USER MOD reduce.3.24.130724 H: found=0, std=0, add=863, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 860 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 70 GLN : amide:sc= -0.204 K(o=0.24,f=-0.4) USER MOD Set 1.2: A 90 SER OG : rot -20:sc= 0.449 USER MOD Set 2.1: A 57 HIS : no HD1:sc= -7.79! C(o=-6.8!,f=-12!) USER MOD Set 2.2: A 74 SER OG : rot -180:sc= 1.54 USER MOD Set 2.3: A 78 THR OG1 : rot 136:sc= -0.573 USER MOD Single : A 1 GLY N :NH3+ -109:sc= 0.0757 (180deg=0) USER MOD Single : A 2 SER OG : rot 42:sc= 1.22 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 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 150:sc= -0.457 USER MOD Single : A 12 SER OG : rot 67:sc= 0.909 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= -0.727 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -4.2! C(o=-4.2!,f=-6!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.0263 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 71:sc= 1.19 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -1.59 K(o=-1.6,f=0.25) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= -1.23 K(o=-1.2,f=-2.4!) USER MOD Single : A 81 ASN : amide:sc= -2.19! C(o=-2.2!,f=-6!) USER MOD Single : A 82 SER OG : rot 24:sc= 1.13 USER MOD Single : A 83 ASN : amide:sc= -0.0161 X(o=-0.016,f=-0.005) USER MOD Single : A 89 THR OG1 : rot 180:sc= -0.345 USER MOD Single : A 92 ASN : amide:sc= -0.651 K(o=-0.65,f=-6.4!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 THR OG1 : rot 180:sc= -0.0824 USER MOD Single : A 106 SER OG : rot 180:sc= -0.116 USER MOD Single : A 110 ASN : amide:sc= -3.44! K(o=-3.4!,f=-1.1) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -38.277 -5.702 -1.031 1.00 0.00 N ATOM 2 CA GLY A 1 -37.220 -6.506 -1.620 1.00 0.00 C ATOM 3 C GLY A 1 -35.924 -6.382 -0.817 1.00 0.00 C ATOM 4 O GLY A 1 -35.730 -5.408 -0.091 1.00 0.00 O ATOM 0 H1 GLY A 1 -38.986 -6.326 -0.595 1.00 0.00 H new ATOM 0 H2 GLY A 1 -37.874 -5.076 -0.305 1.00 0.00 H new ATOM 0 H3 GLY A 1 -38.729 -5.128 -1.771 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -37.530 -7.550 -1.657 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -37.047 -6.188 -2.648 1.00 0.00 H new ATOM 8 N SER A 2 -35.070 -7.383 -0.974 1.00 0.00 N ATOM 9 CA SER A 2 -33.797 -7.398 -0.273 1.00 0.00 C ATOM 10 C SER A 2 -32.907 -8.511 -0.828 1.00 0.00 C ATOM 11 O SER A 2 -33.403 -9.553 -1.255 1.00 0.00 O ATOM 12 CB SER A 2 -34.001 -7.582 1.233 1.00 0.00 C ATOM 13 OG SER A 2 -34.203 -6.339 1.899 1.00 0.00 O ATOM 0 H SER A 2 -35.235 -8.189 -1.576 1.00 0.00 H new ATOM 0 HA SER A 2 -33.307 -6.437 -0.432 1.00 0.00 H new ATOM 0 HB2 SER A 2 -34.860 -8.230 1.406 1.00 0.00 H new ATOM 0 HB3 SER A 2 -33.132 -8.084 1.658 1.00 0.00 H new ATOM 0 HG SER A 2 -34.797 -5.773 1.363 1.00 0.00 H new ATOM 19 N SER A 3 -31.607 -8.254 -0.804 1.00 0.00 N ATOM 20 CA SER A 3 -30.643 -9.221 -1.299 1.00 0.00 C ATOM 21 C SER A 3 -30.331 -10.253 -0.213 1.00 0.00 C ATOM 22 O SER A 3 -30.670 -10.054 0.952 1.00 0.00 O ATOM 23 CB SER A 3 -29.358 -8.531 -1.761 1.00 0.00 C ATOM 24 OG SER A 3 -29.625 -7.422 -2.615 1.00 0.00 O ATOM 0 H SER A 3 -31.199 -7.389 -0.449 1.00 0.00 H new ATOM 0 HA SER A 3 -31.080 -9.729 -2.159 1.00 0.00 H new ATOM 0 HB2 SER A 3 -28.796 -8.192 -0.891 1.00 0.00 H new ATOM 0 HB3 SER A 3 -28.729 -9.250 -2.286 1.00 0.00 H new ATOM 0 HG SER A 3 -28.780 -7.007 -2.887 1.00 0.00 H new ATOM 30 N GLY A 4 -29.689 -11.332 -0.634 1.00 0.00 N ATOM 31 CA GLY A 4 -29.328 -12.395 0.288 1.00 0.00 C ATOM 32 C GLY A 4 -27.868 -12.268 0.726 1.00 0.00 C ATOM 33 O GLY A 4 -27.351 -11.160 0.864 1.00 0.00 O ATOM 0 H GLY A 4 -29.409 -11.493 -1.602 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -29.978 -12.359 1.162 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -29.486 -13.363 -0.188 1.00 0.00 H new ATOM 37 N SER A 5 -27.243 -13.418 0.933 1.00 0.00 N ATOM 38 CA SER A 5 -25.852 -13.450 1.352 1.00 0.00 C ATOM 39 C SER A 5 -24.950 -12.985 0.208 1.00 0.00 C ATOM 40 O SER A 5 -25.399 -12.859 -0.930 1.00 0.00 O ATOM 41 CB SER A 5 -25.447 -14.851 1.812 1.00 0.00 C ATOM 42 OG SER A 5 -25.407 -15.778 0.730 1.00 0.00 O ATOM 0 H SER A 5 -27.675 -14.335 0.818 1.00 0.00 H new ATOM 0 HA SER A 5 -25.734 -12.772 2.197 1.00 0.00 H new ATOM 0 HB2 SER A 5 -24.467 -14.807 2.288 1.00 0.00 H new ATOM 0 HB3 SER A 5 -26.152 -15.203 2.565 1.00 0.00 H new ATOM 0 HG SER A 5 -25.143 -16.660 1.065 1.00 0.00 H new ATOM 48 N SER A 6 -23.692 -12.743 0.549 1.00 0.00 N ATOM 49 CA SER A 6 -22.723 -12.295 -0.436 1.00 0.00 C ATOM 50 C SER A 6 -21.388 -13.012 -0.221 1.00 0.00 C ATOM 51 O SER A 6 -21.088 -13.453 0.888 1.00 0.00 O ATOM 52 CB SER A 6 -22.528 -10.779 -0.367 1.00 0.00 C ATOM 53 OG SER A 6 -22.715 -10.159 -1.636 1.00 0.00 O ATOM 0 H SER A 6 -23.322 -12.849 1.494 1.00 0.00 H new ATOM 0 HA SER A 6 -23.105 -12.540 -1.427 1.00 0.00 H new ATOM 0 HB2 SER A 6 -23.231 -10.355 0.351 1.00 0.00 H new ATOM 0 HB3 SER A 6 -21.526 -10.559 0.000 1.00 0.00 H new ATOM 0 HG SER A 6 -22.584 -9.192 -1.550 1.00 0.00 H new ATOM 59 N GLY A 7 -20.623 -13.107 -1.298 1.00 0.00 N ATOM 60 CA GLY A 7 -19.328 -13.763 -1.241 1.00 0.00 C ATOM 61 C GLY A 7 -18.261 -12.822 -0.678 1.00 0.00 C ATOM 62 O GLY A 7 -18.574 -11.719 -0.233 1.00 0.00 O ATOM 0 H GLY A 7 -20.875 -12.740 -2.216 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -19.396 -14.656 -0.619 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -19.038 -14.091 -2.239 1.00 0.00 H new ATOM 66 N MET A 8 -17.023 -13.292 -0.717 1.00 0.00 N ATOM 67 CA MET A 8 -15.908 -12.506 -0.217 1.00 0.00 C ATOM 68 C MET A 8 -14.683 -12.654 -1.121 1.00 0.00 C ATOM 69 O MET A 8 -13.913 -13.603 -0.980 1.00 0.00 O ATOM 70 CB MET A 8 -15.555 -12.965 1.200 1.00 0.00 C ATOM 71 CG MET A 8 -15.462 -11.773 2.154 1.00 0.00 C ATOM 72 SD MET A 8 -16.337 -12.132 3.668 1.00 0.00 S ATOM 73 CE MET A 8 -15.273 -11.312 4.844 1.00 0.00 C ATOM 0 H MET A 8 -16.767 -14.207 -1.087 1.00 0.00 H new ATOM 0 HA MET A 8 -16.203 -11.457 -0.206 1.00 0.00 H new ATOM 0 HB2 MET A 8 -16.310 -13.664 1.558 1.00 0.00 H new ATOM 0 HB3 MET A 8 -14.606 -13.500 1.187 1.00 0.00 H new ATOM 0 HG2 MET A 8 -14.417 -11.552 2.372 1.00 0.00 H new ATOM 0 HG3 MET A 8 -15.884 -10.886 1.682 1.00 0.00 H new ATOM 0 HE1 MET A 8 -15.676 -11.438 5.849 1.00 0.00 H new ATOM 0 HE2 MET A 8 -14.275 -11.747 4.796 1.00 0.00 H new ATOM 0 HE3 MET A 8 -15.218 -10.250 4.606 1.00 0.00 H new ATOM 83 N VAL A 9 -14.541 -11.702 -2.032 1.00 0.00 N ATOM 84 CA VAL A 9 -13.423 -11.715 -2.959 1.00 0.00 C ATOM 85 C VAL A 9 -12.263 -10.913 -2.365 1.00 0.00 C ATOM 86 O VAL A 9 -12.315 -10.506 -1.205 1.00 0.00 O ATOM 87 CB VAL A 9 -13.871 -11.194 -4.326 1.00 0.00 C ATOM 88 CG1 VAL A 9 -14.877 -12.148 -4.974 1.00 0.00 C ATOM 89 CG2 VAL A 9 -14.449 -9.782 -4.212 1.00 0.00 C ATOM 0 H VAL A 9 -15.182 -10.917 -2.147 1.00 0.00 H new ATOM 0 HA VAL A 9 -13.068 -12.734 -3.114 1.00 0.00 H new ATOM 0 HB VAL A 9 -12.993 -11.145 -4.970 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -15.179 -11.754 -5.944 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -14.416 -13.127 -5.107 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -15.753 -12.244 -4.333 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -14.760 -9.435 -5.198 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -15.310 -9.794 -3.544 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -13.690 -9.109 -3.813 1.00 0.00 H new ATOM 99 N THR A 10 -11.244 -10.709 -3.186 1.00 0.00 N ATOM 100 CA THR A 10 -10.074 -9.963 -2.756 1.00 0.00 C ATOM 101 C THR A 10 -10.490 -8.627 -2.137 1.00 0.00 C ATOM 102 O THR A 10 -11.206 -7.846 -2.762 1.00 0.00 O ATOM 103 CB THR A 10 -9.142 -9.810 -3.960 1.00 0.00 C ATOM 104 OG1 THR A 10 -8.918 -11.148 -4.398 1.00 0.00 O ATOM 105 CG2 THR A 10 -7.751 -9.310 -3.564 1.00 0.00 C ATOM 0 H THR A 10 -11.204 -11.048 -4.147 1.00 0.00 H new ATOM 0 HA THR A 10 -9.533 -10.494 -1.973 1.00 0.00 H new ATOM 0 HB THR A 10 -9.586 -9.119 -4.677 1.00 0.00 H new ATOM 0 HG1 THR A 10 -8.764 -11.154 -5.366 1.00 0.00 H new ATOM 0 HG21 THR A 10 -7.130 -9.219 -4.455 1.00 0.00 H new ATOM 0 HG22 THR A 10 -7.838 -8.337 -3.081 1.00 0.00 H new ATOM 0 HG23 THR A 10 -7.293 -10.018 -2.873 1.00 0.00 H new ATOM 113 N PRO A 11 -10.013 -8.401 -0.884 1.00 0.00 N ATOM 114 CA PRO A 11 -10.329 -7.174 -0.173 1.00 0.00 C ATOM 115 C PRO A 11 -9.525 -5.996 -0.729 1.00 0.00 C ATOM 116 O PRO A 11 -8.455 -6.187 -1.305 1.00 0.00 O ATOM 117 CB PRO A 11 -10.015 -7.471 1.284 1.00 0.00 C ATOM 118 CG PRO A 11 -9.103 -8.687 1.274 1.00 0.00 C ATOM 119 CD PRO A 11 -9.164 -9.304 -0.113 1.00 0.00 C ATOM 0 HA PRO A 11 -11.371 -6.877 -0.290 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -9.527 -6.620 1.760 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -10.927 -7.671 1.847 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -8.081 -8.399 1.519 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -9.420 -9.408 2.027 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -8.170 -9.386 -0.554 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -9.583 -10.310 -0.081 1.00 0.00 H new ATOM 127 N SER A 12 -10.072 -4.805 -0.537 1.00 0.00 N ATOM 128 CA SER A 12 -9.420 -3.596 -1.012 1.00 0.00 C ATOM 129 C SER A 12 -8.188 -3.296 -0.156 1.00 0.00 C ATOM 130 O SER A 12 -8.189 -3.544 1.049 1.00 0.00 O ATOM 131 CB SER A 12 -10.382 -2.407 -0.994 1.00 0.00 C ATOM 132 OG SER A 12 -9.693 -1.164 -0.900 1.00 0.00 O ATOM 0 H SER A 12 -10.960 -4.651 -0.059 1.00 0.00 H new ATOM 0 HA SER A 12 -9.107 -3.759 -2.043 1.00 0.00 H new ATOM 0 HB2 SER A 12 -10.988 -2.418 -1.900 1.00 0.00 H new ATOM 0 HB3 SER A 12 -11.066 -2.507 -0.151 1.00 0.00 H new ATOM 0 HG SER A 12 -9.181 -1.011 -1.721 1.00 0.00 H new ATOM 138 N LEU A 13 -7.166 -2.766 -0.812 1.00 0.00 N ATOM 139 CA LEU A 13 -5.930 -2.429 -0.126 1.00 0.00 C ATOM 140 C LEU A 13 -5.980 -0.964 0.315 1.00 0.00 C ATOM 141 O LEU A 13 -5.952 -0.060 -0.519 1.00 0.00 O ATOM 142 CB LEU A 13 -4.722 -2.767 -1.002 1.00 0.00 C ATOM 143 CG LEU A 13 -3.402 -2.996 -0.264 1.00 0.00 C ATOM 144 CD1 LEU A 13 -2.532 -1.737 -0.292 1.00 0.00 C ATOM 145 CD2 LEU A 13 -3.650 -3.489 1.163 1.00 0.00 C ATOM 0 H LEU A 13 -7.169 -2.562 -1.811 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.818 -3.030 0.776 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.954 -3.664 -1.577 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.579 -1.958 -1.718 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.851 -3.780 -0.785 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.600 -1.927 0.240 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.312 -1.469 -1.326 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.064 -0.917 0.190 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.695 -3.644 1.666 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.231 -2.746 1.709 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.201 -4.429 1.133 1.00 0.00 H new ATOM 157 N ARG A 14 -6.053 -0.776 1.624 1.00 0.00 N ATOM 158 CA ARG A 14 -6.106 0.563 2.186 1.00 0.00 C ATOM 159 C ARG A 14 -4.836 0.854 2.988 1.00 0.00 C ATOM 160 O ARG A 14 -4.575 0.205 4.000 1.00 0.00 O ATOM 161 CB ARG A 14 -7.325 0.730 3.095 1.00 0.00 C ATOM 162 CG ARG A 14 -7.337 2.115 3.747 1.00 0.00 C ATOM 163 CD ARG A 14 -8.246 2.134 4.977 1.00 0.00 C ATOM 164 NE ARG A 14 -9.211 3.252 4.877 1.00 0.00 N ATOM 165 CZ ARG A 14 -9.956 3.694 5.899 1.00 0.00 C ATOM 166 NH1 ARG A 14 -9.852 3.117 7.104 1.00 0.00 N ATOM 167 NH2 ARG A 14 -10.805 4.715 5.716 1.00 0.00 N ATOM 0 H ARG A 14 -6.077 -1.529 2.312 1.00 0.00 H new ATOM 0 HA ARG A 14 -6.185 1.267 1.358 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -8.237 0.589 2.516 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -7.316 -0.039 3.867 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -6.323 2.394 4.035 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -7.679 2.857 3.026 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -8.781 1.188 5.059 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -7.646 2.240 5.881 1.00 0.00 H new ATOM 0 HE ARG A 14 -9.315 3.715 3.974 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -9.205 2.341 7.244 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -10.420 3.454 7.882 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -10.884 5.155 4.799 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -11.373 5.052 6.494 1.00 0.00 H new ATOM 181 N LEU A 15 -4.080 1.829 2.505 1.00 0.00 N ATOM 182 CA LEU A 15 -2.844 2.213 3.165 1.00 0.00 C ATOM 183 C LEU A 15 -3.105 3.424 4.063 1.00 0.00 C ATOM 184 O LEU A 15 -3.330 