USER MOD reduce.3.24.130724 H: found=0, std=0, add=695, rem=0, adj=23 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 81:sc= -0.0526 USER MOD Set 1.2: A 74 ASN : amide:sc= -0.85 K(o=-0.9,f=-0.38) USER MOD Set 2.1: A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 89 SER OG : rot 149:sc= -0.702 USER MOD Set 3.1: A 14 SER OG : rot -109:sc= -0.402 USER MOD Set 3.2: A 16 THR OG1 : rot 180:sc= 0.0946 USER MOD Single : A 1 GLY N :NH3+ -133:sc= 0.0779 (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 X(o=0,f=-0.48) USER MOD Single : A 20 THR OG1 : rot -21:sc= 0.588 USER MOD Single : A 21 CYS SG : rot -57:sc= -1.37 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.0595 USER MOD Single : A 30 GLN : amide:sc= -1.42 X(o=-1.4,f=-1) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -145:sc= -0.895 (180deg=-1.89!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 CYS SG : rot -130:sc= -0.128 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 44 ASN : amide:sc= -6.58! C(o=-6.6!,f=-17!) USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.128 USER MOD Single : A 53 LYS NZ :NH3+ 146:sc= -0.748 (180deg=-2.23!) USER MOD Single : A 57 ASN : amide:sc= -4.21! C(o=-4.2!,f=-2.3!) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= -0.0296 USER MOD Single : A 80 HIS : no HD1:sc= -2.45! C(o=-2.5!,f=-2!) USER MOD Single : A 83 GLN : amide:sc= -0.0343 K(o=-0.034,f=-1.3) USER MOD Single : A 84 LYS NZ :NH3+ 157:sc= -0.0773 (180deg=-0.454) USER MOD Single : A 92 SER OG : rot 180:sc= -0.044 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.621 11.979 -28.471 1.00 0.00 N ATOM 2 CA GLY A 1 10.874 10.929 -29.440 1.00 0.00 C ATOM 3 C GLY A 1 10.322 9.588 -29.000 1.00 0.00 C ATOM 4 O GLY A 1 9.525 9.514 -28.065 1.00 0.00 O ATOM 0 H1 GLY A 1 10.251 12.820 -28.959 1.00 0.00 H new ATOM 0 H2 GLY A 1 9.924 11.648 -27.774 1.00 0.00 H new ATOM 0 H3 GLY A 1 11.507 12.223 -27.985 1.00 0.00 H new ATOM 0 HA2 GLY A 1 10.429 11.206 -30.396 1.00 0.00 H new ATOM 0 HA3 GLY A 1 11.948 10.840 -29.603 1.00 0.00 H new ATOM 8 N SER A 2 10.746 8.525 -29.675 1.00 0.00 N ATOM 9 CA SER A 2 10.285 7.180 -29.352 1.00 0.00 C ATOM 10 C SER A 2 10.326 6.939 -27.846 1.00 0.00 C ATOM 11 O SER A 2 9.356 6.464 -27.255 1.00 0.00 O ATOM 12 CB SER A 2 11.143 6.137 -30.070 1.00 0.00 C ATOM 13 OG SER A 2 11.077 6.303 -31.476 1.00 0.00 O ATOM 0 H SER A 2 11.408 8.569 -30.449 1.00 0.00 H new ATOM 0 HA SER A 2 9.253 7.086 -29.690 1.00 0.00 H new ATOM 0 HB2 SER A 2 12.178 6.222 -29.739 1.00 0.00 H new ATOM 0 HB3 SER A 2 10.804 5.136 -29.802 1.00 0.00 H new ATOM 0 HG SER A 2 11.635 5.626 -31.912 1.00 0.00 H new ATOM 19 N SER A 3 11.457 7.270 -27.231 1.00 0.00 N ATOM 20 CA SER A 3 11.628 7.087 -25.794 1.00 0.00 C ATOM 21 C SER A 3 12.108 8.377 -25.135 1.00 0.00 C ATOM 22 O SER A 3 12.922 9.108 -25.697 1.00 0.00 O ATOM 23 CB SER A 3 12.622 5.958 -25.517 1.00 0.00 C ATOM 24 OG SER A 3 12.843 5.803 -24.126 1.00 0.00 O ATOM 0 H SER A 3 12.269 7.666 -27.705 1.00 0.00 H new ATOM 0 HA SER A 3 10.660 6.821 -25.369 1.00 0.00 H new ATOM 0 HB2 SER A 3 12.243 5.025 -25.934 1.00 0.00 H new ATOM 0 HB3 SER A 3 13.567 6.170 -26.017 1.00 0.00 H new ATOM 0 HG SER A 3 13.481 5.074 -23.975 1.00 0.00 H new ATOM 30 N GLY A 4 11.598 8.648 -23.938 1.00 0.00 N ATOM 31 CA GLY A 4 11.985 9.849 -23.221 1.00 0.00 C ATOM 32 C GLY A 4 11.184 10.050 -21.950 1.00 0.00 C ATOM 33 O GLY A 4 10.186 9.366 -21.723 1.00 0.00 O ATOM 0 H GLY A 4 10.924 8.057 -23.452 1.00 0.00 H new ATOM 0 HA2 GLY A 4 13.045 9.795 -22.974 1.00 0.00 H new ATOM 0 HA3 GLY A 4 11.853 10.714 -23.870 1.00 0.00 H new ATOM 37 N SER A 5 11.621 10.990 -21.119 1.00 0.00 N ATOM 38 CA SER A 5 10.940 11.276 -19.861 1.00 0.00 C ATOM 39 C SER A 5 10.191 12.603 -19.939 1.00 0.00 C ATOM 40 O SER A 5 10.691 13.579 -20.497 1.00 0.00 O ATOM 41 CB SER A 5 11.946 11.311 -18.709 1.00 0.00 C ATOM 42 OG SER A 5 11.285 11.341 -17.456 1.00 0.00 O ATOM 0 H SER A 5 12.444 11.567 -21.294 1.00 0.00 H new ATOM 0 HA SER A 5 10.217 10.481 -19.678 1.00 0.00 H new ATOM 0 HB2 SER A 5 12.594 10.436 -18.761 1.00 0.00 H new ATOM 0 HB3 SER A 5 12.586 12.188 -18.807 1.00 0.00 H new ATOM 0 HG SER A 5 11.950 11.361 -16.736 1.00 0.00 H new ATOM 48 N SER A 6 8.988 12.629 -19.374 1.00 0.00 N ATOM 49 CA SER A 6 8.167 13.834 -19.381 1.00 0.00 C ATOM 50 C SER A 6 7.589 14.106 -17.995 1.00 0.00 C ATOM 51 O SER A 6 7.447 13.196 -17.180 1.00 0.00 O ATOM 52 CB SER A 6 7.034 13.698 -20.400 1.00 0.00 C ATOM 53 OG SER A 6 6.298 14.905 -20.508 1.00 0.00 O ATOM 0 H SER A 6 8.561 11.830 -18.906 1.00 0.00 H new ATOM 0 HA SER A 6 8.801 14.675 -19.663 1.00 0.00 H new ATOM 0 HB2 SER A 6 7.446 13.431 -21.373 1.00 0.00 H new ATOM 0 HB3 SER A 6 6.368 12.888 -20.103 1.00 0.00 H new ATOM 0 HG SER A 6 5.581 14.793 -21.166 1.00 0.00 H new ATOM 59 N GLY A 7 7.259 15.368 -17.736 1.00 0.00 N ATOM 60 CA GLY A 7 6.701 15.739 -16.449 1.00 0.00 C ATOM 61 C GLY A 7 7.770 16.091 -15.433 1.00 0.00 C ATOM 62 O GLY A 7 8.853 16.549 -15.796 1.00 0.00 O ATOM 0 H GLY A 7 7.368 16.139 -18.394 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.033 16.590 -16.578 1.00 0.00 H new ATOM 0 HA3 GLY A 7 6.098 14.915 -16.067 1.00 0.00 H new ATOM 66 N ASN A 8 7.465 15.879 -14.157 1.00 0.00 N ATOM 67 CA ASN A 8 8.407 16.179 -13.086 1.00 0.00 C ATOM 68 C ASN A 8 8.896 14.898 -12.416 1.00 0.00 C ATOM 69 O ASN A 8 8.395 13.809 -12.696 1.00 0.00 O ATOM 70 CB ASN A 8 7.756 17.094 -12.047 1.00 0.00 C ATOM 71 CG ASN A 8 7.804 18.555 -12.452 1.00 0.00 C ATOM 72 OD1 ASN A 8 7.436 18.912 -13.571 1.00 0.00 O ATOM 73 ND2 ASN A 8 8.260 19.406 -11.541 1.00 0.00 N ATOM 0 H ASN A 8 6.573 15.500 -13.840 1.00 0.00 H new ATOM 0 HA ASN A 8 9.265 16.689 -13.524 1.00 0.00 H new ATOM 0 HB2 ASN A 8 6.718 16.794 -11.902 1.00 0.00 H new ATOM 0 HB3 ASN A 8 8.261 16.969 -11.089 1.00 0.00 H new ATOM 0 HD21 ASN A 8 8.316 20.401 -11.756 1.00 0.00 H new ATOM 0 HD22 ASN A 8 8.554 19.064 -10.626 1.00 0.00 H new ATOM 80 N ASP A 9 9.876 15.037 -11.531 1.00 0.00 N ATOM 81 CA ASP A 9 10.432 13.892 -10.819 1.00 0.00 C ATOM 82 C ASP A 9 9.606 13.570 -9.578 1.00 0.00 C ATOM 83 O ASP A 9 9.786 12.524 -8.954 1.00 0.00 O ATOM 84 CB ASP A 9 11.884 14.165 -10.424 1.00 0.00 C ATOM 85 CG ASP A 9 11.997 15.171 -9.295 1.00 0.00 C ATOM 86 OD1 ASP A 9 11.432 16.277 -9.428 1.00 0.00 O ATOM 87 OD2 ASP A 9 12.651 14.853 -8.280 1.00 0.00 O ATOM 0 H ASP A 9 10.302 15.931 -11.289 1.00 0.00 H new ATOM 0 HA ASP A 9 10.402 13.031 -11.487 1.00 0.00 H new ATOM 0 HB2 ASP A 9 12.358 13.231 -10.123 1.00 0.00 H new ATOM 0 HB3 ASP A 9 12.430 14.534 -11.292 1.00 0.00 H new ATOM 92 N ALA A 10 8.700 14.476 -9.225 1.00 0.00 N ATOM 93 CA ALA A 10 7.846 14.288 -8.059 1.00 0.00 C ATOM 94 C ALA A 10 6.728 13.293 -8.352 1.00 0.00 C ATOM 95 O ALA A 10 5.782 13.602 -9.078 1.00 0.00 O ATOM 96 CB ALA A 10 7.265 15.620 -7.610 1.00 0.00 C ATOM 0 H ALA A 10 8.539 15.347 -9.730 1.00 0.00 H new ATOM 0 HA ALA A 10 8.457 13.881 -7.254 1.00 0.00 H new ATOM 0 HB1 ALA A 10 6.629 15.464 -6.738 1.00 0.00 H new ATOM 0 HB2 ALA A 10 8.075 16.302 -7.351 1.00 0.00 H new ATOM 0 HB3 ALA A 10 6.674 16.050 -8.418 1.00 0.00 H new ATOM 102 N VAL A 11 6.842 12.096 -7.785 1.00 0.00 N ATOM 103 CA VAL A 11 5.841 11.056 -7.985 1.00 0.00 C ATOM 104 C VAL A 11 4.440 11.577 -7.686 1.00 0.00 C ATOM 105 O VAL A 11 3.484 11.260 -8.395 1.00 0.00 O ATOM 106 CB VAL A 11 6.121 9.829 -7.097 1.00 0.00 C ATOM 107 CG1 VAL A 11 7.445 9.185 -7.478 1.00 0.00 C ATOM 108 CG2 VAL A 11 6.113 10.222 -5.628 1.00 0.00 C ATOM 0 H VAL A 11 7.619 11.823 -7.183 1.00 0.00 H new ATOM 0 HA VAL A 11 5.899 10.758 -9.032 1.00 0.00 H new ATOM 0 HB VAL A 11 5.329 9.097 -7.258 1.00 0.00 H new ATOM 0 HG11 VAL A 11 7.626 8.320 -6.840 1.00 0.00 H new ATOM 0 HG12 VAL A 11 7.408 8.866 -8.520 1.00 0.00 H new ATOM 0 HG13 VAL A 11 8.251 9.907 -7.348 1.00 0.00 H new ATOM 0 HG21 VAL A 11 6.312 9.343 -5.015 1.00 0.00 H new ATOM 0 HG22 VAL A 11 6.883 10.972 -5.448 1.00 0.00 H new ATOM 0 HG23 VAL A 11 5.138 10.633 -5.367 1.00 0.00 H new ATOM 118 N ASP A 12 4.325 12.377 -6.632 1.00 0.00 N ATOM 119 CA ASP A 12 3.040 12.945 -6.240 1.00 0.00 C ATOM 120 C ASP A 12 2.212 13.316 -7.466 1.00 0.00 C ATOM 121 O ASP A 12 1.018 13.025 -7.534 1.00 0.00 O ATOM 122 CB ASP A 12 3.250 14.177 -5.358 1.00 0.00 C ATOM 123 CG ASP A 12 4.444 15.003 -5.794 1.00 0.00 C ATOM 124 OD1 ASP A 12 4.492 15.398 -6.977 1.00 0.00 O ATOM 125 OD2 ASP A 12 5.332 15.255 -4.951 1.00 0.00 O ATOM 0 H ASP A 12 5.106 12.647 -6.034 1.00 0.00 H new ATOM 0 HA ASP A 12 2.496 12.190 -5.672 1.00 0.00 H new ATOM 0 HB2 ASP A 12 2.354 14.797 -5.385 1.00 0.00 H new ATOM 0 HB3 ASP A 12 3.388 13.861 -4.324 1.00 0.00 H new ATOM 130 N PHE A 13 2.855 13.963 -8.433 1.00 0.00 N ATOM 131 CA PHE A 13 2.178 14.378 -9.656 1.00 0.00 C ATOM 132 C PHE A 13 1.332 13.240 -10.221 1.00 0.00 C ATOM 133 O PHE A 13 0.165 13.431 -10.563 1.00 0.00 O ATOM 134 CB PHE A 13 3.199 14.836 -10.699 1.00 0.00 C ATOM 135 CG PHE A 13 3.669 16.248 -10.499 1.00 0.00 C ATOM 136 CD1 PHE A 13 2.782 17.308 -10.601 1.00 0.00 C ATOM 137 CD2 PHE A 13 4.996 16.516 -10.206 1.00 0.00 C ATOM 138 CE1 PHE A 13 3.212 18.609 -10.418 1.00 0.00 C ATOM 139 CE2 PHE A 13 5.432 17.814 -10.021 1.00 0.00 C ATOM 140 CZ PHE A 13 4.538 18.862 -10.126 1.00 0.00 C ATOM 0 H PHE A 13 3.844 14.211 -8.393 1.00 0.00 H new ATOM 0 HA PHE A 13 1.519 15.212 -9.413 1.00 0.00 H new ATOM 0 HB2 PHE A 13 4.060 14.168 -10.671 1.00 0.00 H new ATOM 0 HB3 PHE A 13 2.758 14.746 -11.692 1.00 0.00 H new ATOM 0 HD1 PHE A 13 1.743 17.115 -10.826 1.00 0.00 H new ATOM 0 HD2 PHE A 13 5.699 15.700 -10.121 1.00 0.00 H new ATOM 0 HE1 PHE A 13 2.512 19.427 -10.503 1.00 0.00 H new ATOM 0 HE2 PHE A 13 6.470 18.009 -9.795 1.00 0.00 H new ATOM 0 HZ PHE A 13 4.875 19.877 -9.980 1.00 0.00 H new ATOM 150 N SER A 14 1.930 12.057 -10.317 1.00 0.00 N ATOM 151 CA SER A 14 1.234 10.889 -10.845 1.00 0.00 C ATOM 152 C SER A 14 0.136 10.433 -9.888 1.00 0.00 C ATOM 153 O SER A 14 0.299 10.437 -8.668 1.00 0.00 O ATOM 154 CB SER A 14 2.222 9.747 -11.087 1.00 0.00 C ATOM 155 OG SER A 14 1.599 8.667 -11.761 1.00 0.00 O ATOM 0 H SER A 14 2.895 11.882 -10.036 1.00 0.00 H new ATOM 0 HA SER A 14 0.773 11.168 -11.793 1.00 0.00 H new ATOM 0 HB2 SER A 14 3.065 10.110 -11.676 1.00 0.00 H new ATOM 0 HB3 SER A 14 2.624 9.402 -10.134 1.00 0.00 H new ATOM 0 HG SER A 14 1.491 7.914 -11.143 1.00 0.00 