL A 52 -7.303 0.290 2.250 1.00 0.00 C ATOM 735 CG1 VAL A 52 -6.389 0.717 3.388 1.00 0.00 C ATOM 736 CG2 VAL A 52 -7.473 1.415 1.240 1.00 0.00 C ATOM 0 H VAL A 52 -8.291 -0.739 0.155 1.00 0.00 H new ATOM 0 HA VAL A 52 -5.814 -0.730 1.068 1.00 0.00 H new ATOM 0 HB VAL A 52 -8.282 0.059 2.670 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -6.792 1.611 3.863 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.323 -0.086 4.123 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.395 0.932 2.995 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -7.861 2.300 1.744 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -6.508 1.648 0.789 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -8.172 1.104 0.463 1.00 0.00 H new ATOM 746 N LYS A 53 -7.522 -2.872 2.860 1.00 0.00 N ATOM 747 CA LYS A 53 -7.418 -3.944 3.843 1.00 0.00 C ATOM 748 C LYS A 53 -6.778 -5.185 3.229 1.00 0.00 C ATOM 749 O LYS A 53 -5.814 -5.728 3.768 1.00 0.00 O ATOM 750 CB LYS A 53 -8.801 -4.291 4.398 1.00 0.00 C ATOM 751 CG LYS A 53 -9.330 -3.274 5.394 1.00 0.00 C ATOM 752 CD LYS A 53 -10.709 -3.659 5.904 1.00 0.00 C ATOM 753 CE LYS A 53 -11.808 -3.114 5.005 1.00 0.00 C ATOM 754 NZ LYS A 53 -13.164 -3.429 5.533 1.00 0.00 N ATOM 0 H LYS A 53 -8.426 -2.818 2.390 1.00 0.00 H new ATOM 0 HA LYS A 53 -6.784 -3.596 4.658 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -9.505 -4.376 3.570 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -8.755 -5.268 4.879 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -8.640 -3.193 6.234 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -9.376 -2.292 4.923 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -10.788 -4.745 5.959 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -10.843 -3.278 6.916 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -11.697 -2.034 4.910 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -11.701 -3.534 4.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -13.885 -3.041 4.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -13.280 -4.460 5.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -13.276 -3.006 6.477 1.00 0.00 H new ATOM 768 N GLU A 54 -7.319 -5.627 2.098 1.00 0.00 N ATOM 769 CA GLU A 54 -6.799 -6.803 1.412 1.00 0.00 C ATOM 770 C GLU A 54 -5.278 -6.746 1.310 1.00 0.00 C ATOM 771 O GLU A 54 -4.579 -7.649 1.771 1.00 0.00 O ATOM 772 CB GLU A 54 -7.411 -6.917 0.014 1.00 0.00 C ATOM 773 CG GLU A 54 -8.738 -7.658 -0.012 1.00 0.00 C ATOM 774 CD GLU A 54 -8.568 -9.151 -0.217 1.00 0.00 C ATOM 775 OE1 GLU A 54 -7.977 -9.546 -1.243 1.00 0.00 O ATOM 776 OE2 GLU A 54 -9.028 -9.924 0.650 1.00 0.00 O ATOM 0 H GLU A 54 -8.117 -5.188 1.638 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.074 -7.683 1.994 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.556 -5.916 -0.393 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.706 -7.429 -0.641 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -9.267 -7.481 0.925 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.360 -7.254 -0.811 1.00 0.00 H new ATOM 783 N PHE A 55 -4.771 -5.678 0.703 1.00 0.00 N ATOM 784 CA PHE A 55 -3.333 -5.502 0.539 1.00 0.00 C ATOM 785 C PHE A 55 -2.586 -5.921 1.802 1.00 0.00 C ATOM 786 O PHE A 55 -1.583 -6.630 1.737 1.00 0.00 O ATOM 787 CB PHE A 55 -3.011 -4.045 0.202 1.00 0.00 C ATOM 788 CG PHE A 55 -1.556 -3.803 -0.085 1.00 0.00 C ATOM 789 CD1 PHE A 55 -0.915 -4.488 -1.104 1.00 0.00 C ATOM 790 CD2 PHE A 55 -0.831 -2.892 0.666 1.00 0.00 C ATOM 791 CE1 PHE A 55 0.424 -4.268 -1.371 1.00 0.00 C ATOM 792 CE2 PHE A 55 0.507 -2.667 0.403 1.00 0.00 C ATOM 793 CZ PHE A 55 1.136 -3.357 -0.615 1.00 0.00 C ATOM 0 H PHE A 55 -5.335 -4.921 0.316 1.00 0.00 H new ATOM 0 HA PHE A 55 -3.006 -6.138 -0.283 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -3.599 -3.742 -0.664 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -3.319 -3.411 1.034 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -1.467 -5.202 -1.697 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -1.317 -2.352 1.465 1.00 0.00 H new ATOM 0 HE1 PHE A 55 0.912 -4.807 -2.169 1.00 0.00 H new ATOM 0 HE2 PHE A 55 1.061 -1.952 0.993 1.00 0.00 H new ATOM 0 HZ PHE A 55 2.182 -3.185 -0.819 1.00 0.00 H new ATOM 803 N LEU A 56 -3.083 -5.476 2.951 1.00 0.00 N ATOM 804 CA LEU A 56 -2.464 -5.803 4.230 1.00 0.00 C ATOM 805 C LEU A 56 -2.458 -7.311 4.462 1.00 0.00 C ATOM 806 O LEU A 56 -1.432 -7.891 4.814 1.00 0.00 O ATOM 807 CB LEU A 56 -3.203 -5.103 5.372 1.00 0.00 C ATOM 808 CG LEU A 56 -3.500 -3.621 5.139 1.00 0.00 C ATOM 809 CD1 LEU A 56 -4.333 -3.056 6.278 1.00 0.00 C ATOM 810 CD2 LEU A 56 -2.205 -2.837 4.984 1.00 0.00 C ATOM 0 H LEU A 56 -3.913 -4.888 3.023 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.432 -5.453 4.206 