4.529 3.572 1.00 0.00 O ATOM 185 CB LEU A 15 -1.735 2.439 2.135 1.00 0.00 C ATOM 186 CG LEU A 15 -1.267 1.200 1.369 1.00 0.00 C ATOM 187 CD1 LEU A 15 -0.404 1.590 0.168 1.00 0.00 C ATOM 188 CD2 LEU A 15 -0.547 0.221 2.299 1.00 0.00 C ATOM 0 H LEU A 15 -4.299 2.364 1.665 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.490 1.408 3.809 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.082 3.178 1.413 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.875 2.872 2.646 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.146 0.687 0.979 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.085 0.690 -0.358 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.984 2.219 -0.507 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.473 2.139 0.513 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.224 -0.651 1.730 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.323 0.709 2.739 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.226 -0.094 3.092 1.00 0.00 H new ATOM 200 N VAL A 16 -3.066 3.174 5.364 1.00 0.00 N ATOM 201 CA VAL A 16 -3.295 4.230 6.335 1.00 0.00 C ATOM 202 C VAL A 16 -1.953 4.699 6.900 1.00 0.00 C ATOM 203 O VAL A 16 -1.170 3.892 7.400 1.00 0.00 O ATOM 204 CB VAL A 16 -4.262 3.745 7.417 1.00 0.00 C ATOM 205 CG1 VAL A 16 -4.456 4.810 8.498 1.00 0.00 C ATOM 206 CG2 VAL A 16 -5.604 3.332 6.808 1.00 0.00 C ATOM 0 H VAL A 16 -2.879 2.256 5.768 1.00 0.00 H new ATOM 0 HA VAL A 16 -3.765 5.090 5.859 1.00 0.00 H new ATOM 0 HB VAL A 16 -3.822 2.866 7.888 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -5.148 4.439 9.254 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -3.496 5.035 8.963 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -4.862 5.716 8.048 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -6.273 2.991 7.598 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -6.050 4.186 6.298 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -5.446 2.524 6.093 1.00 0.00 H new ATOM 216 N PHE A 17 -1.727 6.000 6.801 1.00 0.00 N ATOM 217 CA PHE A 17 -0.492 6.586 7.296 1.00 0.00 C ATOM 218 C PHE A 17 -0.578 6.857 8.799 1.00 0.00 C ATOM 219 O PHE A 17 -0.988 7.940 9.216 1.00 0.00 O ATOM 220 CB PHE A 17 -0.300 7.913 6.560 1.00 0.00 C ATOM 221 CG PHE A 17 0.338 7.771 5.177 1.00 0.00 C ATOM 222 CD1 PHE A 17 1.661 7.477 5.065 1.00 0.00 C ATOM 223 CD2 PHE A 17 -0.418 7.940 4.058 1.00 0.00 C ATOM 224 CE1 PHE A 17 2.253 7.345 3.781 1.00 0.00 C ATOM 225 CE2 PHE A 17 0.174 7.808 2.775 1.00 0.00 C ATOM 226 CZ PHE A 17 1.497 7.513 2.663 1.00 0.00 C ATOM 0 H PHE A 17 -2.378 6.666 6.385 1.00 0.00 H new ATOM 0 HA PHE A 17 0.339 5.902 7.125 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -1.269 8.401 6.453 1.00 0.00 H new ATOM 0 HB3 PHE A 17 0.322 8.568 7.170 1.00 0.00 H new ATOM 0 HD1 PHE A 17 2.262 7.344 5.953 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -1.469 8.175 4.146 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.304 7.111 3.692 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -0.426 7.942 1.887 1.00 0.00 H new ATOM 0 HZ PHE A 17 1.947 7.412 1.686 1.00 0.00 H new ATOM 236 N VAL A 18 -0.185 5.856 9.572 1.00 0.00 N ATOM 237 CA VAL A 18 -0.212 5.973 11.020 1.00 0.00 C ATOM 238 C VAL A 18 0.935 6.877 11.476 1.00 0.00 C ATOM 239 O VAL A 18 0.819 7.572 12.484 1.00 0.00 O ATOM 240 CB VAL A 18 -0.169 4.583 11.659 1.00 0.00 C ATOM 241 CG1 VAL A 18 -1.481 3.832 11.426 1.00 0.00 C ATOM 242 CG2 VAL A 18 1.024 3.778 11.139 1.00 0.00 C ATOM 0 H VAL A 18 0.154 4.960 9.223 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.142 6.438 11.348 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.043 4.712 12.734 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.424 2.847 11.890 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.305 4.394 11.866 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.650 3.719 10.355 1.00 0.00 H new ATOM 0 HG21 VAL A 18 1.032 2.794 11.609 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.942 3.663 10.058 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.949 4.302 11.379 1.00 0.00 H new ATOM 252 N LYS A 19 2.017 6.837 10.712 1.00 0.00 N ATOM 253 CA LYS A 19 3.184 7.643 11.025 1.00 0.00 C ATOM 254 C LYS A 19 3.692 8.315 9.748 1.00 0.00 C ATOM 255 O LYS A 19 3.030 8.268 8.712 1.00 0.00 O ATOM 256 CB LYS A 19 4.243 6.799 11.738 1.00 0.00 C ATOM 257 CG LYS A 19 3.737 6.321 13.101 1.00 0.00 C ATOM 258 CD LYS A 19 4.786 6.557 14.189 1.00 0.00 C ATOM 259 CE LYS A 19 4.312 6.008 15.536 1.00 0.00 C ATOM 260 NZ LYS A 19 5.198 6.473 16.626 1.00 0.00 N ATOM 0 H LYS A 19 2.110 6.259 9.877 1.00 0.00 H new ATOM 0 HA LYS A 19 2.921 8.439 11.722 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.504 5.939 11.121 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.153 7.385 11.869 1.00 0.00 H new ATOM 0 HG2 LYS A 19 2.818 6.848 13.357 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.493 5.260 13.050 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.723 6.077 13.906 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.989 7.624 14.278 1.00 0.00 H new ATOM 0 HE2 LYS A 19 3.289 6.332 15.728 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.301 4.918 15.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 4.862 6.091 17.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.168 6.143 16.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.187 7.512 16.663 1.00 0.00 H new ATOM 274 N GLY A 20 4.862 8.926 9.863 1.00 0.00 N ATOM 275 CA GLY A 20 5.466 9.607 8.731 1.00 0.00 C ATOM 276 C GLY A 20 4.941 11.039 8.608 1.00 0.00 C ATOM 277 O GLY A 20 4.219 11.516 9.482 1.00 0.00 O ATOM 0 H GLY A 20 5.408 8.963 10.724 1.00 0.00 H new ATOM 0 HA2 GLY A 20 6.550 9.622 8.847 1.00 0.00 H new ATOM 0 HA3 GLY A 20 5.251 9.057 7.815 1.00 0.00 H new ATOM 281 N PRO A 21 5.334 11.702 7.488 1.00 0.00 N ATOM 282 CA PRO A 21 4.911 13.069 7.240 1.00 0.00 C ATOM 283 C PRO A 21 3.448 13.119 6.797 1.00 0.00 C ATOM 284 O PRO A 21 2.806 14.166 6.876 1.00 0.00 O ATOM 285 CB PRO A 21 5.870 13.592 6.182 1.00 0.00 C ATOM 286 CG PRO A 21 6.495 12.363 5.543 1.00 0.00 C ATOM 287 CD PRO A 21 6.189 11.168 6.431 1.00 0.00 C ATOM 0 HA PRO A 21 4.949 13.690 8.135 1.00 0.00 H new ATOM 0 HB2 PRO A 21 5.344 14.193 5.440 1.00 0.00 H new ATOM 0 HB3 PRO A 21 6.632 14.231 6.627 1.00 0.00 H new ATOM 0 HG2 PRO A 21 6.093 12.207 4.542 1.00 0.00 H new ATOM 0 HG3 PRO A 21 7.572 12.494 5.437 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.684 10.379 5.874 1.00 0.00 H new ATOM 0 HD3 PRO A 21 7.102 10.735 6.841 1.00 0.00 H new ATOM 295 N ARG A 22 2.962 11.974 6.340 1.00 0.00 N ATOM 296 CA ARG A 22 1.586 11.874 5.885 1.00 0.00 C ATOM 297 C ARG A 22 0.695 11.326 7.002 1.00 0.00 C ATOM 298 O ARG A 22 -0.496 11.100 6.797 1.00 0.00 O ATOM 299 CB ARG A 22 1.476 10.961 4.661 1.00 0.00 C ATOM 300 CG ARG A 22 1.502 11.775 3.366 1.00 0.00 C ATOM 301 CD ARG A 22 2.505 11.189 2.371 1.00 0.00 C ATOM 302 NE ARG A 22 1.847 10.959 1.065 1.00 0.00 N ATOM 303 CZ ARG A 22 1.528 11.933 0.203 1.00 0.00 C ATOM 304 NH1 ARG A 22 1.804 13.210 0.502 1.00 0.00 N ATOM 305 NH2 ARG A 22 0.932 11.631 -0.959 1.00 0.00 N ATOM 0 H ARG A 22 3.497 11.108 6.275 1.00 0.00 H new ATOM 0 HA ARG A 22 1.255 12.875 5.610 1.00 0.00 H new ATOM 0 HB2 ARG A 22 2.298 10.245 4.662 1.00 0.00 H new ATOM 0 HB3 ARG A 22 0.552 10.385 4.714 1.00 0.00 H new ATOM 0 HG2 ARG A 22 0.507 11.788 2.920 1.00 0.00 H new ATOM 0 HG3 ARG A 22 1.766 12.809 3.587 1.00 0.00 H new ATOM 0 HD2 ARG A 22 3.348 11.869 2.248 1.00 0.00 H new ATOM 0 HD3 ARG A 22 2.906 10.251 2.756 1.00 0.00 H new ATOM 0 HE ARG A 22 1.623 9.998 0.805 1.00 0.00 H new ATOM 0 HH11 ARG A 22 2.257 13.440 1.386 1.00 0.00 H new ATOM 0 HH12 ARG A 22 1.561 13.952 -0.155 1.00 0.00 H new ATOM 0 HH21 ARG A 22 0.721 10.659 -1.187 1.00 0.00 H new ATOM 0 HH22 ARG A 22 0.689 12.373 -1.615 1.00 0.00 H new ATOM 319 N GLU A 23 1.307 11.130 8.161 1.00 0.00 N ATOM 320 CA GLU A 23 0.585 10.614 9.311 1.00 0.00 C ATOM 321 C GLU A 23 -0.804 11.249 9.394 1.00 0.00 C ATOM 322 O GLU A 23 -0.928 12.456 9.596 1.00 0.00 O ATOM 323 CB GLU A 23 1.372 10.846 10.602 1.00 0.00 C ATOM 324 CG GLU A 23 0.545 10.451 11.827 1.00 0.00 C ATOM 325 CD GLU A 23 0.191 11.679 12.669 1.00 0.00 C ATOM 326 OE1 GLU A 23 1.083 12.125 13.423 1.00 0.00 O ATOM 327 OE2 GLU A 23 -0.962 12.143 12.540 1.00 0.00 O ATOM 0 H GLU A 23 2.295 11.319 8.328 1.00 0.00 H new ATOM 0 HA GLU A 23 0.464 9.538 9.187 1.00 0.00 H new ATOM 0 HB2 GLU A 23 2.294 10.266 10.579 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.657 11.895 10.674 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.368 9.949 11.507 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.104 9.739 12.434 1.00 0.00 H new ATOM 334 N GLY A 24 -1.815 10.408 9.233 1.00 0.00 N ATOM 335 CA GLY A 24 -3.191 10.872 9.287 1.00 0.00 C ATOM 336 C GLY A 24 -3.874 10.724 7.926 1.00 0.00 C ATOM 337 O GLY A 24 -5.056 11.031 7.784 1.00 0.00 O ATOM 0 H GLY A 24 -1.709 9.408 9.065 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.741 10.304 10.037 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.214 11.916 9.598 1.00 0.00 H new ATOM 341 N ASP A 25 -3.099 10.254 6.959 1.00 0.00 N ATOM 342 CA ASP A 25 -3.614 10.062 5.614 1.00 0.00 C ATOM 343 C ASP A 25 -3.929 8.580 5.401 1.00 0.00 C ATOM 344 O ASP A 25 -3.366 7.718 6.074 1.00 0.00 O ATOM 345 CB ASP A 25 -2.584 10.482 4.565 1.00 0.00 C ATOM 346 CG ASP A 25 -2.564 11.977 4.240 1.00 0.00 C ATOM 347 OD1 ASP A 25 -3.341 12.374 3.345 1.00 0.00 O ATOM 348 OD2 ASP A 25 -1.773 12.690 4.895 1.00 0.00 O ATOM 0 H ASP A 25 -2.118 10.001 7.081 1.00 0.00 H new ATOM 0 HA ASP A 25 -4.509 10.674 5.505 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -1.594 10.188 4.912 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -2.777 9.928 3.646 1.00 0.00 H new ATOM 353 N ALA A 26 -4.829 8.329 4.461 1.00 0.00 N ATOM 354 CA ALA A 26 -5.225 6.966 4.150 1.00 0.00 C ATOM 355 C ALA A 26 -5.696 6.896 2.696 1.00 0.00 C ATOM 356 O ALA A 26 -6.396 7.790 2.222 1.00 0.00 O ATOM 357 CB ALA A 26 -6.304 6.511 5.134 1.00 0.00 C ATOM 0 H ALA A 26 -5.295 9.046 3.905 1.00 0.00 H new ATOM 0 HA ALA A 26 -4.379 6.287 4.256 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.601 5.489 4.901 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.911 6.552 6.150 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -7.170 7.168 5.054 1.00 0.00 H new ATOM 363 N LEU A 27 -5.294 5.824 2.028 1.00 0.00 N ATOM 364 CA LEU A 27 -5.667 5.626 0.637 1.00 0.00 C ATOM 365 C LEU A 27 -6.329 4.255 0.482 1.00 0.00 C ATOM 366 O LEU A 27 -6.316 3.447 1.409 1.00 0.00 O ATOM 367 CB LEU A 27 -4.456 5.831 -0.276 1.00 0.00 C ATOM 368 CG LEU A 27 -3.682 7.136 -0.080 1.00 0.00 C ATOM 369 CD1 LEU A 27 -2.173 6.887 -0.101 1.00 0.00 C ATOM 370 CD2 LEU A 27 -4.105 8.185 -1.111 1.00 0.00 C ATOM 0 H LEU A 27 -4.714 5.084 2.424 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.400 6.371 0.328 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.769 4.998 -0.127 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -4.794 5.784 -1.311 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.928 7.535 0.904 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.646 7.831 0.040 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.907 6.199 0.701 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.889 6.453 -1.060 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.540 9.103 -0.949 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -3.907 7.809 -2.115 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.170 8.391 -1.004 1.00 0.00 H new ATOM 382 N ASP A 28 -6.892 4.036 -0.697 1.00 0.00 N ATOM 383 CA ASP A 28 -7.558 2.777 -0.986 1.00 0.00 C ATOM 384 C ASP A 28 -7.425 2.465 -2.478 1.00 0.00 C ATOM 385 O ASP A 28 -7.397 3.375 -3.306 1.00 0.00 O ATOM 386 CB ASP A 28 -9.049 2.853 -0.650 1.00 0.00 C ATOM 387 CG ASP A 28 -9.888 3.692 -1.616 1.00 0.00 C ATOM 388 OD1 ASP A 28 -9.382 4.758 -2.029 1.00 0.00 O ATOM 389 OD2 ASP A 28 -11.016 3.247 -1.921 1.00 0.00 O ATOM 0 H ASP A 28 -6.901 4.709 -1.463 1.00 0.00 H new ATOM 0 HA ASP A 28 -7.090 2.001 -0.380 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -9.453 1.841 -0.627 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -9.159 3.263 0.354 1.00 0.00 H new ATOM 394 N TYR A 29 -7.346 1.177 -2.776 1.00 0.00 N ATOM 395 CA TYR A 29 -7.217 0.734 -4.153 1.00 0.00 C ATOM 396 C TYR A 29 -7.960 -0.585 -4.377 1.00 0.00 C ATOM 397 O TYR A 29 -8.429 -1.207 -3.425 1.00 0.00 O ATOM 398 CB TYR A 29 -5.721 0.509 -4.385 1.00 0.00 C ATOM 399 CG TYR A 29 -4.866 1.762 -4.189 1.00 