USER MOD reduce.3.24.130724 H: found=0, std=0, add=436, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 434 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 24 HIS : no HE2:sc= -2.89 K(o=-2.9,f=-3.7!) USER MOD Set 1.2: A 25 THR OG1 : rot 180:sc= -0.0318 USER MOD Single : A 1 GLY N :NH3+ -114:sc= 0.0643 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 21:sc= 0.39 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl -121:sc= -1.82 (180deg=-4.65!) USER MOD Single : A 28 LYS NZ :NH3+ 152:sc= -0.01 (180deg=-0.523) USER MOD Single : A 33 THR OG1 : rot -69:sc= 0.357 USER MOD Single : A 36 LYS NZ :NH3+ -108:sc= -1.57! (180deg=-4.37!) USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.174 USER MOD Single : A 46 HIS : no HD1:sc= -0.352 X(o=-0.35,f=0.088) USER MOD Single : A 48 HIS : no HD1:sc= -14.3! C(o=-14!,f=-17!) USER MOD Single : A 49 CYS SG : rot -71:sc= -1.78 USER MOD Single : A 50 ASN : amide:sc= -0.0464 K(o=-0.046,f=-1.2) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -19.740 -4.921 -18.892 1.00 0.00 N ATOM 2 CA GLY A 1 -20.419 -5.843 -19.784 1.00 0.00 C ATOM 3 C GLY A 1 -21.290 -6.835 -19.039 1.00 0.00 C ATOM 4 O GLY A 1 -21.153 -7.005 -17.828 1.00 0.00 O ATOM 0 H1 GLY A 1 -20.099 -3.958 -19.049 1.00 0.00 H new ATOM 0 H2 GLY A 1 -19.916 -5.199 -17.906 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.718 -4.944 -19.081 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -21.034 -5.279 -20.485 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -19.679 -6.385 -20.373 1.00 0.00 H new ATOM 8 N SER A 2 -22.191 -7.490 -19.765 1.00 0.00 N ATOM 9 CA SER A 2 -23.092 -8.467 -19.164 1.00 0.00 C ATOM 10 C SER A 2 -22.356 -9.329 -18.143 1.00 0.00 C ATOM 11 O SER A 2 -22.797 -9.473 -17.003 1.00 0.00 O ATOM 12 CB SER A 2 -23.712 -9.353 -20.246 1.00 0.00 C ATOM 13 OG SER A 2 -24.676 -8.639 -21.000 1.00 0.00 O ATOM 0 H SER A 2 -22.316 -7.362 -20.769 1.00 0.00 H new ATOM 0 HA SER A 2 -23.886 -7.925 -18.650 1.00 0.00 H new ATOM 0 HB2 SER A 2 -22.930 -9.724 -20.908 1.00 0.00 H new ATOM 0 HB3 SER A 2 -24.179 -10.223 -19.784 1.00 0.00 H new ATOM 0 HG SER A 2 -25.056 -9.227 -21.686 1.00 0.00 H new ATOM 19 N SER A 3 -21.233 -9.902 -18.563 1.00 0.00 N ATOM 20 CA SER A 3 -20.436 -10.754 -17.687 1.00 0.00 C ATOM 21 C SER A 3 -20.329 -10.149 -16.291 1.00 0.00 C ATOM 22 O SER A 3 -20.623 -10.806 -15.293 1.00 0.00 O ATOM 23 CB SER A 3 -19.039 -10.960 -18.275 1.00 0.00 C ATOM 24 OG SER A 3 -18.394 -12.072 -17.679 1.00 0.00 O ATOM 0 H SER A 3 -20.854 -9.792 -19.504 1.00 0.00 H new ATOM 0 HA SER A 3 -20.935 -11.720 -17.608 1.00 0.00 H new ATOM 0 HB2 SER A 3 -19.113 -11.113 -19.352 1.00 0.00 H new ATOM 0 HB3 SER A 3 -18.440 -10.062 -18.121 1.00 0.00 H new ATOM 0 HG SER A 3 -17.504 -12.184 -18.073 1.00 0.00 H new ATOM 30 N GLY A 4 -19.906 -8.890 -16.229 1.00 0.00 N ATOM 31 CA GLY A 4 -19.767 -8.216 -14.951 1.00 0.00 C ATOM 32 C GLY A 4 -18.402 -7.580 -14.776 1.00 0.00 C ATOM 33 O GLY A 4 -17.403 -8.089 -15.284 1.00 0.00 O ATOM 0 H GLY A 4 -19.657 -8.325 -17.041 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -20.536 -7.448 -14.863 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -19.937 -8.931 -14.146 1.00 0.00 H new ATOM 37 N SER A 5 -18.359 -6.463 -14.057 1.00 0.00 N ATOM 38 CA SER A 5 -17.107 -5.753 -13.822 1.00 0.00 C ATOM 39 C SER A 5 -16.713 -5.821 -12.350 1.00 0.00 C ATOM 40 O SER A 5 -17.449 -6.359 -11.523 1.00 0.00 O ATOM 41 CB SER A 5 -17.234 -4.293 -14.261 1.00 0.00 C ATOM 42 OG SER A 5 -17.531 -4.200 -15.643 1.00 0.00 O ATOM 0 H SER A 5 -19.176 -6.030 -13.627 1.00 0.00 H new ATOM 0 HA SER A 5 -16.328 -6.235 -14.412 1.00 0.00 H new ATOM 0 HB2 SER A 5 -18.018 -3.803 -13.684 1.00 0.00 H new ATOM 0 HB3 SER A 5 -16.305 -3.764 -14.049 1.00 0.00 H new ATOM 0 HG SER A 5 -17.609 -3.257 -15.898 1.00 0.00 H new ATOM 48 N SER A 6 -15.545 -5.272 -12.030 1.00 0.00 N ATOM 49 CA SER A 6 -15.050 -5.273 -10.659 1.00 0.00 C ATOM 50 C SER A 6 -14.787 -3.850 -10.175 1.00 0.00 C ATOM 51 O SER A 6 -14.454 -2.966 -10.963 1.00 0.00 O ATOM 52 CB SER A 6 -13.768 -6.103 -10.558 1.00 0.00 C ATOM 53 OG SER A 6 -13.348 -6.230 -9.210 1.00 0.00 O ATOM 0 H SER A 6 -14.924 -4.821 -12.702 1.00 0.00 H new ATOM 0 HA SER A 6 -15.815 -5.719 -10.023 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.937 -7.092 -10.984 1.00 0.00 H new ATOM 0 HB3 SER A 6 -12.979 -5.633 -11.145 1.00 0.00 H new ATOM 0 HG SER A 6 -12.528 -6.766 -9.172 1.00 0.00 H new ATOM 59 N GLY A 7 -14.940 -3.637 -8.872 1.00 0.00 N ATOM 60 CA GLY A 7 -14.717 -2.321 -8.304 1.00 0.00 C ATOM 61 C GLY A 7 -14.864 -2.307 -6.795 1.00 0.00 C ATOM 62 O GLY A 7 -15.351 -3.270 -6.204 1.00 0.00 O ATOM 0 H GLY A 7 -15.215 -4.353 -8.199 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -13.718 -1.978 -8.572 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -15.424 -1.616 -8.741 1.00 0.00 H new ATOM 66 N SER A 8 -14.440 -1.213 -6.171 1.00 0.00 N ATOM 67 CA SER A 8 -14.523 -1.080 -4.721 1.00 0.00 C ATOM 68 C SER A 8 -14.595 0.388 -4.313 1.00 0.00 C ATOM 69 O SER A 8 -13.729 1.187 -4.669 1.00 0.00 O ATOM 70 CB SER A 8 -13.316 -1.746 -4.057 1.00 0.00 C ATOM 71 OG SER A 8 -12.130 -1.007 -4.295 1.00 0.00 O ATOM 0 H SER A 8 -14.036 -0.406 -6.646 1.00 0.00 H new ATOM 0 HA SER A 8 -15.434 -1.577 -4.387 1.00 0.00 H new ATOM 0 HB2 SER A 8 -13.487 -1.829 -2.984 1.00 0.00 H new ATOM 0 HB3 SER A 8 -13.200 -2.760 -4.440 1.00 0.00 H new ATOM 0 HG SER A 8 -12.361 -0.085 -4.532 1.00 0.00 H new ATOM 77 N SER A 9 -15.636 0.737 -3.563 1.00 0.00 N ATOM 78 CA SER A 9 -15.826 2.109 -3.109 1.00 0.00 C ATOM 79 C SER A 9 -14.590 2.613 -2.369 1.00 0.00 C ATOM 80 O SER A 9 -13.774 1.836 -1.872 1.00 0.00 O ATOM 81 CB SER A 9 -17.052 2.203 -2.200 1.00 0.00 C ATOM 82 OG SER A 9 -18.239 2.362 -2.958 1.00 0.00 O ATOM 0 H SER A 9 -16.361 0.088 -3.257 1.00 0.00 H new ATOM 0 HA SER A 9 -15.984 2.737 -3.986 1.00 0.00 H new ATOM 0 HB2 SER A 9 -17.125 1.303 -1.589 1.00 0.00 H new ATOM 0 HB3 SER A 9 -16.938 3.044 -1.516 1.00 0.00 H new ATOM 0 HG SER A 9 -19.008 2.418 -2.353 1.00 0.00 H new ATOM 88 N PRO A 10 -14.448 3.944 -2.295 1.00 0.00 N ATOM 89 CA PRO A 10 -13.315 4.582 -1.618 1.00 0.00 C ATOM 90 C PRO A 10 -13.370 4.405 -0.104 1.00 0.00 C ATOM 91 O PRO A 10 -14.057 5.150 0.593 1.00 0.00 O ATOM 92 CB PRO A 10 -13.466 6.060 -1.989 1.00 0.00 C ATOM 93 CG PRO A 10 -14.918 6.232 -2.273 1.00 0.00 C ATOM 94 CD PRO A 10 -15.382 4.929 -2.865 1.00 0.00 C ATOM 0 HA PRO A 10 -12.362 4.147 -1.921 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -13.142 6.708 -1.174 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -12.860 6.314 -2.858 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -15.469 6.465 -1.362 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -15.085 7.057 -2.966 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -16.414 4.709 -2.592 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -15.336 4.943 -3.954 1.00 0.00 H new ATOM 102 N SER A 11 -12.640 3.414 0.398 1.00 0.00 N ATOM 103 CA SER A 11 -12.608 3.137 1.829 1.00 0.00 C ATOM 104 C SER A 11 -11.177 3.165 2.356 1.00 0.00 C ATOM 105 O SER A 11 -10.837 3.976 3.219 1.00 0.00 O ATOM 106 CB SER A 11 -13.244 1.776 2.121 1.00 0.00 C ATOM 107 OG SER A 11 -13.831 1.753 3.410 1.00 0.00 O ATOM 0 H SER A 11 -12.063 2.790 -0.165 1.00 0.00 H new ATOM 0 HA SER A 11 -13.179 3.914 2.337 1.00 0.00 H new ATOM 0 HB2 SER A 11 -14.002 1.557 1.369 1.00 0.00 H new ATOM 0 HB3 SER A 11 -12.487 0.995 2.049 1.00 0.00 H new ATOM 0 HG SER A 11 -14.232 0.873 3.571 1.00 0.00 H new ATOM 113 N LEU A 12 -10.342 2.275 1.832 1.00 0.00 N ATOM 114 CA LEU A 12 -8.946 2.197 2.249 1.00 0.00 C ATOM 115 C LEU A 12 -8.152 3.386 1.718 1.00 0.00 C ATOM 116 O LEU A 12 -7.237 3.880 2.378 1.00 0.00 O ATOM 117 CB LEU A 12 -8.320 0.891 1.759 1.00 0.00 C ATOM 118 CG LEU A 12 -9.052 -0.393 2.149 1.00 0.00 C ATOM 119 CD1 LEU A 12 -8.745 -1.506 1.159 1.00 0.00 C ATOM 120 CD2 LEU A 12 -8.673 -0.815 3.562 1.00 0.00 C ATOM 0 H LEU A 12 -10.607 1.597 1.117 1.00 0.00 H new ATOM 0 HA LEU A 12 -8.915 2.221 3.338 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -8.251 0.930 0.672 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -7.301 0.834 2.141 1.00 0.00 H new ATOM 0 HG LEU A 12 -10.124 -0.198 2.124 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -9.275 -2.412 1.454 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -9.067 -1.205 0.162 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -7.672 -1.700 1.151 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -9.203 -1.731 3.823 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -7.599 -0.991 3.613 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -8.945 -0.026 4.263 1.00 0.00 H new ATOM 132 N LEU A 13 -8.509 3.843 0.523 1.00 0.00 N ATOM 133 CA LEU A 13 -7.831 4.976 -0.097 1.00 0.00 C ATOM 134 C LEU A 13 -8.209 6.282 0.596 1.00 0.00 C ATOM 135 O LEU A 13 -7.405 7.210 0.671 1.00 0.00 O ATOM 136 CB LEU A 13 -8.181 5.054 -1.584 1.00 0.00 C ATOM 137 CG LEU A 13 -7.461 4.061 -2.496 1.00 0.00 C ATOM 138 CD1 LEU A 13 -5.966 4.066 -2.216 1.00 0.00 C ATOM 139 CD2 LEU A 13 -8.034 2.663 -2.321 1.00 0.00 C ATOM 0 H LEU A 13 -9.264 3.446 -0.036 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.756 4.827 0.009 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -9.255 4.903 -1.692 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.964 6.063 -1.935 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.617 4.368 -3.530 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.470 3.353 -2.875 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -5.566 5.064 -2.394 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.789 3.785 -1.178 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -7.509 1.970 -2.978 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -7.910 2.346 -1.286 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -9.094 2.670 -2.574 1.00 0.00 H new ATOM 151 N GLU A 14 -9.437 6.343 1.101 1.00 0.00 N ATOM 152 CA GLU A 14 -9.920 7.535 1.789 1.00 0.00 C ATOM 153 C GLU A 14 -8.848 8.102 2.714 1.00 0.00 C ATOM 154 O GLU A 14 -8.429 9.253 2.588 1.00 0.00 O ATOM 155 CB GLU A 14 -11.182 7.211 2.591 1.00 0.00 C ATOM 156 CG GLU A 14 -12.472 7.479 1.833 1.00 0.00 C ATOM 157 CD GLU A 14 -12.936 8.917 1.960 1.00 0.00 C ATOM 158 OE1 GLU A 14 -13.085 9.392 3.105 1.00 0.00 O ATOM 159 OE2 GLU A 14 -13.150 9.566 0.915 1.00 0.00 O ATOM 0 H GLU A 14 -10.115 5.583 1.047 1.00 0.00 H new ATOM 0 HA GLU A 14 -10.159 8.286 1.036 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -11.155 6.162 2.886 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -11.180 7.800 3.508 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -12.326 7.240 0.780 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -13.252 6.815 2.205 1.00 0.00 H new ATOM 166 N PRO A 15 -8.392 7.276 3.667 1.00 0.00 N ATOM 167 CA PRO A 15 -7.362 7.672 4.632 1.00 0.00 C ATOM 168 C PRO A 15 -5.992 7.838 3.983 1.00 0.00 C ATOM 169 O PRO A 15 -5.244 8.758 4.315 1.00 0.00 O ATOM 170 CB PRO A 15 -7.344 6.510 5.629 1.00 0.00 C ATOM 171 CG PRO A 15 -7.847 5.340 4.856 1.00 0.00 C ATOM 172 CD PRO A 15 -8.845 5.890 3.875 1.00 0.00 C ATOM 0 HA PRO A 15 -7.580 8.638 5.087 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -6.339 6.330 6.010 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -7.979 6.718 6.491 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -7.031 4.833 4.340 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -8.311 4.607 5.516 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -8.847 5.324 2.944 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -9.860 5.854 4.272 1.00 0.00 H new ATOM 180 N LEU A 16 -5.669 6.942 3.056 1.00 0.00 N ATOM 181 CA LEU A 16 -4.389 6.990 2.359 1.00 0.00 C ATOM 182 C LEU A 16 -4.353 8.145 1.363 1.00 0.00 C ATOM 183 O LEU A 16 -3.290 8.514 0.862 1.00 0.00 O ATOM 184 CB LEU A 16 -4.131 5.668 1.634 1.00 0.00 C ATOM 185 CG LEU A 16 -4.000 4.430 2.522 1.00 0.00 C ATOM 186 CD1 LEU A 16 -3.853 3.177 1.672 1.00 0.00 C ATOM 187 CD2 LEU A 16 -2.819 4.575 3.470 1.00 0.00 C ATOM 0 H LEU A 16 -6.276 6.174 2.770 1.00 0.00 H new ATOM 0 HA LEU A 16 -3.606 7.150 3.100 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.944 5.499 0.928 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.217 5.770 1.049 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.908 4.336 3.118 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.761 2.306 2.321 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.731 3.064 1.035 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.962 3.262 1.050 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.742 3.685 4.094 