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.145 -5.623 5.548 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -2.610 -5.200 6.282 1.00 0.00 H new ATOM 0 HG LEU A 56 -4.073 -3.526 4.217 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -4.534 -2.001 6.093 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.276 -3.599 6.343 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -3.788 -3.163 7.216 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.435 -1.784 4.819 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.607 -2.940 5.889 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.645 -3.224 4.133 1.00 0.00 H new ATOM 822 N ASN A 57 -3.612 -7.939 4.262 1.00 0.00 N ATOM 823 CA ASN A 57 -3.740 -9.380 4.449 1.00 0.00 C ATOM 824 C ASN A 57 -2.685 -10.130 3.643 1.00 0.00 C ATOM 825 O ASN A 57 -2.138 -11.133 4.100 1.00 0.00 O ATOM 826 CB ASN A 57 -5.139 -9.846 4.038 1.00 0.00 C ATOM 827 CG ASN A 57 -6.147 -9.710 5.163 1.00 0.00 C ATOM 828 OD1 ASN A 57 -6.530 -10.697 5.791 1.00 0.00 O ATOM 829 ND2 ASN A 57 -6.583 -8.483 5.421 1.00 0.00 N ATOM 0 H ASN A 57 -4.471 -7.473 3.971 1.00 0.00 H new ATOM 0 HA ASN A 57 -3.587 -9.599 5.506 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -5.475 -9.264 3.180 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -5.093 -10.887 3.719 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -7.263 -8.329 6.166 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -6.238 -7.694 4.875 1.00 0.00 H new ATOM 836 N GLU A 58 -2.403 -9.635 2.442 1.00 0.00 N ATOM 837 CA GLU A 58 -1.413 -10.259 1.572 1.00 0.00 C ATOM 838 C GLU A 58 -0.060 -10.356 2.271 1.00 0.00 C ATOM 839 O GLU A 58 0.648 -11.354 2.141 1.00 0.00 O ATOM 840 CB GLU A 58 -1.272 -9.466 0.271 1.00 0.00 C ATOM 841 CG GLU A 58 -2.210 -9.930 -0.830 1.00 0.00 C ATOM 842 CD GLU A 58 -1.862 -11.313 -1.347 1.00 0.00 C ATOM 843 OE1 GLU A 58 -0.978 -11.412 -2.224 1.00 0.00 O ATOM 844 OE2 GLU A 58 -2.473 -12.294 -0.877 1.00 0.00 O ATOM 0 H GLU A 58 -2.846 -8.804 2.049 1.00 0.00 H new ATOM 0 HA GLU A 58 -1.756 -11.267 1.338 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -1.459 -8.412 0.476 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -0.244 -9.544 -0.082 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.233 -9.933 -0.454 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -2.176 -9.218 -1.655 1.00 0.00 H new ATOM 851 N GLY A 59 0.294 -9.311 3.013 1.00 0.00 N ATOM 852 CA GLY A 59 1.560 -9.297 3.720 1.00 0.00 C ATOM 853 C GLY A 59 1.502 -10.060 5.029 1.00 0.00 C ATOM 854 O GLY A 59 2.475 -10.697 5.429 1.00 0.00 O ATOM 0 H GLY A 59 -0.275 -8.473 3.137 1.00 0.00 H new ATOM 0 HA2 GLY A 59 2.332 -9.730 3.084 1.00 0.00 H new ATOM 0 HA3 GLY A 59 1.851 -8.265 3.917 1.00 0.00 H new ATOM 858 N GLY A 60 0.355 -9.993 5.700 1.00 0.00 N ATOM 859 CA GLY A 60 0.195 -10.686 6.965 1.00 0.00 C ATOM 860 C GLY A 60 0.033 -9.731 8.132 1.00 0.00 C ATOM 861 O GLY A 60 0.424 -10.044 9.257 1.00 0.00 O ATOM 0 H GLY A 60 -0.465 -9.472 5.390 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -0.676 -11.339 6.910 1.00 0.00 H new ATOM 0 HA3 GLY A 60 1.062 -11.324 7.139 1.00 0.00 H new ATOM 865 N ARG A 61 -0.543 -8.564 7.864 1.00 0.00 N ATOM 866 CA ARG A 61 -0.753 -7.560 8.900 1.00 0.00 C ATOM 867 C ARG A 61 -2.241 -7.286 9.098 1.00 0.00 C ATOM 868 O ARG A 61 -2.623 -6.265 9.668 1.00 0.00 O ATOM 869 CB ARG A 61 -0.028 -6.263 8.537 1.00 0.00 C ATOM 870 CG ARG A 61 0.446 -5.472 9.745 1.00 0.00 C ATOM 871 CD ARG A 61 1.855 -5.872 10.154 1.00 0.00 C ATOM 872 NE ARG A 61 2.090 -5.665 11.581 1.00 0.00 N ATOM 873 CZ ARG A 61 3.292 -5.448 12.104 1.00 0.00 C ATOM 874 NH1 ARG A 61 4.362 -5.411 11.322 1.00 0.00 N ATOM 875 NH2 ARG A 61 3.425 -5.269 13.412 1.00 0.00 N ATOM 0 H ARG A 61 -0.873 -8.290 6.938 1.00 0.00 H new ATOM 0 HA ARG A 61 -0.345 -7.947 9.834 1.00 0.00 H new ATOM 0 HB2 ARG A 61 0.831 -6.500 7.909 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.695 -5.638 7.943 1.00 0.00 H new ATOM 0 HG2 ARG A 61 0.421 -4.407 9.516 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -0.236 -5.635 10.579 1.00 0.00 H new ATOM 0 HD2 ARG A 61 2.020 -6.921 9.908 1.00 0.00 H new ATOM 0 HD3 ARG A 61 2.578 -5.292 9.580 1.00 0.00 H new ATOM 0 HE ARG A 61 1.287 -5.688 12.210 1.00 0.00 H new ATOM 0 HH11 ARG A 61 4.264 -5.549 10.316 1.00 0.00 H new ATOM 0 HH12 ARG A 61 5.284 -5.244 11.726 1.00 0.00 H new ATOM 0 HH21 ARG A 61 2.604 -5.298 14.017 1.00 0.00 H new ATOM 0 HH22 ARG A 61 4.348 -5.102 13.813 1.00 0.00 H new ATOM 889 N ALA A 62 -3.075 -8.205 8.622 1.00 0.00 N ATOM 890 CA ALA A 62 -4.520 -8.063 8.748 1.00 0.00 C ATOM 891 C ALA A 62 -4.907 -7.613 10.153 1.00 0.00 C ATOM 892 O ALA A 62 -5.944 -6.978 10.349 1.00 0.00 O ATOM 893 CB ALA A 62 -5.211 -9.374 8.403 1.00 0.00 C ATOM 0 H ALA A 62 -2.775 -9.055 8.146 1.00 0.00 H new ATOM 0 HA ALA A 62 -4.848 -7.296 8.046 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.290 -9.254 8.501 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -4.969 -9.654 7.378 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -4.870 -10.155 9.082 1.00 0.00 H new ATOM 899 N THR A 63 -4.068 -7.946 11.128 1.00 0.00 N ATOM 900 CA THR A 63 -4.324 -7.577 12.515 1.00 0.00 C ATOM 901 C THR A 63 -3.892 -6.142 12.791 1.00 0.00 C ATOM 902 O THR A 63 -3.715 -5.747 13.944 1.00 0.00 O ATOM 903 CB THR A 63 -3.591 -8.518 13.490 1.00 0.00 C ATOM 904 OG1 THR A 63 -2.178 -8.448 13.271 1.00 0.00 O ATOM 905 CG2 THR A 63 -4.066 -9.953 13.317 1.00 0.00 C ATOM 0 H THR A 63 -3.205 -8.471 10.983 1.00 0.00 H new ATOM 0 HA THR A 63 -5.399 -7.666 12.673 1.00 0.00 H new ATOM 0 HB THR A 63 -3.816 -8.197 14.507 1.00 0.00 H new ATOM 0 HG1 THR A 63 -1.720 -9.048 13.896 1.00 0.00 H new ATOM 0 HG21 THR A 63 -3.534 -10.599 14.016 1.00 0.00 H new ATOM 0 HG22 THR A 63 -5.137 -10.008 13.514 1.00 0.00 H new ATOM 0 HG23 THR A 63 -3.868 -10.281 12.297 1.00 0.00 H new ATOM 913 N SER A 64 -3.724 -5.364 11.726 1.00 0.00 N ATOM 914 CA SER A 64 -3.310 -3.972 11.854 1.00 0.00 C ATOM 915 C SER A 64 -4.515 -3.065 12.085 1.00 0.00 C ATOM 916 O SER A 64 -5.637 -3.394 11.699 1.00 0.00 O ATOM 917 CB SER A 64 -2.554 -3.525 10.601 1.00 0.00 C ATOM 918 OG SER A 64 -2.475 -2.112 10.530 1.00 0.00 O ATOM 0 H SER A 64 -3.868 -5.674 10.765 1.00 0.00 H new ATOM 0 HA SER A 64 -2.648 -3.894 12.716 1.00 0.00 H new ATOM 0 HB2 SER A 64 -1.550 -3.949 10.608 1.00 0.00 H new ATOM 0 HB3 SER A 64 -3.056 -3.909 9.713 1.00 0.00 H new ATOM 0 HG SER A 64 -2.606 -1.823 9.603 1.00 0.00 H new ATOM 924 N LYS A 65 -4.275 -1.922 12.718 1.00 0.00 N ATOM 925 CA LYS A 65 -5.338 -0.965 13.000 1.00 0.00 C ATOM 926 C LYS A 65 -5.364 0.144 11.954 1.00 0.00 C ATOM 927 O LYS A 65 -6.431 0.558 11.500 1.00 0.00 O ATOM 928 CB LYS A 65 -5.152 -0.362 14.395 1.00 0.00 C ATOM 929 CG LYS A 65 -5.679 -1.243 15.514 1.00 0.00 C ATOM 930 CD LYS A 65 -4.701 -2.354 15.857 1.00 0.00 C ATOM 931 CE LYS A 65 -4.943 -2.898 17.256 1.00 0.00 C ATOM 932 NZ LYS A 65 -4.655 -1.881 18.305 1.00 0.00 N ATOM 0 H LYS A 65 -3.353 -1.636 13.046 1.00 0.00 H new ATOM 0 HA LYS A 65 -6.290 -1.496 12.964 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -4.091 -0.173 14.561 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -5.658 0.603 14.435 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -5.866 -0.635 16.399 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -6.634 -1.677 15.218 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -4.796 -3.161 15.130 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -3.681 -1.977 15.783 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -5.979 -3.227 17.344 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -4.316 -3.775 17.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -4.449 -2.359 19.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -3.833 -1.311 18.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -5.481 -1.261 18.424 1.00 0.00 H new ATOM 946 N ASP A 66 -4.184 0.621 11.575 1.00 0.00 N ATOM 947 CA ASP A 66 -4.071 1.682 10.580 1.00 0.00 C ATOM 948 C ASP A 66 -3.286 1.203 9.363 1.00 0.00 C ATOM 949 O ASP A 66 -2.110 0.853 9.469 1.00 0.00 O ATOM 950 CB ASP A 66 -3.395 2.911 11.188 1.00 0.00 C ATOM 951 CG ASP A 66 -2.918 3.891 10.134 1.00 0.00 C ATOM 952 OD1 ASP A 66 -3.717 4.231 9.237 1.00 0.00 O ATOM 953 OD2 ASP A 66 -1.746 4.315 10.205 1.00 0.00 O ATOM 0 H ASP A 66 -3.291 0.290 11.941 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.076 1.953 10.258 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -4.094 3.413 11.857 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -2.547 2.593 11.794 1.00 0.00 H new ATOM 958 N TRP A 67 -3.943 1.190 8.209 1.00 0.00 N ATOM 959 CA TRP A 67 -3.305 0.754 6.972 1.00 0.00 C ATOM 960 C TRP A 67 -2.221 1.736 6.542 1.00 0.00 C ATOM 961 O TRP A 67 -1.228 1.349 5.925 1.00 0.00 O ATOM 962 CB TRP A 67 -4.347 0.607 5.862 1.00 0.00 C ATOM 963 CG TRP A 67 -5.125 1.863 5.608 1.00 0.00 C ATOM 964 CD1 TRP A 67 -6.218 2.304 6.299 1.00 0.00 C ATOM 965 CD2 TRP A 67 -4.872 2.838 4.590 1.00 0.00 C ATOM 966 NE1 TRP A 67 -6.658 3.494 5.773 1.00 0.00 N ATOM 967 CE2 TRP A 67 -5.849 3.843 4.724 1.00 0.00 C ATOM 968 CE3 TRP A 67 -3.913 2.960 3.581 1.00 0.00 C ATOM 969 CZ2 TRP A 67 -5.894 4.954 3.885 1.00 0.00 C ATOM 970 CZ3 TRP A 67 -3.959 4.062 2.749 1.00 0.00 C ATOM 971 CH2 TRP A 67 -4.943 5.047 2.905 1.00 0.00 C ATOM 0 H TRP A 67 -4.916 1.476 8.104 1.00 0.00 H new ATOM 0 HA TRP A 67 -2.839 -0.214 7.155 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -3.847 0.305 4.942 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -5.038 -0.193 