0.00 C ATOM 400 CD1 TYR A 29 -4.486 2.147 -2.919 1.00 0.00 C ATOM 401 CD2 TYR A 29 -4.474 2.507 -5.282 1.00 0.00 C ATOM 402 CE1 TYR A 29 -3.681 3.326 -2.735 1.00 0.00 C ATOM 403 CE2 TYR A 29 -3.668 3.687 -5.098 1.00 0.00 C ATOM 404 CZ TYR A 29 -3.312 4.038 -3.833 1.00 0.00 C ATOM 405 OH TYR A 29 -2.551 5.152 -3.659 1.00 0.00 O ATOM 0 H TYR A 29 -7.369 0.426 -2.087 1.00 0.00 H new ATOM 0 HA TYR A 29 -7.640 1.472 -4.835 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -5.371 -0.267 -3.705 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -5.573 0.135 -5.398 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -4.793 1.564 -2.063 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -4.771 2.206 -6.276 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -3.377 3.638 -1.747 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -3.354 4.279 -5.945 1.00 0.00 H new ATOM 0 HH TYR A 29 -2.362 5.559 -4.530 1.00 0.00 H new ATOM 415 N LYS A 30 -8.043 -0.973 -5.641 1.00 0.00 N ATOM 416 CA LYS A 30 -8.721 -2.207 -6.002 1.00 0.00 C ATOM 417 C LYS A 30 -7.699 -3.343 -6.074 1.00 0.00 C ATOM 418 O LYS A 30 -6.494 -3.097 -6.113 1.00 0.00 O ATOM 419 CB LYS A 30 -9.524 -2.019 -7.291 1.00 0.00 C ATOM 420 CG LYS A 30 -10.958 -1.582 -6.985 1.00 0.00 C ATOM 421 CD LYS A 30 -11.302 -0.282 -7.714 1.00 0.00 C ATOM 422 CE LYS A 30 -12.153 0.633 -6.832 1.00 0.00 C ATOM 423 NZ LYS A 30 -12.565 1.841 -7.582 1.00 0.00 N ATOM 0 H LYS A 30 -7.652 -0.455 -6.428 1.00 0.00 H new ATOM 0 HA LYS A 30 -9.448 -2.480 -5.237 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -9.039 -1.273 -7.920 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -9.537 -2.952 -7.855 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -11.653 -2.366 -7.285 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -11.078 -1.443 -5.911 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -10.385 0.233 -7.999 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -11.840 -0.509 -8.635 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -13.035 0.095 -6.485 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -11.587 0.923 -5.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -13.142 2.451 -6.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -11.720 2.362 -7.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -13.123 1.560 -8.413 1.00 0.00 H new ATOM 437 N PRO A 31 -8.230 -4.594 -6.090 1.00 0.00 N ATOM 438 CA PRO A 31 -7.378 -5.769 -6.157 1.00 0.00 C ATOM 439 C PRO A 31 -6.810 -5.955 -7.565 1.00 0.00 C ATOM 440 O PRO A 31 -7.552 -5.928 -8.546 1.00 0.00 O ATOM 441 CB PRO A 31 -8.263 -6.923 -5.716 1.00 0.00 C ATOM 442 CG PRO A 31 -9.694 -6.432 -5.866 1.00 0.00 C ATOM 443 CD PRO A 31 -9.652 -4.923 -6.045 1.00 0.00 C ATOM 0 HA PRO A 31 -6.501 -5.690 -5.515 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -8.087 -7.807 -6.329 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -8.053 -7.204 -4.684 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -10.172 -6.905 -6.724 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -10.282 -6.696 -4.987 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -10.158 -4.619 -6.961 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -10.151 -4.413 -5.221 1.00 0.00 H new ATOM 451 N GLY A 32 -5.499 -6.141 -7.620 1.00 0.00 N ATOM 452 CA GLY A 32 -4.823 -6.331 -8.892 1.00 0.00 C ATOM 453 C GLY A 32 -4.204 -5.022 -9.386 1.00 0.00 C ATOM 454 O GLY A 32 -3.802 -4.919 -10.544 1.00 0.00 O ATOM 0 H GLY A 32 -4.887 -6.164 -6.804 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.045 -7.087 -8.785 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -5.531 -6.704 -9.632 1.00 0.00 H new ATOM 458 N SER A 33 -4.147 -4.054 -8.483 1.00 0.00 N ATOM 459 CA SER A 33 -3.584 -2.756 -8.812 1.00 0.00 C ATOM 460 C SER A 33 -2.271 -2.547 -8.054 1.00 0.00 C ATOM 461 O SER A 33 -2.275 -2.366 -6.838 1.00 0.00 O ATOM 462 CB SER A 33 -4.568 -1.630 -8.488 1.00 0.00 C ATOM 463 OG SER A 33 -5.420 -1.332 -9.591 1.00 0.00 O ATOM 0 H SER A 33 -4.482 -4.143 -7.524 1.00 0.00 H new ATOM 0 HA SER A 33 -3.386 -2.732 -9.884 1.00 0.00 H new ATOM 0 HB2 SER A 33 -5.174 -1.915 -7.628 1.00 0.00 H new ATOM 0 HB3 SER A 33 -4.014 -0.735 -8.205 1.00 0.00 H new ATOM 0 HG SER A 33 -6.034 -0.610 -9.344 1.00 0.00 H new ATOM 469 N THR A 34 -1.180 -2.580 -8.805 1.00 0.00 N ATOM 470 CA THR A 34 0.137 -2.397 -8.219 1.00 0.00 C ATOM 471 C THR A 34 0.289 -0.972 -7.682 1.00 0.00 C ATOM 472 O THR A 34 0.125 -0.005 -8.424 1.00 0.00 O ATOM 473 CB THR A 34 1.180 -2.761 -9.278 1.00 0.00 C ATOM 474 OG1 THR A 34 0.942 -4.142 -9.539 1.00 0.00 O ATOM 475 CG2 THR A 34 2.608 -2.728 -8.729 1.00 0.00 C ATOM 0 H THR A 34 -1.181 -2.731 -9.814 1.00 0.00 H new ATOM 0 HA THR A 34 0.282 -3.052 -7.360 1.00 0.00 H new ATOM 0 HB THR A 34 1.098 -2.073 -10.119 1.00 0.00 H new ATOM 0 HG1 THR A 34 1.574 -4.460 -10.217 1.00 0.00 H new ATOM 0 HG21 THR A 34 3.308 -2.994 -9.521 1.00 0.00 H new ATOM 0 HG22 THR A 34 2.835 -1.726 -8.365 1.00 0.00 H new ATOM 0 HG23 THR A 34 2.699 -3.441 -7.909 1.00 0.00 H new ATOM 483 N ILE A 35 0.599 -0.889 -6.397 1.00 0.00 N ATOM 484 CA ILE A 35 0.775 0.401 -5.752 1.00 0.00 C ATOM 485 C ILE A 35 2.260 0.621 -5.456 1.00 0.00 C ATOM 486 O ILE A 35 2.761 0.183 -4.422 1.00 0.00 O ATOM 487 CB ILE A 35 -0.121 0.509 -4.516 1.00 0.00 C ATOM 488 CG1 ILE A 35 -1.598 0.395 -4.898 1.00 0.00 C ATOM 489 CG2 ILE A 35 0.172 1.792 -3.736 1.00 0.00 C ATOM 490 CD1 ILE A 35 -2.235 -0.843 -4.263 1.00 0.00 C ATOM 0 H ILE A 35 0.733 -1.694 -5.785 1.00 0.00 H new ATOM 0 HA ILE A 35 0.460 1.205 -6.417 1.00 0.00 H new ATOM 0 HB ILE A 35 0.106 -0.328 -3.856 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -2.131 1.289 -4.574 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.694 0.342 -5.982 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.478 1.844 -2.863 1.00 0.00 H new ATOM 0 HG22 ILE A 35 1.213 1.792 -3.413 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.010 2.656 -4.375 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -3.285 -0.900 -4.551 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.715 -1.737 -4.608 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.159 -0.775 -3.178 1.00 0.00 H new ATOM 502 N ARG A 36 2.921 1.299 -6.383 1.00 0.00 N ATOM 503 CA ARG A 36 4.338 1.582 -6.234 1.00 0.00 C ATOM 504 C ARG A 36 4.548 2.750 -5.267 1.00 0.00 C ATOM 505 O ARG A 36 4.276 3.900 -5.609 1.00 0.00 O ATOM 506 CB ARG A 36 4.976 1.925 -7.582 1.00 0.00 C ATOM 507 CG ARG A 36 4.813 0.771 -8.574 1.00 0.00 C ATOM 508 CD ARG A 36 4.454 1.293 -9.967 1.00 0.00 C ATOM 509 NE ARG A 36 5.441 0.809 -10.958 1.00 0.00 N ATOM 510 CZ ARG A 36 5.592 1.331 -12.183 1.00 0.00 C ATOM 511 NH1 ARG A 36 4.822 2.355 -12.575 1.00 0.00 N ATOM 512 NH2 ARG A 36 6.513 0.828 -13.016 1.00 0.00 N ATOM 0 H ARG A 36 2.501 1.660 -7.240 1.00 0.00 H new ATOM 0 HA ARG A 36 4.815 0.686 -5.836 1.00 0.00 H new ATOM 0 HB2 ARG A 36 4.516 2.826 -7.988 1.00 0.00 H new ATOM 0 HB3 ARG A 36 6.035 2.143 -7.443 1.00 0.00 H new ATOM 0 HG2 ARG A 36 5.738 0.196 -8.624 1.00 0.00 H new ATOM 0 HG3 ARG A 36 4.035 0.093 -8.224 1.00 0.00 H new ATOM 0 HD2 ARG A 36 3.454 0.958 -10.244 1.00 0.00 H new ATOM 0 HD3 ARG A 36 4.435 2.383 -9.962 1.00 0.00 H new ATOM 0 HE ARG A 36 6.043 0.030 -10.692 1.00 0.00 H new ATOM 0 HH11 ARG A 36 4.121 2.738 -11.941 1.00 0.00 H new ATOM 0 HH12 ARG A 36 4.937 2.752 -13.507 1.00 0.00 H new ATOM 0 HH21 ARG A 36 7.099 0.048 -12.718 1.00 0.00 H new ATOM 0 HH22 ARG A 36 6.628 1.225 -13.948 1.00 0.00 H new ATOM 526 N VAL A 37 5.030 2.414 -4.080 1.00 0.00 N ATOM 527 CA VAL A 37 5.279 3.420 -3.061 1.00 0.00 C ATOM 528 C VAL A 37 6.725 3.908 -3.175 1.00 0.00 C ATOM 529 O VAL A 37 7.661 3.124 -3.029 1.00 0.00 O ATOM 530 CB VAL A 37 4.945 2.858 -1.678 1.00 0.00 C ATOM 531 CG1 VAL A 37 5.097 3.931 -0.599 1.00 0.00 C ATOM 532 CG2 VAL A 37 3.540 2.253 -1.656 1.00 0.00 C ATOM 0 H VAL A 37 5.255 1.459 -3.801 1.00 0.00 H new ATOM 0 HA VAL A 37 4.631 4.284 -3.211 1.00 0.00 H new ATOM 0 HB VAL A 37 5.656 2.061 -1.460 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.854 3.505 0.374 1.00 0.00 H new ATOM 0 HG12 VAL A 37 6.125 4.294 -0.589 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.421 4.759 -0.812 1.00 0.00 H new ATOM 0 HG21 VAL A 37 3.328 1.861 -0.661 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.809 3.022 -1.906 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.480 1.445 -2.385 1.00 0.00 H new ATOM 542 N GLY A 38 6.861 5.199 -3.436 1.00 0.00 N ATOM 543 CA GLY A 38 8.176 5.801 -3.572 1.00 0.00 C ATOM 544 C GLY A 38 8.253 7.128 -2.814 1.00 0.00 C ATOM 545 O GLY A 38 7.620 7.289 -1.772 1.00 0.00 O ATOM 0 H GLY A 38 6.082 5.846 -3.557 1.00 0.00 H new ATOM 0 HA2 GLY A 38 8.934 5.116 -3.192 1.00 0.00 H new ATOM 0 HA3 GLY A 38 8.396 5.967 -4.626 1.00 0.00 H new ATOM 549 N ARG A 39 9.035 8.044 -3.367 1.00 0.00 N ATOM 550 CA ARG A 39 9.203 9.352 -2.755 1.00 0.00 C ATOM 551 C ARG A 39 8.664 10.443 -3.682 1.00 0.00 C ATOM 552 O ARG A 39 8.538 11.599 -3.278 1.00 0.00 O ATOM 553 CB ARG A 39 10.676 9.632 -2.451 1.00 0.00 C ATOM 554 CG ARG A 39 10.892 11.105 -2.100 1.00 0.00 C ATOM 555 CD ARG A 39 12.301 11.337 -1.549 1.00 0.00 C ATOM 556 NE ARG A 39 12.899 12.536 -2.177 1.00 0.00 N ATOM 557 CZ ARG A 39 14.203 12.839 -2.124 1.00 0.00 C ATOM 558 NH1 ARG A 39 15.053 12.034 -1.473 1.00 0.00 N ATOM 559 NH2 ARG A 39 14.658 13.949 -2.723 1.00 0.00 N ATOM 0 H ARG A 39 9.559 7.907 -4.231 1.00 0.00 H new ATOM 0 HA ARG A 39 8.644 9.356 -1.819 1.00 0.00 H new ATOM 0 HB2 ARG A 39 11.006 9.005 -1.623 1.00 0.00 H new ATOM 0 HB3 ARG A 39 11.286 9.367 -3.314 1.00 0.00 H new ATOM 0 HG2 ARG A 39 10.739 11.720 -2.987 1.00 0.00 H new ATOM 0 HG3 ARG A 39 10.153 11.419 -1.363 1.00 0.00 H new ATOM 0 HD2 ARG A 39 12.261 11.465 -0.467 1.00 0.00 H new ATOM 0 HD3 ARG A 39 12.925 10.465 -1.744 1.00 0.00 H new ATOM 0 HE ARG A 39 12.280 13.171 -2.681 1.00 0.00 H new ATOM 0 HH11 ARG A 39 14.708 11.189 -1.017 1.00 0.00 H new ATOM 0 HH12 ARG A 39 16.046 12.266 -1.433 1.00 0.00 H new ATOM 0 HH21 ARG A 39 14.011 14.563 -3.219 1.00 0.00 H new ATOM 0 HH22 ARG A 39 15.651 14.180 -2.683 1.00 0.00 H new ATOM 573 N ILE A 40 8.360 10.039 -4.907 1.00 0.00 N ATOM 574 CA ILE A 40 7.838 10.969 -5.894 1.00 0.00 C ATOM 575 C ILE A 40 6.572 10.382 -6.521 1.00 0.00 C ATOM 576 O ILE A 40 6.601 9.285 -7.076 1.00 0.00 O ATOM 577 CB ILE A 40 8.919 11.331 -6.914 1.00 0.00 C ATOM 578 CG1 ILE A 40 9.627 10.076 -7.430 1.00 0.00 C ATOM 579 CG2 ILE A 40 9.904 12.346 -6.332 1.00 0.00 C ATOM 580 CD1 ILE A 40 10.331 10.352 -8.761 1.00 0.00 C ATOM 0 H ILE A 40 8.465 9.080 -5.238 1.00 0.00 H new ATOM 0 HA ILE A 40 7.554 11.908 -5.420 1.00 0.00 H new ATOM 0 HB ILE A 40 8.437 11.804 -7.770 1.00 0.00 H new ATOM 0 HG12 ILE A 40 10.355 9.736 -6.693 1.00 0.00 H new ATOM 0 HG13 ILE A 40 8.902 9.272 -7.558 1.00 0.00 H new ATOM 0 HG21 ILE A 40 10.662 12.586 -7.078 1.00 0.00 H new ATOM 0 HG22 ILE A 40 9.369 13.254 -6.053 1.00 0.00 H new ATOM 0 HG23 ILE A 40 10.384 11.922 -5.450 1.00 0.00 H new ATOM 0 HD11 ILE A 40 10.826 9.444 -9.106 1.00 0.00 H new ATOM 0 HD12 ILE A 40 9.597 10.669 -9.502 1.00 0.00 H new ATOM 0 HD13 ILE A 40 11.072 11.140 -8.624 1.00 0.00 H new ATOM 592 N VAL A 41 5.490 11.139 -6.412 1.00 0.00 N ATOM 593 CA VAL A 41 4.216 10.708 -6.962 1.00 0.00 C ATOM 594 C VAL A 41 4.382 10.419 -8.455 1.00 0.00 C ATOM 595 O VAL A 41 3.669 9.585 -9.012 1.00 0.00 O ATOM 596 CB VAL A 41 3.139 11.755 -6.671 1.00 0.00 C ATOM 597 CG1 VAL A 41 2.692 11.691 -5.209 1.00 0.00 C ATOM 598 CG2 VAL A 41 3.628 13.159 -7.034 1.00 0.00 C ATOM 0 H VAL A 41 5.469 12.049 -5.951 1.00 0.00 H new ATOM 0 HA VAL A 41 3.888 9.784 -6.487 1.00 0.00 H new ATOM 0 HB VAL A 41 2.275 11.529 -7.295 1.00 0.00 H new ATOM 0 HG11 VAL A 41 1.926 12.446 -5.029 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.285 10.703 -4.996 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.546 11.879 -4.559 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.844 13.885 -6.818 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.515 13.398 -6.448 1.00 0.00 H new ATOM 0 HG23 VAL A 41 3.873 13.196 -8.095 1.00 0.00 H new ATOM 608 N ARG A 42 5.326 11.124 -9.060 1.00 0.00 N ATOM 609 CA ARG A 42 5.594 10.953 -10.478 1.00 0.00 C ATOM 610 C ARG A 42 5.347 9.502 -10.894 1.00 0.00 C ATOM 611 O ARG A 42 4.239 9.146 -11.292 1.00 0.00 O ATOM 612 CB ARG A 42 7.037 11.335 -10.816 1.00 0.00 C ATOM 613 CG ARG A 42 7.119 12.780 -11.314 1.00 0.00 C ATOM 614 CD ARG A 42 7.950 13.642 -10.362 1.00 0.00 C ATOM 615 NE ARG A 42 7.404 15.016 -10.317 1.00 