H new ATOM 161 N PRO A 15 -1.011 10.030 -10.455 1.00 0.00 N ATOM 162 CA PRO A 15 -2.159 9.563 -9.672 1.00 0.00 C ATOM 163 C PRO A 15 -1.898 8.214 -9.009 1.00 0.00 C ATOM 164 O PRO A 15 -2.776 7.653 -8.353 1.00 0.00 O ATOM 165 CB PRO A 15 -3.273 9.440 -10.715 1.00 0.00 C ATOM 166 CG PRO A 15 -2.561 9.226 -12.006 1.00 0.00 C ATOM 167 CD PRO A 15 -1.275 9.999 -11.903 1.00 0.00 C ATOM 0 HA PRO A 15 -2.397 10.241 -8.852 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -3.938 8.607 -10.487 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -3.887 10.340 -10.746 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -2.367 8.167 -12.174 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -3.161 9.577 -12.845 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -0.468 9.510 -12.448 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -1.376 11.003 -12.315 1.00 0.00 H new ATOM 175 N THR A 16 -0.685 7.699 -9.184 1.00 0.00 N ATOM 176 CA THR A 16 -0.310 6.416 -8.604 1.00 0.00 C ATOM 177 C THR A 16 0.946 6.546 -7.749 1.00 0.00 C ATOM 178 O THR A 16 1.891 7.242 -8.118 1.00 0.00 O ATOM 179 CB THR A 16 -0.067 5.355 -9.694 1.00 0.00 C ATOM 180 OG1 THR A 16 0.926 5.819 -10.616 1.00 0.00 O ATOM 181 CG2 THR A 16 -1.354 5.043 -10.442 1.00 0.00 C ATOM 0 H THR A 16 0.054 8.151 -9.723 1.00 0.00 H new ATOM 0 HA THR A 16 -1.143 6.097 -7.977 1.00 0.00 H new ATOM 0 HB THR A 16 0.284 4.443 -9.211 1.00 0.00 H new ATOM 0 HG1 THR A 16 1.076 5.138 -11.305 1.00 0.00 H new ATOM 0 HG21 THR A 16 -1.157 4.291 -11.207 1.00 0.00 H new ATOM 0 HG22 THR A 16 -2.098 4.663 -9.742 1.00 0.00 H new ATOM 0 HG23 THR A 16 -1.730 5.951 -10.914 1.00 0.00 H new ATOM 189 N LEU A 17 0.949 5.870 -6.605 1.00 0.00 N ATOM 190 CA LEU A 17 2.090 5.910 -5.697 1.00 0.00 C ATOM 191 C LEU A 17 2.497 4.503 -5.272 1.00 0.00 C ATOM 192 O LEU A 17 1.659 3.636 -5.020 1.00 0.00 O ATOM 193 CB LEU A 17 1.757 6.752 -4.463 1.00 0.00 C ATOM 194 CG LEU A 17 1.159 8.127 -4.760 1.00 0.00 C ATOM 195 CD1 LEU A 17 0.699 8.798 -3.475 1.00 0.00 C ATOM 196 CD2 LEU A 17 2.169 9.001 -5.487 1.00 0.00 C ATOM 0 H LEU A 17 0.175 5.288 -6.285 1.00 0.00 H new ATOM 0 HA LEU A 17 2.927 6.367 -6.225 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.057 6.195 -3.840 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.667 6.887 -3.878 1.00 0.00 H new ATOM 0 HG LEU A 17 0.292 7.993 -5.406 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.276 9.776 -3.706 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.058 8.180 -2.993 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.549 8.920 -2.804 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.726 9.976 -5.691 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.055 9.127 -4.865 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.450 8.527 -6.427 1.00 0.00 H new ATOM 208 N PRO A 18 3.815 4.268 -5.191 1.00 0.00 N ATOM 209 CA PRO A 18 4.364 2.967 -4.797 1.00 0.00 C ATOM 210 C PRO A 18 4.118 2.656 -3.324 1.00 0.00 C ATOM 211 O PRO A 18 4.558 3.393 -2.442 1.00 0.00 O ATOM 212 CB PRO A 18 5.863 3.117 -5.069 1.00 0.00 C ATOM 213 CG PRO A 18 6.119 4.582 -4.976 1.00 0.00 C ATOM 214 CD PRO A 18 4.871 5.254 -5.477 1.00 0.00 C ATOM 0 HA PRO A 18 3.898 2.146 -5.342 1.00 0.00 H new ATOM 0 HB2 PRO A 18 6.455 2.564 -4.340 1.00 0.00 H new ATOM 0 HB3 PRO A 18 6.128 2.730 -6.053 1.00 0.00 H new ATOM 0 HG2 PRO A 18 6.335 4.876 -3.949 1.00 0.00 H new ATOM 0 HG3 PRO A 18 6.983 4.866 -5.577 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.689 6.198 -4.964 1.00 0.00 H new ATOM 0 HD3 PRO A 18 4.935 5.477 -6.542 1.00 0.00 H new ATOM 222 N VAL A 19 3.414 1.559 -3.066 1.00 0.00 N ATOM 223 CA VAL A 19 3.111 1.149 -1.699 1.00 0.00 C ATOM 224 C VAL A 19 3.575 -0.279 -1.438 1.00 0.00 C ATOM 225 O VAL A 19 3.547 -1.127 -2.331 1.00 0.00 O ATOM 226 CB VAL A 19 1.602 1.249 -1.405 1.00 0.00 C ATOM 227 CG1 VAL A 19 1.132 2.692 -1.509 1.00 0.00 C ATOM 228 CG2 VAL A 19 0.815 0.354 -2.349 1.00 0.00 C ATOM 0 H VAL A 19 3.043 0.938 -3.785 1.00 0.00 H new ATOM 0 HA VAL A 19 3.648 1.829 -1.038 1.00 0.00 H new ATOM 0 HB VAL A 19 1.425 0.907 -0.385 1.00 0.00 H new ATOM 0 HG11 VAL A 19 0.064 2.743 -1.298 1.00 0.00 H new ATOM 0 HG12 VAL A 19 1.674 3.304 -0.788 1.00 0.00 H new ATOM 0 HG13 VAL A 19 1.321 3.065 -2.516 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.249 0.437 -2.127 1.00 0.00 H new ATOM 0 HG22 VAL A 19 0.996 0.663 -3.379 1.00 0.00 H new ATOM 0 HG23 VAL A 19 1.133 -0.681 -2.219 1.00 0.00 H new ATOM 238 N THR A 20 4.002 -0.541 -0.207 1.00 0.00 N ATOM 239 CA THR A 20 4.473 -1.867 0.173 1.00 0.00 C ATOM 240 C THR A 20 4.060 -2.209 1.600 1.00 0.00 C ATOM 241 O THR A 20 4.264 -1.418 2.522 1.00 0.00 O ATOM 242 CB THR A 20 6.005 -1.975 0.054 1.00 0.00 C ATOM 243 OG1 THR A 20 6.627 -0.865 0.711 1.00 0.00 O ATOM 244 CG2 THR A 20 6.433 -2.011 -1.406 1.00 0.00 C ATOM 0 H THR A 20 4.031 0.148 0.544 1.00 0.00 H new ATOM 0 HA THR A 20 4.012 -2.575 -0.515 1.00 0.00 H new ATOM 0 HB THR A 20 6.320 -2.903 0.532 1.00 0.00 H new ATOM 0 HG1 THR A 20 5.982 -0.132 0.797 1.00 0.00 H new ATOM 0 HG21 THR A 20 7.519 -2.087 -1.465 1.00 0.00 H new ATOM 0 HG22 THR A 20 5.981 -2.873 -1.896 1.00 0.00 H new ATOM 0 HG23 THR A 20 6.106 -1.098 -1.904 1.00 0.00 H new ATOM 252 N CYS A 21 3.481 -3.391 1.776 1.00 0.00 N ATOM 253 CA CYS A 21 3.039 -3.838 3.092 1.00 0.00 C ATOM 254 C CYS A 21 3.577 -5.232 3.402 1.00 0.00 C ATOM 255 O CYS A 21 3.073 -6.230 2.890 1.00 0.00 O ATOM 256 CB CYS A 21 1.512 -3.839 3.168 1.00 0.00 C ATOM 257 SG CYS A 21 0.854 -4.202 4.812 1.00 0.00 S ATOM 0 H CYS A 21 3.307 -4.057 1.024 1.00 0.00 H new ATOM 0 HA CYS A 21 3.431 -3.143 3.835 1.00 0.00 H new ATOM 0 HB2 CYS A 21 1.143 -2.865 2.848 1.00 0.00 H new ATOM 0 HB3 CYS A 21 1.124 -4.574 2.463 1.00 0.00 H new ATOM 0 HG CYS A 21 1.313 -5.348 5.220 1.00 0.00 H new ATOM 263 N GLY A 22 4.605 -5.290 4.243 1.00 0.00 N ATOM 264 CA GLY A 22 5.195 -6.566 4.605 1.00 0.00 C ATOM 265 C GLY A 22 5.623 -7.371 3.394 1.00 0.00 C ATOM 266 O GLY A 22 6.586 -7.019 2.713 1.00 0.00 O ATOM 0 H GLY A 22 5.040 -4.477 4.680 1.00 0.00 H new ATOM 0 HA2 GLY A 22 6.059 -6.394 5.247 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.476 -7.144 5.186 1.00 0.00 H new ATOM 270 N LYS A 23 4.906 -8.457 3.125 1.00 0.00 N ATOM 271 CA LYS A 23 5.216 -9.316 1.988 1.00 0.00 C ATOM 272 C LYS A 23 4.318 -8.991 0.800 1.00 0.00 C ATOM 273 O LYS A 23 4.188 -9.788 -0.129 1.00 0.00 O ATOM 274 CB LYS A 23 5.054 -10.788 2.376 1.00 0.00 C ATOM 275 CG LYS A 23 5.623 -11.122 3.744 1.00 0.00 C ATOM 276 CD LYS A 23 7.140 -11.041 3.753 1.00 0.00 C ATOM 277 CE LYS A 23 7.671 -10.682 5.132 1.00 0.00 C ATOM 278 NZ LYS A 23 9.082 -10.209 5.077 1.00 0.00 N ATOM 0 H LYS A 23 4.106 -8.763 3.679 1.00 0.00 H new ATOM 0 HA LYS A 23 6.251 -9.134 1.699 1.00 0.00 H new ATOM 0 HB2 LYS A 23 3.995 -11.045 2.360 1.00 0.00 H new ATOM 0 HB3 LYS A 23 5.544 -11.409 1.626 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.217 -10.434 4.486 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.310 -12.125 4.034 1.00 0.00 H new ATOM 0 HD2 LYS A 23 7.558 -11.997 3.439 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.470 -10.295 3.030 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.045 -9.906 5.572 1.00 0.00 H new ATOM 0 HE3 LYS A 23 7.605 -11.553 5.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 9.407 -9.974 6.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 9.684 -10.959 4.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 9.141 -9.363 4.475 1.00 0.00 H new ATOM 292 N ALA A 24 3.701 -7.815 0.835 1.00 0.00 N ATOM 293 CA ALA A 24 2.817 -7.383 -0.242 1.00 0.00 C ATOM 294 C ALA A 24 3.342 -6.115 -0.907 1.00 0.00 C ATOM 295 O ALA A 24 3.865 -5.222 -0.240 1.00 0.00 O ATOM 296 CB ALA A 24 1.409 -7.159 0.289 1.00 0.00 C ATOM 0 H ALA A 24 3.796 -7.144 1.597 1.00 0.00 H new ATOM 0 HA ALA A 24 2.788 -8.171 -0.994 1.00 0.00 H new ATOM 0 HB1 ALA A 24 0.760 -6.837 -0.525 1.00 0.00 H new ATOM 0 HB2 ALA A 24 1.027 -8.089 0.711 1.00 0.00 H new ATOM 0 HB3 ALA A 24 1.430 -6.391 1.062 1.00 0.00 H new ATOM 302 N LYS A 25 3.200 -6.043 -2.226 1.00 0.00 N ATOM 303 CA LYS A 25 3.658 -4.884 -2.983 1.00 0.00 C ATOM 304 C LYS A 25 2.677 -4.539 -4.099 1.00 0.00 C ATOM 305 O LYS A 25 2.221 -5.417 -4.831 1.00 0.00 O ATOM 306 CB LYS A 25 5.045 -5.151 -3.574 1.00 0.00 C ATOM 307 CG LYS A 25 6.033 -5.723 -2.572 1.00 0.00 C ATOM 308 CD LYS A 25 7.371 -6.032 -3.223 1.00 0.00 C ATOM 309 CE LYS A 25 7.344 -7.372 -3.942 1.00 0.00 C ATOM 310 NZ LYS A 25 8.716 -7.858 -4.261 1.00 0.00 N ATOM 0 H LYS A 25 2.771 -6.774 -2.793 1.00 0.00 H new ATOM 0 HA LYS A 25 3.717 -4.036 -2.300 1.00 0.00 H new ATOM 0 HB2 LYS A 25 4.947 -5.843 -4.411 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.445 -4.220 -3.975 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.179 -5.013 -1.758 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.622 -6.632 -2.133 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.623 -5.243 -3.931 1.00 0.00 H new ATOM 0 HD3 LYS A 25 8.153 -6.041 -2.464 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.834 -8.108 -3.320 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.768 -7.279 -4.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 8.655 -8.774 -4.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 9.195 -7.168 -4.