6.126 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -6.670 1.792 7.136 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -7.458 4.031 6.109 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -3.150 2.207 3.454 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -6.652 5.714 4.003 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -3.224 4.166 1.965 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -4.951 5.897 2.239 1.00 0.00 H new ATOM 982 N LYS A 68 -2.417 3.008 6.871 1.00 0.00 N ATOM 983 CA LYS A 68 -1.454 4.046 6.521 1.00 0.00 C ATOM 984 C LYS A 68 -0.130 3.827 7.245 1.00 0.00 C ATOM 985 O LYS A 68 0.927 4.230 6.761 1.00 0.00 O ATOM 986 CB LYS A 68 -2.015 5.427 6.867 1.00 0.00 C ATOM 987 CG LYS A 68 -3.249 5.801 6.065 1.00 0.00 C ATOM 988 CD LYS A 68 -3.938 7.027 6.640 1.00 0.00 C ATOM 989 CE LYS A 68 -5.434 7.005 6.367 1.00 0.00 C ATOM 990 NZ LYS A 68 -6.079 8.304 6.707 1.00 0.00 N ATOM 0 H LYS A 68 -3.234 3.345 7.380 1.00 0.00 H new ATOM 0 HA LYS A 68 -1.273 3.992 5.447 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -2.260 5.455 7.929 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -1.242 6.177 6.699 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -2.967 5.993 5.030 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -3.945 4.962 6.055 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -3.764 7.073 7.715 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -3.501 7.927 6.208 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -5.608 6.777 5.315 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -5.897 6.207 6.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -7.098 8.248 6.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -5.935 8.509 7.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -5.655 9.062 6.136 1.00 0.00 H new ATOM 1004 N GLY A 69 -0.195 3.185 8.408 1.00 0.00 N ATOM 1005 CA GLY A 69 1.006 2.923 9.179 1.00 0.00 C ATOM 1006 C GLY A 69 1.767 1.713 8.674 1.00 0.00 C ATOM 1007 O GLY A 69 2.988 1.754 8.528 1.00 0.00 O ATOM 0 H GLY A 69 -1.058 2.842 8.830 1.00 0.00 H new ATOM 0 HA2 GLY A 69 1.655 3.798 9.143 1.00 0.00 H new ATOM 0 HA3 GLY A 69 0.737 2.769 10.224 1.00 0.00 H new ATOM 1011 N VAL A 70 1.043 0.630 8.406 1.00 0.00 N ATOM 1012 CA VAL A 70 1.657 -0.598 7.915 1.00 0.00 C ATOM 1013 C VAL A 70 2.193 -0.416 6.500 1.00 0.00 C ATOM 1014 O VAL A 70 3.293 -0.867 6.179 1.00 0.00 O ATOM 1015 CB VAL A 70 0.657 -1.769 7.927 1.00 0.00 C ATOM 1016 CG1 VAL A 70 0.171 -2.042 9.342 1.00 0.00 C ATOM 1017 CG2 VAL A 70 -0.513 -1.479 6.999 1.00 0.00 C ATOM 0 H VAL A 70 0.031 0.579 8.521 1.00 0.00 H new ATOM 0 HA VAL A 70 2.484 -0.829 8.587 1.00 0.00 H new ATOM 0 HB VAL A 70 1.166 -2.662 7.565 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.535 -2.873 9.330 1.00 0.00 H new ATOM 0 HG12 VAL A 70 1.021 -2.296 9.976 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.322 -1.153 9.735 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.210 -2.317 7.020 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.023 -0.574 7.329 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.145 -1.338 5.983 1.00 0.00 H new ATOM 1027 N ILE A 71 1.409 0.248 5.657 1.00 0.00 N ATOM 1028 CA ILE A 71 1.806 0.490 4.276 1.00 0.00 C ATOM 1029 C ILE A 71 2.878 1.573 4.194 1.00 0.00 C ATOM 1030 O ILE A 71 2.699 2.677 4.708 1.00 0.00 O ATOM 1031 CB ILE A 71 0.604 0.908 3.409 1.00 0.00 C ATOM 1032 CG1 ILE A 71 -0.451 -0.201 3.394 1.00 0.00 C ATOM 1033 CG2 ILE A 71 1.058 1.234 1.994 1.00 0.00 C ATOM 1034 CD1 ILE A 71 -1.741 0.202 2.714 1.00 0.00 C ATOM 0 H ILE A 71 0.496 0.628 5.906 1.00 0.00 H new ATOM 0 HA ILE A 71 2.210 -0.448 3.895 1.00 0.00 H new ATOM 0 HB ILE A 71 0.157 1.804 3.841 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.041 -1.075 2.888 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.668 -0.499 4.420 1.00 0.00 H new ATOM 0 HG21 ILE A 71 0.197 1.528 1.394 1.00 0.00 H new ATOM 0 HG22 ILE A 71 1.777 2.053 2.022 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.526 0.355 1.551 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -2.442 -0.632 2.740 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.174 1.057 3.233 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.537 0.472 1.678 1.00 0.00 H new ATOM 1046 N ARG A 72 3.990 1.249 3.542 1.00 0.00 N ATOM 1047 CA ARG A 72 5.090 2.193 3.392 1.00 0.00 C ATOM 1048 C ARG A 72 5.288 2.569 1.927 1.00 0.00 C ATOM 1049 O ARG A 72 5.254 1.709 1.045 1.00 0.00 O ATOM 1050 CB ARG A 72 6.382 1.599 3.957 1.00 0.00 C ATOM 1051 CG ARG A 72 6.242 1.075 5.377 1.00 0.00 C ATOM 1052 CD ARG A 72 7.569 1.111 6.117 1.00 0.00 C ATOM 1053 NE ARG A 72 7.476 0.498 7.439 1.00 0.00 N ATOM 1054 CZ ARG A 72 7.368 -0.811 7.636 1.00 0.00 C ATOM 1055 NH1 ARG A 72 7.340 -1.640 6.602 1.00 0.00 N ATOM 1056 NH2 ARG A 72 7.287 -1.294 8.869 1.00 0.00 N ATOM 0 H ARG A 72 4.153 0.340 3.109 1.00 0.00 H new ATOM 0 HA ARG A 72 4.839 3.095 3.950 1.00 0.00 H new ATOM 0 HB2 ARG A 72 6.712 0.786 3.310 1.00 0.00 H new ATOM 0 HB3 ARG A 72 7.162 2.360 3.935 1.00 0.00 H new ATOM 0 HG2 ARG A 72 5.507 1.673 5.916 1.00 0.00 H new ATOM 0 HG3 ARG A 72 5.865 0.053 5.353 1.00 0.00 H new ATOM 0 HD2 ARG A 72 8.326 0.592 5.529 1.00 0.00 H new ATOM 0 HD3 ARG A 72 7.899 2.145 6.219 1.00 0.00 H new ATOM 0 HE ARG A 72 7.495 1.109 8.256 1.00 0.00 H new ATOM 0 HH11 ARG A 72 7.401 -1.273 5.652 1.00 0.00 H new ATOM 0 HH12 ARG A 72 7.257 -2.645 6.756 1.00 0.00 H new ATOM 0 HH21 ARG A 72 7.308 -0.660 9.668 1.00 0.00 H new ATOM 0 HH22 ARG A 72 7.204 -2.300 9.018 1.00 0.00 H new ATOM 1070 N CYS A 73 5.494 3.856 1.674 1.00 0.00 N ATOM 1071 CA CYS A 73 5.696 4.346 0.315 1.00 0.00 C ATOM 1072 C CYS A 73 7.080 4.969 0.161 1.00 0.00 C ATOM 1073 O CYS A 73 7.351 6.043 0.697 1.00 0.00 O ATOM 1074 CB CYS A 73 4.620 5.371 -0.046 1.00 0.00 C ATOM 1075 SG CYS A 73 4.910 6.226 -1.612 1.00 0.00 S ATOM 0 H CYS A 73 5.526 4.580 2.392 1.00 0.00 H new ATOM 0 HA CYS A 73 5.622 3.497 -0.365 1.00 0.00 H new ATOM 0 HB2 CYS A 73 3.655 4.867 -0.093 1.00 0.00 H new ATOM 0 HB3 CYS A 73 4.555 6.110 0.752 1.00 0.00 H new ATOM 0 HG CYS A 73 4.681 5.412 -2.600 1.00 0.00 H new ATOM 1081 N ASN A 74 7.953 4.285 -0.572 1.00 0.00 N ATOM 1082 CA ASN A 74 9.310 4.770 -0.794 1.00 0.00 C ATOM 1083 C ASN A 74 10.078 4.860 0.522 1.00 0.00 C ATOM 1084 O ASN A 74 10.939 5.722 0.693 1.00 0.00 O ATOM 1085 CB ASN A 74 9.280 6.140 -1.474 1.00 0.00 C ATOM 1086 CG ASN A 74 8.733 6.072 -2.887 1.00 0.00 C ATOM 1087 OD1 ASN A 74 8.462 4.991 -3.408 1.00 0.00 O ATOM 1088 ND2 ASN A 74 8.568 7.232 -3.513 1.00 0.00 N ATOM 0 H ASN A 74 7.745 3.394 -1.022 1.00 0.00 H new ATOM 0 HA ASN A 74 9.820 4.060 -1.445 1.00 0.00 H new ATOM 0 HB2 ASN A 74 8.669 6.823 -0.883 1.00 0.00 H new ATOM 0 HB3 ASN A 74 10.288 6.553 -1.497 1.00 0.00 H new ATOM 0 HD21 ASN A 74 8.203 7.250 -4.465 1.00 0.00 H new ATOM 0 HD22 ASN A 74 8.806 8.104 -3.041 1.00 0.00 H new ATOM 1095 N GLY A 75 9.759 3.962 1.449 1.00 0.00 N ATOM 1096 CA GLY A 75 10.428 3.956 2.737 1.00 0.00 C ATOM 1097 C GLY A 75 9.745 4.855 3.749 1.00 0.00 C ATOM 1098 O GLY A 75 10.087 4.841 4.931 1.00 0.00 O ATOM 0 H GLY A 75 9.049 3.239 1.331 1.00 0.00 H new ATOM 0 HA2 GLY A 75 10.458 2.937 3.123 1.00 0.00 H new ATOM 0 HA3 GLY A 75 11.461 4.279 2.608 1.00 0.00 H new ATOM 1102 N GLU A 76 8.777 5.639 3.284 1.00 0.00 N ATOM 1103 CA GLU A 76 8.046 6.550 4.157 1.00 0.00 C ATOM 1104 C GLU A 76 6.572 6.165 4.233 1.00 0.00 C ATOM 1105 O GLU A 76 5.892 6.059 3.212 1.00 0.00 O ATOM 1106 CB GLU A 76 8.184 7.990 3.659 1.00 0.00 C ATOM 1107 CG GLU A 76 9.551 8.598 3.926 1.00 0.00 C ATOM 1108 CD GLU A 76 10.531 8.349 2.795 1.00 0.00 C ATOM 1109 OE1 GLU A 76 10.075 8.111 1.657 1.00 0.00 O ATOM 1110 OE2 GLU A 76 11.753 8.392 3.048 1.00 0.00 O ATOM 0 H GLU A 76 8.481 5.661 2.308 1.00 0.00 H new ATOM 0 HA GLU A 76 8.475 6.477 5.157 1.00 0.00 H new ATOM 0 HB2 GLU A 76 7.988 8.015 2.587 1.00 0.00 H new ATOM 0 HB3 GLU A 76 7.422 8.606 4.137 1.00 0.00 H new ATOM 0 HG2 GLU A 76 9.443 9.672 4.079 1.00 0.00 H new ATOM 0 HG3 GLU A 76 9.955 8.183 4.850 1.00 0.00 H new ATOM 1117 N THR A 77 6.082 5.956 5.451 1.00 0.00 N ATOM 1118 CA THR A 77 4.690 5.582 5.662 1.00 0.00 C ATOM 1119 C THR A 77 3.745 6.631 5.086 1.00 0.00 C ATOM 1120 O THR A 77 4.036 7.826 5.118 1.00 0.00 O ATOM 1121 CB THR A 77 4.378 5.394 7.159 1.00 0.00 C ATOM 1122 OG1 THR A 77 4.702 6.588 7.880 1.00 0.00 O ATOM 1123 CG2 THR A 77 5.161 4.222 7.731 1.00 0.00 C ATOM 0 H THR A 77 6.630 6.040 6.307 1.00 0.00 H new ATOM 0 HA THR A 77 4.536 4.635 5.145 1.00 0.00 H new ATOM 0 HB THR A 77 3.313 5.185 7.263 1.00 0.00 H new ATOM 0 HG1 THR A 77 4.499 6.461 8.830 1.00 0.00 H new ATOM 0 HG21 THR A 77 4.925 4.108 8.789 1.00 0.00 H new ATOM 0 HG22 THR A 77 4.891 3.310 7.199 1.00 0.00 H new ATOM 0 HG23 THR A 77 6.229 4.407 7.616 1.00 0.00 H new ATOM 1131 N LEU A 78 2.613 6.176 4.560 1.00 0.00 N ATOM 1132 CA LEU A 78 1.624 7.076 3.977 1.00 0.00 C ATOM 1133 C LEU A 78 1.363 8.265 4.895 1.00 0.00 C ATOM 1134 O LEU A 78 1.372 9.415 4.456 1.00 0.00 O ATOM 1135 CB LEU A 78 0.317 6.326 3.709 1.00 0.00 C ATOM 1136 CG LEU A 78 0.449 5.098 2.809 1.00 0.00 C ATOM 1137 CD1 LEU A 78 -0.846 4.301 2.799 1.00 0.00 C ATOM 1138 CD2 LEU A 78 0.833 5.512 1.396 1.00 0.00 C ATOM 0 H LEU A 78 2.357 5.189 4.525 1.00 0.00 H new ATOM 0 HA LEU A 78 2.020 7.450 3.033 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.108 6.014 4.663 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.394 7.016 3.254 1.00 0.00 H new ATOM 0 HG LEU A 78 1.239 4.462 3.208 