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.902 4.695 2.893 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.966 5.450 4.103 1.00 0.00 H new ATOM 199 N LEU A 17 -5.520 8.713 1.083 1.00 0.00 N ATOM 200 CA LEU A 17 -5.623 9.829 0.148 1.00 0.00 C ATOM 201 C LEU A 17 -5.622 11.162 0.889 1.00 0.00 C ATOM 202 O LEU A 17 -4.905 12.090 0.516 1.00 0.00 O ATOM 203 CB LEU A 17 -6.895 9.700 -0.692 1.00 0.00 C ATOM 204 CG LEU A 17 -6.889 8.603 -1.756 1.00 0.00 C ATOM 205 CD1 LEU A 17 -8.287 8.394 -2.316 1.00 0.00 C ATOM 206 CD2 LEU A 17 -5.912 8.946 -2.871 1.00 0.00 C ATOM 0 H LEU A 17 -6.408 8.420 1.489 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.755 9.800 -0.511 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -7.734 9.521 -0.019 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -7.079 10.655 -1.184 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.564 7.673 -1.289 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -8.263 7.609 -3.072 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -8.961 8.102 -1.511 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -8.641 9.321 -2.767 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -5.921 8.154 -3.619 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -6.206 9.887 -3.335 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.908 9.043 -2.458 1.00 0.00 H new ATOM 218 N ALA A 18 -6.428 11.248 1.943 1.00 0.00 N ATOM 219 CA ALA A 18 -6.516 12.466 2.739 1.00 0.00 C ATOM 220 C ALA A 18 -5.183 12.783 3.407 1.00 0.00 C ATOM 221 O ALA A 18 -4.935 13.918 3.811 1.00 0.00 O ATOM 222 CB ALA A 18 -7.615 12.335 3.783 1.00 0.00 C ATOM 0 H ALA A 18 -7.029 10.489 2.265 1.00 0.00 H new ATOM 0 HA ALA A 18 -6.762 13.291 2.070 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -7.670 13.252 4.370 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -8.570 12.165 3.286 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -7.393 11.495 4.441 1.00 0.00 H new ATOM 228 N MET A 19 -4.328 11.771 3.522 1.00 0.00 N ATOM 229 CA MET A 19 -3.020 11.943 4.141 1.00 0.00 C ATOM 230 C MET A 19 -2.066 12.676 3.203 1.00 0.00 C ATOM 231 O MET A 19 -1.102 13.300 3.646 1.00 0.00 O ATOM 232 CB MET A 19 -2.431 10.584 4.526 1.00 0.00 C ATOM 233 CG MET A 19 -3.131 9.931 5.707 1.00 0.00 C ATOM 234 SD MET A 19 -2.393 10.383 7.289 1.00 0.00 S ATOM 235 CE MET A 19 -1.401 8.930 7.626 1.00 0.00 C ATOM 0 H MET A 19 -4.518 10.824 3.194 1.00 0.00 H new ATOM 0 HA MET A 19 -3.149 12.544 5.041 1.00 0.00 H new ATOM 0 HB2 MET A 19 -2.487 9.916 3.666 1.00 0.00 H new ATOM 0 HB3 MET A 19 -1.375 10.709 4.764 1.00 0.00 H new ATOM 0 HG2 MET A 19 -4.182 10.219 5.706 1.00 0.00 H new ATOM 0 HG3 MET A 19 -3.097 8.848 5.591 1.00 0.00 H new ATOM 0 HE1 MET A 19 -1.716 8.486 8.570 1.00 0.00 H new ATOM 0 HE2 MET A 19 -1.532 8.205 6.822 1.00 0.00 H new ATOM 0 HE3 MET A 19 -0.351 9.214 7.691 1.00 0.00 H new ATOM 245 N GLY A 20 -2.341 12.596 1.905 1.00 0.00 N ATOM 246 CA GLY A 20 -1.498 13.255 0.925 1.00 0.00 C ATOM 247 C GLY A 20 -1.010 12.308 -0.152 1.00 0.00 C ATOM 248 O GLY A 20 -0.687 12.731 -1.262 1.00 0.00 O ATOM 0 H GLY A 20 -3.133 12.086 1.514 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -2.054 14.071 0.462 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -0.640 13.700 1.429 1.00 0.00 H new ATOM 252 N PHE A 21 -0.955 11.021 0.174 1.00 0.00 N ATOM 253 CA PHE A 21 -0.501 10.010 -0.774 1.00 0.00 C ATOM 254 C PHE A 21 -1.504 9.840 -1.910 1.00 0.00 C ATOM 255 O PHE A 21 -2.718 9.824 -1.703 1.00 0.00 O ATOM 256 CB PHE A 21 -0.287 8.672 -0.062 1.00 0.00 C ATOM 257 CG PHE A 21 0.391 8.804 1.271 1.00 0.00 C ATOM 258 CD1 PHE A 21 1.767 8.941 1.353 1.00 0.00 C ATOM 259 CD2 PHE A 21 -0.348 8.791 2.444 1.00 0.00 C ATOM 260 CE1 PHE A 21 2.394 9.062 2.579 1.00 0.00 C ATOM 261 CE2 PHE A 21 0.273 8.912 3.673 1.00 0.00 C ATOM 262 CZ PHE A 21 1.646 9.048 3.740 1.00 0.00 C ATOM 0 H PHE A 21 -1.219 10.653 1.088 1.00 0.00 H new ATOM 0 HA PHE A 21 0.446 10.344 -1.197 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -1.252 8.185 0.077 1.00 0.00 H new ATOM 0 HB3 PHE A 21 0.309 8.021 -0.701 1.00 0.00 H new ATOM 0 HD1 PHE A 21 2.357 8.953 0.448 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -1.422 8.685 2.397 1.00 0.00 H new