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 9.257 -7.972 -3.380 1.00 0.00 H new ATOM 324 N GLY A 26 2.356 -3.255 -4.223 1.00 0.00 N ATOM 325 CA GLY A 26 1.431 -2.817 -5.252 1.00 0.00 C ATOM 326 C GLY A 26 1.542 -1.333 -5.538 1.00 0.00 C ATOM 327 O GLY A 26 2.628 -0.757 -5.464 1.00 0.00 O ATOM 0 H GLY A 26 2.720 -2.510 -3.629 1.00 0.00 H new ATOM 0 HA2 GLY A 26 1.621 -3.376 -6.168 1.00 0.00 H new ATOM 0 HA3 GLY A 26 0.412 -3.049 -4.943 1.00 0.00 H new ATOM 331 N THR A 27 0.415 -0.710 -5.868 1.00 0.00 N ATOM 332 CA THR A 27 0.390 0.716 -6.168 1.00 0.00 C ATOM 333 C THR A 27 -0.979 1.317 -5.870 1.00 0.00 C ATOM 334 O THR A 27 -2.004 0.805 -6.320 1.00 0.00 O ATOM 335 CB THR A 27 0.745 0.985 -7.643 1.00 0.00 C ATOM 336 OG1 THR A 27 2.034 0.438 -7.943 1.00 0.00 O ATOM 337 CG2 THR A 27 0.741 2.478 -7.936 1.00 0.00 C ATOM 0 H THR A 27 -0.493 -1.171 -5.934 1.00 0.00 H new ATOM 0 HA THR A 27 1.137 1.187 -5.529 1.00 0.00 H new ATOM 0 HB THR A 27 -0.008 0.506 -8.269 1.00 0.00 H new ATOM 0 HG1 THR A 27 2.252 0.611 -8.883 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.994 2.644 -8.983 1.00 0.00 H new ATOM 0 HG22 THR A 27 -0.249 2.886 -7.733 1.00 0.00 H new ATOM 0 HG23 THR A 27 1.475 2.975 -7.302 1.00 0.00 H new ATOM 345 N LEU A 28 -0.989 2.406 -5.109 1.00 0.00 N ATOM 346 CA LEU A 28 -2.233 3.078 -4.751 1.00 0.00 C ATOM 347 C LEU A 28 -2.620 4.107 -5.808 1.00 0.00 C ATOM 348 O LEU A 28 -1.784 4.884 -6.270 1.00 0.00 O ATOM 349 CB LEU A 28 -2.095 3.758 -3.387 1.00 0.00 C ATOM 350 CG LEU A 28 -3.206 4.750 -3.043 1.00 0.00 C ATOM 351 CD1 LEU A 28 -4.344 4.049 -2.319 1.00 0.00 C ATOM 352 CD2 LEU A 28 -2.658 5.891 -2.198 1.00 0.00 C ATOM 0 H LEU A 28 -0.149 2.842 -4.728 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.020 2.326 -4.697 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.065 2.988 -2.616 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.139 4.281 -3.354 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.596 5.165 -3.972 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.125 4.772 -2.083 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.755 3.267 -2.958 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.970 3.605 -1.397 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.462 6.588 -1.962 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.241 5.491 -1.273 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.877 6.412 -2.752 1.00 0.00 H new ATOM 364 N PHE A 29 -3.893 4.105 -6.188 1.00 0.00 N ATOM 365 CA PHE A 29 -4.392 5.038 -7.193 1.00 0.00 C ATOM 366 C PHE A 29 -5.361 6.039 -6.571 1.00 0.00 C ATOM 367 O PHE A 29 -6.522 5.719 -6.319 1.00 0.00 O ATOM 368 CB PHE A 29 -5.084 4.277 -8.326 1.00 0.00 C ATOM 369 CG PHE A 29 -4.143 3.449 -9.154 1.00 0.00 C ATOM 370 CD1 PHE A 29 -3.345 2.483 -8.561 1.00 0.00 C ATOM 371 CD2 PHE A 29 -4.056 3.635 -10.524 1.00 0.00 C ATOM 372 CE1 PHE A 29 -2.478 1.720 -9.320 1.00 0.00 C ATOM 373 CE2 PHE A 29 -3.192 2.875 -11.288 1.00 0.00 C ATOM 374 CZ PHE A 29 -2.402 1.915 -10.685 1.00 0.00 C ATOM 0 H PHE A 29 -4.598 3.469 -5.816 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.542 5.586 -7.599 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -5.850 3.627 -7.902 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -5.594 4.990 -8.974 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.401 2.325 -7.494 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -4.671 4.384 -11.001 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -1.860 0.972 -8.846 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.134 3.031 -12.355 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.726 1.318 -11.280 1.00 0.00 H new ATOM 384 N GLN A 30 -4.875 7.252 -6.328 1.00 0.00 N ATOM 385 CA GLN A 30 -5.697 8.300 -5.735 1.00 0.00 C ATOM 386 C GLN A 30 -7.081 8.333 -6.376 1.00 0.00 C ATOM 387 O GLN A 30 -8.088 8.500 -5.689 1.00 0.00 O ATOM 388 CB GLN A 30 -5.017 9.661 -5.892 1.00 0.00 C ATOM 389 CG GLN A 30 -3.500 9.594 -5.824 1.00 0.00 C ATOM 390 CD GLN A 30 -2.865 10.952 -5.598 1.00 0.00 C ATOM 391 OE1 GLN A 30 -2.715 11.743 -6.530 1.00 0.00 O ATOM 392 NE2 GLN A 30 -2.490 11.231 -4.355 1.00 0.00 N ATOM 0 H GLN A 30 -3.916 7.533 -6.533 1.00 0.00 H new ATOM 0 HA GLN A 30 -5.813 8.080 -4.674 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -5.311 10.097 -6.847 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -5.378 10.331 -5.112 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -3.206 8.921 -5.019 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -3.117 9.168 -6.751 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -2.633 10.546 -3.613 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -2.059 12.130 -4.142 1.00 0.00 H new ATOM 401 N GLU A 31 -7.121 8.174 -7.695 1.00 0.00 N ATOM 402 CA GLU A 31 -8.382 8.187 -8.427 1.00 0.00 C ATOM 403 C GLU A 31 -9.315 7.089 -7.925 1.00 0.00 C ATOM 404 O GLU A 31 -10.529 7.276 -7.848 1.00 0.00 O ATOM 405 CB GLU A 31 -8.130 8.011 -9.926 1.00 0.00 C ATOM 406 CG GLU A 31 -7.354 6.750 -10.268 1.00 0.00 C ATOM 407 CD GLU A 31 -7.511 6.345 -11.720 1.00 0.00 C ATOM 408 OE1 GLU A 31 -8.602 5.859 -12.085 1.00 0.00 O ATOM 409 OE2 GLU A 31 -6.543 6.512 -12.492 1.00 0.00 O ATOM 0 H GLU A 31 -6.296 8.035 -8.278 1.00 0.00 H new ATOM 0 HA GLU A 31 -8.860 9.152 -8.257 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -9.087 7.991 -10.447 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.582 8.877 -10.298 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -6.298 6.908 -10.051 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -7.693 5.935 -9.629 1.00 0.00 H new ATOM 416 N LYS A 32 -8.738 5.941 -7.584 1.00 0.00 N ATOM 417 CA LYS A 32 -9.515 4.811 -7.088 1.00 0.00 C ATOM 418 C LYS A 32 -9.696 4.897 -5.576 1.00 0.00 C ATOM 419 O LYS A 32 -10.627 4.317 -5.019 1.00 0.00 O ATOM 420 CB LYS A 32 -8.829 3.494 -7.456 1.00 0.00 C ATOM 421 CG LYS A 32 -9.206 2.976 -8.833 1.00 0.00 C ATOM 422 CD LYS A 32 -8.093 2.135 -9.437 1.00 0.00 C ATOM 423 CE LYS A 32 -8.402 1.753 -10.876 1.00 0.00 C ATOM 424 NZ LYS A 32 -9.437 0.686 -10.957 1.00 0.00 N ATOM 0 H LYS A 32 -7.734 5.769 -7.642 1.00 0.00 H new ATOM 0 HA LYS A 32 -10.499 4.845 -7.556 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -7.749 3.632 -7.412 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -9.084 2.740 -6.711 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -10.116 2.380 -8.762 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.426 3.817 -9.491 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -7.155 2.690 -9.400 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -7.953 1.233 -8.842 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -8.745 2.633 -11.420 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -7.490 1.412 -11.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -9.619 0.454 -11.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -9.100 -0.163 -10.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -10.316 1.021 -10.513 1.00 0.00 H new ATOM 438 N LEU A 33 -8.801 5.627 -4.918 1.00 0.00 N ATOM 439 CA LEU A 33 -8.864 5.790 -3.470 1.00 0.00 C ATOM 440 C LEU A 33 -10.018 6.706 -3.075 1.00 0.00 C ATOM 441 O LEU A 33 -10.714 6.457 -2.091 1.00 0.00 O ATOM 442 CB LEU A 33 -7.544 6.357 -2.943 1.00 0.00 C ATOM 443 CG LEU A 33 -7.319 6.184 -1.441 1.00 0.00 C ATOM 444 CD1 LEU A 33 -7.289 4.709 -1.072 1.00 0.00 C ATOM 445 CD2 LEU A 33 -6.029 6.868 -1.013 1.00 0.00 C ATOM 0 H LEU A 33 -8.024 6.115 -5.364 1.00 0.00 H new ATOM 0 HA LEU A 33 -9.034 4.809 -3.026 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.722 5.878 -3.475 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.502 7.420 -3.181 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.149 6.653 -0.913 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.128 4.606 0.001 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -8.238 4.247 -1.343 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.479 4.216 -1.610 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.885 6.735 0.059 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.188 6.428 -1.550 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.088 7.932 -1.242 1.00 0.00 H new ATOM 457 N LYS A 34 -10.215 7.767 -3.850 1.00 0.00 N ATOM 458 CA LYS A 34 -11.285 8.721 -3.583 1.00 0.00 C ATOM 459 C LYS A 34 -12.630 8.011 -3.464 1.00 0.00 C ATOM 460 O LYS A 34 -13.491 8.422 -2.687 1.00 0.00 O ATOM 461 CB LYS A 34 -11.347 9.772 -4.694 1.00 0.00 C ATOM 462 CG LYS A 34 -10.161 10.720 -4.702 1.00 0.00 C ATOM 463 CD LYS A 34 -10.262 11.731 -5.832 1.00 0.00 C ATOM 464 CE LYS A 34 -8.950 12.475 -6.033 1.00 0.00 C ATOM 465 NZ LYS A 34 -8.860 13.081 -7.390 1.00 0.00 N ATOM 0 H LYS A 34 -9.648 7.988 -4.668 1.00 0.00 H new ATOM 0 HA LYS A 34 -11.070 9.215 -2.635 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -11.404 9.266 -5.658 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -12.264 10.351 -4.584 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -10.107 11.244 -3.748 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -9.238 10.149 -4.805 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -10.537 11.221 -6.755 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -11.056 12.445 -5.613 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -8.856 13.257 -5.279 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -8.116 11.788 -5.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -7.952 13.579 -7.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -8.924 12.333 -8.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -9.641 13.755 -7.522 1.00 0.00 H new ATOM 479 N GLN A 35 -12.801 6.944 -4.238 1.00 0.00 N ATOM 480 CA GLN A 35 -14.041 6.178 -4.218 1.00 0.00 C ATOM 481 C GLN A 35 -14.306 5.608 -2.828 1.00 0.00 C ATOM 482 O GLN A 35 -15.408 5.732 -2.295 1.00 0.00 O ATOM 483 CB GLN A 35 -13.982 5.045 -5.244 1.00 0.00 C ATOM 484 CG GLN A 35 -13.637 5.514 -6.648 1.00 0.00 C ATOM 485 CD GLN A 35 -14.867 5.800 -7.487 1.00 0.00 C ATOM 486 OE1 GLN A 35 -15.733 6.582 -7.094 1.00 0.00 O ATOM 487 NE2 GLN A 35 -14.951 5.165 -8.650 1.00 0.00 N ATOM 0 H GLN A 35 -12.097 6.591 -4.886 1.00 0.00 H new ATOM 0 HA GLN A 35 -14.859 6.851 -4.477 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -13.242 4.313 -4.922 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -14.945 4.536 -5.266 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -13.027 6.415 -6.586 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -13.033 4.753 -7.143 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -14.210 4.525 -8.936 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -15.757 5.317 -9.257 1.00 0.00 H new ATOM 496 N GLY A 36 -13.288 4.981 -2.247 1.00 0.00 N ATOM 497 CA GLY A 36 -13.431 4.400 -0.924 1.00 0.00 C ATOM 498 C GLY A 36 -12.232 3.563 -0.526 1.00 0.00 C ATOM 499 O GLY A 36 -11.665 2.847 -1.350 1.00 0.00 O ATOM 0 H GLY A 36 -12.366 4.865 -2.669 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -13.572 5.197 -0.194 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -14.328 3.781 -0.897 1.00 0.00 H new ATOM 503 N ALA A 37 -11.845 3.654 0.742 1.00 0.00 N ATOM 504 CA ALA A 37 -10.706 2.898 1.249 1.00 0.00 C ATOM 505 C ALA A 37 -11.056 1.423 1.415 1.00 0.00 C ATOM 506 O ALA A 37 -10.254 0.639 1.923 1.00 0.00 O ATOM 507 CB ALA A 37 -10.230 3.482 2.571 1.00 0.00 C ATOM 0 H ALA A 37 -12.303 4.244 1.437 1.00 0.00 H new ATOM 0 HA ALA A 37 -9.899 2.973 