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.733 3.431 2.153 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.079 3.973 3.812 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -1.656 4.927 2.425 1.00 0.00 H new ATOM 0 HD21 LEU A 78 0.923 4.625 0.769 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.065 6.169 0.988 1.00 0.00 H new ATOM 0 HD23 LEU A 78 1.787 6.039 1.418 1.00 0.00 H new ATOM 1150 N ARG A 79 1.130 7.980 6.172 1.00 0.00 N ATOM 1151 CA ARG A 79 0.864 9.025 7.153 1.00 0.00 C ATOM 1152 C ARG A 79 1.968 10.079 7.136 1.00 0.00 C ATOM 1153 O ARG A 79 1.697 11.278 7.212 1.00 0.00 O ATOM 1154 CB ARG A 79 0.742 8.421 8.553 1.00 0.00 C ATOM 1155 CG ARG A 79 0.286 9.417 9.608 1.00 0.00 C ATOM 1156 CD ARG A 79 0.756 9.011 10.996 1.00 0.00 C ATOM 1157 NE ARG A 79 -0.127 8.019 11.604 1.00 0.00 N ATOM 1158 CZ ARG A 79 -1.299 8.316 12.153 1.00 0.00 C ATOM 1159 NH1 ARG A 79 -1.728 9.570 12.170 1.00 0.00 N ATOM 1160 NH2 ARG A 79 -2.046 7.357 12.686 1.00 0.00 N ATOM 0 H ARG A 79 1.120 7.033 6.552 1.00 0.00 H new ATOM 0 HA ARG A 79 -0.078 9.505 6.889 1.00 0.00 H new ATOM 0 HB2 ARG A 79 0.037 7.590 8.521 1.00 0.00 H new ATOM 0 HB3 ARG A 79 1.707 8.009 8.847 1.00 0.00 H new ATOM 0 HG2 ARG A 79 0.673 10.407 9.367 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -0.802 9.488 9.597 1.00 0.00 H new ATOM 0 HD2 ARG A 79 1.766 8.607 10.933 1.00 0.00 H new ATOM 0 HD3 ARG A 79 0.805 9.893 11.635 1.00 0.00 H new ATOM 0 HE ARG A 79 0.173 7.044 11.607 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -1.157 10.310 11.761 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -2.629 9.795 12.592 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -1.720 6.391 12.674 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -2.946 7.586 13.107 1.00 0.00 H new ATOM 1174 N HIS A 80 3.213 9.624 7.037 1.00 0.00 N ATOM 1175 CA HIS A 80 4.357 10.527 7.010 1.00 0.00 C ATOM 1176 C HIS A 80 4.295 11.448 5.795 1.00 0.00 C ATOM 1177 O HIS A 80 4.426 12.665 5.919 1.00 0.00 O ATOM 1178 CB HIS A 80 5.662 9.730 6.994 1.00 0.00 C ATOM 1179 CG HIS A 80 6.863 10.540 7.377 1.00 0.00 C ATOM 1180 ND1 HIS A 80 7.393 10.544 8.650 1.00 0.00 N ATOM 1181 CD2 HIS A 80 7.639 11.374 6.646 1.00 0.00 C ATOM 1182 CE1 HIS A 80 8.442 11.346 8.685 1.00 0.00 C ATOM 1183 NE2 HIS A 80 8.612 11.862 7.481 1.00 0.00 N ATOM 0 H HIS A 80 3.455 8.635 6.974 1.00 0.00 H new ATOM 0 HA HIS A 80 4.325 11.141 7.910 1.00 0.00 H new ATOM 0 HB2 HIS A 80 5.571 8.885 7.677 1.00 0.00 H new ATOM 0 HB3 HIS A 80 5.815 9.318 5.996 1.00 0.00 H new ATOM 0 HD2 HIS A 80 7.515 11.611 5.600 1.00 0.00 H new ATOM 0 HE1 HIS A 80 9.056 11.546 9.551 1.00 0.00 H new ATOM 0 HE2 HIS A 80 9.347 12.517 7.215 1.00 0.00 H new ATOM 1192 N LEU A 81 4.094 10.858 4.622 1.00 0.00 N ATOM 1193 CA LEU A 81 4.014 11.625 3.384 1.00 0.00 C ATOM 1194 C LEU A 81 2.835 12.591 3.417 1.00 0.00 C ATOM 1195 O LEU A 81 2.941 13.732 2.968 1.00 0.00 O ATOM 1196 CB LEU A 81 3.886 10.684 2.184 1.00 0.00 C ATOM 1197 CG LEU A 81 5.069 9.740 1.972 1.00 0.00 C ATOM 1198 CD1 LEU A 81 4.769 8.748 0.859 1.00 0.00 C ATOM 1199 CD2 LEU A 81 6.331 10.530 1.658 1.00 0.00 C ATOM 0 H LEU A 81 3.983 9.851 4.502 1.00 0.00 H new ATOM 0 HA LEU A 81 4.932 12.205 3.285 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.982 10.087 2.305 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.754 11.284 1.284 1.00 0.00 H new ATOM 0 HG LEU A 81 5.233 9.181 2.894 1.00 0.00 H new ATOM 0 HD11 LEU A 81 5.623 8.085 0.723 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.891 8.159 1.123 1.00 0.00 H new ATOM 0 HD13 LEU A 81 4.578 9.288 -0.068 1.00 0.00 H new ATOM 0 HD21 LEU A 81 7.163 9.842 1.510 1.00 0.00 H new ATOM 0 HD22 LEU A 81 6.178 11.115 0.751 1.00 0.00 H new ATOM 0 HD23 LEU A 81 6.557 11.200 2.488 1.00 0.00 H new ATOM 1211 N GLU A 82 1.710 12.124 3.951 1.00 0.00 N ATOM 1212 CA GLU A 82 0.510 12.947 4.042 1.00 0.00 C ATOM 1213 C GLU A 82 0.774 14.207 4.860 1.00 0.00 C ATOM 1214 O GLU A 82 0.382 15.306 4.470 1.00 0.00 O ATOM 1215 CB GLU A 82 -0.636 12.149 4.668 1.00 0.00 C ATOM 1216 CG GLU A 82 -1.912 12.954 4.847 1.00 0.00 C ATOM 1217 CD GLU A 82 -2.866 12.323 5.842 1.00 0.00 C ATOM 1218 OE1 GLU A 82 -2.989 11.080 5.839 1.00 0.00 O ATOM 1219 OE2 GLU A 82 -3.488 13.071 6.625 1.00 0.00 O ATOM 0 H GLU A 82 1.605 11.181 4.326 1.00 0.00 H new ATOM 0 HA GLU A 82 0.227 13.244 3.032 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -0.848 11.282 4.042 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -0.316 11.771 5.639 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -1.658 13.960 5.181 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -2.412 13.054 3.884 1.00 0.00 H new ATOM 1226 N GLN A 83 1.441 14.038 5.997 1.00 0.00 N ATOM 1227 CA GLN A 83 1.756 15.161 6.872 