ATOM 0 HE1 PHE A 21 3.468 9.167 2.629 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -0.314 8.900 4.579 1.00 0.00 H new ATOM 0 HZ PHE A 21 2.134 9.143 4.699 1.00 0.00 H new ATOM 272 N PRO A 22 -0.987 9.711 -3.141 1.00 0.00 N ATOM 273 CA PRO A 22 -1.819 9.540 -4.336 1.00 0.00 C ATOM 274 C PRO A 22 -2.505 8.179 -4.375 1.00 0.00 C ATOM 275 O PRO A 22 -2.585 7.483 -3.362 1.00 0.00 O ATOM 276 CB PRO A 22 -0.819 9.668 -5.487 1.00 0.00 C ATOM 277 CG PRO A 22 0.491 9.273 -4.896 1.00 0.00 C ATOM 278 CD PRO A 22 0.450 9.722 -3.461 1.00 0.00 C ATOM 0 HA PRO A 22 -2.629 10.268 -4.375 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -1.089 9.019 -6.320 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -0.788 10.687 -5.873 1.00 0.00 H new ATOM 0 HG2 PRO A 22 0.641 8.195 -4.964 1.00 0.00 H new ATOM 0 HG3 PRO A 22 1.317 9.744 -5.429 1.00 0.00 H new ATOM 0 HD2 PRO A 22 1.011 9.049 -2.813 1.00 0.00 H new ATOM 0 HD3 PRO A 22 0.881 10.715 -3.338 1.00 0.00 H new ATOM 286 N VAL A 23 -2.998 7.803 -5.550 1.00 0.00 N ATOM 287 CA VAL A 23 -3.676 6.523 -5.721 1.00 0.00 C ATOM 288 C VAL A 23 -2.680 5.411 -6.030 1.00 0.00 C ATOM 289 O VAL A 23 -2.559 4.445 -5.276 1.00 0.00 O ATOM 290 CB VAL A 23 -4.722 6.588 -6.850 1.00 0.00 C ATOM 291 CG1 VAL A 23 -5.110 5.188 -7.300 1.00 0.00 C ATOM 292 CG2 VAL A 23 -5.945 7.371 -6.398 1.00 0.00 C ATOM 0 H VAL A 23 -2.941 8.366 -6.398 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.181 6.304 -4.780 1.00 0.00 H new ATOM 0 HB VAL A 23 -4.281 7.107 -7.701 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.850 5.254 -8.098 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -4.226 4.666 -7.667 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -5.532 4.639 -6.458 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -6.674 7.407 -7.208 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.390 6.883 -5.531 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -5.649 8.385 -6.131 1.00 0.00 H new ATOM 302 N HIS A 24 -1.967 5.554 -7.143 1.00 0.00 N ATOM 303 CA HIS A 24 -0.980 4.561 -7.551 1.00 0.00 C ATOM 304 C HIS A 24 -0.124 4.127 -6.365 1.00 0.00 C ATOM 305 O HIS A 24 0.312 2.977 -6.287 1.00 0.00 O ATOM 306 CB HIS A 24 -0.088 5.123 -8.659 1.00 0.00 C ATOM 307 CG HIS A 24 0.057 6.613 -8.613 1.00 0.00 C ATOM 308 ND1 HIS A 24 -0.236 7.431 -9.683 1.00 0.00 N ATOM 309 CD2 HIS A 24 0.466 7.432 -7.616 1.00 0.00 C ATOM 310 CE1 HIS A 24 -0.013 8.689 -9.347 1.00 0.00 C ATOM 311 NE2 HIS A 24 0.414 8.717 -8.097 1.00 0.00 N ATOM 0 H HIS A 24 -2.054 6.348 -7.778 1.00 0.00 H new ATOM 0 HA HIS A 24 -1.513 3.689 -7.931 1.00 0.00 H new ATOM 0 HB2 HIS A 24 0.900 4.668 -8.585 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -0.500 4.836 -9.626 1.00 0.00 H new ATOM 0 HD1 HIS A 24 -0.573 7.114 -10.592 1.00 0.00 H new ATOM 0 HD2 HIS A 24 0.776 7.131 -6.626 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -0.155 9.548 -9.985 1.00 0.00 H new ATOM 320 N THR A 25 0.114 5.053 -5.442 1.00 0.00 N ATOM 321 CA THR A 25 0.919 4.767 -4.261 1.00 0.00 C ATOM 322 C THR A 25 0.115 3.993 -3.222 1.00 0.00 C ATOM 323 O THR A 25 0.461 2.866 -2.869 1.00 0.00 O ATOM 324 CB THR A 25 1.455 6.061 -3.619 1.00 0.00 C ATOM 325 OG1 THR A 25 2.507 6.607 -4.422 1.00 0.00 O ATOM 326 CG2 THR A 25 1.970 5.794 -2.213 1.00 0.00 C ATOM 0 H THR A 25 -0.240 6.009 -5.490 1.00 0.00 H new ATOM 0 HA THR A 25 1.761 4.159 -4.592 1.00 0.00 H new ATOM 0 HB THR A 25 0.635 6.777 -3.559 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.841 7.430 -4.008 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.343 6.722 -1.780 1.00 0.00 H new ATOM 0 HG22 THR A 25 1.159 5.406 -1.596 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.777 5.062 -2.254 1.00 0.00 H new ATOM 334 N ALA A 26 -0.959 4.605 -2.736 1.00 0.00 N ATOM 335 CA ALA A 26 -1.814 3.972 -1.739 1.00 0.00 C ATOM 336 C ALA A 26 -2.155 2.541 -2.138 1.00 0.00 C ATOM 337 O ALA A 26 -2.324 1.670 -1.283 1.00 0.00 O ATOM 338 CB ALA A 26 -3.086 4.784 -1.542 1.00 0.00 C ATOM 0 H ALA A 26 -1.258 5.539 -3.016 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.268 3.939 -0.796 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -3.715 4.300 -0.795 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.828 