0.00 N ATOM 616 CZ ARG A 42 7.712 15.977 -11.199 1.00 0.00 C ATOM 617 NH1 ARG A 42 8.564 15.718 -12.200 1.00 0.00 N ATOM 618 NH2 ARG A 42 7.168 17.196 -11.080 1.00 0.00 N ATOM 0 H ARG A 42 5.915 11.815 -8.595 1.00 0.00 H new ATOM 0 HA ARG A 42 4.918 11.611 -11.025 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.665 11.214 -9.933 1.00 0.00 H new ATOM 0 HB3 ARG A 42 7.426 10.661 -11.579 1.00 0.00 H new ATOM 0 HG2 ARG A 42 7.562 12.801 -12.310 1.00 0.00 H new ATOM 0 HG3 ARG A 42 6.115 13.195 -11.403 1.00 0.00 H new ATOM 0 HD2 ARG A 42 7.943 13.206 -9.363 1.00 0.00 H new ATOM 0 HD3 ARG A 42 8.989 13.665 -10.692 1.00 0.00 H new ATOM 0 HE ARG A 42 6.752 15.247 -9.567 1.00 0.00 H new ATOM 0 HH11 ARG A 42 8.978 14.790 -12.290 1.00 0.00 H new ATOM 0 HH12 ARG A 42 8.799 16.449 -12.872 1.00 0.00 H new ATOM 0 HH21 ARG A 42 6.519 17.393 -10.318 1.00 0.00 H new ATOM 0 HH22 ARG A 42 7.403 17.927 -11.752 1.00 0.00 H new ATOM 632 N GLY A 43 6.399 8.702 -10.788 1.00 0.00 N ATOM 633 CA GLY A 43 6.310 7.298 -11.148 1.00 0.00 C ATOM 634 C GLY A 43 6.128 6.423 -9.906 1.00 0.00 C ATOM 635 O GLY A 43 6.946 5.545 -9.635 1.00 0.00 O ATOM 0 H GLY A 43 7.317 9.000 -10.458 1.00 0.00 H new ATOM 0 HA2 GLY A 43 5.473 7.146 -11.830 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.213 6.997 -11.680 1.00 0.00 H new ATOM 639 N ASN A 44 5.051 6.694 -9.184 1.00 0.00 N ATOM 640 CA ASN A 44 4.751 5.943 -7.977 1.00 0.00 C ATOM 641 C ASN A 44 3.297 6.197 -7.571 1.00 0.00 C ATOM 642 O ASN A 44 2.832 7.336 -7.597 1.00 0.00 O ATOM 643 CB ASN A 44 5.648 6.382 -6.818 1.00 0.00 C ATOM 644 CG ASN A 44 7.119 6.087 -7.121 1.00 0.00 C ATOM 645 OD1 ASN A 44 7.513 4.960 -7.373 1.00 0.00 O ATOM 646 ND2 ASN A 44 7.904 7.159 -7.083 1.00 0.00 N ATOM 0 H ASN A 44 4.375 7.423 -9.412 1.00 0.00 H new ATOM 0 HA ASN A 44 4.922 4.887 -8.186 1.00 0.00 H new ATOM 0 HB2 ASN A 44 5.517 7.449 -6.636 1.00 0.00 H new ATOM 0 HB3 ASN A 44 5.350 5.864 -5.906 1.00 0.00 H new ATOM 0 HD21 ASN A 44 8.902 7.067 -7.272 1.00 0.00 H new ATOM 0 HD22 ASN A 44 7.508 8.074 -6.865 1.00 0.00 H new ATOM 653 N GLU A 45 2.621 5.118 -7.206 1.00 0.00 N ATOM 654 CA GLU A 45 1.230 5.210 -6.795 1.00 0.00 C ATOM 655 C GLU A 45 1.100 6.096 -5.555 1.00 0.00 C ATOM 656 O GLU A 45 0.118 6.821 -5.406 1.00 0.00 O ATOM 657 CB GLU A 45 0.641 3.821 -6.541 1.00 0.00 C ATOM 658 CG GLU A 45 -0.832 3.767 -6.952 1.00 0.00 C ATOM 659 CD GLU A 45 -0.983 3.246 -8.383 1.00 0.00 C ATOM 660 OE1 GLU A 45 -0.163 3.665 -9.229 1.00 0.00 O ATOM 661 OE2 GLU A 45 -1.914 2.441 -8.599 1.00 0.00 O ATOM 0 H GLU A 45 3.010 4.175 -7.186 1.00 0.00 H new ATOM 0 HA GLU A 45 0.662 5.667 -7.605 1.00 0.00 H new ATOM 0 HB2 GLU A 45 1.206 3.075 -7.100 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.737 3.569 -5.485 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -1.381 3.122 -6.266 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -1.272 4.761 -6.875 1.00 0.00 H new ATOM 668 N ILE A 46 2.105 6.009 -4.696 1.00 0.00 N ATOM 669 CA ILE A 46 2.116 6.794 -3.474 1.00 0.00 C ATOM 670 C ILE A 46 3.530 7.321 -3.223 1.00 0.00 C ATOM 671 O ILE A 46 4.504 6.580 -3.347 1.00 0.00 O ATOM 672 CB ILE A 46 1.548 5.980 -2.309 1.00 0.00 C ATOM 673 CG1 ILE A 46 0.121 5.515 -2.610 1.00 0.00 C ATOM 674 CG2 ILE A 46 1.631 6.765 -0.999 1.00 0.00 C ATOM 675 CD1 ILE A 46 -0.339 4.466 -1.595 1.00 0.00 C ATOM 0 H ILE A 46 2.918 5.406 -4.823 1.00 0.00 H new ATOM 0 HA ILE A 46 1.465 7.662 -3.574 1.00 0.00 H new ATOM 0 HB ILE A 46 2.159 5.086 -2.187 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.556 6.369 -2.588 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.075 5.098 -3.616 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.221 6.164 -0.188 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.672 7.003 -0.783 1.00 0.00 H new ATOM 0 HG23 ILE A 46 1.059 7.688 -1.091 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.356 4.152 -1.831 1.00 0.00 H new ATOM 0 HD12 ILE A 46 0.326 3.603 -1.637 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -0.315 4.894 -0.593 1.00 0.00 H new ATOM 687 N ALA A 47 3.598 8.598 -2.876 1.00 0.00 N ATOM 688 CA ALA A 47 4.877 9.233 -2.607 1.00 0.00 C ATOM 689 C ALA A 47 4.844 9.867 -1.215 1.00 0.00 C ATOM 690 O ALA A 47 3.853 10.489 -0.835 1.00 0.00 O ATOM 691 CB ALA A 47 5.180 10.255 -3.705 1.00 0.00 C ATOM 0 H ALA A 47 2.788 9.210 -2.775 1.00 0.00 H new ATOM 0 HA ALA A 47 5.680 8.496 -2.615 1.00 0.00 H new ATOM 0 HB1 ALA A 47 6.139 10.732 -3.504 1.00 0.00 H new ATOM 0 HB2 ALA A 47 5.221 9.751 -4.670 1.00 0.00 H new ATOM 0 HB3 ALA A 47 4.396 11.012 -3.724 1.00 0.00 H new ATOM 697 N ILE A 48 5.939 9.687 -0.492 1.00 0.00 N ATOM 698 CA ILE A 48 6.048 10.233 0.850 1.00 0.00 C ATOM 699 C ILE A 48 7.274 11.145 0.927 1.00 0.00 C ATOM 700 O ILE A 48 8.364 10.764 0.501 1.00 0.00 O ATOM 701 CB ILE A 48 6.052 9.109 1.888 1.00 0.00 C ATOM 702 CG1 ILE A 48 4.769 8.280 1.803 1.00 0.00 C ATOM 703 CG2 ILE A 48 6.285 9.662 3.295 1.00 0.00 C ATOM 704 CD1 ILE A 48 5.070 6.787 1.944 1.00 0.00 C ATOM 0 H ILE A 48 6.759 9.171 -0.810 1.00 0.00 H new ATOM 0 HA ILE A 48 5.178 10.847 1.083 1.00 0.00 H new ATOM 0 HB ILE A 48 6.883 8.440 1.664 1.00 0.00 H new ATOM 0 HG12 ILE A 48 4.078 8.591 2.587 1.00 0.00 H new ATOM 0 HG13 ILE A 48 4.274 8.466 0.850 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.283 8.842 4.013 1.00 0.00 H new ATOM 0 HG22 ILE A 48 7.247 10.173 3.330 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.491 10.366 3.546 1.00 0.00 H new ATOM 0 HD11 ILE A 48 4.141 6.221 1.880 1.00 0.00 H new ATOM 0 HD12 ILE A 48 5.741 6.474 1.144 1.00 0.00 H new ATOM 0 HD13 ILE A 48 5.543 6.601 2.908 1.00 0.00 H new ATOM 716 N LYS A 49 7.056 12.333 1.473 1.00 0.00 N ATOM 717 CA LYS A 49 8.129 13.302 1.611 1.00 0.00 C ATOM 718 C LYS A 49 8.785 13.139 2.984 1.00 0.00 C ATOM 719 O LYS A 49 8.664 14.013 3.841 1.00 0.00 O ATOM 720 CB LYS A 49 7.613 14.716 1.340 1.00 0.00 C ATOM 721 CG LYS A 49 7.381 14.939 -0.156 1.00 0.00 C ATOM 722 CD LYS A 49 8.672 15.373 -0.852 1.00 0.00 C ATOM 723 CE LYS A 49 9.089 14.357 -1.917 1.00 0.00 C ATOM 724 NZ LYS A 49 9.679 15.045 -3.087 1.00 0.00 N ATOM 0 H LYS A 49 6.151 12.646 1.825 1.00 0.00 H new ATOM 0 HA LYS A 49 8.903 13.122 0.864 1.00 0.00 H new ATOM 0 HB2 LYS A 49 6.682 14.878 1.884 1.00 0.00 H new ATOM 0 HB3 LYS A 49 8.331 15.446 1.713 1.00 0.00 H new ATOM 0 HG2 LYS A 49 7.009 14.021 -0.611 1.00 0.00 H new ATOM 0 HG3 LYS A 49 6.613 15.699 -0.299 1.00 0.00 H new ATOM 0 HD2 LYS A 49 8.530 16.351 -1.313 1.00 0.00 H new ATOM 0 HD3 LYS A 49 9.468 15.480 -0.115 1.00 0.00 H new ATOM 0 HE2 LYS A 49 9.811 13.657 -1.497 1.00 0.00 H new ATOM 0 HE3 LYS A 49 8.223 13.773 -2.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 9.957 14.341 -3.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 8.979 15.695 -3.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 10.517 15.583 -2.787 1.00 0.00 H new ATOM 738 N ASP A 50 9.464 12.014 3.150 1.00 0.00 N ATOM 739 CA ASP A 50 10.139 11.725 4.404 1.00 0.00 C ATOM 740 C ASP A 50 11.648 11.659 4.163 1.00 0.00 C ATOM 741 O ASP A 50 12.430 11.590 5.110 1.00 0.00 O ATOM 742 CB ASP A 50 9.692 10.377 4.972 1.00 0.00 C ATOM 743 CG ASP A 50 10.548 9.844 6.123 1.00 0.00 C ATOM 744 OD1 ASP A 50 11.043 10.688 6.900 1.00 0.00 O ATOM 745 OD2 ASP A 50 10.688 8.604 6.199 1.00 0.00 O ATOM 0 H ASP A 50 9.561 11.291 2.437 1.00 0.00 H new ATOM 0 HA ASP A 50 9.889 12.516 5.111 1.00 0.00 H new ATOM 0 HB2 ASP A 50 8.662 10.469 5.317 1.00 0.00 H new ATOM 0 HB3 ASP A 50 9.694 9.642 4.167 1.00 0.00 H new ATOM 750 N ALA A 51 12.013 11.682 2.889 1.00 0.00 N ATOM 751 CA ALA A 51 13.415 11.626 2.511 1.00 0.00 C ATOM 752 C ALA A 51 13.903 10.178 2.593 1.00 0.00 C ATOM 753 O ALA A 51 14.411 9.634 1.613 1.00 0.00 O ATOM 754 CB ALA A 51 14.224 12.565 3.409 1.00 0.00 C ATOM 0 H ALA A 51 11.362 11.739 2.106 1.00 0.00 H new ATOM 0 HA ALA A 51 13.549 11.962 1.483 1.00 0.00 H new ATOM 0 HB1 ALA A 51 15.276 12.523 3.126 1.00 0.00 H new ATOM 0 HB2 ALA A 51 13.857 13.585 3.293 1.00 0.00 H new ATOM 0 HB3 ALA A 51 14.116 12.257 4.449 1.00 0.00 H new ATOM 760 N GLY A 52 13.732 9.595 3.770 1.00 0.00 N ATOM 761 CA GLY A 52 14.149 8.220 3.992 1.00 0.00 C ATOM 762 C GLY A 52 13.690 7.317 2.846 1.00 0.00 C ATOM 763 O GLY A 52 14.283 6.266 2.604 1.00 0.00 O ATOM 0 H GLY A 52 13.310 10.049 4.580 1.00 0.00 H new ATOM 0 HA2 GLY A 52 15.234 8.175 4.083 1.00 0.00 H new ATOM 0 HA3 GLY A 52 13.735 7.858 4.933 1.00 0.00 H new ATOM 767 N ILE A 53 12.639 7.758 2.171 1.00 0.00 N ATOM 768 CA ILE A 53 12.095 7.002 1.056 1.00 0.00 C ATOM 769 C ILE A 53 12.715 7.507 -0.248 1.00 0.00 C ATOM 770 O ILE A 53 12.907 8.709 -0.424 1.00 0.00 O ATOM 771 CB ILE A 53 10.566 7.053 1.070 1.00 0.00 C ATOM 772 CG1 ILE A 53 10.014 6.611 2.427 1.00 0.00 C ATOM 773 CG2 ILE A 53 9.979 6.235 -0.082 1.00 0.00 C ATOM 774 CD1 ILE A 53 8.808 7.460 2.832 1.00 0.00 C ATOM 0 H ILE A 53 12.150 8.629 2.375 1.00 0.00 H new ATOM 0 HA ILE A 53 12.357 5.948 1.146 1.00 0.00 H new ATOM 0 HB ILE A 53 10.258 8.088 0.919 1.00 0.00 H new ATOM 0 HG12 ILE A 53 9.725 5.561 2.381 1.00 0.00 H new ATOM 0 HG13 ILE A 53 10.793 6.695 3.185 1.00 0.00 H new ATOM 0 HG21 ILE A 53 8.891 6.288 -0.049 1.00 0.00 H new ATOM 0 HG22 ILE A 53 10.333 6.637 -1.031 1.00 0.00 H new ATOM 0 HG23 ILE A 53 10.294 5.196 0.012 1.00 0.00 H new ATOM 0 HD11 ILE A 53 8.436 7.125 3.800 1.00 0.00 H new ATOM 0 HD12 ILE A 53 9.106 8.506 2.901 1.00 0.00 H new ATOM 0 HD13 ILE A 53 8.022 7.355 2.085 1.00 0.00 H new ATOM 786 N SER A 54 13.012 6.563 -1.129 1.00 0.00 N ATOM 787 CA SER A 54 13.606 6.896 -2.412 1.00 0.00 C ATOM 788 C SER A 54 12.557 6.786 -3.520 1.00 0.00 C ATOM 789 O SER A 54 11.557 6.087 -3.366 1.00 0.00 O ATOM 790 CB SER A 54 14.799 5.989 -2.719 1.00 0.00 C ATOM 791 OG SER A 54 15.801 6.662 -3.478 1.00 0.00 O ATOM 0 H SER A 54 12.852 5.567 -0.979 1.00 0.00 H new ATOM 0 HA SER A 54 13.968 7.923 -2.364 1.00 0.00 H new ATOM 0 HB2 SER A 54 15.232 5.631 -1.785 1.00 0.00 H new ATOM 0 HB3 SER A 54 14.456 5.112 -3.268 1.00 0.00 H new ATOM 0 HG SER A 54 16.546 6.050 -3.652 1.00 0.00 H new ATOM 797 N THR A 55 12.821 7.487 -4.613 1.00 0.00 N ATOM 798 CA THR A 55 11.912 7.477 -5.747 1.00 0.00 C ATOM 799 C THR A 55 11.321 6.080 -5.944 1.00 0.00 C ATOM 800 O THR A 55 10.103 5.920 -6.011 1.00 0.00 O ATOM 801 CB THR A 55 12.674 7.993 -6.969 1.00 0.00 C ATOM 802 OG1 THR A 55 13.899 7.266 -6.946 1.00 0.00 O ATOM 803 CG2 THR A 55 13.104 9.453 -6.817 1.00 0.00 C ATOM 0 H THR A 55 13.652 8.066 -4.737 1.00 0.00 H new ATOM 0 HA THR A 55 11.060 8.135 -5.577 1.00 0.00 H new ATOM 0 HB THR A 55 12.050 7.889 -7.857 1.00 0.00 H new ATOM 0 HG1 THR A 55 14.455 7.537 -7.706 1.00 0.00 H new ATOM 0 HG21 THR A 55 13.641 9.769 -7.711 1.00 0.00 H new ATOM 0 HG22 THR A 55 12.222 10.080 -6.682 1.00 0.00 H new ATOM 0 HG23 THR A 55 13.756 9.552 -5.949 1.00 0.00 H new ATOM 811 N LYS A 56 12.212 5.103 -6.032 1.00 0.00 N ATOM 812 CA LYS A 56 11.794 3.724 -6.220 1.00 0.00 C ATOM 813 C LYS A 56 12.208 2.899 -5.000 1.00 0.00 C ATOM 814 O LYS A 56 13.093 2.050 -5.091 1.00 0.00 O ATOM 815 CB LYS A 56 12.333 3.177 -7.543 1.00 0.00 C ATOM 816 CG LYS A 56 11.550 3.742 -8.730 1.00 0.00 C ATOM 817 CD LYS A 56 12.425 4.674 -9.570 1.00 0.00 C ATOM 818 CE LYS A 56 11.567 5.628 -10.405 1.00 0.00 C ATOM 819 NZ LYS A 56 12.382 6.269 -11.461 1.00 0.00 N ATOM 0 H LYS A 56 13.221 5.239 -5.977 1.00 0.00 H new ATOM 0 HA LYS A 56 10.708 3.662 -6.294 1.00 0.00 H new ATOM 0 HB2 LYS A 56 13.388 3.433 -7.644 1.00 0.00 H new ATOM 0 HB3 LYS A 56 12.267 2.089 -7.544 1.00 0.00 H new ATOM 0 HG2 LYS A 56 11.183 2.924 -9.351 1.00 0.00 H new ATOM 0 HG3 LYS A 56 10.676 4.285 -8.369 1.00 0.00 H new ATOM 0 HD2 LYS A 56 13.083 5.248 -8.917 1.00 0.00 H new ATOM 0 HD3 LYS A 56 13.064 4.084 -10.227 1.00 0.00 H new ATOM 0 HE2 LYS A 56 10.740 5.081 -10.858 1.00 0.00 H new ATOM 0 HE3 LYS A 56 11.130 6.391 -9.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 11.784 6.913 -12.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 13.156 6.807 -11.