1.00 0.00 C ATOM 1228 C GLN A 83 2.568 16.218 6.130 1.00 0.00 C ATOM 1229 O GLN A 83 2.391 17.417 6.345 1.00 0.00 O ATOM 1230 CB GLN A 83 2.528 14.677 8.101 1.00 0.00 C ATOM 1231 CG GLN A 83 1.648 14.027 9.155 1.00 0.00 C ATOM 1232 CD GLN A 83 2.312 13.971 10.517 1.00 0.00 C ATOM 1233 OE1 GLN A 83 2.886 14.957 10.981 1.00 0.00 O ATOM 1234 NE2 GLN A 83 2.238 12.815 11.165 1.00 0.00 N ATOM 0 H GLN A 83 1.774 13.134 6.334 1.00 0.00 H new ATOM 0 HA GLN A 83 0.818 15.611 7.196 1.00 0.00 H new ATOM 0 HB2 GLN A 83 3.288 13.963 7.784 1.00 0.00 H new ATOM 0 HB3 GLN A 83 3.051 15.523 8.548 1.00 0.00 H new ATOM 0 HG2 GLN A 83 0.713 14.581 9.234 1.00 0.00 H new ATOM 0 HG3 GLN A 83 1.394 13.016 8.837 1.00 0.00 H new ATOM 0 HE21 GLN A 83 1.752 12.024 10.743 1.00 0.00 H new ATOM 0 HE22 GLN A 83 2.667 12.718 12.085 1.00 0.00 H new ATOM 1243 N LYS A 84 3.460 15.764 5.255 1.00 0.00 N ATOM 1244 CA LYS A 84 4.300 16.669 4.479 1.00 0.00 C ATOM 1245 C LYS A 84 3.550 17.198 3.261 1.00 0.00 C ATOM 1246 O LYS A 84 4.147 17.780 2.357 1.00 0.00 O ATOM 1247 CB LYS A 84 5.579 15.956 4.035 1.00 0.00 C ATOM 1248 CG LYS A 84 6.504 15.593 5.183 1.00 0.00 C ATOM 1249 CD LYS A 84 7.333 14.361 4.864 1.00 0.00 C ATOM 1250 CE LYS A 84 8.461 14.683 3.896 1.00 0.00 C ATOM 1251 NZ LYS A 84 9.534 15.487 4.543 1.00 0.00 N ATOM 0 H LYS A 84 3.620 14.774 5.066 1.00 0.00 H new ATOM 0 HA LYS A 84 4.565 17.514 5.115 1.00 0.00 H new ATOM 0 HB2 LYS A 84 5.310 15.048 3.496 1.00 0.00 H new ATOM 0 HB3 LYS A 84 6.117 16.595 3.335 1.00 0.00 H new ATOM 0 HG2 LYS A 84 7.166 16.432 5.397 1.00 0.00 H new ATOM 0 HG3 LYS A 84 5.915 15.413 6.083 1.00 0.00 H new ATOM 0 HD2 LYS A 84 7.748 13.952 5.785 1.00 0.00 H new ATOM 0 HD3 LYS A 84 6.692 13.591 4.434 1.00 0.00 H new ATOM 0 HE2 LYS A 84 8.884 13.756 3.510 1.00 0.00 H new ATOM 0 HE3 LYS A 84 8.062 15.230 3.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 10.386 15.472 3.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 9.210 16.468 4.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 9.756 15.083 5.475 1.00 0.00 H new ATOM 1265 N GLY A 85 2.236 16.991 3.244 1.00 0.00 N ATOM 1266 CA GLY A 85 1.426 17.454 2.133 1.00 0.00 C ATOM 1267 C GLY A 85 1.807 16.793 0.823 1.00 0.00 C ATOM 1268 O GLY A 85 1.735 17.413 -0.238 1.00 0.00 O ATOM 0 H GLY A 85 1.719 16.511 3.980 1.00 0.00 H new ATOM 0 HA2 GLY A 85 0.376 17.254 2.345 1.00 0.00 H new ATOM 0 HA3 GLY A 85 1.532 18.534 2.036 1.00 0.00 H new ATOM 1272 N LEU A 86 2.216 15.531 0.896 1.00 0.00 N ATOM 1273 CA LEU A 86 2.612 14.785 -0.293 1.00 0.00 C ATOM 1274 C LEU A 86 1.496 13.849 -0.745 1.00 0.00 C ATOM 1275 O LEU A 86 1.289 13.645 -1.941 1.00 0.00 O ATOM 1276 CB LEU A 86 3.886 13.983 -0.017 1.00 0.00 C ATOM 1277 CG LEU A 86 5.032 14.783 0.603 1.00 0.00 C ATOM 1278 CD1 LEU A 86 6.129 13.851 1.094 1.00 0.00 C ATOM 1279 CD2 LEU A 86 5.589 15.781 -0.401 1.00 0.00 C ATOM 0 H LEU A 86 2.282 15.003 1.766 1.00 0.00 H new ATOM 0 HA LEU A 86 2.807 15.500 -1.092 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.639 13.155 0.648 1.00 0.00 H new ATOM 0 HB3 LEU A 86 4.233 13.547 -0.954 1.00 0.00 H new ATOM 0 HG LEU A 86 4.643 15.336 1.458 1.00 0.00 H new ATOM 0 HD11 LEU A 86 6.936 14.438 1.532 1.00 0.00 H new ATOM 0 HD12 LEU A 86 5.722 13.175 1.846 1.00 0.00 H new ATOM 0 HD13 LEU A 86 6.516 13.271 0.256 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.404 16.342 0.057 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.962 15.248 -1.275 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.801 16.470 -0.705 1.00 0.00 H new ATOM 1291 N LEU A 87 0.780 13.282 0.220 1.00 0.00 N ATOM 1292 CA LEU A 87 -0.316 12.367 -0.078 1.00 0.00 C ATOM 1293 C LEU A 87 -1.660 12.997 0.271 1.00 0.00 C ATOM 1294 O LEU A 87 -1.810 13.629 1.316 1.00 0.00 O ATOM 1295 CB LEU A 87 -0.137 11.057 0.693 1.00 0.00 C ATOM 1296 CG LEU A 87 -1.181 9.982 0.393 1.00 0.00 C ATOM 1297 CD1 LEU A 87 -0.807 9.210 -0.863 1.00 0.00 C ATOM 1298 CD2 LEU A 87 -1.328 9.037 1.576 1.00 0.00 C ATOM 0 H LEU A 87 0.939 13.440 1.215 1.00 0.00 H new ATOM 0 HA LEU A 87 -0.301 12.156 -1.147 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.851 10.654 0.471 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -0.159 11.276 1.761 1.00 0.00 H new ATOM 0 HG LEU A 87 -2.140 10.472 0.222 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -1.562 8.449 -1.061 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -0.753 9.895 -1.709 1.00 0.00 H new ATOM 0 HD13 LEU A 87 0.162 8.731 -0.721 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -2.075 8.278 1.345 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -0.371 8.555 1.777 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -1.643 9.600 2.455 1.00 0.00 H new ATOM 1310 N PHE A 88 -2.637 12.819 -0.613 