5.788 -1.204 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -3.627 4.847 -2.486 1.00 0.00 H new ATOM 344 N LEU A 27 -2.256 2.303 -3.442 1.00 0.00 N ATOM 345 CA LEU A 27 -2.578 0.976 -3.954 1.00 0.00 C ATOM 346 C LEU A 27 -1.402 0.021 -3.771 1.00 0.00 C ATOM 347 O LEU A 27 -1.587 -1.157 -3.463 1.00 0.00 O ATOM 348 CB LEU A 27 -2.957 1.057 -5.434 1.00 0.00 C ATOM 349 CG LEU A 27 -4.200 1.885 -5.764 1.00 0.00 C ATOM 350 CD1 LEU A 27 -4.125 2.417 -7.187 1.00 0.00 C ATOM 351 CD2 LEU A 27 -5.460 1.056 -5.568 1.00 0.00 C ATOM 0 H LEU A 27 -2.120 3.012 -4.163 1.00 0.00 H new ATOM 0 HA LEU A 27 -3.426 0.592 -3.388 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -2.112 1.473 -5.983 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -3.111 0.044 -5.805 1.00 0.00 H new ATOM 0 HG LEU A 27 -4.239 2.735 -5.082 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.018 3.004 -7.404 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -3.242 3.047 -7.294 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -4.061 1.582 -7.885 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -6.335 1.661 -5.807 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.429 0.187 -6.225 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.520 0.725 -4.531 1.00 0.00 H new ATOM 363 N LYS A 28 -0.192 0.537 -3.960 1.00 0.00 N ATOM 364 CA LYS A 28 1.015 -0.267 -3.813 1.00 0.00 C ATOM 365 C LYS A 28 1.074 -0.910 -2.431 1.00 0.00 C ATOM 366 O LYS A 28 1.253 -2.122 -2.307 1.00 0.00 O ATOM 367 CB LYS A 28 2.258 0.596 -4.039 1.00 0.00 C ATOM 368 CG LYS A 28 2.675 0.693 -5.496 1.00 0.00 C ATOM 369 CD LYS A 28 3.935 1.524 -5.662 1.00 0.00 C ATOM 370 CE LYS A 28 3.956 2.244 -7.002 1.00 0.00 C ATOM 371 NZ LYS A 28 5.345 2.443 -7.503 1.00 0.00 N ATOM 0 H LYS A 28 -0.022 1.510 -4.216 1.00 0.00 H new ATOM 0 HA LYS A 28 0.989 -1.058 -4.562 1.00 0.00 H new ATOM 0 HB2 LYS A 28 2.068 1.599 -3.657 1.00 0.00 H new ATOM 0 HB3 LYS A 28 3.085 0.186 -3.460 1.00 0.00 H new ATOM 0 HG2 LYS A 28 2.843 -0.308 -5.894 1.00 0.00 H new ATOM 0 HG3 LYS A 28 1.867 1.136 -6.078 1.00 0.00 H new ATOM 0 HD2 LYS A 28 4.000 2.254 -4.855 1.00 0.00 H new ATOM 0 HD3 LYS A 28 4.810 0.880 -5.580 1.00 0.00 H new ATOM 0 HE2 LYS A 28 3.385 1.670 -7.732 1.00 0.00 H new ATOM 0 HE3 LYS A 28 3.464 3.211 -6.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 5.337 2.480 -8.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 5.725 3.336 -7.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 5.944 1.653 -7.189 1.00 0.00 H new ATOM 385 N ALA A 29 0.922 -0.092 -1.395 1.00 0.00 N ATOM 386 CA ALA A 29 0.955 -0.582 -0.023 1.00 0.00 C ATOM 387 C ALA A 29 -0.220 -1.514 0.255 1.00 0.00 C ATOM 388 O ALA A 29 -0.051 -2.585 0.840 1.00 0.00 O ATOM 389 CB ALA A 29 0.949 0.584 0.955 1.00 0.00 C ATOM 0 H ALA A 29 0.775 0.914 -1.480 1.00 0.00 H new ATOM 0 HA ALA A 29 1.876 -1.150 0.112 1.00 0.00 H new ATOM 0 HB1 ALA A 29 0.974 0.203 1.976 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.824 1.210 0.780 1.00 0.00 H new ATOM 0 HB3 ALA A 29 0.045 1.175 0.811 1.00 0.00 H new ATOM 395 N LEU A 30 -1.410 -1.100 -0.166 1.00 0.00 N ATOM 396 CA LEU A 30 -2.614 -1.898 0.039 1.00 0.00 C ATOM 397 C LEU A 30 -2.440 -3.302 -0.531 1.00 0.00 C ATOM 398 O LEU A 30 -2.562 -4.294 0.187 1.00 0.00 O ATOM 399 CB LEU A 30 -3.818 -1.216 -0.613 1.00 0.00 C ATOM 400 CG LEU A 30 -4.390 -0.009 0.131 1.00 0.00 C ATOM 401 CD1 LEU A 30 -5.432 0.698 -0.721 1.00 0.00 C ATOM 402 CD2 LEU A 30 -4.988 -0.438 1.463 1.00 0.00 C ATOM 0 H LEU A 30 -1.567 -0.217 -0.651 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.788 -1.981 1.112 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.531 -0.897 -1.615 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -4.611 -1.955 -0.728 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.578 0.690 0.329 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -5.828 1.554 -0.175 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.973 1.040 -1.649 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -6.243 0.007 -0.951 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.390 0.434 1.979 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.788 -1.157 1.288 