0.520 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -9.379 2.907 2.937 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -9.931 4.520 2.424 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -11.039 3.438 3.300 1.00 0.00 H new ATOM 513 N SER A 38 -12.257 1.052 0.985 1.00 0.00 N ATOM 514 CA SER A 38 -12.715 -0.328 1.091 1.00 0.00 C ATOM 515 C SER A 38 -12.641 -1.030 -0.261 1.00 0.00 C ATOM 516 O SER A 38 -12.587 -2.258 -0.335 1.00 0.00 O ATOM 517 CB SER A 38 -14.148 -0.373 1.624 1.00 0.00 C ATOM 518 OG SER A 38 -15.041 0.287 0.743 1.00 0.00 O ATOM 0 H SER A 38 -12.931 1.688 0.560 1.00 0.00 H new ATOM 0 HA SER A 38 -12.059 -0.850 1.788 1.00 0.00 H new ATOM 0 HB2 SER A 38 -14.459 -1.410 1.753 1.00 0.00 H new ATOM 0 HB3 SER A 38 -14.189 0.096 2.607 1.00 0.00 H new ATOM 0 HG SER A 38 -15.950 0.243 1.105 1.00 0.00 H new ATOM 524 N LYS A 39 -12.639 -0.242 -1.331 1.00 0.00 N ATOM 525 CA LYS A 39 -12.570 -0.785 -2.682 1.00 0.00 C ATOM 526 C LYS A 39 -11.127 -1.083 -3.076 1.00 0.00 C ATOM 527 O LYS A 39 -10.187 -0.619 -2.429 1.00 0.00 O ATOM 528 CB LYS A 39 -13.190 0.196 -3.680 1.00 0.00 C ATOM 529 CG LYS A 39 -14.671 0.442 -3.451 1.00 0.00 C ATOM 530 CD LYS A 39 -15.398 0.724 -4.755 1.00 0.00 C ATOM 531 CE LYS A 39 -15.383 2.207 -5.092 1.00 0.00 C ATOM 532 NZ LYS A 39 -16.396 2.965 -4.307 1.00 0.00 N ATOM 0 H LYS A 39 -12.684 0.776 -1.288 1.00 0.00 H new ATOM 0 HA LYS A 39 -13.133 -1.718 -2.701 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -12.659 1.146 -3.620 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -13.046 -0.187 -4.690 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -15.115 -0.428 -2.967 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -14.800 1.285 -2.772 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -14.930 0.161 -5.563 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -16.429 0.377 -4.681 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -14.391 2.614 -4.894 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -15.575 2.339 -6.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -16.784 3.733 -4.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -17.164 2.325 -4.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -15.948 3.367 -3.459 1.00 0.00 H new ATOM 546 N LYS A 40 -10.957 -1.858 -4.142 1.00 0.00 N ATOM 547 CA LYS A 40 -9.629 -2.216 -4.625 1.00 0.00 C ATOM 548 C LYS A 40 -8.947 -1.019 -5.280 1.00 0.00 C ATOM 549 O LYS A 40 -9.285 -0.639 -6.402 1.00 0.00 O ATOM 550 CB LYS A 40 -9.721 -3.374 -5.622 1.00 0.00 C ATOM 551 CG LYS A 40 -10.632 -4.499 -5.164 1.00 0.00 C ATOM 552 CD LYS A 40 -9.867 -5.551 -4.379 1.00 0.00 C ATOM 553 CE LYS A 40 -10.730 -6.771 -4.095 1.00 0.00 C ATOM 554 NZ LYS A 40 -10.797 -7.688 -5.266 1.00 0.00 N ATOM 0 H LYS A 40 -11.724 -2.251 -4.688 1.00 0.00 H new ATOM 0 HA LYS A 40 -9.031 -2.529 -3.769 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -10.081 -2.992 -6.577 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -8.722 -3.774 -5.795 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -11.432 -4.092 -4.545 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -11.104 -4.962 -6.031 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -8.982 -5.852 -4.939 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.519 -5.123 -3.439 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -10.328 -7.308 -3.236 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -11.737 -6.449 -3.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -11.394 -8.507 -5.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -11.204 -7.183 -6.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -9.839 -8.015 -5.506 1.00 0.00 H new ATOM 568 N CYS A 41 -7.987 -0.432 -4.575 1.00 0.00 N ATOM 569 CA CYS A 41 -7.258 0.722 -5.089 1.00 0.00 C ATOM 570 C CYS A 41 -5.775 0.401 -5.248 1.00 0.00 C ATOM 571 O CYS A 41 -5.073 1.036 -6.035 1.00 0.00 O ATOM 572 CB CYS A 41 -7.436 1.921 -4.157 1.00 0.00 C ATOM 573 SG CYS A 41 -7.162 1.545 -2.410 1.00 0.00 S ATOM 0 H CYS A 41 -7.695 -0.736 -3.646 1.00 0.00 H new ATOM 0 HA CYS A 41 -7.665 0.971 -6.069 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -6.747 2.709 -4.460 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -8.445 2.316 -4.279 1.00 0.00 H new ATOM 0 HG CYS A 41 -8.159 1.996 -1.708 1.00 0.00 H new ATOM 579 N ILE A 42 -5.305 -0.587 -4.493 1.00 0.00 N ATOM 580 CA ILE A 42 -3.906 -0.991 -4.550 1.00 0.00 C ATOM 581 C ILE A 42 -3.692 -2.090 -5.585 1.00 0.00 C ATOM 582 O ILE A 42 -4.229 -3.189 -5.456 1.00 0.00 O ATOM 583 CB ILE A 42 -3.407 -1.488 -3.180 1.00 0.00 C ATOM 584 CG1 ILE A 42 -3.512 -0.372 -2.139 1.00 0.00 C ATOM 585 CG2 ILE A 42 -1.974 -1.988 -3.287 1.00 0.00 C ATOM 586 CD1 ILE A 42 -3.526 -0.876 -0.712 1.00 0.00 C ATOM 0 H ILE A 42 -5.872 -1.122 -3.835 1.00 0.00 H new ATOM 0 HA ILE A 42 -3.335 -0.108 -4.838 1.00 0.00 H new ATOM 0 HB ILE A 42 -4.037 -2.318 -2.860 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -2.673 0.312 -2.266 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -4.421 0.201 -2.322 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.636 -2.336 -2.311 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -1.928 -2.810 -4.001 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -1.330 -1.177 -3.626 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -3.602 -0.031 -0.028 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -4.380 -1.537 -0.568 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -2.605 -1.424 -0.511 1.00 0.00 H new ATOM 598 N GLN A 43 -2.903 -1.784 -6.610 1.00 0.00 N ATOM 599 CA GLN A 43 -2.618 -2.747 -7.668 1.00 0.00 C ATOM 600 C GLN A 43 -1.290 -3.453 -7.417 1.00 0.00 C ATOM 601 O GLN A 43 -0.236 -2.819 -7.379 1.00 0.00 O ATOM 602 CB GLN A 43 -2.589 -2.048 -9.028 1.00 0.00 C ATOM 603 CG GLN A 43 -2.715 -3.002 -10.205 1.00 0.00 C ATOM 604 CD GLN A 43 -2.592 -2.299 -11.542 1.00 0.00 C ATOM 605 OE1 GLN A 43 -1.698 -1.477 -11.744 1.00 0.00 O ATOM 606 NE2 GLN A 43 -3.491 -2.619 -12.465 1.00 0.00 N ATOM 0 H GLN A 43 -2.450 -0.878 -6.730 1.00 0.00 H new ATOM 0 HA GLN A 43 -3.411 -3.494 -7.669 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -3.401 -1.322 -9.071 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -1.657 -1.491 -9.121 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -1.944 -3.769 -10.130 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -3.677 -3.511 -10.154 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -4.215 -3.306 -12.255 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -3.457 -2.178 -13.384 1.00 0.00 H new ATOM 615 N ASN A 44 -1.349 -4.770 -7.245 1.00 0.00 N ATOM 616 CA ASN A 44 -0.150 -5.562 -6.996 1.00 0.00 C ATOM 617 C ASN A 44 0.674 -5.716 -8.271 1.00 0.00 C ATOM 618 O ASN A 44 0.261 -5.280 -9.345 1.00 0.00 O ATOM 619 CB ASN A 44 -0.529 -6.941 -6.451 1.00 0.00 C ATOM 620 CG ASN A 44 -1.104 -7.848 -7.522 1.00 0.00 C ATOM 621 OD1 ASN A 44 -1.237 -7.453 -8.680 1.00 0.00 O ATOM 622 ND2 ASN A 44 -1.449 -9.072 -7.138 1.00 0.00 N ATOM 0 H ASN A 44 -2.214 -5.311 -7.273 1.00 0.00 H new ATOM 0 HA ASN A 44 0.454 -5.039 -6.255 1.00 0.00 H new ATOM 0 HB2 ASN A 44 0.353 -7.411 -6.015 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -1.257 -6.824 -5.648 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -1.842 -9.727 -7.814 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -1.321 -9.357 -6.167 1.00 0.00 H new ATOM 629 N GLU A 45 1.841 -6.339 -8.142 1.00 0.00 N ATOM 630 CA GLU A 45 2.723 -6.550 -9.284 1.00 0.00 C ATOM 631 C GLU A 45 2.031 -7.380 -10.361 1.00 0.00 C ATOM 632 O GLU A 45 2.387 -7.312 -11.537 1.00 0.00 O ATOM 633 CB GLU A 45 4.012 -7.245 -8.840 1.00 0.00 C ATOM 634 CG GLU A 45 4.749 -6.511 -7.732 1.00 0.00 C ATOM 635 CD GLU A 45 5.751 -5.506 -8.265 1.00 0.00 C ATOM 636 OE1 GLU A 45 6.674 -5.920 -8.997 1.00 0.00 O ATOM 637 OE2 GLU A 45 5.614 -4.305 -7.949 1.00 0.00 O ATOM 0 H GLU A 45 2.197 -6.706 -7.260 1.00 0.00 H new ATOM 0 HA GLU A 45 2.970 -5.575 -9.704 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.773 -8.253 -8.500 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.674 -7.347 -9.700 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.026 -5.997 -7.098 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.266 -7.235 -7.103 1.00 0.00 H new ATOM 644 N ALA A 46 1.040 -8.164 -9.949 1.00 0.00 N ATOM 645 CA ALA A 46 0.296 -9.006 -10.878 1.00 0.00 C ATOM 646 C ALA A 46 -0.865 -8.240 -11.504 1.00 0.00 C ATOM 647 O ALA A 46 -1.678 -8.811 -12.230 1.00 0.00 O ATOM 648 CB ALA A 46 -0.213 -10.252 -10.169 1.00 0.00 C ATOM 0 H ALA A 46 0.734 -8.234 -8.978 1.00 0.00 H new ATOM 0 HA ALA A 46 0.972 -9.307 -11.678 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -0.767 -10.871 -10.875 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.632 -10.817 -9.775 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -0.869 -9.961 -9.349 1.00 0.00 H new ATOM 654 N GLY A 47 -0.937 -6.944 -11.217 1.00 0.00 N ATOM 655 CA GLY A 47 -2.002 -6.122 -11.760 1.00 0.00 C ATOM 656 C GLY A 47 -3.303 -6.283 -10.999 1.00 0.00 C ATOM 657 O GLY A 47 -4.213 -5.464 -11.131 1.00 0.00 O ATOM 0 H GLY A 47 -0.277 -6.449 -10.618 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.698 -5.076 -11.736 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.162 -6.384 -12.806 1.00 0.00 H new ATOM 661 N ASP A 48 -3.393 -7.342 -10.201 1.00 0.00 N ATOM 662 CA ASP A 48 -4.593 -7.608 -9.417 1.00 0.00 C ATOM 663 C ASP A 48 -4.761 -6.570 -8.311 1.00 0.00 C ATOM 664 O ASP A 48 -3.922 -6.460 -7.418 1.00 0.00 O ATOM 665 CB ASP A 48 -4.531 -9.011 -8.811 1.00 0.00 C ATOM 666 CG ASP A 48 -4.493 -10.097 -9.868 1.00 0.00 C ATOM 667 OD1 ASP A 48 -5.488 -10.239 -10.609 1.00 0.00 O ATOM 668 OD2 ASP A 48 -3.468 -10.806 -9.955 1.00 0.00 O ATOM 0 H ASP A 48 -2.649 -8.030 -10.080 1.00 0.00 H new ATOM 0 HA ASP A 48 -5.454 -7.546 -10.083 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.647 -9.092 -8.179 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -5.397 -9.164 -8.168 1.00 0.00 H new ATOM 673 N TRP A 49 -5.850 -5.812 -8.379 1.00 0.00 N ATOM 674 CA TRP A 49 -6.127 -4.782 -7.384 1.00 0.00 C ATOM 675 C TRP A 49 -6.519 -5.406 -6.050 1.00 0.00 C ATOM 676 O TRP A 49 -7.020 -6.530 -6.002 1.00 0.00 O ATOM 677 CB TRP A 49 -7.240 -3.856 -7.876 1.00 0.00 C ATOM 678 CG TRP A 49 -6.911 -3.162 -9.162 1.00 0.00 C ATOM 679 CD1 TRP A 49 -6.998 -3.684 -10.421 1.00 0.00 C ATOM 680 CD2 TRP A 49 -6.439 -1.818 -9.315 1.00 0.00 C ATOM 681 NE1 TRP A 49 -6.609 -2.746 -11.347 1.00 0.00 N ATOM 682 CE2 TRP A 49 -6.263 -1.593 -10.694 1.00 0.00 C ATOM 683 CE3 TRP A 49 -6.151 -0.784 -8.421 1.00 0.00 C ATOM 684 CZ2 TRP A 49 -5.810 -0.376 -11.197 1.00 0.00 C ATOM 685 CZ3 TRP A 49 -5.701 0.423 -8.922 1.00 0.00 C ATOM 686 CH2 TRP A 49 -5.535 0.619 -10.300 1.00 0.00 C ATOM 0 H TRP A 49 -6.555 -5.891 -9.112 1.00 0.00 H new ATOM 0 HA TRP A 49 -5.218 -4.199 -7.237 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -8.153 -4.436 -8.008 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -7.445 -3.108 -7.110 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -7.325 -4.687 -10.655 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -6.582 -2.886 -12.357 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -6.278 -0.925 -7.358 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -5.680 -0.223 -12.258 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -5.473 1.229 -8.240 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -5.183 1.574 -10.660 1.00 0.00 H new ATOM 697 N LEU A 50 -6.290 -4.671 -4.967 1.00 0.00 N ATOM 698 CA LEU A 50 -6.620 -5.153 -3.631 1.00 0.00 C ATOM 699 C LEU A 50 -7.109 -4.011 -2.746 1.00 0.00 C ATOM 700 O LEU A 50 -6.612 -2.887 -2.830 1.00 0.00 O ATOM 701 CB LEU A 50 -5.402 -5.824 -2.992 1.00 0.00 C ATOM 702 CG LEU A 50 -4.827 -7.003 -3.777 1.00 0.00 C ATOM 703 CD1 LEU A 50 -3.330 -7.124 -3.539 1.00 0.00 C ATOM 704 CD2 LEU A 50 -5.536 -8.293 -3.395 1.00 0.00 C ATOM 0 H LEU A 50 -5.877 -3.739 -4.988 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.422 -5.885 -3.724 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.620 -5.076 -2.864 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -5.678 -6.170 -1.996 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.991 -6.822 -4.839 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.939 -7.969 -4.106 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.835 -6.209 -3.863 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.142 -7.282 -2.477 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -5.114 -9.122 -3.963 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.404 -8.479 -2.329 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -6.599 -8.204 -3.618 1.00 0.00 H new ATOM 716 N THR A 51 -8.088 -4.306 -1.896 1.00 0.00 N ATOM 717 CA THR A 51 -8.646 -3.305 -0.996 1.00 0.00 C ATOM 718 C THR A 51 -7.632 -2.894 0.067 1.00 0.00 C ATOM 719 O THR A 51 -6.803 -3.699 0.491 1.00 0.00 O ATOM 720 CB THR A 51 -9.920 -3.821 -0.301 1.00 0.00 C ATOM 721 OG1 THR A 51 -9.612 -4.970 0.496 1.00 0.00 O ATOM 722 CG2 THR A 51 -10.987 -4.180 -1.325 1.00 0.00 C ATOM 0 H THR A 51 -8.511 -5.231 -1.812 1.00 0.00 H new ATOM 0 HA THR A 51 -8.900 -2.439 -1.607 1.00 0.00 H new ATOM 0 HB THR A 51 -10.305 -3.027 0.339 1.00 0.00 H new ATOM 0 HG1 THR A 51 -10.427 -5.291 0.936 1.00 0.00 H new ATOM 0 HG21 THR A 51 -11.877 -4.542 -0.811 1.00 0.00 H new ATOM 0 HG22 THR A 51 -11.240 -3.297 -1.911 1.00 0.00 H new ATOM 0 HG23 THR A 51 -10.609 -4.959 -1.987 1.00 0.00 H new ATOM 730 N VAL A 52 -7.705 -1.638 0.494 1.00 0.00 N ATOM 731 CA VAL A 52 -6.795 -1.121 1.509 1.00 0.00 C ATOM 732 C VAL A 52 -6.531 -2.162 2.591 1.00 0.00 C ATOM 733 O VAL A 52 -5.490 -2.141 3.248 1.00 0.00 O ATOM 734 CB VAL A 52 -7.352 0.156 2.165 1.00 0.00 C ATOM 735 CG1 VAL A 52 -6.410 0.653 3.250 1.00 0.00 C ATOM 736 CG2 VAL A 52 -7.588 1.233 1.117 1.00 0.00 C ATOM 0 H VAL A 52 -8.385 -0.959 0.153 1.00 0.00 H new ATOM 0 HA VAL A 52 -5.860 -0.881 1.003 1.00 0.00 H new ATOM 0 HB VAL A 52 -8.309 -0.082 2.630 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -6.820 1.556 3.702 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.297 -0.116 4.014 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.437 0.876 2.813 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -7.982 2.129 1.598 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -6.647 1.471 0.622 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -8.305 0.872 0.380 1.00 0.00 H new ATOM 746 N LYS A 53 -7.481 -3.073 2.772 1.00 0.00 N ATOM 747 CA LYS A 53 -7.352 -4.125 3.773 1.00 0.00 C ATOM 748 C LYS A 53 -6.693 -5.365 3.178 1.00 0.00 C ATOM 749 O LYS A 53 -5.717 -5.881 3.722 1.00 0.00 O ATOM 750 CB LYS A 53 -8.726 -4.487 4.342 1.00 0.00 C ATOM 751 CG LYS A 53 -8.669 -5.510 5.463 1.00 0.00 C ATOM 752 CD LYS A 53 -8.765 -6.929 4.928 1.00 0.00 C ATOM 753 CE LYS A 53 -10.208 -7.331 4.666 1.00 0.00 C ATOM 754 NZ LYS A 53 -10.663 -6.913 3.311 1.00 0.00 N ATOM 0 H LYS A 53 -8.349 -3.104 2.238 1.00 0.00 H new ATOM 0 HA LYS A 53 -6.719 -3.751 4.578 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -9.207 -3.581 4.712 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -9.352 -4.875 3.539 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -7.738 -5.392 6.018 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -9.484 -5.329 6.164 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -8.191 -7.010 4.005 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -8.318 -7.619 5.643 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -10.308 -8.412 4.765 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -10.853 -6.881 5.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -11.330 -7.618 2.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -11.135 -5.988 3.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -9.842 -6.841 2.676 1.00 0.00 H new ATOM 768 N GLU A 54 -7.232 -5.837 2.058 1.00 0.00 N ATOM 769 CA GLU A 54 -6.695 -7.016 1.390 1.00 0.00 C ATOM 770 C GLU A 54 -5.178 -6.920 1.254 1.00 0.00 C ATOM 771 O GLU A 54 -4.450 -7.836 1.637 1.00 0.00 O ATOM 772 CB GLU A 54 -7.333 -7.182 0.009 1.00 0.00 C ATOM 773 CG GLU A 54 -8.651 -7.937 0.035 1.00 0.00 C ATOM 774 CD GLU A 54 -8.965 -8.608 -1.288 1.00 0.00 C ATOM 775 OE1 GLU A 54 -8.397 -8.187 -2.317 1.00 0.00 O ATOM 776 OE2 GLU A 54 -9.779 -9.555 -1.294 1.00 0.00 O ATOM 0 H GLU A 54 -8.040 -5.421 1.595 1.00 0.00 H new ATOM 0 HA GLU A 54 -6.933 -7.888 1.999 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.497 -6.197 -0.427 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.636 -7.707 -0.643 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -8.618 -8.691 0.822 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.456 -7.247 0.288 1.00 0.00 H new ATOM 783 N PHE A 55 -4.709 -5.805 0.704 1.00 0.00 N ATOM 784 CA PHE A 55 -3.279 -5.589 0.515 1.00 0.00 C ATOM 785 C PHE A 55 -2.502 -5.951 1.778 1.00 0.00 C ATOM 786 O PHE A 55 -1.464 -6.608 1.715 1.00 0.00 O ATOM 787 CB PHE A 55 -3.007 -4.132 0.135 1.00 0.00 C ATOM 788 CG PHE A 55 -1.574 -3.863 -0.223 1.00 0.00 C ATOM 789 CD1 PHE A 55 -0.948 -4.588 -1.224 1.00 0.00 C ATOM 790 CD2 PHE A 55 -0.852 -2.885 0.443 1.00 0.00 C ATOM 791 CE1 PHE A 55 0.371 -4.342 -1.556 1.00 0.00 C ATOM 792 CE2 PHE A 55 0.467 -2.635 0.115 1.00 0.00 C ATOM 793 CZ PHE A 55 1.080 -3.365 -0.885 1.00 0.00 C ATOM 0 H PHE A 55 -5.298 -5.037 0.381 1.00 0.00 H new ATOM 0 HA PHE A 55 -2.943 -6.237 -0.295 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -3.641 -3.861 -0.709 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -3.292 -3.489 0.967 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -1.497 -5.354 -1.751 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -1.325 -2.312 1.227 1.00 0.00 H new ATOM 0 HE1 PHE A 55 0.847 -4.913 -2.339 1.00 0.00 H new ATOM 0 HE2 PHE A 55 1.018 -1.869 0.640 1.00 0.00 H new ATOM 0 HZ PHE A 55 2.111 -3.172 -1.141 1.00 0.00 H new ATOM 803 N LEU A 56 -3.014 -5.515 2.924 1.00 0.00 N ATOM 804 CA LEU A 56 -2.369 -5.791 4.203 1.00 0.00 C ATOM 805 C LEU A 56 -2.291 -7.293 4.460 1.00 0.00 C ATOM 806 O LEU A 56 -1.216 -7.835 4.709 1.00 0.00 O ATOM 807 CB LEU A 56 -3.130 -5.106 5.340 1.00 0.00 C ATOM 808 CG LEU A 56 -3.639 -3.699 5.022 1.00 0.00 C ATOM 809 CD1 LEU A 56 -4.284 -3.074 6.249 1.00 0.00 C ATOM 810 CD2 LEU A 56 -2.503 -2.825 4.512 1.00 0.00 C ATOM 0 H LEU A 56 -3.873 -4.969 2.994 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.355 -5.394 4.163 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.980 -5.730 5.616 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -2.478 -5.052 6.212 1.00 0.00 H new ATOM 0 HG LEU A 56 -4.394 -3.775 4.239 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -4.640 -2.073 6.003 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.124 -3.689 6.571 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -3.551 -3.011 7.053 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.883 -1.828 4.291 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.726 -2.757 5.274 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.085 -3.264 3.606 1.00 0.00 H new ATOM 822 N ASN A 57 -3.440 -7.958 4.399 1.00 0.00 N ATOM 823 CA ASN A 57 -3.503 -9.397 4.626 1.00 0.00 C ATOM 824 C ASN A 57 -2.426 -10.122 3.824 1.00 0.00 C ATOM 825 O ASN A 57 -1.813 -11.072 4.308 1.00 0.00 O ATOM 826 CB ASN A 57 -4.885 -9.934 4.247 1.00 0.00 C ATOM 827 CG ASN A 57 -5.871 -9.854 5.396 1.00 0.00 C ATOM 828 OD1 ASN A 57 -6.345 -10.875 5.895 1.00 0.00 O ATOM 829 ND2 ASN A 57 -6.185 -8.636 5.823 1.00 0.00 N ATOM 0 H ASN A 57 -4.340 -7.523 4.194 1.00 0.00 H new ATOM 0 HA ASN A 57 -3.327 -9.581 5.686 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -5.272 -9.368 3.400 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -4.793 -10.970 3.922 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -6.843 -8.520 6.594 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -5.768 -7.817 5.380 1.00 0.00 H new ATOM 836 N GLU A 58 -2.203 -9.665 2.596 1.00 0.00 N ATOM 837 CA GLU A 58 -1.200 -10.270 1.727 1.00 0.00 C ATOM 838 C GLU A 58 0.168 -10.284 2.403 1.00 0.00 C ATOM 839 O GLU A 58 0.924 -11.247 2.280 1.00 0.00 O ATOM 840 CB GLU A 58 -1.118 -9.513 0.400 1.00 0.00 C ATOM 841 CG GLU A 58 -2.056 -10.051 -0.667 1.00 0.00 C ATOM 842 CD GLU A 58 -1.822 -11.520 -0.963 1.00 0.00 C ATOM 843 OE1 GLU A 58 -0.701 -12.005 -0.701 1.00 0.00 O ATOM 844 OE2 GLU A 58 -2.757 -12.183 -1.457 1.00 0.00 O ATOM 0 H GLU A 58 -2.703 -8.879 2.181 1.00 0.00 H new ATOM 0 HA GLU A 58 -1.500 -11.299 1.531 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -1.347 -8.462 0.576 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -0.094 -9.558 0.028 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.087 -9.909 -0.344 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -1.927 -9.475 -1.583 1.00 0.00 H new ATOM 851 N GLY A 59 0.480 -9.206 3.117 1.00 0.00 N ATOM 852 CA GLY A 59 1.757 -9.114 3.800 1.00 0.00 C ATOM 853 C GLY A 59 1.721 -9.736 5.182 1.00 0.00 C ATOM 854 O GLY A 59 2.697 -10.341 5.624 1.00 0.00 O ATOM 0 H GLY A 59 -0.128 -8.396 3.234 1.00 0.00 H new ATOM 0 HA2 GLY A 59 2.522 -9.609 3.202 1.00 0.00 H new ATOM 0 HA3 GLY A 59 2.046 -8.066 3.884 1.00 0.00 H new ATOM 858 N GLY A 60 0.591 -9.586 5.868 1.00 0.00 N ATOM 859 CA GLY A 60 0.454 -10.142 7.201 1.00 0.00 C ATOM 860 C GLY A 60 0.283 -9.072 8.261 1.00 0.00 C ATOM 861 O GLY A 60 0.774 -9.214 9.381 1.00 0.00 O ATOM 0 H GLY A 60 -0.231 -9.090 5.524 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -0.405 -10.813 7.225 1.00 0.00 H new ATOM 0 HA3 GLY A 60 1.334 -10.742 7.433 1.00 0.00 H new ATOM 865 N ARG A 61 -0.413 -7.996 7.907 1.00 0.00 N ATOM 866 CA ARG A 61 -0.644 -6.896 8.835 1.00 0.00 C ATOM 867 C ARG A 61 -2.135 -6.716 9.104 1.00 0.00 C ATOM 868 O ARG A 61 -2.557 -5.708 9.670 1.00 0.00 O ATOM 869 CB ARG A 61 -0.055 -5.599 8.278 1.00 0.00 C ATOM 870 CG ARG A 61 1.431 -5.436 8.555 1.00 0.00 C ATOM 871 CD ARG A 61 1.694 -5.126 10.020 1.00 0.00 C ATOM 872 NE ARG A 61 3.053 -4.640 10.242 1.00 0.00 N ATOM 873 CZ ARG A 61 4.100 -5.440 10.414 1.00 0.00 C ATOM 874 NH1 ARG A 61 3.945 -6.756 10.390 1.00 0.00 N ATOM 875 NH2 ARG A 61 5.306 -4.922 10.610 1.00 0.00 N ATOM 0 H ARG A 61 -0.827 -7.863 6.984 1.00 0.00 H new ATOM 0 HA ARG A 61 -0.149 -7.137 9.776 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -0.221 -5.568 7.201 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.591 -4.753 8.708 1.00 0.00 H new ATOM 0 HG2 ARG A 61 1.957 -6.349 8.275 1.00 0.00 H new ATOM 0 HG3 ARG A 61 1.832 -4.634 7.935 1.00 0.00 H new ATOM 0 HD2 ARG A 61 0.981 -4.378 10.366 1.00 0.00 H new ATOM 0 HD3 ARG A 61 1.528 -6.024 10.616 1.00 0.00 H new ATOM 0 HE ARG A 61 3.207 -3.632 10.266 1.00 0.00 H new ATOM 0 HH11 ARG A 61 3.020 -7.158 10.239 1.00 0.00 H new ATOM 0 HH12 ARG A 61 4.751 -7.367 10.522 1.00 0.00 H new ATOM 0 HH21 ARG A 61 5.429 -3.910 10.629 1.00 0.00 H new ATOM 0 HH22 ARG A 61 6.110 -5.536 10.742 1.00 0.00 H new ATOM 889 N ALA A 62 -2.928 -7.700 8.693 1.00 0.00 N ATOM 890 CA ALA A 62 -4.372 -7.651 8.890 1.00 0.00 C ATOM 891 C ALA A 62 -4.716 -7.259 10.323 1.00 0.00 C ATOM 892 O ALA A 62 -5.671 -6.519 10.563 1.00 0.00 O ATOM 893 CB ALA A 62 -4.998 -8.993 8.544 1.00 0.00 C ATOM 0 H ALA A 62 -2.595 -8.541 8.221 1.00 0.00 H new ATOM 0 HA ALA A 62 -4.779 -6.890 8.224 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.076 -8.942 8.696 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -4.789 -9.234 7.502 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -4.578 -9.767 9.186 1.00 0.00 H new ATOM 899 N THR A 63 -3.934 -7.759 11.274 1.00 0.00 N ATOM 900 CA THR A 63 -4.157 -7.463 12.683 1.00 0.00 C ATOM 901 C THR A 63 -4.175 -5.959 12.933 1.00 0.00 C ATOM 902 O THR A 63 -4.990 -5.458 13.707 1.00 0.00 O ATOM 903 CB THR A 63 -3.076 -8.106 13.571 1.00 0.00 C ATOM 904 OG1 THR A 63 -1.774 -7.799 13.059 1.00 0.00 O ATOM 905 CG2 THR A 63 -3.257 -9.615 13.637 1.00 0.00 C ATOM 0 H THR A 63 -3.139 -8.372 11.093 1.00 0.00 H new ATOM 0 HA THR A 63 -5.128 -7.884 12.944 1.00 0.00 H new ATOM 0 HB THR A 63 -3.175 -7.699 14.577 1.00 0.00 H new ATOM 0 HG1 THR A 63 -1.092 -8.210 13.631 1.00 0.00 H new ATOM 0 HG21 THR A 63 -2.482 -10.047 14.270 1.00 0.00 H new ATOM 0 HG22 THR A 63 -4.237 -9.846 14.055 1.00 0.00 H new ATOM 0 HG23 THR A 63 -3.182 -10.035 12.634 1.00 0.00 H new ATOM 913 N SER A 64 -3.271 -5.244 12.271 1.00 0.00 N ATOM 914 CA SER A 64 -3.181 -3.796 12.424 1.00 0.00 C ATOM 915 C SER A 64 -4.432 -3.114 11.878 1.00 0.00 C ATOM 916 O SER A 64 -5.051 -3.593 10.929 1.00 0.00 O ATOM 917 CB SER A 64 -1.940 -3.263 11.705 1.00 0.00 C ATOM 918 OG SER A 64 -0.777 -3.442 12.495 1.00 0.00 O ATOM 0 H SER A 64 -2.591 -5.643 11.624 1.00 0.00 H new ATOM 0 HA SER A 64 -3.101 -3.571 13.488 1.00 0.00 H new ATOM 0 HB2 SER A 64 -1.819 -3.778 10.752 1.00 0.00 H new ATOM 0 HB3 SER A 64 -2.072 -2.204 11.481 1.00 0.00 H new ATOM 0 HG SER A 64 0.003 -3.095 12.013 1.00 0.00 H new ATOM 924 N LYS A 65 -4.798 -1.990 12.486 1.00 0.00 N ATOM 925 CA LYS A 65 -5.973 -1.239 12.063 1.00 0.00 C ATOM 926 C LYS A 65 -5.596 -0.167 11.045 1.00 0.00 C ATOM 927 O LYS A 65 -6.149 -0.121 9.946 1.00 0.00 O ATOM 928 CB LYS A 65 -6.653 -0.592 13.272 1.00 0.00 C ATOM 929 CG LYS A 65 -5.760 0.380 14.024 1.00 0.00 C ATOM 930 CD LYS A 65 -6.229 0.574 15.456 1.00 0.00 C ATOM 931 CE LYS A 65 -7.319 1.630 15.547 1.00 0.00 C ATOM 932 NZ LYS A 65 -7.732 1.881 16.956 1.00 0.00 N ATOM 0 H LYS A 65 -4.297 -1.580 13.274 1.00 0.00 H new ATOM 0 HA LYS A 65 -6.668 -1.935 11.592 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -7.547 -0.066 12.937 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -6.981 -1.375 13.956 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -4.735 0.009 14.023 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -5.752 1.341 13.509 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -6.603 -0.371 15.849 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -5.385 0.866 16.080 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -6.963 2.559 15.102 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -8.184 1.310 14.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -8.476 2.607 16.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -8.096 1.001 17.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -6.912 2.211 17.504 1.00 0.00 H new ATOM 946 N ASP A 66 -4.652 0.690 11.416 1.00 0.00 N ATOM 947 CA ASP A 66 -4.199 1.759 10.534 1.00 0.00 C ATOM 948 C ASP A 66 -3.409 1.195 9.357 1.00 0.00 C ATOM 949 O ASP A 66 -2.300 0.688 9.528 1.00 0.00 O ATOM 950 CB ASP A 66 -3.340 2.759 11.309 1.00 0.00 C ATOM 951 CG ASP A 66 -3.901 3.061 12.685 1.00 0.00 C ATOM 952 OD1 ASP A 66 -4.728 3.990 12.797 1.00 0.00 O ATOM 953 OD2 ASP A 66 -3.513 2.368 13.648 1.00 0.00 O ATOM 0 H ASP A 66 -4.185 0.665 12.322 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.078 2.272 10.145 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -2.330 2.363 11.411 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.264 3.685 10.740 1.00 0.00 H new ATOM 958 N TRP A 67 -3.988 1.285 8.166 1.00 0.00 N ATOM 959 CA TRP A 67 -3.338 0.782 6.961 1.00 0.00 C ATOM 960 C TRP A 67 -2.220 1.717 6.515 1.00 0.00 C ATOM 961 O TRP A 67 -1.213 1.277 5.958 1.00 0.00 O ATOM 962 CB TRP A 67 -4.361 0.617 5.835 1.00 0.00 C ATOM 963 CG TRP A 67 -5.161 1.858 5.574 1.00 0.00 C ATOM 964 CD1 TRP A 67 -6.277 2.270 6.244 1.00 0.00 C ATOM 965 CD2 TRP A 67 -4.906 2.846 4.569 1.00 0.00 C ATOM 966 NE1 TRP A 67 -6.732 3.454 5.716 1.00 0.00 N ATOM 967 CE2 TRP A 67 -5.907 3.829 4.688 1.00 0.00 C ATOM 968 CE3 TRP A 67 -3.928 2.997 3.582 1.00 0.00 C ATOM 969 CZ2 TRP A 67 -5.958 4.945 3.857 1.00 0.00 C ATOM 970 CZ3 TRP A 67 -3.980 4.104 2.757 1.00 0.00 C ATOM 971 CH2 TRP A 67 -4.988 5.067 2.899 1.00 0.00 C ATOM 0 H TRP A 67 -4.906 1.701 8.008 1.00 0.00 H new ATOM 0 HA TRP A 67 -2.903 -0.190 7.192 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -3.842 0.329 4.921 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -5.040 -0.198 6.086 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -6.735 1.743 7.068 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -7.551 3.970 6.037 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -3.146 2.262 3.466 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -6.735 5.688 3.964 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -3.231 4.229 1.989 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -5.000 5.922 2.240 1.00 0.00 H new ATOM 982 N LYS A 68 -2.401 3.010 6.763 1.00 0.00 N ATOM 983 CA LYS A 68 -1.406 4.008 6.389 1.00 0.00 C ATOM 984 C LYS A 68 -0.117 3.815 7.182 1.00 0.00 C ATOM 985 O LYS A 68 0.948 4.277 6.775 1.00 0.00 O ATOM 986 CB LYS A 68 -1.955 5.417 6.622 1.00 0.00 C ATOM 987 CG LYS A 68 -3.206 5.724 5.817 1.00 0.00 C ATOM 988 CD LYS A 68 -3.878 7.000 6.295 1.00 0.00 C ATOM 989 CE LYS A 68 -5.311 7.096 5.794 1.00 0.00 C ATOM 990 NZ LYS A 68 -6.037 8.243 6.407 1.00 0.00 N ATOM 0 H LYS A 68 -3.228 3.391 7.222 1.00 0.00 H new ATOM 0 HA LYS A 68 -1.182 3.883 5.330 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -2.176 5.541 7.682 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -1.183 6.145 6.370 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -2.947 5.821 4.763 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -3.905 4.891 5.898 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -3.869 7.031 7.385 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -3.311 7.864 5.947 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -5.310 7.205 4.709 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -5.838 6.169 6.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -7.010 8.274 6.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -6.060 8.127 7.