1.00 0.00 N ATOM 1311 CA PHE A 88 -3.970 13.370 -0.401 1.00 0.00 C ATOM 1312 C PHE A 88 -4.796 12.462 0.506 1.00 0.00 C ATOM 1313 O PHE A 88 -5.602 12.935 1.307 1.00 0.00 O ATOM 1314 CB PHE A 88 -4.686 13.561 -1.740 1.00 0.00 C ATOM 1315 CG PHE A 88 -5.416 12.335 -2.209 1.00 0.00 C ATOM 1316 CD1 PHE A 88 -4.747 11.132 -2.366 1.00 0.00 C ATOM 1317 CD2 PHE A 88 -6.771 12.387 -2.494 1.00 0.00 C ATOM 1318 CE1 PHE A 88 -5.416 10.002 -2.797 1.00 0.00 C ATOM 1319 CE2 PHE A 88 -7.445 11.260 -2.925 1.00 0.00 C ATOM 1320 CZ PHE A 88 -6.767 10.066 -3.078 1.00 0.00 C ATOM 0 H PHE A 88 -2.530 12.297 -1.483 1.00 0.00 H new ATOM 0 HA PHE A 88 -3.862 14.339 0.086 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -5.395 14.384 -1.650 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -3.956 13.851 -2.496 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -3.690 11.077 -2.149 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -7.306 13.318 -2.378 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -4.883 9.070 -2.914 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -8.502 11.313 -3.142 1.00 0.00 H new ATOM 0 HZ PHE A 88 -7.292 9.185 -3.416 1.00 0.00 H new ATOM 1330 N SER A 89 -4.590 11.156 0.372 1.00 0.00 N ATOM 1331 CA SER A 89 -5.318 10.181 1.175 1.00 0.00 C ATOM 1332 C SER A 89 -6.822 10.422 1.090 1.00 0.00 C ATOM 1333 O SER A 89 -7.523 10.398 2.101 1.00 0.00 O ATOM 1334 CB SER A 89 -4.860 10.246 2.633 1.00 0.00 C ATOM 1335 OG SER A 89 -5.513 9.262 3.416 1.00 0.00 O ATOM 0 H SER A 89 -3.925 10.749 -0.285 1.00 0.00 H new ATOM 0 HA SER A 89 -5.104 9.188 0.779 1.00 0.00 H new ATOM 0 HB2 SER A 89 -3.781 10.100 2.686 1.00 0.00 H new ATOM 0 HB3 SER A 89 -5.068 11.236 3.039 1.00 0.00 H new ATOM 0 HG SER A 89 -6.484 9.367 3.331 1.00 0.00 H new ATOM 1341 N GLY A 90 -7.311 10.655 -0.124 1.00 0.00 N ATOM 1342 CA GLY A 90 -8.728 10.898 -0.319 1.00 0.00 C ATOM 1343 C GLY A 90 -9.094 12.360 -0.152 1.00 0.00 C ATOM 1344 O GLY A 90 -8.282 13.180 0.277 1.00 0.00 O ATOM 0 H GLY A 90 -6.751 10.680 -0.976 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -9.017 10.566 -1.316 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -9.297 10.300 0.393 1.00 0.00 H new ATOM 1348 N PRO A 91 -10.343 12.704 -0.499 1.00 0.00 N ATOM 1349 CA PRO A 91 -10.843 14.078 -0.395 1.00 0.00 C ATOM 1350 C PRO A 91 -11.017 14.524 1.052 1.00 0.00 C ATOM 1351 O PRO A 91 -12.021 14.210 1.692 1.00 0.00 O ATOM 1352 CB PRO A 91 -12.199 14.017 -1.102 1.00 0.00 C ATOM 1353 CG PRO A 91 -12.626 12.595 -0.980 1.00 0.00 C ATOM 1354 CD PRO A 91 -11.364 11.779 -1.018 1.00 0.00 C ATOM 0 HA PRO A 91 -10.151 14.797 -0.833 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -12.920 14.688 -0.635 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -12.115 14.317 -2.147 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -13.170 12.429 -0.050 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -13.295 12.317 -1.794 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -11.446 10.884 -0.401 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -11.130 11.449 -2.030 1.00 0.00 H new ATOM 1362 N SER A 92 -10.033 15.258 1.563 1.00 0.00 N ATOM 1363 CA SER A 92 -10.077 15.745 2.937 1.00 0.00 C ATOM 1364 C SER A 92 -11.286 16.649 3.155 1.00 0.00 C ATOM 1365 O SER A 92 -11.372 17.737 2.585 1.00 0.00 O ATOM 1366 CB SER A 92 -8.791 16.503 3.273 1.00 0.00 C ATOM 1367 OG SER A 92 -7.672 15.634 3.273 1.00 0.00 O ATOM 0 H SER A 92 -9.196 15.528 1.046 1.00 0.00 H new ATOM 0 HA SER A 92 -10.166 14.884 3.599 1.00 0.00 H new ATOM 0 HB2 SER A 92 -8.635 17.301 2.547 1.00 0.00 H new ATOM 0 HB3 SER A 92 -8.888 16.975 4.250 1.00 0.00 H new ATOM 0 HG SER A 92 -6.863 16.143 3.489 1.00 0.00 H new ATOM 1373 N SER A 93 -12.217 16.192 3.985 1.00 0.00 N ATOM 1374 CA SER A 93 -13.424 16.957 4.277 1.00 0.00 C ATOM 1375 C SER A 93 -13.117 18.118 5.218 1.00 0.00 C ATOM 1376 O SER A 93 -13.556 19.245 4.995 1.00 0.00 O ATOM 1377 CB SER A 93 -14.490 16.051 4.897 1.00 0.00 C ATOM 1378 OG SER A 93 -14.124 15.657 6.209 1.00 0.00 O ATOM 0 H SER A 93 -12.159 15.295 4.468 1.00 0.00 H new ATOM 0 HA SER A 93 -13.803 17.363 3.339 1.00 0.00 H new ATOM 0 HB2 SER A 93 -15.446 16.575 4.924 1.00 0.00 H new ATOM 0 HB3 SER A 93 -14.628 15.168 4.274 1.00 0.00 H new ATOM 0 HG SER A 93 -14.822 15.080 6.584 1.00 0.00 H new ATOM 1384 N GLY A 94 -12.358 17.833 6.272 1.00 0.00 N ATOM 1385 CA GLY A 94 -12.004 18.862 7.232 1.00 0.00 C ATOM 1386 C GLY A 94 -11.754 18.302 8.617 1.00 0.00 C ATOM 1387 O GLY A 94 -12.274 18.818 9.606 1.00 0.00 O ATOM 0 H GLY A 94 -11.982 16.907 6.478 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -11.111 19.384 6.888 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -12.805 19.600 7.281 1.00 0.00 H new TER 1391 GLY A 94