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.214 -0.898 2.078 1.00 0.00 H new ATOM 414 N ALA A 31 -2.152 -3.378 -1.826 1.00 0.00 N ATOM 415 CA ALA A 31 -1.957 -4.660 -2.491 1.00 0.00 C ATOM 416 C ALA A 31 -0.863 -5.473 -1.807 1.00 0.00 C ATOM 417 O ALA A 31 -0.924 -6.702 -1.765 1.00 0.00 O ATOM 418 CB ALA A 31 -1.618 -4.447 -3.959 1.00 0.00 C ATOM 0 H ALA A 31 -2.049 -2.567 -2.435 1.00 0.00 H new ATOM 0 HA ALA A 31 -2.888 -5.222 -2.422 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -1.475 -5.413 -4.443 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -2.434 -3.914 -4.447 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -0.702 -3.862 -4.040 1.00 0.00 H new ATOM 424 N ALA A 32 0.136 -4.780 -1.271 1.00 0.00 N ATOM 425 CA ALA A 32 1.242 -5.438 -0.587 1.00 0.00 C ATOM 426 C ALA A 32 0.822 -5.923 0.796 1.00 0.00 C ATOM 427 O ALA A 32 0.662 -7.123 1.023 1.00 0.00 O ATOM 428 CB ALA A 32 2.431 -4.495 -0.479 1.00 0.00 C ATOM 0 H ALA A 32 0.202 -3.762 -1.297 1.00 0.00 H new ATOM 0 HA ALA A 32 1.534 -6.308 -1.175 1.00 0.00 H new ATOM 0 HB1 ALA A 32 3.250 -4.999 0.034 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.754 -4.201 -1.478 1.00 0.00 H new ATOM 0 HB3 ALA A 32 2.142 -3.608 0.084 1.00 0.00 H new ATOM 434 N THR A 33 0.644 -4.983 1.719 1.00 0.00 N ATOM 435 CA THR A 33 0.244 -5.314 3.081 1.00 0.00 C ATOM 436 C THR A 33 -0.875 -6.349 3.089 1.00 0.00 C ATOM 437 O THR A 33 -0.753 -7.405 3.709 1.00 0.00 O ATOM 438 CB THR A 33 -0.224 -4.064 3.849 1.00 0.00 C ATOM 439 OG1 THR A 33 -1.382 -3.506 3.218 1.00 0.00 O ATOM 440 CG2 THR A 33 0.881 -3.019 3.907 1.00 0.00 C ATOM 0 H THR A 33 0.771 -3.986 1.548 1.00 0.00 H new ATOM 0 HA THR A 33 1.122 -5.728 3.576 1.00 0.00 H new ATOM 0 HB THR A 33 -0.474 -4.363 4.867 1.00 0.00 H new ATOM 0 HG1 THR A 33 -1.130 -3.121 2.353 1.00 0.00 H new ATOM 0 HG21 THR A 33 0.527 -2.145 4.454 1.00 0.00 H new ATOM 0 HG22 THR A 33 1.751 -3.437 4.414 1.00 0.00 H new ATOM 0 HG23 THR A 33 1.158 -2.725 2.894 1.00 0.00 H new ATOM 448 N GLY A 34 -1.966 -6.040 2.394 1.00 0.00 N ATOM 449 CA GLY A 34 -3.091 -6.955 2.334 1.00 0.00 C ATOM 450 C GLY A 34 -4.421 -6.251 2.515 1.00 0.00 C ATOM 451 O GLY A 34 -5.372 -6.832 3.037 1.00 0.00 O ATOM 0 H GLY A 34 -2.091 -5.173 1.872 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.084 -7.472 1.374 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.978 -7.716 3.106 1.00 0.00 H new ATOM 455 N ARG A 35 -4.488 -4.996 2.084 1.00 0.00 N ATOM 456 CA ARG A 35 -5.710 -4.211 2.204 1.00 0.00 C ATOM 457 C ARG A 35 -6.270 -4.289 3.622 1.00 0.00 C ATOM 458 O ARG A 35 -7.473 -4.141 3.835 1.00 0.00 O ATOM 459 CB ARG A 35 -6.758 -4.703 1.203 1.00 0.00 C ATOM 460 CG ARG A 35 -6.367 -4.474 -0.248 1.00 0.00 C ATOM 461 CD ARG A 35 -6.998 -5.512 -1.164 1.00 0.00 C ATOM 462 NE ARG A 35 -6.586 -5.336 -2.554 1.00 0.00 N ATOM 463 CZ ARG A 35 -7.012 -4.343 -3.327 1.00 0.00 C ATOM 464 NH1 ARG A 35 -7.857 -3.441 -2.847 1.00 0.00 N ATOM 465 NH2 ARG A 35 -6.592 -4.251 -4.582 1.00 0.00 N ATOM 0 H ARG A 35 -3.710 -4.501 1.648 1.00 0.00 H new ATOM 0 HA ARG A 35 -5.467 -3.171 1.984 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -6.928 -5.768 1.361 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -7.703 -4.197 1.400 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -6.679 -3.476 -0.557 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -5.282 -4.513 -0.344 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -6.720 -6.510 -0.827 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -8.084 -5.444 -1.096 1.00 0.00 H new ATOM 0 HE ARG A 35 -5.935 -6.013 -2.953 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -8.181 -3.509 -1.882 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -8.183 -2.680 -3.442 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -5.942 -4.943 -4.954 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -6.920 -3.488 -5.175 1.00 0.00 H new ATOM 479 N LYS A 36 -5.388 -4.523 4.588 1.00 0.00 N ATOM 480 CA LYS A 36 -5.792 -4.621 5.986 1.00 0.00 C ATOM 481 C LYS A 36 -6.426 -3.318 6.461 1.00 0.00 C ATOM 482 O LYS A 36 -7.571 -3.301 6.915 1.00 0.00 O ATOM 483 CB LYS A 36 -4.587 -4.964 6.864 1.00 0.00 C ATOM 484 CG LYS A 36 -4.334 -6.456 6.994 1.00 0.00 C ATOM 485 CD