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 12.779 5.538 -12.085 1.00 0.00 H new ATOM 833 N HIS A 57 11.547 3.178 -3.885 1.00 0.00 N ATOM 834 CA HIS A 57 11.835 2.472 -2.648 1.00 0.00 C ATOM 835 C HIS A 57 11.364 1.021 -2.764 1.00 0.00 C ATOM 836 O HIS A 57 12.175 0.096 -2.729 1.00 0.00 O ATOM 837 CB HIS A 57 11.222 3.201 -1.451 1.00 0.00 C ATOM 838 CG HIS A 57 11.584 2.599 -0.114 1.00 0.00 C ATOM 839 ND1 HIS A 57 12.096 3.348 0.931 1.00 0.00 N ATOM 840 CD2 HIS A 57 11.501 1.315 0.336 1.00 0.00 C ATOM 841 CE1 HIS A 57 12.309 2.540 1.959 1.00 0.00 C ATOM 842 NE2 HIS A 57 11.940 1.280 1.588 1.00 0.00 N ATOM 0 H HIS A 57 10.813 3.883 -3.813 1.00 0.00 H new ATOM 0 HA HIS A 57 12.911 2.455 -2.476 1.00 0.00 H new ATOM 0 HB2 HIS A 57 11.545 4.242 -1.469 1.00 0.00 H new ATOM 0 HB3 HIS A 57 10.137 3.202 -1.556 1.00 0.00 H new ATOM 0 HD2 HIS A 57 11.139 0.469 -0.230 1.00 0.00 H new ATOM 0 HE1 HIS A 57 12.705 2.828 2.922 1.00 0.00 H new ATOM 0 HE2 HIS A 57 11.993 0.448 2.176 1.00 0.00 H new ATOM 850 N LEU A 58 10.055 0.866 -2.899 1.00 0.00 N ATOM 851 CA LEU A 58 9.467 -0.457 -3.019 1.00 0.00 C ATOM 852 C LEU A 58 8.159 -0.358 -3.807 1.00 0.00 C ATOM 853 O LEU A 58 7.690 0.740 -4.105 1.00 0.00 O ATOM 854 CB LEU A 58 9.307 -1.100 -1.640 1.00 0.00 C ATOM 855 CG LEU A 58 8.535 -0.282 -0.604 1.00 0.00 C ATOM 856 CD1 LEU A 58 7.243 0.281 -1.201 1.00 0.00 C ATOM 857 CD2 LEU A 58 8.272 -1.104 0.659 1.00 0.00 C ATOM 0 H LEU A 58 9.385 1.635 -2.928 1.00 0.00 H new ATOM 0 HA LEU A 58 10.128 -1.119 -3.578 1.00 0.00 H new ATOM 0 HB2 LEU A 58 8.804 -2.059 -1.764 1.00 0.00 H new ATOM 0 HB3 LEU A 58 10.300 -1.310 -1.242 1.00 0.00 H new ATOM 0 HG LEU A 58 9.152 0.568 -0.312 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.713 0.858 -0.443 1.00 0.00 H new ATOM 0 HD12 LEU A 58 7.484 0.926 -2.046 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.611 -0.540 -1.539 1.00 0.00 H new ATOM 0 HD21 LEU A 58 7.722 -0.499 1.379 1.00 0.00 H new ATOM 0 HD22 LEU A 58 7.685 -1.986 0.403 1.00 0.00 H new ATOM 0 HD23 LEU A 58 9.221 -1.414 1.096 1.00 0.00 H new ATOM 869 N ARG A 59 7.606 -1.520 -4.122 1.00 0.00 N ATOM 870 CA ARG A 59 6.361 -1.579 -4.869 1.00 0.00 C ATOM 871 C ARG A 59 5.401 -2.580 -4.224 1.00 0.00 C ATOM 872 O ARG A 59 5.831 -3.600 -3.686 1.00 0.00 O ATOM 873 CB ARG A 59 6.610 -1.985 -6.323 1.00 0.00 C ATOM 874 CG ARG A 59 6.829 -3.495 -6.440 1.00 0.00 C ATOM 875 CD ARG A 59 7.469 -3.854 -7.783 1.00 0.00 C ATOM 876 NE ARG A 59 8.169 -5.154 -7.679 1.00 0.00 N ATOM 877 CZ ARG A 59 8.567 -5.879 -8.733 1.00 0.00 C ATOM 878 NH1 ARG A 59 8.338 -5.435 -9.976 1.00 0.00 N ATOM 879 NH2 ARG A 59 9.196 -7.047 -8.543 1.00 0.00 N ATOM 0 H ARG A 59 7.997 -2.428 -3.873 1.00 0.00 H new ATOM 0 HA ARG A 59 5.917 -0.584 -4.853 1.00 0.00 H new ATOM 0 HB2 ARG A 59 5.760 -1.688 -6.938 1.00 0.00 H new ATOM 0 HB3 ARG A 59 7.482 -1.456 -6.708 1.00 0.00 H new ATOM 0 HG2 ARG A 59 7.467 -3.838 -5.626 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.876 -4.013 -6.337 1.00 0.00 H new ATOM 0 HD2 ARG A 59 6.704 -3.905 -8.558 1.00 0.00 H new ATOM 0 HD3 ARG A 59 8.172 -3.076 -8.080 1.00 0.00 H new ATOM 0 HE ARG A 59 8.360 -5.521 -6.747 1.00 0.00 H new ATOM 0 HH11 ARG A 59 7.861 -4.545 -10.120 1.00 0.00 H new ATOM 0 HH12 ARG A 59 8.641 -5.987 -10.779 1.00 0.00 H new ATOM 0 HH21 ARG A 59 9.372 -7.384 -7.596 1.00 0.00 H new ATOM 0 HH22 ARG A 59 9.499 -7.599 -9.345 1.00 0.00 H new ATOM 893 N ILE A 60 4.119 -2.255 -4.298 1.00 0.00 N ATOM 894 CA ILE A 60 3.095 -3.113 -3.728 1.00 0.00 C ATOM 895 C ILE A 60 2.276 -3.743 -4.857 1.00 0.00 C ATOM 896 O ILE A 60 1.875 -3.056 -5.796 1.00 0.00 O ATOM 897 CB ILE A 60 2.250 -2.339 -2.714 1.00 0.00 C ATOM 898 CG1 ILE A 60 3.085 -1.941 -1.496 1.00 0.00 C ATOM 899 CG2 ILE A 60 1.003 -3.133 -2.320 1.00 0.00 C ATOM 900 CD1 ILE A 60 2.279 -1.051 -0.546 1.00 0.00 C ATOM 0 H ILE A 60 3.766 -1.409 -4.744 1.00 0.00 H new ATOM 0 HA ILE A 60 3.551 -3.931 -3.170 1.00 0.00 H new ATOM 0 HB ILE A 60 1.909 -1.417 -3.186 1.00 0.00 H new ATOM 0 HG12 ILE A 60 3.416 -2.836 -0.969 1.00 0.00 H new ATOM 0 HG13 ILE A 60 3.981 -1.413 -1.822 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.420 -2.561 -1.599 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.398 -3.323 -3.206 1.00 0.00 H new ATOM 0 HG23 ILE A 60 1.302 -4.082 -1.874 1.00 0.00 H new ATOM 0 HD11 ILE A 60 2.896 -0.782 0.312 1.00 0.00 H new ATOM 0 HD12 ILE A 60 1.971 -0.146 -1.069 1.00 0.00 H new ATOM 0 HD13 ILE A 60 1.396 -1.591 -0.203 1.00 0.00 H new ATOM 912 N GLU A 61 2.053 -5.043 -4.730 1.00 0.00 N ATOM 913 CA GLU A 61 1.290 -5.772 -5.728 1.00 0.00 C ATOM 914 C GLU A 61 0.414 -6.832 -5.056 1.00 0.00 C ATOM 915 O GLU A 61 0.595 -7.136 -3.878 1.00 0.00 O ATOM 916 CB GLU A 61 2.214 -6.405 -6.770 1.00 0.00 C ATOM 917 CG GLU A 61 3.175 -7.400 -6.118 1.00 0.00 C ATOM 918 CD GLU A 61 2.639 -8.830 -6.221 1.00 0.00 C ATOM 919 OE1 GLU A 61 1.399 -8.976 -6.163 1.00 0.00 O ATOM 920 OE2 GLU A 61 3.480 -9.744 -6.356 1.00 0.00 O ATOM 0 H GLU A 61 2.388 -5.610 -3.951 1.00 0.00 H new ATOM 0 HA GLU A 61 0.640 -5.067 -6.247 1.00 0.00 H new ATOM 0 HB2 GLU A 61 1.618 -6.913 -7.529 1.00 0.00 H new ATOM 0 HB3 GLU A 61 2.782 -5.626 -7.279 1.00 0.00 H new ATOM 0 HG2 GLU A 61 4.150 -7.338 -6.600 1.00 0.00 H new ATOM 0 HG3 GLU A 61 3.320 -7.137 -5.070 1.00 0.00 H new ATOM 927 N SER A 62 -0.517 -7.365 -5.834 1.00 0.00 N ATOM 928 CA SER A 62 -1.421 -8.384 -5.329 1.00 0.00 C ATOM 929 C SER A 62 -1.426 -9.591 -6.270 1.00 0.00 C ATOM 930 O SER A 62 -1.415 -9.432 -7.489 1.00 0.00 O ATOM 931 CB SER A 62 -2.838 -7.831 -5.167 1.00 0.00 C ATOM 932 OG SER A 62 -3.823 -8.858 -5.239 1.00 0.00 O ATOM 0 H SER A 62 -0.665 -7.110 -6.811 1.00 0.00 H new ATOM 0 HA SER A 62 -1.069 -8.699 -4.347 1.00 0.00 H new ATOM 0 HB2 SER A 62 -2.919 -7.317 -4.209 1.00 0.00 H new ATOM 0 HB3 SER A 62 -3.029 -7.090 -5.943 1.00 0.00 H new ATOM 0 HG SER A 62 -3.781 -9.409 -4.430 1.00 0.00 H new ATOM 938 N ASP A 63 -1.444 -10.771 -5.667 1.00 0.00 N ATOM 939 CA ASP A 63 -1.451 -12.004 -6.435 1.00 0.00 C ATOM 940 C ASP A 63 -2.312 -13.044 -5.714 1.00 0.00 C ATOM 941 O ASP A 63 -2.503 -12.964 -4.502 1.00 0.00 O ATOM 942 CB ASP A 63 -0.038 -12.574 -6.574 1.00 0.00 C ATOM 943 CG ASP A 63 0.772 -12.015 -7.745 1.00 0.00 C ATOM 944 OD1 ASP A 63 0.151 -11.781 -8.805 1.00 0.00 O ATOM 945 OD2 ASP A 63 1.994 -11.833 -7.554 1.00 0.00 O ATOM 0 H ASP A 63 -1.454 -10.899 -4.655 1.00 0.00 H new ATOM 0 HA ASP A 63 -1.850 -11.783 -7.425 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.507 -12.382 -5.650 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.108 -13.656 -6.684 1.00 0.00 H new ATOM 950 N SER A 64 -2.808 -13.995 -6.491 1.00 0.00 N ATOM 951 CA SER A 64 -3.644 -15.050 -5.942 1.00 0.00 C ATOM 952 C SER A 64 -4.611 -14.467 -4.909 1.00 0.00 C ATOM 953 O SER A 64 -4.553 -14.818 -3.732 1.00 0.00 O ATOM 954 CB SER A 64 -2.793 -16.153 -5.309 1.00 0.00 C ATOM 955 OG SER A 64 -2.635 -17.270 -6.179 1.00 0.00 O ATOM 0 H SER A 64 -2.647 -14.058 -7.496 1.00 0.00 H new ATOM 0 HA SER A 64 -4.217 -15.492 -6.757 1.00 0.00 H new ATOM 0 HB2 SER A 64 -1.813 -15.752 -5.052 1.00 0.00 H new ATOM 0 HB3 SER A 64 -3.257 -16.481 -4.379 1.00 0.00 H new ATOM 0 HG SER A 64 -2.085 -17.952 -5.740 1.00 0.00 H new ATOM 961 N GLY A 65 -5.477 -13.586 -5.388 1.00 0.00 N ATOM 962 CA GLY A 65 -6.455 -12.952 -4.522 1.00 0.00 C ATOM 963 C GLY A 65 -5.840 -12.600 -3.166 1.00 0.00 C ATOM 964 O GLY A 65 -6.480 -12.765 -2.128 1.00 0.00 O ATOM 0 H GLY A 65 -5.521 -13.297 -6.365 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -6.836 -12.049 -4.998 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -7.305 -13.619 -4.378 1.00 0.00 H new ATOM 968 N ASN A 66 -4.606 -12.121 -3.218 1.00 0.00 N ATOM 969 CA ASN A 66 -3.897 -11.745 -2.007 1.00 0.00 C ATOM 970 C ASN A 66 -2.981 -10.555 -2.306 1.00 0.00 C ATOM 971 O ASN A 66 -2.730 -10.238 -3.467 1.00 0.00 O ATOM 972 CB ASN A 66 -3.026 -12.895 -1.498 1.00 0.00 C ATOM 973 CG ASN A 66 -3.873 -13.947 -0.778 1.00 0.00 C ATOM 974 OD1 ASN A 66 -4.292 -14.940 -1.349 1.00 0.00 O ATOM 975 ND2 ASN A 66 -4.100 -13.673 0.503 1.00 0.00 N ATOM 0 H ASN A 66 -4.079 -11.985 -4.080 1.00 0.00 H new ATOM 0 HA ASN A 66 -4.637 -11.491 -1.249 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -2.501 -13.356 -2.335 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -2.266 -12.508 -0.819 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -4.655 -14.313 1.071 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -3.719 -12.823 0.918 1.00 0.00 H new ATOM 982 N TRP A 67 -2.508 -9.931 -1.238 1.00 0.00 N ATOM 983 CA TRP A 67 -1.626 -8.784 -1.371 1.00 0.00 C ATOM 984 C TRP A 67 -0.251 -9.179 -0.828 1.00 0.00 C ATOM 985 O TRP A 67 -0.155 -9.919 0.149 1.00 0.00 O ATOM 986 CB TRP A 67 -2.214 -7.556 -0.673 1.00 0.00 C ATOM 987 CG TRP A 67 -3.481 -7.011 -1.335 1.00 0.00 C ATOM 988 CD1 TRP A 67 -4.748 -7.399 -1.137 1.00 0.00 C ATOM 989 CD2 TRP A 67 -3.552 -5.955 -2.316 1.00 0.00 C ATOM 990 NE1 TRP A 67 -5.627 -6.675 -1.915 1.00 0.00 N ATOM 991 CE2 TRP A 67 -4.877 -5.768 -2.655 1.00 0.00 C ATOM 992 CE3 TRP A 67 -2.531 -5.183 -2.898 1.00 0.00 C ATOM 993 CZ2 TRP A 67 -5.302 -4.814 -3.587 1.00 0.00 C ATOM 994 CZ3 TRP A 67 -2.973 -4.234 -3.828 1.00 0.00 C ATOM 995 CH2 TRP A 67 -4.303 -4.034 -4.180 1.00 0.00 C ATOM 0 H TRP A 67 -2.719 -10.198 -0.276 1.00 0.00 H new ATOM 0 HA TRP A 67 -1.518 -8.500 -2.418 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -2.439 -7.812 0.362 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -1.461 -6.768 -0.650 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -5.044 -8.181 -0.454 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -6.641 -6.785 -1.942 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -1.488 -5.312 -2.648 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -6.345 -4.687 -3.835 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -2.229 -3.614 -4.305 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -4.564 -3.280 -4.908 1.00 0.00 H new ATOM 1006 N VAL A 68 0.779 -8.667 -1.486 1.00 0.00 N ATOM 1007 CA VAL A 68 2.144 -8.958 -1.082 1.00 0.00 C ATOM 1008 C VAL A 68 2.990 -7.690 -1.212 1.00 0.00 C ATOM 1009 O VAL A 68 2.678 -6.811 -2.014 1.00 0.00 O ATOM 1010 CB VAL A 68 2.693 -10.130 -1.898 1.00 0.00 C ATOM 1011 CG1 VAL A 68 1.616 -11.192 -2.125 1.00 0.00 C ATOM 1012 CG2 VAL A 68 3.276 -9.647 -3.227 1.00 0.00 C ATOM 0 H VAL A 68 0.696 -8.053 -2.296 1.00 0.00 H new ATOM 0 HA VAL A 68 2.176 -9.265 -0.037 1.00 0.00 H new ATOM 0 HB VAL A 68 3.499 -10.588 -1.326 1.00 0.00 H new ATOM 0 HG11 VAL A 68 2.032 -12.014 -2.707 1.00 0.00 H new ATOM 0 HG12 VAL A 68 1.268 -11.569 -1.163 1.00 0.00 H new ATOM 0 HG13 VAL A 68 0.779 -10.751 -2.666 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.659 -10.500 -3.787 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.497 -9.152 -3.807 1.00 0.00 H new ATOM 0 HG23 VAL A 68 4.087 -8.945 -3.035 1.00 0.00 H new ATOM 1022 N ILE A 69 4.044 -7.635 -0.412 1.00 0.00 N ATOM 1023 CA ILE A 69 4.938 -6.490 -0.427 1.00 0.00 C ATOM 1024 C ILE A 69 6.353 -6.957 -0.775 1.00 0.00 C ATOM 1025 O ILE A 69 6.761 -8.051 -0.389 1.00 0.00 O ATOM 1026 CB ILE A 69 4.850 -5.724 0.894 1.00 0.00 C ATOM 1027 CG1 ILE A 69 5.679 -4.438 0.839 1.00 0.00 C ATOM 1028 CG2 ILE A 69 5.252 -6.614 2.072 1.00 0.00 C ATOM 1029 CD1 ILE A 69 4.964 -3.294 1.561 1.00 0.00 C ATOM 0 H ILE A 69 4.299 -8.366 0.252 1.00 0.00 H new ATOM 0 HA ILE A 69 4.637 -5.782 -1.199 1.00 0.00 H new ATOM 0 HB ILE A 69 3.812 -5.432 1.050 1.00 0.00 H new ATOM 0 HG12 ILE A 69 6.653 -4.609 1.297 1.00 0.00 H new ATOM 0 HG13 ILE A 69 5.859 -4.161 -0.200 1.00 0.00 H new ATOM 0 HG21 ILE A 69 5.181 -6.045 2.999 1.00 0.00 H new ATOM 0 HG22 ILE A 69 4.585 -7.474 2.122 1.00 0.00 H new ATOM 0 HG23 ILE A 69 6.277 -6.957 1.935 1.00 0.00 H new ATOM 0 HD11 ILE A 69 5.574 -2.392 1.507 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.001 -3.109 1.086 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.807 -3.564 2.605 1.00 0.00 H new ATOM 1041 N GLN A 70 7.062 -6.104 -1.500 1.00 0.00 N ATOM 1042 CA GLN A 70 8.422 -6.415 -1.903 1.00 0.00 C ATOM 1043 C GLN A 70 9.304 -5.169 -1.805 1.00 0.00 C ATOM 1044 O GLN A 70 9.005 -4.143 -2.415 1.00 0.00 O ATOM 1045 CB GLN A 70 8.455 -7.000 -3.317 1.00 0.00 C ATOM 1046 CG GLN A 70 9.802 -7.665 -3.605 1.00 0.00 C ATOM 1047 CD GLN A 70 9.616 -9.131 -4.000 1.00 0.00 C ATOM 1048 OE1 GLN A 70 10.209 -10.034 -3.433 1.00 0.00 O ATOM 1049 NE2 GLN A 70 8.762 -9.317 -5.003 1.00 0.00 N ATOM 0 H GLN A 70 6.719 -5.198 -1.819 1.00 0.00 H new ATOM 0 HA GLN A 70 8.817 -7.170 -1.223 1.00 0.00 H new ATOM 0 HB2 GLN A 70 7.654 -7.730 -3.431 1.00 0.00 H new ATOM 0 HB3 GLN A 70 8.273 -6.210 -4.045 1.00 0.00 H new ATOM 0 HG2 GLN A 70 10.312 -7.130 -4.407 1.00 0.00 H new ATOM 0 HG3 GLN A 70 10.440 -7.600 -2.723 1.00 0.00 H new ATOM 0 HE21 GLN A 70 8.299 -8.517 -5.434 1.00 0.00 H new ATOM 0 HE22 GLN A 70 8.570 -10.260 -5.341 1.00 0.00 H new ATOM 1058 N ASP A 71 10.372 -5.298 -1.032 1.00 0.00 N ATOM 1059 CA ASP A 71 11.299 -4.195 -0.846 1.00 0.00 C ATOM 