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -5.549 9.130 6.169 1.00 0.00 H new ATOM 1004 N GLY A 69 -0.222 3.128 8.315 1.00 0.00 N ATOM 1005 CA GLY A 69 0.944 2.886 9.146 1.00 0.00 C ATOM 1006 C GLY A 69 1.720 1.659 8.712 1.00 0.00 C ATOM 1007 O GLY A 69 2.946 1.696 8.605 1.00 0.00 O ATOM 0 H GLY A 69 -1.093 2.735 8.673 1.00 0.00 H new ATOM 0 HA2 GLY A 69 1.598 3.757 9.111 1.00 0.00 H new ATOM 0 HA3 GLY A 69 0.629 2.765 10.182 1.00 0.00 H new ATOM 1011 N VAL A 70 1.005 0.566 8.461 1.00 0.00 N ATOM 1012 CA VAL A 70 1.634 -0.679 8.037 1.00 0.00 C ATOM 1013 C VAL A 70 2.196 -0.557 6.625 1.00 0.00 C ATOM 1014 O VAL A 70 3.186 -1.204 6.282 1.00 0.00 O ATOM 1015 CB VAL A 70 0.640 -1.854 8.082 1.00 0.00 C ATOM 1016 CG1 VAL A 70 0.131 -2.069 9.500 1.00 0.00 C ATOM 1017 CG2 VAL A 70 -0.515 -1.612 7.123 1.00 0.00 C ATOM 0 H VAL A 70 -0.010 0.518 8.544 1.00 0.00 H new ATOM 0 HA VAL A 70 2.449 -0.875 8.734 1.00 0.00 H new ATOM 0 HB VAL A 70 1.160 -2.759 7.767 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.570 -2.903 9.512 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.971 -2.291 10.158 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.373 -1.167 9.847 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.208 -2.453 7.168 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.036 -0.697 7.405 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.130 -1.513 6.108 1.00 0.00 H new ATOM 1027 N ILE A 71 1.558 0.276 5.810 1.00 0.00 N ATOM 1028 CA ILE A 71 1.996 0.484 4.435 1.00 0.00 C ATOM 1029 C ILE A 71 3.072 1.562 4.358 1.00 0.00 C ATOM 1030 O ILE A 71 2.885 2.677 4.845 1.00 0.00 O ATOM 1031 CB ILE A 71 0.820 0.883 3.525 1.00 0.00 C ATOM 1032 CG1 ILE A 71 -0.247 -0.214 3.523 1.00 0.00 C ATOM 1033 CG2 ILE A 71 1.313 1.153 2.111 1.00 0.00 C ATOM 1034 CD1 ILE A 71 -1.517 0.180 2.802 1.00 0.00 C ATOM 0 H ILE A 71 0.736 0.818 6.078 1.00 0.00 H new ATOM 0 HA ILE A 71 2.409 -0.463 4.088 1.00 0.00 H new ATOM 0 HB ILE A 71 0.373 1.798 3.914 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.164 -1.109 3.055 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.490 -0.476 4.553 1.00 0.00 H new ATOM 0 HG21 ILE A 71 0.470 1.434 1.479 1.00 0.00 H new ATOM 0 HG22 ILE A 71 2.040 1.965 2.128 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.782 0.254 1.711 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -2.228 -0.645 2.840 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -1.952 1.056 3.283 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.288 0.413 1.762 1.00 0.00 H new ATOM 1046 N ARG A 72 4.199 1.221 3.742 1.00 0.00 N ATOM 1047 CA ARG A 72 5.306 2.160 3.600 1.00 0.00 C ATOM 1048 C ARG A 72 5.557 2.486 2.130 1.00 0.00 C ATOM 1049 O ARG A 72 5.540 1.599 1.275 1.00 0.00 O ATOM 1050 CB ARG A 72 6.575 1.583 4.229 1.00 0.00 C ATOM 1051 CG ARG A 72 6.388 1.121 5.665 1.00 0.00 C ATOM 1052 CD ARG A 72 7.703 0.674 6.282 1.00 0.00 C ATOM 1053 NE ARG A 72 7.552 0.310 7.689 1.00 0.00 N ATOM 1054 CZ ARG A 72 7.597 1.188 8.684 1.00 0.00 C ATOM 1055 NH1 ARG A 72 7.787 2.475 8.428 1.00 0.00 N ATOM 1056 NH2 ARG A 72 7.451 0.780 9.938 1.00 0.00 N ATOM 0 H ARG A 72 4.370 0.302 3.333 1.00 0.00 H new ATOM 0 HA ARG A 72 5.038 3.081 4.118 1.00 0.00 H new ATOM 0 HB2 ARG A 72 6.918 0.741 3.627 1.00 0.00 H new ATOM 0 HB3 ARG A 72 7.361 2.338 4.199 1.00 0.00 H new ATOM 0 HG2 ARG A 72 5.964 1.932 6.257 1.00 0.00 H new ATOM 0 HG3 ARG A 72 5.673 0.299 5.694 1.00 0.00 H new ATOM 0 HD2 ARG A 72 8.092 -0.179 5.727 1.00 0.00 H new ATOM 0 HD3 ARG A 72 8.437 1.475 6.192 1.00 0.00 H new ATOM 0 HE ARG A 72 7.404 -0.673 7.919 1.00 0.00 H new ATOM 0 HH11 ARG A 72 7.899 2.792 7.465 1.00 0.00 H new ATOM 0 HH12 ARG A 72 7.821 3.148 9.194 1.00 0.00 H new ATOM 0 HH21 ARG A 72 7.304 -0.209 10.139 1.00 0.00 H new ATOM 0 HH22 ARG A 72 7.486 1.456 10.701 1.00 0.00 H new ATOM 1070 N CYS A 73 5.788 3.762 1.844 1.00 0.00 N ATOM 1071 CA CYS A 73 6.041 4.206 0.478 1.00 0.00 C ATOM 1072 C CYS A 73 7.398 4.894 0.372 1.00 0.00 C ATOM 1073 O CYS A 73 7.588 5.996 0.885 1.00 0.00 O ATOM 1074 CB CYS A 73 4.936 5.157 0.016 1.00 0.00 C ATOM 1075 SG CYS A 73 5.266 5.955 -1.573 1.00 0.00 S ATOM 0 H CYS A 73 5.805 4.508 2.540 1.00 0.00 H new ATOM 0 HA CYS A 73 6.048 3.328 -0.168 1.00 0.00 H new ATOM 0 HB2 CYS A 73 4.000 4.602 -0.055 1.00 0.00 H new ATOM 0 HB3 CYS A 73 4.793 5.927 0.774 1.00 0.00 H new ATOM 0 HG CYS A 73 4.971 5.137 -2.539 1.00 0.00 H new ATOM 1081 N ASN A 74 8.340 4.235 -0.295 1.00 0.00 N ATOM 1082 CA ASN A 74 9.681 4.782 -0.466 1.00 0.00 C ATOM 1083 C ASN A 74 10.384 4.931 0.880 1.00 0.00 C ATOM 1084 O ASN A 74 11.191 5.838 1.074 1.00 0.00 O ATOM 1085 CB ASN A 74 9.614 6.139 -1.172 1.00 0.00 C ATOM 1086 CG ASN A 74 9.692 6.010 -2.681 1.00 0.00 C ATOM 1087 OD1 ASN A 74 10.753 6.196 -3.277 1.00 0.00 O ATOM 1088 ND2 ASN A 74 8.565 5.689 -3.306 1.00 0.00 N ATOM 0 H ASN A 74 8.199 3.321 -0.726 1.00 0.00 H new ATOM 0 HA ASN A 74 10.254 4.087 -1.080 1.00 0.00 H new ATOM 0 HB2 ASN A 74 8.686 6.641 -0.901 1.00 0.00 H new ATOM 0 HB3 ASN A 74 10.432 6.769 -0.821 1.00 0.00 H new ATOM 0 HD21 ASN A 74 8.556 5.587 -4.321 1.00 0.00 H new ATOM 0 HD22 ASN A 74 7.709 5.544 -2.771 1.00 0.00 H new ATOM 1095 N GLY A 75 10.070 4.031 1.807 1.00 0.00 N ATOM 1096 CA GLY A 75 10.680 4.079 3.123 1.00 0.00 C ATOM 1097 C GLY A 75 9.945 5.006 4.070 1.00 0.00 C ATOM 1098 O GLY A 75 10.318 5.136 5.235 1.00 0.00 O ATOM 0 H GLY A 75 9.405 3.270 1.670 1.00 0.00 H new ATOM 0 HA2 GLY A 75 10.702 3.075 3.547 1.00 0.00 H new ATOM 0 HA3 GLY A 75 11.715 4.408 3.028 1.00 0.00 H new ATOM 1102 N GLU A 76 8.898 5.653 3.568 1.00 0.00 N ATOM 1103 CA GLU A 76 8.110 6.575 4.378 1.00 0.00 C ATOM 1104 C GLU A 76 6.640 6.167 4.392 1.00 0.00 C ATOM 1105 O GLU A 76 6.014 6.019 3.342 1.00 0.00 O ATOM 1106 CB GLU A 76 8.250 8.003 3.846 1.00 0.00 C ATOM 1107 CG GLU A 76 9.599 8.634 4.144 1.00 0.00 C ATOM 1108 CD GLU A 76 10.631 8.339 3.073 1.00 0.00 C ATOM 1109 OE1 GLU A 76 10.435 8.786 1.923 1.00 0.00 O ATOM 1110 OE2 GLU A 76 11.633 7.662 3.383 1.00 0.00 O ATOM 0 H GLU A 76 8.576 5.556 2.605 1.00 0.00 H new ATOM 0 HA GLU A 76 8.489 6.537 5.399 1.00 0.00 H new ATOM 0 HB2 GLU A 76 8.091 7.997 2.768 1.00 0.00 H new ATOM 0 HB3 GLU A 76 7.465 8.622 4.280 1.00 0.00 H new ATOM 0 HG2 GLU A 76 9.478 9.713 4.239 1.00 0.00 H new ATOM 0 HG3 GLU A 76 9.963 8.268 5.104 1.00 0.00 H new ATOM 1117 N THR A 77 6.093 5.985 5.591 1.00 0.00 N ATOM 1118 CA THR A 77 4.698 5.593 5.743 1.00 0.00 C ATOM 1119 C THR A 77 3.767 6.611 5.094 1.00 0.00 C ATOM 1120 O THR A 77 4.050 7.808 5.085 1.00 0.00 O ATOM 1121 CB THR A 77 4.317 5.438 7.227 1.00 0.00 C ATOM 1122 OG1 THR A 77 4.548 6.668 7.923 1.00 0.00 O ATOM 1123 CG2 THR A 77 5.120 4.323 7.879 1.00 0.00 C ATOM 0 H THR A 77 6.596 6.103 6.470 1.00 0.00 H new ATOM 0 HA THR A 77 4.584 4.631 5.244 1.00 0.00 H new ATOM 0 HB THR A 77 3.259 5.182 7.282 1.00 0.00 H new ATOM 0 HG1 THR A 77 4.302 6.562 8.866 1.00 0.00 H new ATOM 0 HG21 THR A 77 4.833 4.233 8.927 1.00 0.00 H new ATOM 0 HG22 THR A 77 4.920 3.382 7.366 1.00 0.00 H new ATOM 0 HG23 THR A 77 6.183 4.554 7.812 1.00 0.00 H new ATOM 1131 N LEU A 78 2.654 6.127 4.553 1.00 0.00 N ATOM 1132 CA LEU A 78 1.679 6.995 3.903 1.00 0.00 C ATOM 1133 C LEU A 78 1.379 8.217 4.764 1.00 0.00 C ATOM 1134 O LEU A 78 1.413 9.351 4.285 1.00 0.00 O ATOM 1135 CB LEU A 78 0.387 6.225 3.620 1.00 0.00 C ATOM 1136 CG LEU A 78 0.541 5.024 2.687 1.00 0.00 C ATOM 1137 CD1 LEU A 78 -0.770 4.262 2.577 1.00 0.00 C ATOM 1138 CD2 LEU A 78 1.014 5.475 1.313 1.00 0.00 C ATOM 0 H LEU A 78 2.405 5.138 4.552 1.00 0.00 H new ATOM 0 HA LEU A 78 2.105 7.335 2.959 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.027 5.879 4.567 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.340 6.912 3.186 1.00 0.00 H new ATOM 0 HG LEU A 78 1.292 4.355 3.107 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.641 3.411 1.909 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.068 3.907 3.563 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -1.542 4.921 2.180 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.118 4.608 0.661 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.286 6.164 0.886 1.00 0.00 H new ATOM 0 HD23 LEU A 78 1.977 5.977 1.406 1.00 0.00 H new ATOM 1150 N ARG A 79 1.085 7.978 6.038 1.00 0.00 N ATOM 1151 CA ARG A 79 0.776 9.059 6.967 1.00 0.00 C ATOM 1152 C ARG A 79 1.864 10.129 6.936 1.00 0.00 C ATOM 1153 O ARG A 79 1.572 11.323 6.862 1.00 0.00 O ATOM 1154 CB ARG A 79 0.625 8.511 8.387 1.00 0.00 C ATOM 1155 CG ARG A 79 0.315 9.580 9.422 1.00 0.00 C ATOM 1156 CD ARG A 79 0.671 9.116 10.826 1.00 0.00 C ATOM 1157 NE ARG A 79 2.081 8.752 10.941 1.00 0.00 N ATOM 1158 CZ ARG A 79 2.666 8.435 12.091 1.00 0.00 C ATOM 1159 NH1 ARG A 79 1.967 8.437 13.217 1.00 0.00 N ATOM 1160 NH2 ARG A 79 3.953 8.114 12.115 1.00 0.00 N ATOM 0 H ARG A 79 1.054 7.046 6.451 1.00 0.00 H new ATOM 0 HA ARG A 79 -0.165 9.513 6.658 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -0.170 7.766 8.397 1.00 0.00 H new ATOM 0 HB3 ARG A 79 1.545 7.999 8.670 1.00 0.00 H new ATOM 0 HG2 ARG A 79 0.870 10.488 9.186 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -0.744 9.833 9.379 1.00 0.00 H new ATOM 0 HD2 ARG A 79 0.442 9.908 11.539 1.00 0.00 H new ATOM 0 HD3 ARG A 79 0.052 8.259 11.092 1.00 0.00 H new ATOM 0 HE ARG A 79 2.647 8.741 10.093 1.00 0.00 H new ATOM 0 HH11 ARG A 79 0.977 8.682 13.202 1.00 0.00 H new ATOM 0 HH12 ARG A 79 2.419 8.193 14.098 1.00 0.00 H new ATOM 0 HH21 ARG A 79 4.494 8.110 11.250 1.00 0.00 H new ATOM 0 HH22 ARG A 79 4.402 7.871 12.998 1.00 0.00 H new ATOM 1174 N HIS A 80 3.118 9.693 6.992 1.00 0.00 N ATOM 1175 CA HIS A 80 4.249 10.614 6.970 1.00 0.00 C ATOM 1176 C HIS A 80 4.200 11.506 5.734 1.00 0.00 C ATOM 1177 O HIS A 80 4.433 12.711 5.816 1.00 0.00 O ATOM 1178 CB HIS A 80 5.566 9.837 7.002 1.00 0.00 C ATOM 1179 CG HIS A 80 6.742 10.670 7.411 1.00 0.00 C ATOM 1180 ND1 HIS A 80 7.247 10.680 8.694 1.00 0.00 N ATOM 1181 CD2 HIS A 80 7.515 11.522 6.698 1.00 0.00 C ATOM 1182 CE1 HIS A 80 8.278 11.504 8.753 1.00 0.00 C ATOM 1183 NE2 HIS A 80 8.462 12.027 7.555 1.00 0.00 N ATOM 0 H HIS A 80 3.377 8.708 7.053 1.00 0.00 H new ATOM 0 HA HIS A 80 4.188 11.248 7.855 1.00 0.00 H new ATOM 0 HB2 HIS A 80 5.467 8.999 7.692 1.00 0.00 H new ATOM 0 HB3 HIS A 80 5.755 9.417 6.014 1.00 0.00 H new ATOM 0 HD2 HIS A 80 7.407 11.760 5.650 1.00 0.00 H new ATOM 0 HE1 HIS A 80 8.870 11.714 9.632 1.00 0.00 H new ATOM 0 HE2 HIS A 80 9.189 12.697 7.306 1.00 0.00 H new ATOM 1192 N LEU A 81 3.896 10.905 4.588 1.00 0.00 N ATOM 1193 CA LEU A 81 3.817 11.644 3.334 1.00 0.00 C ATOM 1194 C LEU A 81 2.722 12.705 3.395 1.00 0.00 C ATOM 1195 O LEU A 81 2.913 13.834 2.946 1.00 0.00 O ATOM 1196 CB LEU A 81 3.552 10.687 2.169 1.00 0.00 C ATOM 1197 CG LEU A 81 4.588 9.577 1.996 1.00 0.00 C ATOM 1198 CD1 LEU A 81 4.099 8.541 0.996 1.00 0.00 C ATOM 1199 CD2 LEU A 81 5.923 10.158 1.553 1.00 0.00 C ATOM 0 H LEU A 81 3.700 9.908 4.502 1.00 0.00 H new ATOM 0 HA LEU A 81 4.773 12.143 3.175 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.572 10.230 2.309 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.504 11.266 1.247 1.00 0.00 H new ATOM 0 HG LEU A 81 4.729 9.085 2.959 1.00 0.00 H new ATOM 0 HD11 LEU A 81 4.850 7.759 0.886 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.167 8.102 1.353 1.00 0.00 H new ATOM 0 HD13 LEU A 81 3.929 9.019 0.031 1.00 0.00 H new ATOM 0 HD21 LEU A 81 6.649 9.353 1.435 1.00 0.00 H new ATOM 0 HD22 LEU A 81 5.797 10.676 0.602 1.00 0.00 H new ATOM 0 HD23 LEU A 81 6.281 10.862 2.304 1.00 0.00 H new ATOM 1211 N GLU A 82 1.576 12.331 3.955 1.00 0.00 N ATOM 1212 CA GLU A 82 0.450 13.250 4.075 1.00 0.00 C ATOM 1213 C GLU A 82 0.814 14.446 