1060 C ASP A 71 12.282 -4.157 -2.018 1.00 0.00 C ATOM 1061 O ASP A 71 13.170 -5.002 -2.115 1.00 0.00 O ATOM 1062 CB ASP A 71 12.106 -4.365 0.443 1.00 0.00 C ATOM 1063 CG ASP A 71 13.280 -3.396 0.604 1.00 0.00 C ATOM 1064 OD1 ASP A 71 13.299 -2.398 -0.149 1.00 0.00 O ATOM 1065 OD2 ASP A 71 14.131 -3.676 1.475 1.00 0.00 O ATOM 0 H ASP A 71 10.616 -6.150 -0.527 1.00 0.00 H new ATOM 0 HA ASP A 71 10.720 -3.274 -0.790 1.00 0.00 H new ATOM 0 HB2 ASP A 71 11.435 -4.243 1.293 1.00 0.00 H new ATOM 0 HB3 ASP A 71 12.488 -5.385 0.483 1.00 0.00 H new ATOM 1070 N LEU A 72 12.089 -3.168 -2.878 1.00 0.00 N ATOM 1071 CA LEU A 72 12.947 -3.008 -4.040 1.00 0.00 C ATOM 1072 C LEU A 72 14.340 -2.568 -3.583 1.00 0.00 C ATOM 1073 O LEU A 72 14.802 -1.487 -3.943 1.00 0.00 O ATOM 1074 CB LEU A 72 12.305 -2.061 -5.055 1.00 0.00 C ATOM 1075 CG LEU A 72 11.074 -2.597 -5.788 1.00 0.00 C ATOM 1076 CD1 LEU A 72 10.264 -3.533 -4.888 1.00 0.00 C ATOM 1077 CD2 LEU A 72 10.222 -1.453 -6.340 1.00 0.00 C ATOM 0 H LEU A 72 11.351 -2.469 -2.794 1.00 0.00 H new ATOM 0 HA LEU A 72 13.067 -3.959 -4.559 1.00 0.00 H new ATOM 0 HB2 LEU A 72 12.024 -1.143 -4.539 1.00 0.00 H new ATOM 0 HB3 LEU A 72 13.057 -1.792 -5.797 1.00 0.00 H new ATOM 0 HG LEU A 72 11.414 -3.185 -6.641 1.00 0.00 H new ATOM 0 HD11 LEU A 72 9.395 -3.900 -5.433 1.00 0.00 H new ATOM 0 HD12 LEU A 72 10.886 -4.376 -4.587 1.00 0.00 H new ATOM 0 HD13 LEU A 72 9.934 -2.991 -4.002 1.00 0.00 H new ATOM 0 HD21 LEU A 72 9.354 -1.862 -6.856 1.00 0.00 H new ATOM 0 HD22 LEU A 72 9.890 -0.818 -5.519 1.00 0.00 H new ATOM 0 HD23 LEU A 72 10.814 -0.863 -7.039 1.00 0.00 H new ATOM 1089 N GLY A 73 14.970 -3.429 -2.797 1.00 0.00 N ATOM 1090 CA GLY A 73 16.300 -3.143 -2.288 1.00 0.00 C ATOM 1091 C GLY A 73 16.445 -1.661 -1.935 1.00 0.00 C ATOM 1092 O GLY A 73 17.464 -1.044 -2.239 1.00 0.00 O ATOM 0 H GLY A 73 14.583 -4.325 -2.500 1.00 0.00 H new ATOM 0 HA2 GLY A 73 16.494 -3.752 -1.405 1.00 0.00 H new ATOM 0 HA3 GLY A 73 17.046 -3.417 -3.034 1.00 0.00 H new ATOM 1096 N SER A 74 15.410 -1.134 -1.298 1.00 0.00 N ATOM 1097 CA SER A 74 15.409 0.264 -0.900 1.00 0.00 C ATOM 1098 C SER A 74 16.715 0.604 -0.181 1.00 0.00 C ATOM 1099 O SER A 74 17.431 -0.290 0.269 1.00 0.00 O ATOM 1100 CB SER A 74 14.210 0.580 -0.003 1.00 0.00 C ATOM 1101 OG SER A 74 14.463 0.252 1.360 1.00 0.00 O ATOM 0 H SER A 74 14.566 -1.650 -1.047 1.00 0.00 H new ATOM 0 HA SER A 74 15.327 0.876 -1.798 1.00 0.00 H new ATOM 0 HB2 SER A 74 13.967 1.640 -0.082 1.00 0.00 H new ATOM 0 HB3 SER A 74 13.339 0.026 -0.354 1.00 0.00 H new ATOM 0 HG SER A 74 13.673 0.464 1.900 1.00 0.00 H new ATOM 1107 N SER A 75 16.986 1.898 -0.094 1.00 0.00 N ATOM 1108 CA SER A 75 18.194 2.367 0.563 1.00 0.00 C ATOM 1109 C SER A 75 17.936 2.555 2.060 1.00 0.00 C ATOM 1110 O SER A 75 17.955 3.679 2.560 1.00 0.00 O ATOM 1111 CB SER A 75 18.687 3.675 -0.059 1.00 0.00 C ATOM 1112 OG SER A 75 19.830 3.475 -0.887 1.00 0.00 O ATOM 0 H SER A 75 16.390 2.636 -0.468 1.00 0.00 H new ATOM 0 HA SER A 75 18.972 1.616 0.426 1.00 0.00 H new ATOM 0 HB2 SER A 75 17.886 4.121 -0.649 1.00 0.00 H new ATOM 0 HB3 SER A 75 18.932 4.383 0.733 1.00 0.00 H new ATOM 0 HG SER A 75 20.113 4.333 -1.267 1.00 0.00 H new ATOM 1118 N ASN A 76 17.701 1.438 2.732 1.00 0.00 N ATOM 1119 CA ASN A 76 17.440 1.466 4.161 1.00 0.00 C ATOM 1120 C ASN A 76 16.835 0.128 4.591 1.00 0.00 C ATOM 1121 O ASN A 76 17.291 -0.482 5.557 1.00 0.00 O ATOM 1122 CB ASN A 76 16.444 2.571 4.518 1.00 0.00 C ATOM 1123 CG ASN A 76 17.149 3.747 5.197 1.00 0.00 C ATOM 1124 OD1 ASN A 76 18.133 3.591 5.902 1.00 0.00 O ATOM 1125 ND2 ASN A 76 16.594 4.929 4.947 1.00 0.00 N ATOM 0 H ASN A 76 17.686 0.508 2.314 1.00 0.00 H new ATOM 0 HA ASN A 76 18.384 1.653 4.672 1.00 0.00 H new ATOM 0 HB2 ASN A 76 15.940 2.917 3.615 1.00 0.00 H new ATOM 0 HB3 ASN A 76 15.675 2.172 5.180 1.00 0.00 H new ATOM 0 HD21 ASN A 76 16.991 5.775 5.354 1.00 0.00 H new ATOM 0 HD22 ASN A 76 15.771 4.989 4.348 1.00 0.00 H new ATOM 1132 N GLY A 77 15.818 -0.290 3.852 1.00 0.00 N ATOM 1133 CA GLY A 77 15.146 -1.544 4.144 1.00 0.00 C ATOM 1134 C GLY A 77 13.726 -1.299 4.659 1.00 0.00 C ATOM 1135 O GLY A 77 13.476 -0.316 5.355 1.00 0.00 O ATOM 0 H GLY A 77 15.443 0.218 3.051 1.00 0.00 H new ATOM 0 HA2 GLY A 77 15.109 -2.159 3.245 1.00 0.00 H new ATOM 0 HA3 GLY A 77 15.715 -2.101 4.888 1.00 0.00 H new ATOM 1139 N THR A 78 12.834 -2.210 4.298 1.00 0.00 N ATOM 1140 CA THR A 78 11.446 -2.104 4.715 1.00 0.00 C ATOM 1141 C THR A 78 11.187 -2.993 5.933 1.00 0.00 C ATOM 1142 O THR A 78 11.801 -4.048 6.079 1.00 0.00 O ATOM 1143 CB THR A 78 10.564 -2.448 3.513 1.00 0.00 C ATOM 1144 OG1 THR A 78 11.061 -1.617 2.468 1.00 0.00 O ATOM 1145 CG2 THR A 78 9.117 -1.988 3.699 1.00 0.00 C ATOM 0 H THR A 78 13.045 -3.025 3.722 1.00 0.00 H new ATOM 0 HA THR A 78 11.204 -1.090 5.034 1.00 0.00 H new ATOM 0 HB THR A 78 10.584 -3.525 3.344 1.00 0.00 H new ATOM 0 HG1 THR A 78 11.135 -2.139 1.642 1.00 0.00 H new ATOM 0 HG21 THR A 78 8.534 -2.256 2.818 1.00 0.00 H new ATOM 0 HG22 THR A 78 8.691 -2.473 4.578 1.00 0.00 H new ATOM 0 HG23 THR A 78 9.093 -0.907 3.834 1.00 0.00 H new ATOM 1153 N LEU A 79 10.275 -2.533 6.777 1.00 0.00 N ATOM 1154 CA LEU A 79 9.927 -3.273 7.979 1.00 0.00 C ATOM 1155 C LEU A 79 8.434 -3.610 7.950 1.00 0.00 C ATOM 1156 O LEU A 79 7.620 -2.799 7.511 1.00 0.00 O ATOM 1157 CB LEU A 79 10.359 -2.501 9.227 1.00 0.00 C ATOM 1158 CG LEU A 79 11.853 -2.538 9.554 1.00 0.00 C ATOM 1159 CD1 LEU A 79 12.211 -1.480 10.600 1.00 0.00 C ATOM 1160 CD2 LEU A 79 12.286 -3.940 9.986 1.00 0.00 C ATOM 0 H LEU A 79 9.767 -1.658 6.653 1.00 0.00 H new ATOM 0 HA LEU A 79 10.468 -4.219 8.015 1.00 0.00 H new ATOM 0 HB2 LEU A 79 10.059 -1.460 9.108 1.00 0.00 H new ATOM 0 HB3 LEU A 79 9.810 -2.895 10.082 1.00 0.00 H new ATOM 0 HG LEU A 79 12.407 -2.296 8.647 1.00 0.00 H new ATOM 0 HD11 LEU A 79 13.279 -1.527 10.815 1.00 0.00 H new ATOM 0 HD12 LEU A 79 11.961 -0.491 10.217 1.00 0.00 H new ATOM 0 HD13 LEU A 79 11.648 -1.667 11.515 1.00 0.00 H new ATOM 0 HD21 LEU A 79 13.352 -3.938 10.212 1.00 0.00 H new ATOM 0 HD22 LEU A 79 11.727 -4.236 10.874 1.00 0.00 H new ATOM 0 HD23 LEU A 79 12.088 -4.647 9.180 1.00 0.00 H new ATOM 1172 N LEU A 80 8.121 -4.807 8.424 1.00 0.00 N ATOM 1173 CA LEU A 80 6.742 -5.261 8.458 1.00 0.00 C ATOM 1174 C LEU A 80 6.397 -5.726 9.874 1.00 0.00 C ATOM 1175 O LEU A 80 6.795 -6.814 10.288 1.00 0.00 O ATOM 1176 CB LEU A 80 6.501 -6.325 7.385 1.00 0.00 C ATOM 1177 CG LEU A 80 5.038 -6.670 7.098 1.00 0.00 C ATOM 1178 CD1 LEU A 80 4.237 -5.413 6.751 1.00 0.00 C ATOM 1179 CD2 LEU A 80 4.930 -7.738 6.008 1.00 0.00 C ATOM 0 H LEU A 80 8.799 -5.476 8.788 1.00 0.00 H new ATOM 0 HA LEU A 80 6.065 -4.441 8.218 1.00 0.00 H new ATOM 0 HB2 LEU A 80 6.963 -5.988 6.457 1.00 0.00 H new ATOM 0 HB3 LEU A 80 7.017 -7.237 7.684 1.00 0.00 H new ATOM 0 HG LEU A 80 4.602 -7.090 8.004 1.00 0.00 H new ATOM 0 HD11 LEU A 80 3.201 -5.686 6.551 1.00 0.00 H new ATOM 0 HD12 LEU A 80 4.274 -4.715 7.588 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.665 -4.941 5.866 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.880 -7.965 5.824 1.00 0.00 H new ATOM 0 HD22 LEU A 80 5.388 -7.369 5.090 1.00 0.00 H new ATOM 0 HD23 LEU A 80 5.445 -8.642 6.332 1.00 0.00 H new ATOM 1191 N ASN A 81 5.661 -4.879 10.578 1.00 0.00 N ATOM 1192 CA ASN A 81 5.259 -5.190 11.939 1.00 0.00 C ATOM 1193 C ASN A 81 6.496 -5.215 12.839 1.00 0.00 C ATOM 1194 O ASN A 81 6.662 -4.349 13.696 1.00 0.00 O ATOM 1195 CB ASN A 81 4.590 -6.564 12.016 1.00 0.00 C ATOM 1196 CG ASN A 81 3.415 -6.657 11.041 1.00 0.00 C ATOM 1197 OD1 ASN A 81 2.398 -6.000 11.190 1.00 0.00 O ATOM 1198 ND2 ASN A 81 3.610 -7.507 10.037 1.00 0.00 N ATOM 0 H ASN A 81 5.333 -3.978 10.232 1.00 0.00 H new ATOM 0 HA ASN A 81 4.552 -4.426 12.264 1.00 0.00 H new ATOM 0 HB2 ASN A 81 5.319 -7.341 11.787 1.00 0.00 H new ATOM 0 HB3 ASN A 81 4.239 -6.745 13.032 1.00 0.00 H new ATOM 0 HD21 ASN A 81 2.884 -7.640 9.333 1.00 0.00 H new ATOM 0 HD22 ASN A 81 4.485 -8.026 9.971 1.00 0.00 H new ATOM 1205 N SER A 82 7.332 -6.218 12.613 1.00 0.00 N ATOM 1206 CA SER A 82 8.549 -6.368 13.393 1.00 0.00 C ATOM 1207 C SER A 82 9.515 -7.316 12.679 1.00 0.00 C ATOM 1208 O SER A 82 9.918 -8.334 13.238 1.00 0.00 O ATOM 1209 CB SER A 82 8.242 -6.884 14.800 1.00 0.00 C ATOM 1210 OG SER A 82 7.805 -5.841 15.667 1.00 0.00 O ATOM 0 H SER A 82 7.191 -6.935 11.901 1.00 0.00 H new ATOM 0 HA SER A 82 9.016 -5.388 13.489 1.00 0.00 H new ATOM 0 HB2 SER A 82 7.473 -7.655 14.744 1.00 0.00 H new ATOM 0 HB3 SER A 82 9.133 -7.353 15.217 1.00 0.00 H new ATOM 0 HG SER A 82 7.428 -5.110 15.135 1.00 0.00 H new ATOM 1216 N ASN A 83 9.858 -6.947 11.453 1.00 0.00 N ATOM 1217 CA ASN A 83 10.768 -7.752 10.657 1.00 0.00 C ATOM 1218 C ASN A 83 11.134 -6.989 9.382 1.00 0.00 C ATOM 1219 O ASN A 83 10.261 -6.440 8.711 1.00 0.00 O ATOM 1220 CB ASN A 83 10.119 -9.075 10.247 1.00 0.00 C ATOM 1221 CG ASN A 83 11.180 -10.136 9.948 1.00 0.00 C ATOM 1222 OD1 ASN A 83 11.913 -10.581 10.816 1.00 0.00 O ATOM 1223 ND2 ASN A 83 11.220 -10.517 8.674 1.00 0.00 N ATOM 0 H ASN A 83 9.522 -6.101 10.992 1.00 0.00 H new ATOM 0 HA ASN A 83 11.653 -7.957 11.260 1.00 0.00 H new ATOM 0 HB2 ASN A 83 9.464 -9.425 11.044 1.00 0.00 H new ATOM 0 HB3 ASN A 83 9.495 -8.921 9.366 1.00 0.00 H new ATOM 0 HD21 ASN A 83 11.893 -11.222 8.373 1.00 0.00 H new ATOM 0 HD22 ASN A 83 10.578 -10.104 7.998 1.00 0.00 H new ATOM 1230 N ALA A 84 12.425 -6.981 9.085 1.00 0.00 N ATOM 1231 CA ALA A 84 12.917 -6.295 7.902 1.00 0.00 C ATOM 1232 C ALA A 84 12.644 -7.158 6.668 1.00 0.00 C ATOM 1233 O ALA A 84 13.104 -8.296 6.587 1.00 0.00 O ATOM 1234 CB ALA A 84 14.403 -5.979 8.075 1.00 0.00 C ATOM 0 H ALA A 84 13.146 -7.439 9.643 1.00 0.00 H new ATOM 0 HA ALA A 84 12.397 -5.347 7.764 1.00 0.00 H new ATOM 0 HB1 ALA A 84 14.771 -5.465 7.187 1.00 0.00 H new ATOM 0 HB2 ALA A 84 14.540 -5.340 8.948 1.00 0.00 H new ATOM 0 HB3 ALA A 84 14.959 -6.907 8.213 1.00 0.00 H new ATOM 1240 N LEU A 85 11.898 -6.583 5.736 1.00 0.00 N ATOM 1241 CA LEU A 85 11.559 -7.285 4.510 1.00 0.00 C ATOM 1242 C LEU A 85 12.831 -7.520 3.694 1.00 0.00 C ATOM 1243 O LEU A 85 13.868 -6.916 3.966 1.00 0.00 O ATOM 1244 CB LEU A 85 10.468 -6.531 3.745 1.00 0.00 C ATOM 1245 CG LEU A 85 9.167 -6.278 4.509 1.00 0.00 C ATOM 1246 CD1 LEU A 85 8.301 -5.244 3.787 1.00 0.00 C ATOM 1247 CD2 LEU A 85 8.412 -7.586 4.755 1.00 0.00 C ATOM 0 H LEU A 85 11.519 -5.639 5.805 1.00 0.00 H new ATOM 0 HA LEU A 85 11.139 -8.265 4.736 1.00 0.00 H new ATOM 0 HB2 LEU A 85 10.873 -5.570 3.427 1.00 0.00 H new ATOM 0 HB3 LEU A 85 10.232 -7.092 2.841 1.00 0.00 H new ATOM 0 HG LEU A 85 9.419 -5.863 5.485 1.00 0.00 H new ATOM 0 HD11 LEU A 85 7.382 -5.082 4.350 1.00 0.00 H new ATOM 0 HD12 LEU A 85 8.848 -4.304 3.706 1.00 0.00 H new ATOM 0 HD13 LEU A 85 8.056 -5.608 2.789 1.00 0.00 H new ATOM 0 HD21 LEU A 85 7.491 -7.378 5.300 1.00 0.00 H new ATOM 0 HD22 LEU A 85 8.171 -8.052 3.800 1.00 0.00 H new ATOM 0 HD23 LEU A 85 9.035 -8.261 5.341 1.00 0.00 H new ATOM 1259 N ASP A 86 12.711 -8.400 2.710 1.00 0.00 N ATOM 1260 CA ASP A 86 13.839 -8.722 1.853 1.00 0.00 C ATOM 1261 C ASP A 86 13.464 -8.438 0.397 1.00 0.00 C ATOM 1262 O ASP A 86 12.292 -8.495 0.031 1.00 0.00 O ATOM 1263 CB ASP A 86 14.210 -10.202 1.965 1.00 0.00 C ATOM 1264 CG ASP A 86 15.697 -10.480 2.193 1.00 0.00 C ATOM 1265 OD1 ASP A 86 16.284 -9.770 3.038 1.00 0.00 O ATOM 1266 OD2 ASP A 86 16.213 -11.397 1.518 1.00 0.00 O ATOM 0 H ASP A 86 11.850 -8.900 2.488 1.00 0.00 H new ATOM 0 HA ASP A 86 14.687 -8.113 2.167 1.00 0.00 H new ATOM 0 HB2 ASP A 86 13.643 -10.642 2.786 1.00 0.00 H new ATOM 0 HB3 ASP A 86 13.896 -10.710 1.053 1.00 0.00 H new ATOM 1271 N PRO A 87 14.511 -8.130 -0.416 1.00 0.00 N ATOM 1272 CA PRO A 87 14.304 -7.837 -1.824 1.00 0.00 C ATOM 1273 C PRO A 87 14.021 -9.116 -2.615 1.00 0.00 C ATOM 1274 O PRO A 87 13.167 -9.127 -3.500 1.00 0.00 O ATOM 1275 CB PRO A 87 15.574 -7.132 -2.270 1.00 0.00 C ATOM 1276 CG PRO A 87 16.626 -7.468 -1.225 1.00 0.00 C ATOM 1277 CD PRO A 87 15.913 -8.054 -0.017 1.00 0.00 C ATOM 0 HA PRO A 87 13.432 -7.207 -1.998 1.00 0.00 H new ATOM 0 HB2 PRO A 87 15.883 -7.472 -3.259 1.00 0.00 H new ATOM 0 HB3 PRO A 87 15.420 -6.055 -2.337 1.00 0.00 H new ATOM 0 HG2 PRO A 87 17.347 -8.180 -1.625 1.00 0.00 H new ATOM 0 HG3 PRO A 87 17.183 -6.574 -0.943 1.00 0.00 H new ATOM 0 HD2 PRO A 87 16.307 -9.038 0.236 1.00 0.00 H new ATOM 0 HD3 PRO A 87 16.041 -7.423 0.863 1.00 0.00 H new ATOM 1285 N GLU A 88 14.754 -10.163 -2.267 1.00 0.00 N ATOM 1286 CA GLU A 88 14.593 -11.444 -2.933 1.00 0.00 C ATOM 1287 C GLU A 88 13.476 -12.251 -2.269 1.00 0.00 C ATOM 1288 O GLU A 88 13.330 -13.445 -2.526 1.00 0.00 O ATOM 1289 CB GLU A 88 15.907 -12.229 -2.938 1.00 0.00 C ATOM 1290 CG GLU A 88 16.990 -11.478 -3.716 1.00 0.00 C ATOM 1291 CD GLU A 88 18.043 -12.446 -4.260 1.00 0.00 C ATOM 1292 OE1 GLU A 88 17.812 -12.970 -5.371 1.00 0.00 O ATOM 1293 OE2 GLU A 88 19.056 -12.639 -3.553 1.00 0.00 O ATOM 0 H GLU A 88 15.461 -10.150 -1.532 1.00 0.00 H new ATOM 0 HA GLU A 88 14.314 -11.259 -3.970 1.00 0.00 H new ATOM 0 HB2 GLU A 88 16.239 -12.396 -1.913 1.00 0.00 H new ATOM 0 HB3 GLU A 88 15.747 -13.210 -3.385 1.00 0.00 H new ATOM 0 HG2 GLU A 88 16.536 -10.928 -4.540 1.00 0.00 H new ATOM 0 HG3 GLU A 88 17.466 -10.744 -3.067 1.00 0.00 H new ATOM 1300 N THR A 89 12.715 -11.566 -1.427 1.00 0.00 N ATOM 1301 CA THR A 89 11.615 -12.204 -0.724 1.00 0.00 C ATOM 1302 C THR A 89 10.401 -11.274 -0.676 1.00 0.00 C ATOM 1303 O THR A 89 10.549 -10.064 -0.511 1.00 0.00 O ATOM 1304 CB THR A 89 12.117 -12.621 0.660 1.00 0.00 C ATOM 1305 OG1 THR A 89 13.383 -13.221 0.404 1.00 0.00 O ATOM 1306 CG2 THR A 89 11.284 -13.751 1.269 1.00 0.00 C ATOM 0 H THR A 89 12.839 -10.576 -1.216 1.00 0.00 H new ATOM 0 HA THR A 89 11.278 -13.099 -1.247 1.00 0.00 H new ATOM 0 HB THR A 89 12.101 -11.759 1.327 1.00 0.00 H new ATOM 0 HG1 THR A 89 13.780 -13.519 1.249 1.00 0.00 H new ATOM 0 HG21 THR A 89 11.682 -14.009 2.250 1.00 0.00 H new ATOM 0 HG22 THR A 89 10.249 -13.425 1.372 1.00 0.00 H new ATOM 0 HG23 THR A 89 11.327 -14.625 0.619 1.00 0.00 H new ATOM 1314 N SER A 90 9.230 -11.874 -0.823 1.00 0.00 N ATOM 1315 CA SER A 90 7.991 -11.114 -0.798 1.00 0.00 C ATOM 1316 C SER A 90 7.011 -11.743 0.194 1.00 0.00 C ATOM 1317 O SER A 90 6.715 -12.934 0.110 1.00 0.00 O ATOM 1318 CB SER A 90 7.362 -11.041 -2.191 1.00 0.00 C ATOM 1319 OG SER A 90 6.938 -9.720 -2.516 1.00 0.00 O ATOM 0 H SER A 90 9.112 -12.878 -0.960 1.00 0.00 H new ATOM 0 HA SER A 90 8.220 -10.097 -0.478 1.00 0.00 H new ATOM 0 HB2 SER A 90 8.083 -11.383 -2.933 1.00 0.00 H new ATOM 0 HB3 SER A 90 6.509 -11.718 -2.240 1.00 0.00 H new ATOM 0 HG SER A 90 6.836 -9.198 -1.693 1.00 0.00 H new ATOM 1325 N VAL A 91 6.535 -10.914 1.112 1.00 0.00 N ATOM 1326 CA VAL A 91 5.594 -11.374 2.120 1.00 0.00 C ATOM 1327 C VAL A 91 4.178 -10.959 1.716 1.00 0.00 C ATOM 1328 O VAL A 91 4.001 -10.054 0.902 1.00 0.00 O ATOM 1329 CB VAL A 91 6.003 -10.846 3.496 1.00 0.00 C ATOM 1330 CG1 VAL A 91 5.175 -11.503 4.603 1.00 0.00 C ATOM 1331 CG2 VAL A 91 7.500 -11.048 3.739 1.00 0.00 C ATOM 0 H VAL A 91 6.783 -9.927 1.179 1.00 0.00 H new ATOM 0 HA VAL A 91 5.607 -12.462 2.187 1.00 0.00 H new ATOM 0 HB VAL A 91 5.802 -9.775 3.517 1.00 0.00 H new ATOM 0 HG11 VAL A 91 5.485 -11.110 5.571 1.00 0.00 H new ATOM 0 HG12 VAL A 91 4.119 -11.286 4.445 1.00 0.00 H new ATOM 0 HG13 VAL A 91 5.330 -12.582 4.582 1.00 0.00 H new ATOM 0 HG21 VAL A 91 7.764 -10.664 4.724 1.00 0.00 H new ATOM 0 HG22 VAL A 91 7.737 -12.111 3.689 1.00 0.00 H new ATOM 0 HG23 VAL A 91 8.068 -10.513 2.977 1.00 0.00 H new ATOM 1341 N ASN A 92 3.206 -11.640 2.305 1.00 0.00 N ATOM 1342 CA ASN A 92 1.811 -11.354 2.017 1.00 0.00 C ATOM 1343 C ASN A 92 1.268 -10.381 3.065 1.00 0.00 C ATOM 1344 O ASN A 92 1.303 -10.668 4.261 1.00 0.00 O ATOM 1345 CB ASN A 92 0.965 -12.627 2.070 1.00 0.00 C ATOM 1346 CG ASN A 92 0.955 -13.221 3.480 1.00 0.00 C ATOM 1347 OD1 ASN A 92 1.925 -13.153 4.217 1.00 0.00 O ATOM 1348 ND2 ASN A 92 -0.192 -13.804 3.814 1.00 0.00 N ATOM 0 H ASN A 92 3.357 -12.389 2.980 1.00 0.00 H new ATOM 0 HA ASN A 92 1.754 -10.925 1.016 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -0.055 -12.403 1.759 1.00 0.00 H new ATOM 0 HB3 ASN A 92 1.359 -13.360 1.366 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -0.299 -14.229 4.735 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -0.965 -13.826 3.149 1.00 0.00 H new ATOM 1355 N LEU A 93 0.778 -9.249 2.579 1.00 0.00 N ATOM 1356 CA LEU A 93 0.229 -8.233 3.460 1.00 0.00 C ATOM 1357 C LEU A 93 -0.918 -8.835 4.274 1.00 0.00 C ATOM 1358 O LEU A 93 -1.394 -9.927 3.968 1.00 0.00 O ATOM 1359 CB LEU A 93 -0.170 -6.991 2.660 1.00 0.00 C ATOM 1360 CG LEU A 93 0.981 -6.107 2.175 1.00 0.00 C ATOM 1361 CD1 LEU A 93 0.485 -5.062 1.174 1.00 0.00 C ATOM 1362 CD2 LEU A 93 1.716 -5.467 3.355 1.00 0.00 C ATOM 0 H LEU A 93 0.750 -9.014 1.587 1.00 0.00 H new ATOM 0 HA LEU A 93 0.983 -7.898 4.172 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -0.746 -7.312 1.792 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -0.833 -6.384 3.276 1.00 0.00 H new ATOM 0 HG LEU A 93 1.700 -6.738 1.652 1.00 0.00 H new ATOM 0 HD11 LEU A 93 1.323 -4.447 0.845 1.00 0.00 H new ATOM 0 HD12 LEU A 93 0.043 -5.564 0.313 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -0.265 -4.430 1.650 1.00 0.00 H new ATOM 0 HD21 LEU A 93 2.529 -4.844 2.983 1.00 0.00 H new ATOM 0 HD22 LEU A 93 1.021 -4.852 3.927 1.00 0.00 H new ATOM 0 HD23 LEU A 93 2.122 -6.248 3.997 1.00 0.00 H new ATOM 1374 N GLY A 94 -1.329 -8.096 5.294 1.00 0.00 N ATOM 1375 CA GLY A 94 -2.412 -8.543 6.154 1.00 0.00 C ATOM 1376 C GLY A 94 -3.105 -7.356 6.825 1.00 0.00 C ATOM 1377 O GLY A 94 -2.495 -6.307 7.023 1.00 0.00 O ATOM 0 H GLY A 94 -0.932 -7.191 5.544 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -3.137 -9.108 5.568 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -2.022 -9.218 6.915 1.00 0.00 H new ATOM 1381 N ASP A 95 -4.371 -7.562 7.157 1.00 0.00 N ATOM 1382 CA ASP A 95 -5.154 -6.522 7.802 1.00 0.00 C ATOM 1383 C ASP A 95 -4.583 -6.248 9.194 1.00 0.00 C ATOM 1384 O ASP A 95 -4.751 -7.054 10.108 1.00 0.00 O ATOM 1385 CB ASP A 95 -6.613 -6.952 7.966 1.00 0.00 C ATOM 1386 CG ASP A 95 -7.365 -6.267 9.108 1.00 0.00 C ATOM 1387 OD1 ASP A 95 -7.107 -6.651 10.269 1.00 0.00 O ATOM 1388 OD2 ASP A 95 -8.182 -5.374 8.795 1.00 0.00 O ATOM 0 H ASP A 95 -4.874 -8.434 6.991 1.00 0.00 H new ATOM 0 HA ASP A 95 -5.109 -5.630 7.177 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -7.141 -6.754 7.033 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -6.642 -8.030 8.127 1.00 0.00 H new ATOM 1393 N GLY A 96 -3.919 -5.107 9.312 1.00 0.00 N ATOM 1394 CA GLY A 96 -3.321 -4.717 10.578 1.00 0.00 C ATOM 1395 C GLY A 96 -1.796 -4.821 10.519 1.00 0.00 C ATOM 1396 O GLY A 96 -1.136 -4.918 11.553 1.00 0.00 O ATOM 0 H GLY A 96 -3.782 -4.441 8.552 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -3.610 -3.695 10.821 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -3.702 -5.354 11.376 1.00 0.00 H new ATOM 1400 N ASP A 97 -1.279 -4.796 9.299 1.00 0.00 N ATOM 1401 CA ASP A 97 0.156 -4.885 9.092 1.00 0.00 C ATOM 1402 C ASP A 97 0.745 -3.476 9.015 1.00 0.00 C ATOM 1403 O ASP A 97 0.304 -2.658 8.208 1.00 0.00 O ATOM 1404 CB ASP A 97 0.479 -5.605 7.781 1.00 0.00 C ATOM 1405 CG ASP A 97 0.040 -7.070 7.722 1.00 0.00 C ATOM 1406 OD1 ASP A 97 -0.837 -7.432 8.536 1.00 0.00 O ATOM 1407 OD2 ASP A 97 0.590 -7.793 6.865 1.00 0.00 O ATOM 0 H ASP A 97 -1.829 -4.715 8.444 1.00 0.00 H new ATOM 0 HA ASP A 97 0.583 -5.443 9.925 1.00 0.00 H new ATOM 0 HB2 ASP A 97 0.004 -5.066 6.961 1.00 0.00 H new ATOM 0 HB3 ASP A 97 1.555 -5.557 7.613 1.00 0.00 H new ATOM 1412 N VAL A 98 1.732 -3.234 9.865 1.00 0.00 N ATOM 1413 CA VAL A 98 2.386 -1.937 9.903 1.00 0.00 C ATOM 1414 C VAL A 98 3.654 -1.985 9.047 1.00 0.00 C ATOM 1415 O VAL A 98 4.551 -2.785 9.305 1.00 0.00 O ATOM 1416 CB VAL A 98 2.659 -1.531 11.353 1.00 0.00 C ATOM 1417 CG1 VAL A 98 3.816 -0.533 11.434 1.00 0.00 C ATOM 1418 CG2 VAL A 98 1.398 -0.964 12.009 1.00 0.00 C ATOM 0 H VAL A 98 2.095 -3.914 10.533 1.00 0.00 H new ATOM 0 HA VAL A 98 1.737 -1.169 9.481 1.00 0.00 H new ATOM 0 HB VAL A 98 2.950 -2.426 11.903 1.00 0.00 H new ATOM 0 HG11 VAL A 98 3.989 -0.261 12.475 1.00 0.00 H new ATOM 0 HG12 VAL A 98 4.718 -0.987 11.023 1.00 0.00 H new ATOM 0 HG13 VAL A 98 3.566 0.361 10.862 1.00 0.00 H new ATOM 0 HG21 VAL A 98 1.619 -0.683 13.039 1.00 0.00 H new ATOM 0 HG22 VAL A 98 1.064 -0.086 11.457 1.00 0.00 H new ATOM 0 HG23 VAL A 98 0.612 -1.719 11.999 1.00 0.00 H new ATOM 1428 N ILE A 99 3.687 -1.116 8.047 1.00 0.00 N ATOM 1429 CA ILE A 99 4.830 -1.049 7.152 1.00 0.00 C ATOM 1430 C ILE A 99 5.678 0.174 7.506 1.00 0.00 C ATOM 1431 O ILE A 99 5.279 1.307 7.244 1.00 0.00 O ATOM 1432 CB ILE A 99 4.370 -1.077 5.693 1.00 0.00 C ATOM 1433 CG1 ILE A 99 3.373 -2.213 5.454 1.00 0.00 C ATOM 1434 CG2 ILE A 99 5.566 -1.155 4.742 1.00 0.00 C ATOM 1435 CD1 ILE A 99 2.600 -1.999 4.151 1.00 0.00 C ATOM 0 H ILE A 99 2.941 -0.453 7.837 1.00 0.00 H new ATOM 0 HA ILE A 99 5.465 -1.926 7.279 1.00 0.00 H new ATOM 0 HB ILE A 99 3.851 -0.142 5.481 1.00 0.00 H new ATOM 0 HG12 ILE A 99 3.903 -3.165 5.414 1.00 0.00 H new ATOM 0 HG13 ILE A 99 2.675 -2.271 6.290 1.00 0.00 H new ATOM 0 HG21 ILE A 99 5.211 -1.174 3.712 1.00 0.00 H new ATOM 0 HG22 ILE A 99 6.206 -0.285 4.890 1.00 0.00 H new ATOM 0 HG23 ILE A 99 6.135 -2.062 4.946 1.00 0.00 H new ATOM 0 HD11 ILE A 99 1.898 -2.820 4.005 1.00 0.00 H new ATOM 0 HD12 ILE A 99 2.052 -1.058 4.203 1.00 0.00 H new ATOM 0 HD13 ILE A 99 3.298 -1.966 3.315 1.00 0.00 H new ATOM 1447 N LYS A 100 6.833 -0.098 8.096 1.00 0.00 N ATOM 1448 CA LYS A 100 7.741 0.966 8.488 1.00 0.00 C ATOM 1449 C LYS A 100 8.829 1.122 7.423 1.00 0.00 C ATOM 1450 O LYS A 100 9.733 0.293 7.328 1.00 0.00 O ATOM 1451 CB LYS A 100 8.290 0.711 9.894 1.00 0.00 C ATOM 1452 CG LYS A 100 7.408 1.373 10.955 1.00 0.00 C ATOM 1453 CD LYS A 100 7.370 0.536 12.235 1.00 0.00 C ATOM 1454 CE LYS A 100 8.216 1.179 13.336 1.00 0.00 C ATOM 1455 NZ LYS A 100 8.026 0.466 14.619 1.00 0.00 N ATOM 0 H LYS A 100 7.160 -1.040 8.312 1.00 0.00 H new ATOM 0 HA LYS A 100 7.211 1.917 8.544 1.00 0.00 H new ATOM 0 HB2 LYS A 100 8.344 -0.362 10.078 1.00 0.00 H new ATOM 0 HB3 LYS A 100 9.306 1.098 9.967 1.00 0.00 H new ATOM 0 HG2 LYS A 100 7.788 2.370 11.179 1.00 0.00 H new ATOM 0 HG3 LYS A 100 6.397 1.497 10.567 1.00 0.00 H new ATOM 0 HD2 LYS A 100 6.340 0.433 12.576 1.00 0.00 H new ATOM 0 HD3 LYS A 100 7.739 -0.469 12.028 1.00 0.00 H new ATOM 0 HE2 LYS A 100 9.269 1.157 13.054 1.00 0.00 H new ATOM 0 HE3 LYS A 100 7.938 2.227 13.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 8.607 0.915 15.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 7.024 0.509 14.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 8.313 -0.528 14.510 1.00 0.00 H new ATOM 1469 N LEU A 101 8.705 2.190 6.649 1.00 0.00 N ATOM 1470 CA LEU A 101 9.666 2.465 5.594 1.00 0.00 C ATOM 1471 C LEU A 101 10.237 3.871 5.784 1.00 0.00 C ATOM 1472 O LEU A 101 9.658 4.689 6.498 1.00 0.00 O ATOM 1473 CB LEU A 101 9.032 2.240 4.220 1.00 0.00 C ATOM 1474 CG LEU A 101 7.959 3.248 3.802 1.00 0.00 C ATOM 1475 CD1 LEU A 101 8.058 3.567 2.309 1.00 0.00 C ATOM 1476 CD2 LEU A 101 6.564 2.757 4.192 1.00 0.00 C ATOM 0 H LEU A 101 7.954 2.875 6.731 1.00 0.00 H new ATOM 0 HA LEU A 101 10.504 1.770 5.651 1.00 0.00 H new ATOM 0 HB2 LEU A 101 9.824 2.251 3.471 1.00 0.00 H new ATOM 0 HB3 LEU A 101 8.591 1.243 4.204 1.00 0.00 H new ATOM 0 HG LEU A 101 8.135 4.178 4.342 1.00 0.00 H new ATOM 0 HD11 LEU A 101 7.284 4.286 2.038 1.00 0.00 H new ATOM 0 HD12 LEU A 101 9.039 3.991 2.092 1.00 0.00 H new ATOM 0 HD13 LEU A 101 7.922 2.653 1.732 1.00 0.00 H new ATOM 0 HD21 LEU A 101 5.820 3.492 3.884 1.00 0.00 H new ATOM 0 HD22 LEU A 101 6.362 1.807 3.698 1.00 0.00 H new ATOM 0 HD23 LEU A 101 6.515 2.622 5.273 1.00 0.00 H new ATOM 1488 N GLY A 102 11.366 4.110 5.134 1.00 0.00 N ATOM 1489 CA GLY A 102 12.022 5.403 5.223 1.00 0.00 C ATOM 1490 C GLY A 102 12.675 5.594 6.593 1.00 0.00 C ATOM 1491 O GLY A 102 13.467 4.759 7.029 1.00 0.00 O ATOM 0 H GLY A 102 11.844 3.429 4.543 1.00 0.00 H new ATOM 0 HA2 GLY A 102 12.777 5.486 4.442 1.00 0.00 H new ATOM 0 HA3 GLY A 102 11.295 6.196 5.049 1.00 0.00 H new ATOM 1495 N GLU A 103 12.319 6.697 7.235 1.00 0.00 N ATOM 1496 CA GLU A 103 12.860 7.008 8.547 1.00 0.00 C ATOM 1497 C GLU A 103 11.819 6.724 9.631 1.00 0.00 C ATOM 1498 O GLU A 103 11.981 5.799 10.426 1.00 0.00 O ATOM 1499 CB GLU A 103 13.339 8.460 8.612 1.00 0.00 C ATOM 1500 CG GLU A 103 14.359 8.751 7.510 1.00 0.00 C ATOM 1501 CD GLU A 103 15.371 9.805 7.964 1.00 0.00 C ATOM 1502 OE1 GLU A 103 14.917 10.813 8.549 1.00 0.00 O ATOM 1503 OE2 GLU A 103 16.575 9.580 7.716 1.00 0.00 O ATOM 0 H GLU A 103 11.662 7.387 6.871 1.00 0.00 H new ATOM 0 HA GLU A 103 13.724 6.367 8.724 1.00 0.00 H new ATOM 0 HB2 GLU A 103 12.487 9.132 8.511 1.00 0.00 H new ATOM 0 HB3 GLU A 103 13.786 8.656 9.587 1.00 0.00 H new ATOM 0 HG2 GLU A 103 14.881 7.833 7.241 1.00 0.00 H new ATOM 0 HG3 GLU A 103 13.843 9.099 6.615 1.00 0.00 H new ATOM 1510 N TYR A 104 10.773 7.537 9.629 1.00 0.00 N ATOM 1511 CA TYR A 104 9.705 7.385 10.603 1.00 0.00 C ATOM 1512 C TYR A 104 8.337 7.377 9.920 1.00 0.00 C ATOM 1513 O TYR A 104 7.436 8.115 10.317 1.00 0.00 O ATOM 1514 CB TYR A 104 9.796 8.605 11.522 1.00 0.00 C ATOM 1515 CG TYR A 104 11.037 8.620 12.417 1.00 0.00 C ATOM 1516 CD1 TYR A 104 11.028 7.943 13.620 1.00 0.00 C ATOM 1517 CD2 TYR A 104 12.166 9.308 12.021 1.00 0.00 C ATOM 1518 CE1 TYR A 104 12.197 7.957 14.462 1.00 0.00 C ATOM 1519 CE2 TYR A 104 13.334 9.322 12.863 1.00 0.00 C ATOM 1520 CZ TYR A 104 13.292 8.645 14.042 1.00 0.00 C ATOM 1521 OH TYR A 104 14.395 8.658 14.837 1.00 0.00 O ATOM 0 H TYR A 104 10.642 8.303 8.968 1.00 0.00 H new ATOM 0 HA TYR A 104 9.810 6.445 11.144 1.00 0.00 H new ATOM 0 HB2 TYR A 104 9.790 9.508 10.911 1.00 0.00 H new ATOM 0 HB3 TYR A 104 8.907 8.640 12.151 1.00 0.00 H new ATOM 0 HD1 TYR A 104 10.145 7.403 13.930 1.00 0.00 H new ATOM 0 HD2 TYR A 104 12.173 9.836 11.079 1.00 0.00 H new ATOM 0 HE1 TYR A 104 12.203 7.433 15.406 1.00 0.00 H new ATOM 0 HE2 TYR A 104 14.223 9.858 12.565 1.00 0.00 H new ATOM 0 HH TYR A 104 15.100 9.187 14.409 1.00 0.00 H new ATOM 1531 N THR A 105 8.223 6.535 8.903 1.00 0.00 N ATOM 1532 CA THR A 105 6.980 6.421 8.161 1.00 0.00 C ATOM 1533 C THR A 105 6.379 5.025 8.337 1.00 0.00 C ATOM 1534 O THR A 105 7.010 4.027 7.994 1.00 0.00 O ATOM 1535 CB THR A 105 7.266 6.780 6.701 1.00 0.00 C ATOM 1536 OG1 THR A 105 7.296 8.204 6.693 1.00 0.00 O ATOM 1537 CG2 THR A 105 6.103 6.426 5.772 1.00 0.00 C ATOM 0 H THR A 105 8.972 5.925 8.576 1.00 0.00 H new ATOM 0 HA THR A 105 6.229 7.114 8.540 1.00 0.00 H new ATOM 0 HB THR A 105 8.166 6.261 6.370 1.00 0.00 H new ATOM 0 HG1 THR A 105 7.478 8.522 5.784 1.00 0.00 H new ATOM 0 HG21 THR A 105 6.358 6.701 4.749 1.00 0.00 H new ATOM 0 HG22 THR A 105 5.910 5.354 5.822 1.00 0.00 H new ATOM 0 HG23 THR A 105 5.211 6.970 6.082 1.00 0.00 H new ATOM 1545 N SER A 106 5.167 5.001 8.872 1.00 0.00 N ATOM 1546 CA SER A 106 4.474 3.744 9.098 1.00 0.00 C ATOM 1547 C SER A 106 3.160 3.723 8.315 1.00 0.00 C ATOM 1548 O SER A 106 2.421 4.706 8.310 1.00 0.00 O ATOM 1549 CB SER A 106 4.208 3.521 10.588 1.00 0.00 C ATOM 1550 OG SER A 106 5.399 3.628 11.364 1.00 0.00 O ATOM 0 H SER A 106 4.647 5.832 9.155 1.00 0.00 H new ATOM 0 HA SER A 106 5.112 2.934 8.746 1.00 0.00 H new ATOM 0 HB2 SER A 106 3.479 4.251 10.940 1.00 0.00 H new ATOM 0 HB3 SER A 106 3.767 2.535 10.734 1.00 0.00 H new ATOM 0 HG SER A 106 5.188 3.481 12.310 1.00 0.00 H new ATOM 1556 N ILE A 107 2.908 2.591 7.674 1.00 0.00 N ATOM 1557 CA ILE A 107 1.695 2.429 6.890 1.00 0.00 C ATOM 1558 C ILE A 107 0.911 1.225 7.415 1.00 0.00 C ATOM 1559 O ILE A 107 1.471 0.145 7.592 1.00 0.00 O ATOM 1560 CB ILE A 107 2.028 2.344 5.399 1.00 0.00 C ATOM 1561 CG1 ILE A 107 2.968 3.477 4.981 1.00 0.00 C ATOM 1562 CG2 ILE A 107 0.754 2.315 4.553 1.00 0.00 C ATOM 1563 CD1 ILE A 107 3.367 3.344 3.510 1.00 0.00 C ATOM 0 H ILE A 107 3.523 1.777 7.681 1.00 0.00 H new ATOM 0 HA ILE A 107 1.051 3.302 7.000 1.00 0.00 H new ATOM 0 HB ILE A 107 2.554 1.406 5.220 1.00 0.00 H new ATOM 0 HG12 ILE A 107 2.480 4.438 5.144 1.00 0.00 H new ATOM 0 HG13 ILE A 107 3.861 3.463 5.606 1.00 0.00 H new ATOM 0 HG21 ILE A 107 1.019 2.254 3.498 1.00 0.00 H new ATOM 0 HG22 ILE A 107 0.155 1.447 4.827 1.00 0.00 H new ATOM 0 HG23 ILE A 107 0.178 3.223 4.731 1.00 0.00 H new ATOM 0 HD11 ILE A 107 4.035 4.162 3.239 1.00 0.00 H new ATOM 0 HD12 ILE A 107 3.876 2.393 3.356 1.00 0.00 H new ATOM 0 HD13 ILE A 107 2.474 3.383 2.886 1.00 0.00 H new ATOM 1575 N LEU A 108 -0.374 1.452 7.648 1.00 0.00 N ATOM 1576 CA LEU A 108 -1.241 0.399 8.149 1.00 0.00 C ATOM 1577 C LEU A 108 -1.991 -0.238 6.977 1.00 0.00 C ATOM 1578 O LEU A 108 -2.460 0.462 6.081 1.00 0.00 O ATOM 1579 CB LEU A 108 -2.160 0.939 9.246 1.00 0.00 C ATOM 1580 CG LEU A 108 -2.474 -0.025 10.392 1.00 0.00 C ATOM 1581 CD1 LEU A 108 -2.833 0.738 11.668 1.00 0.00 C ATOM 1582 CD2 LEU A 108 -3.568 -1.017 9.990 1.00 0.00 C ATOM 0 H LEU A 108 -0.835 2.350 7.499 1.00 0.00 H new ATOM 0 HA LEU A 108 -0.652 -0.389 8.618 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -1.704 1.835 9.666 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -3.100 1.245 8.787 1.00 0.00 H new ATOM 0 HG LEU A 108 -1.576 -0.605 10.606 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -3.052 0.029 12.467 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -1.995 1.369 11.963 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -3.709 1.360 11.485 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -3.772 -1.691 10.822 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -4.476 -0.472 9.733 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -3.236 -1.596 9.128 1.00 0.00 H new ATOM 1594 N VAL A 109 -2.080 -1.560 7.022 1.00 0.00 N ATOM 1595 CA VAL A 109 -2.765 -2.299 5.976 1.00 0.00 C ATOM 1596 C VAL A 109 -4.145 -2.727 6.480 1.00 0.00 C ATOM 1597 O VAL A 109 -4.250 -3.499 7.432 1.00 0.00 O ATOM 1598 CB VAL A 109 -1.904 -3.478 5.519 1.00 0.00 C ATOM 1599 CG1 VAL A 109 -2.695 -4.413 4.603 1.00 0.00 C ATOM 1600 CG2 VAL A 109 -0.626 -2.990 4.832 1.00 0.00 C ATOM 0 H VAL A 109 -1.689 -2.137 7.766 1.00 0.00 H new ATOM 0 HA VAL A 109 -2.920 -1.668 5.101 1.00 0.00 H new ATOM 0 HB VAL A 109 -1.614 -4.043 6.405 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -2.059 -5.242 4.293 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -3.561 -4.801 5.139 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -3.029 -3.863 3.723 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -0.032 -3.848 4.517 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -0.888 -2.390 3.960 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -0.047 -2.384 5.529 1.00 0.00 H new ATOM 1610 N ASN A 110 -5.169 -2.208 5.818 1.00 0.00 N ATOM 1611 CA ASN A 110 -6.537 -2.527 6.186 1.00 0.00 C ATOM 1612 C ASN A 110 -7.274 -3.081 4.965 1.00 0.00 C ATOM 1613 O ASN A 110 -7.161 -2.537 3.868 1.00 0.00 O ATOM 1614 CB ASN A 110 -7.284 -1.280 6.663 1.00 0.00 C ATOM 1615 CG ASN A 110 -7.375 -1.245 8.190 1.00 0.00 C ATOM 1616 OD1 ASN A 110 -8.422 -1.009 8.770 1.00 0.00 O ATOM 1617 ND2 ASN A 110 -6.223 -1.494 8.806 1.00 0.00 N ATOM 0 H ASN A 110 -5.078 -1.568 5.029 1.00 0.00 H new ATOM 0 HA ASN A 110 -6.507 -3.260 6.992 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -6.773 -0.386 6.305 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -8.286 -1.266 6.235 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -6.179 -1.495 9.825 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -5.383 -1.684 8.259 1.00 0.00 H new ATOM 1624 N PHE A 111 -8.013 -4.156 5.197 1.00 0.00 N ATOM 1625 CA PHE A 111 -8.768 -4.789 4.129 1.00 0.00 C ATOM 1626 C PHE A 111 -10.234 -4.352 4.160 1.00 0.00 C ATOM 1627 O PHE A 111 -10.993 -4.775 5.031 1.00 0.00 O ATOM 1628 CB PHE A 111 -8.693 -6.300 4.364 1.00 0.00 C ATOM 1629 CG PHE A 111 -7.323 -6.909 4.060 1.00 0.00 C ATOM 1630 CD1 PHE A 111 -6.609 -6.477 2.987 1.00 0.00 C ATOM 1631 CD2 PHE A 111 -6.820 -7.885 4.864 1.00 0.00 C ATOM 1632 CE1 PHE A 111 -5.338 -7.043 2.705 1.00 0.00 C ATOM 1633 CE2 PHE A 111 -5.549 -8.451 4.582 1.00 0.00 C ATOM 1634 CZ PHE A 111 -4.834 -8.018 3.509 1.00 0.00 C ATOM 0 H PHE A 111 -8.105 -4.604 6.108 1.00 0.00 H new ATOM 0 HA PHE A 111 -8.353 -4.506 3.161 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -8.950 -6.509 5.402 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -9.443 -6.791 3.745 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -7.009 -5.703 2.349 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -7.387 -8.229 5.716 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -4.771 -6.700 1.852 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -5.150 -9.226 5.220 1.00 0.00 H new ATOM 0 HZ PHE A 111 -3.867 -8.448 3.295 1.00 0.00 H new ATOM 1644 N VAL A 112 -10.588 -3.511 3.200 1.00 0.00 N ATOM 1645 CA VAL A 112 -11.949 -3.012 3.106 1.00 0.00 C ATOM 1646 C VAL A 112 -12.783 -3.972 2.256 1.00 0.00 C ATOM 1647 O VAL A 112 -12.629 -4.020 1.036 1.00 0.00 O ATOM 1648 CB VAL A 112 -11.946 -1.582 2.563 1.00 0.00 C ATOM 1649 CG1 VAL A 112 -13.285 -0.891 2.829 1.00 0.00 C ATOM 1650 CG2 VAL A 112 -10.786 -0.774 3.150 1.00 0.00 C ATOM 0 H VAL A 112 -9.955 -3.162 2.480 1.00 0.00 H new ATOM 0 HA VAL A 112 -12.408 -2.970 4.094 1.00 0.00 H new ATOM 0 HB VAL A 112 -11.805 -1.635 1.483 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -13.256 0.124 2.433 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -14.085 -1.448 2.341 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -13.470 -0.856 3.903 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -10.807 0.239 2.747 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -10.882 -0.735 4.235 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -9.841 -1.249 2.886 1.00 0.00 H new ATOM 1660 N SER A 113 -13.646 -4.714 2.933 1.00 0.00 N ATOM 1661 CA SER A 113 -14.504 -5.671 2.255 1.00 0.00 C ATOM 1662 C SER A 113 -15.911 -5.090 2.093 1.00 0.00 C ATOM 1663 O SER A 113 -16.437 -5.029 0.983 1.00 0.00 O ATOM 1664 CB SER A 113 -14.562 -6.996 3.017 1.00 0.00 C ATOM 1665 OG SER A 113 -13.972 -8.063 2.279 1.00 0.00 O ATOM 0 H SER A 113 -13.770 -4.672 3.945 1.00 0.00 H new ATOM 0 HA SER A 113 -14.083 -5.868 1.269 1.00 0.00 H new ATOM 0 HB2 SER A 113 -14.048 -6.888 3.972 1.00 0.00 H new ATOM 0 HB3 SER A 113 -15.600 -7.241 3.240 1.00 0.00 H new ATOM 0 HG SER A 113 -14.027 -8.891 2.800 1.00 0.00 H new ATOM 1671 N GLY A 114 -16.479 -4.678 3.217 1.00 0.00 N ATOM 1672 CA GLY A 114 -17.814 -4.105 3.213 1.00 0.00 C ATOM 1673 C GLY A 114 -18.344 -3.941 4.639 1.00 0.00 C ATOM 1674 O GLY A 114 -17.601 -4.112 5.605 1.00 0.00 O ATOM 0 H GLY A 114 -16.039 -4.730 4.136 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -17.796 -3.136 2.714 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -18.487 -4.745 2.642 1.00 0.00 H new ATOM 1678 N PRO A 115 -19.658 -3.603 4.729 1.00 0.00 N ATOM 1679 CA PRO A 115 -20.296 -3.414 6.021 1.00 0.00 C ATOM 1680 C PRO A 115 -20.560 -4.758 6.703 1.00 0.00 C ATOM 1681 O PRO A 115 -20.661 -5.787 6.037 1.00 0.00 O ATOM 1682 CB PRO A 115 -21.569 -2.640 5.721 1.00 0.00 C ATOM 1683 CG PRO A 115 -21.832 -2.827 4.236 1.00 0.00 C ATOM 1684 CD PRO A 115 -20.568 -3.391 3.607 1.00 0.00 C ATOM 0 HA PRO A 115 -19.669 -2.866 6.724 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -22.403 -3.014 6.315 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -21.451 -1.585 5.967 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -22.672 -3.504 4.079 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -22.098 -1.877 3.773 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -20.770 -4.323 3.080 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -20.145 -2.698 2.879 1.00 0.00 H new ATOM 1692 N SER A 116 -20.663 -4.704 8.023 1.00 0.00 N ATOM 1693 CA SER A 116 -20.913 -5.905 8.803 1.00 0.00 C ATOM 1694 C SER A 116 -22.365 -5.922 9.286 1.00 0.00 C ATOM 1695 O SER A 116 -22.817 -4.981 9.938 1.00 0.00 O ATOM 1696 CB SER A 116 -19.956 -5.997 9.993 1.00 0.00 C ATOM 1697 OG SER A 116 -19.957 -7.296 10.579 1.00 0.00 O ATOM 0 H SER A 116 -20.578 -3.848 8.572 1.00 0.00 H new ATOM 0 HA SER A 116 -20.739 -6.771 8.164 1.00 0.00 H new ATOM 0 HB2 SER A 116 -18.946 -5.747 9.667 1.00 0.00 H new ATOM 0 HB3 SER A 116 -20.240 -5.260 10.744 1.00 0.00 H new ATOM 0 HG SER A 116 -19.333 -7.315 11.334 1.00 0.00 H new ATOM 1703 N SER A 117 -23.055 -7.001 8.948 1.00 0.00 N ATOM 1704 CA SER A 117 -24.446 -7.153 9.339 1.00 0.00 C ATOM 1705 C SER A 117 -24.747 -8.623 9.640 1.00 0.00 C ATOM 1706 O SER A 117 -24.970 -9.414 8.725 1.00 0.00 O ATOM 1707 CB SER A 117 -25.385 -6.631 8.250 1.00 0.00 C ATOM 1708 OG SER A 117 -26.745 -6.626 8.675 1.00 0.00 O ATOM 0 H SER A 117 -22.677 -7.779 8.407 1.00 0.00 H new ATOM 0 HA SER A 117 -24.615 -6.562 10.239 1.00 0.00 H new ATOM 0 HB2 SER A 117 -25.089 -5.620 7.970 1.00 0.00 H new ATOM 0 HB3 SER A 117 -25.286 -7.250 7.359 1.00 0.00 H new ATOM 0 HG SER A 117 -27.312 -6.285 7.952 1.00 0.00 H new ATOM 1714 N GLY A 118 -24.745 -8.943 10.926 1.00 0.00 N ATOM 1715 CA GLY A 118 -25.016 -10.304 11.358 1.00 0.00 C ATOM 1716 C GLY A 118 -25.363 -10.347 12.848 1.00 0.00 C ATOM 1717 O GLY A 118 -26.499 -10.640 13.216 1.00 0.00 O ATOM 0 H GLY A 118 -24.560 -8.284 11.682 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -25.841 -10.717 10.777 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -24.145 -10.931 11.165 1.00 0.00 H new TER 1721 GLY A 118