4.951 1.00 0.00 C ATOM 1214 O GLU A 82 0.521 15.591 4.608 1.00 0.00 O ATOM 1215 CB GLU A 82 -0.767 12.528 4.658 1.00 0.00 C ATOM 1216 CG GLU A 82 -2.007 13.401 4.746 1.00 0.00 C ATOM 1217 CD GLU A 82 -3.068 12.816 5.659 1.00 0.00 C ATOM 1218 OE1 GLU A 82 -2.708 12.020 6.551 1.00 0.00 O ATOM 1219 OE2 GLU A 82 -4.256 13.155 5.482 1.00 0.00 O ATOM 0 H GLU A 82 1.403 11.399 4.332 1.00 0.00 H new ATOM 0 HA GLU A 82 0.204 13.614 3.078 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -0.990 11.655 4.044 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -0.519 12.162 5.654 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -1.726 14.390 5.108 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -2.425 13.534 3.748 1.00 0.00 H new ATOM 1226 N GLN A 83 1.453 14.169 6.083 1.00 0.00 N ATOM 1227 CA GLN A 83 1.856 15.222 7.008 1.00 0.00 C ATOM 1228 C GLN A 83 2.730 16.257 6.308 1.00 0.00 C ATOM 1229 O GLN A 83 2.614 17.456 6.562 1.00 0.00 O ATOM 1230 CB GLN A 83 2.608 14.623 8.198 1.00 0.00 C ATOM 1231 CG GLN A 83 1.822 13.553 8.938 1.00 0.00 C ATOM 1232 CD GLN A 83 0.900 14.131 9.995 1.00 0.00 C ATOM 1233 OE1 GLN A 83 0.723 15.346 10.082 1.00 0.00 O ATOM 1234 NE2 GLN A 83 0.308 13.261 10.804 1.00 0.00 N ATOM 0 H GLN A 83 1.702 13.226 6.381 1.00 0.00 H new ATOM 0 HA GLN A 83 0.955 15.719 7.368 1.00 0.00 H new ATOM 0 HB2 GLN A 83 3.546 14.195 7.846 1.00 0.00 H new ATOM 0 HB3 GLN A 83 2.864 15.421 8.895 1.00 0.00 H new ATOM 0 HG2 GLN A 83 1.233 12.980 8.222 1.00 0.00 H new ATOM 0 HG3 GLN A 83 2.517 12.857 9.409 1.00 0.00 H new ATOM 0 HE21 GLN A 83 0.484 12.262 10.695 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -0.323 13.591 11.534 1.00 0.00 H new ATOM 1243 N LYS A 84 3.605 15.787 5.426 1.00 0.00 N ATOM 1244 CA LYS A 84 4.499 16.671 4.688 1.00 0.00 C ATOM 1245 C LYS A 84 3.798 17.257 3.467 1.00 0.00 C ATOM 1246 O LYS A 84 4.434 17.858 2.602 1.00 0.00 O ATOM 1247 CB LYS A 84 5.755 15.913 4.254 1.00 0.00 C ATOM 1248 CG LYS A 84 6.659 15.521 5.410 1.00 0.00 C ATOM 1249 CD LYS A 84 7.481 14.286 5.080 1.00 0.00 C ATOM 1250 CE LYS A 84 8.714 14.638 4.263 1.00 0.00 C ATOM 1251 NZ LYS A 84 9.682 15.456 5.045 1.00 0.00 N ATOM 0 H LYS A 84 3.714 14.797 5.205 1.00 0.00 H new ATOM 0 HA LYS A 84 4.786 17.490 5.348 1.00 0.00 H new ATOM 0 HB2 LYS A 84 5.458 15.013 3.715 1.00 0.00 H new ATOM 0 HB3 LYS A 84 6.319 16.531 3.556 1.00 0.00 H new ATOM 0 HG2 LYS A 84 7.325 16.350 5.649 1.00 0.00 H new ATOM 0 HG3 LYS A 84 6.055 15.331 6.297 1.00 0.00 H new ATOM 0 HD2 LYS A 84 7.784 13.792 6.003 1.00 0.00 H new ATOM 0 HD3 LYS A 84 6.867 13.576 4.526 1.00 0.00 H new ATOM 0 HE2 LYS A 84 9.201 13.722 3.927 1.00 0.00 H new ATOM 0 HE3 LYS A 84 8.414 15.186 3.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 10.633 15.353 4.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 9.397 16.456 5.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 9.693 15.131 6.033 1.00 0.00 H new ATOM 1265 N GLY A 85 2.482 17.079 3.403 1.00 0.00 N ATOM 1266 CA GLY A 85 1.716 17.597 2.284 1.00 0.00 C ATOM 1267 C GLY A 85 2.106 16.954 0.968 1.00 0.00 C ATOM 1268 O GLY A 85 2.067 17.597 -0.081 1.00 0.00 O ATOM 0 H GLY A 85 1.932 16.585 4.106 1.00 0.00 H new ATOM 0 HA2 GLY A 85 0.654 17.430 2.466 1.00 0.00 H new ATOM 0 HA3 GLY A 85 1.862 18.675 2.216 1.00 0.00 H new ATOM 1272 N LEU A 86 2.485 15.682 1.022 1.00 0.00 N ATOM 1273 CA LEU A 86 2.885 14.951 -0.176 1.00 0.00 C ATOM 1274 C LEU A 86 1.766 14.031 -0.652 1.00 0.00 C ATOM 1275 O LEU A 86 1.548 13.870 -1.852 1.00 0.00 O ATOM 1276 CB LEU A 86 4.150 14.135 0.099 1.00 0.00 C ATOM 1277 CG LEU A 86 5.285 14.908 0.772 1.00 0.00 C ATOM 1278 CD1 LEU A 86 6.393 13.961 1.205 1.00 0.00 C ATOM 1279 CD2 LEU A 86 5.830 15.976 -0.164 1.00 0.00 C ATOM 0 H LEU A 86 2.524 15.135 1.882 1.00 0.00 H new ATOM 0 HA LEU A 86 3.092 15.677 -0.962 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.886 13.285 0.729 1.00 0.00 H new ATOM 0 HB3 LEU A 86 4.516 13.731 -0.845 1.00 0.00 H new ATOM 0 HG LEU A 86 4.888 15.399 1.660 1.00 0.00 H new ATOM 0 HD11 LEU A 86 7.192 14.529 1.682 1.00 0.00 H new ATOM 0 HD12 LEU A 86 5.994 13.233 1.911 1.00 0.00 H new ATOM 0 HD13 LEU A 86 6.789 13.441 0.333 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.637 16.516 0.331 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.211 15.505 -1.070 1.00 0.00 H new ATOM 0 HD23 LEU A 86 5.033 16.673 -0.424 1.00 0.00 H new ATOM 1291 N LEU A 87 1.058 13.430 0.299 1.00 0.00 N ATOM 1292 CA LEU A 87 -0.040 12.525 -0.023 1.00 0.00 C ATOM 1293 C LEU A 87 -1.384 13.151 0.335 1.00 0.00 C ATOM 1294 O LEU A 87 -1.498 13.882 1.319 1.00 0.00 O ATOM 1295 CB LEU A 87 0.132 11.198 0.720 1.00 0.00 C ATOM 1296 CG LEU A 87 -0.850 10.098 0.316 1.00 0.00 C ATOM 1297 CD1 LEU A 87 -0.337 9.346 -0.902 1.00 0.00 C ATOM 1298 CD2 LEU A 87 -1.085 9.142 1.475 1.00 0.00 C ATOM 0 H LEU A 87 1.225 13.553 1.298 1.00 0.00 H new ATOM 0 HA LEU A 87 -0.022 12.338 -1.097 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.147 10.836 0.556 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.028 11.382 1.789 1.00 0.00 H new ATOM 0 HG LEU A 87 -1.801 10.563 0.056 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -1.049 8.567 -1.175 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -0.220 10.039 -1.735 1.00 0.00 H new ATOM 0 HD13 LEU A 87 0.626 8.892 -0.670 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -1.786 8.366 1.170 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -0.140 8.683 1.766 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -1.497 9.691 2.322 1.00 0.00 H new ATOM 1310 N PHE A 88 -2.399 12.860 -0.472 1.00 0.00 N ATOM 1311 CA PHE A 88 -3.736 13.396 -0.242 1.00 0.00 C ATOM 1312 C PHE A 88 -4.561 12.446 0.622 1.00 0.00 C ATOM 1313 O PHE A 88 -5.362 12.880 1.449 1.00 0.00 O ATOM 1314 CB PHE A 88 -4.447 13.639 -1.574 1.00 0.00 C ATOM 1315 CG PHE A 88 -5.190 12.438 -2.085 1.00 0.00 C ATOM 1316 CD1 PHE A 88 -4.532 11.238 -2.298 1.00 0.00 C ATOM 1317 CD2 PHE A 88 -6.548 12.510 -2.353 1.00 0.00 C ATOM 1318 CE1 PHE A 88 -5.213 10.131 -2.767 1.00 0.00 C ATOM 1319 CE2 PHE A 88 -7.235 11.406 -2.822 1.00 0.00 C ATOM 1320 CZ PHE A 88 -6.566 10.215 -3.031 1.00 0.00 C ATOM 0 H PHE A 88 -2.321 12.256 -1.291 1.00 0.00 H new ATOM 0 HA PHE A 88 -3.635 14.344 0.286 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -5.147 14.467 -1.457 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -3.712 13.945 -2.318 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -3.474 11.167 -2.095 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -7.075 13.439 -2.194 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -4.688 9.201 -2.927 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -8.294 11.474 -3.025 1.00 0.00 H new ATOM 0 HZ PHE A 88 -7.100 9.352 -3.400 1.00 0.00 H new ATOM 1330 N SER A 89 -4.359 11.148 0.422 1.00 0.00 N ATOM 1331 CA SER A 89 -5.087 10.136 1.179 1.00 0.00 C ATOM 1332 C SER A 89 -6.584 10.427 1.174 1.00 0.00 C ATOM 1333 O SER A 89 -7.243 10.363 2.211 1.00 0.00 O ATOM 1334 CB SER A 89 -4.571 10.076 2.618 1.00 0.00 C ATOM 1335 OG SER A 89 -4.712 8.773 3.157 1.00 0.00 O ATOM 0 H SER A 89 -3.698 10.772 -0.257 1.00 0.00 H new ATOM 0 HA SER A 89 -4.921 9.170 0.701 1.00 0.00 H new ATOM 0 HB2 SER A 89 -3.522 10.372 2.644 1.00 0.00 H new ATOM 0 HB3 SER A 89 -5.119 10.789 3.234 1.00 0.00 H new ATOM 0 HG SER A 89 -3.993 8.606 3.802 1.00 0.00 H new ATOM 1341 N GLY A 90 -7.115 10.747 -0.002 1.00 0.00 N ATOM 1342 CA GLY A 90 -8.531 11.043 -0.121 1.00 0.00 C ATOM 1343 C GLY A 90 -8.882 12.417 0.414 1.00 0.00 C ATOM 1344 O GLY A 90 -8.220 12.948 1.306 1.00 0.00 O ATOM 0 H GLY A 90 -6.590 10.807 -0.874 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -8.826 10.978 -1.168 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -9.104 10.289 0.419 1.00 0.00 H new ATOM 1348 N PRO A 91 -9.947 13.017 -0.139 1.00 0.00 N ATOM 1349 CA PRO A 91 -10.409 14.347 0.271 1.00 0.00 C ATOM 1350 C PRO A 91 -11.014 14.344 1.671 1.00 0.00 C ATOM 1351 O PRO A 91 -10.660 15.169 2.512 1.00 0.00 O ATOM 1352 CB PRO A 91 -11.475 14.690 -0.772 1.00 0.00 C ATOM 1353 CG PRO A 91 -11.966 13.370 -1.260 1.00 0.00 C ATOM 1354 CD PRO A 91 -10.783 12.443 -1.207 1.00 0.00 C ATOM 0 HA PRO A 91 -9.591 15.066 0.316 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -12.283 15.276 -0.334 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -11.057 15.282 -1.586 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -12.779 13.001 -0.635 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -12.355 13.449 -2.275 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -11.083 11.421 -0.977 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -10.253 12.413 -2.159 1.00 0.00 H new ATOM 1362 N SER A 92 -11.928 13.410 1.913 1.00 0.00 N ATOM 1363 CA SER A 92 -12.586 13.302 3.210 1.00 0.00 C ATOM 1364 C SER A 92 -11.606 12.821 4.277 1.00 0.00 C ATOM 1365 O SER A 92 -11.453 13.450 5.324 1.00 0.00 O ATOM 1366 CB SER A 92 -13.775 12.344 3.125 1.00 0.00 C ATOM 1367 OG SER A 92 -13.383 11.090 2.591 1.00 0.00 O ATOM 0 H SER A 92 -12.230 12.717 1.228 1.00 0.00 H new ATOM 0 HA SER A 92 -12.946 14.292 3.491 1.00 0.00 H new ATOM 0 HB2 SER A 92 -14.203 12.202 4.117 1.00 0.00 H new ATOM 0 HB3 SER A 92 -14.554 12.781 2.501 1.00 0.00 H new ATOM 0 HG SER A 92 -14.161 10.495 2.549 1.00 0.00 H new ATOM 1373 N SER A 93 -10.945 11.701 4.003 1.00 0.00 N ATOM 1374 CA SER A 93 -9.983 11.132 4.939 1.00 0.00 C ATOM 1375 C SER A 93 -8.814 12.086 5.163 1.00 0.00 C ATOM 1376 O SER A 93 -8.248 12.625 4.214 1.00 0.00 O ATOM 1377 CB SER A 93 -9.468 9.788 4.421 1.00 0.00 C ATOM 1378 OG SER A 93 -10.335 8.731 4.795 1.00 0.00 O ATOM 0 H SER A 93 -11.058 11.169 3.140 1.00 0.00 H new ATOM 0 HA SER A 93 -10.489 10.975 5.892 1.00 0.00 H new ATOM 0 HB2 SER A 93 -9.380 9.823 3.335 1.00 0.00 H new ATOM 0 HB3 SER A 93 -8.470 9.601 4.816 1.00 0.00 H new ATOM 0 HG SER A 93 -9.985 7.883 4.450 1.00 0.00 H new ATOM 1384 N GLY A 94 -8.458 12.289 6.428 1.00 0.00 N ATOM 1385 CA GLY A 94 -7.358 13.178 6.755 1.00 0.00 C ATOM 1386 C GLY A 94 -7.166 13.335 8.251 1.00 0.00 C ATOM 1387 O GLY A 94 -7.882 12.724 9.043 1.00 0.00 O ATOM 0 H GLY A 94 -8.911 11.854 7.232 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -6.439 12.793 6.312 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -7.541 14.156 6.310 1.00 0.00 H new TER 1391 GLY A 94