LYS A 36 -3.794 -7.046 5.702 1.00 0.00 C ATOM 486 CE LYS A 36 -4.179 -8.510 5.553 1.00 0.00 C ATOM 487 NZ LYS A 36 -3.165 -9.274 4.776 1.00 0.00 N ATOM 0 H LYS A 36 -4.388 -4.648 4.428 1.00 0.00 H new ATOM 0 HA LYS A 36 -6.532 -5.417 6.069 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -3.699 -4.488 6.449 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.740 -4.542 7.857 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -3.625 -6.636 7.802 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -5.261 -6.961 7.266 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.178 -6.480 4.854 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -2.708 -6.951 5.683 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -4.293 -8.958 6.540 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -5.147 -8.582 5.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -3.548 -9.504 3.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -2.305 -8.699 4.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -2.932 -10.154 5.280 1.00 0.00 H new ATOM 501 N THR A 37 -5.675 -2.226 6.352 1.00 0.00 N ATOM 502 CA THR A 37 -6.164 -0.918 6.771 1.00 0.00 C ATOM 503 C THR A 37 -5.175 0.182 6.402 1.00 0.00 C ATOM 504 O THR A 37 -4.015 -0.090 6.096 1.00 0.00 O ATOM 505 CB THR A 37 -6.421 -0.873 8.289 1.00 0.00 C ATOM 506 OG1 THR A 37 -7.000 0.385 8.651 1.00 0.00 O ATOM 507 CG2 THR A 37 -5.129 -1.085 9.063 1.00 0.00 C ATOM 0 H THR A 37 -4.726 -2.222 5.977 1.00 0.00 H new ATOM 0 HA THR A 37 -7.104 -0.750 6.246 1.00 0.00 H new ATOM 0 HB THR A 37 -7.113 -1.676 8.542 1.00 0.00 H new ATOM 0 HG1 THR A 37 -7.162 0.405 9.617 1.00 0.00 H new ATOM 0 HG21 THR A 37 -5.336 -1.049 10.133 1.00 0.00 H new ATOM 0 HG22 THR A 37 -4.707 -2.057 8.807 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.417 -0.301 8.804 1.00 0.00 H new ATOM 515 N ALA A 38 -5.642 1.426 6.434 1.00 0.00 N ATOM 516 CA ALA A 38 -4.797 2.568 6.106 1.00 0.00 C ATOM 517 C ALA A 38 -3.472 2.504 6.858 1.00 0.00 C ATOM 518 O ALA A 38 -2.403 2.473 6.248 1.00 0.00 O ATOM 519 CB ALA A 38 -5.522 3.868 6.419 1.00 0.00 C ATOM 0 H ALA A 38 -6.601 1.669 6.684 1.00 0.00 H new ATOM 0 HA ALA A 38 -4.581 2.534 5.038 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -4.879 4.712 6.169 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -6.439 3.924 5.832 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.768 3.901 7.480 1.00 0.00 H new ATOM 525 N GLU A 39 -3.550 2.486 8.185 1.00 0.00 N ATOM 526 CA GLU A 39 -2.355 2.428 9.019 1.00 0.00 C ATOM 527 C GLU A 39 -1.316 1.488 8.415 1.00 0.00 C ATOM 528 O GLU A 39 -0.194 1.896 8.116 1.00 0.00 O ATOM 529 CB GLU A 39 -2.715 1.968 10.433 1.00 0.00 C ATOM 530 CG GLU A 39 -3.740 2.856 11.119 1.00 0.00 C ATOM 531 CD GLU A 39 -4.277 2.245 12.399 1.00 0.00 C ATOM 532 OE1 GLU A 39 -4.356 1.001 12.474 1.00 0.00 O ATOM 533 OE2 GLU A 39 -4.620 3.010 13.324 1.00 0.00 O ATOM 0 H GLU A 39 -4.427 2.511 8.705 1.00 0.00 H new ATOM 0 HA GLU A 39 -1.928 3.430 9.069 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -3.101 0.950 10.388 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -1.809 1.939 11.038 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -3.287 3.821 11.344 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -4.568 3.044 10.435 1.00 0.00 H new ATOM 540 N GLU A 40 -1.698 0.227 8.241 1.00 0.00 N ATOM 541 CA GLU A 40 -0.798 -0.772 7.675 1.00 0.00 C ATOM 542 C GLU A 40 -0.056 -0.212 6.465 1.00 0.00 C ATOM 543 O GLU A 40 1.161 -0.354 6.350 1.00 0.00 O ATOM 544 CB GLU A 40 -1.580 -2.025 7.272 1.00 0.00 C ATOM 545 CG GLU A 40 -1.685 -3.058 8.381 1.00 0.00 C ATOM 546 CD GLU A 40 -2.513 -2.573 9.555 1.00 0.00 C ATOM 547 OE1 GLU A 40 -2.244 -1.458 10.049 1.00 0.00 O ATOM 548 OE2 GLU A 40 -3.429 -3.308 9.979 1.00 0.00 O ATOM 0 H GLU A 40 -2.623 -0.127 8.483 1.00 0.00 H new ATOM 0 HA GLU A 40 -0.066 -1.038 8.438 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -2.583 -1.733 6.962 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -1.099 -2.481 6.406 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -2.128 -3.970 7.982 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -0.684 -3.315 8.729 1.00 0.00 H new ATOM 555 N ALA A 41 -0.798 0.425 5.565 1.00 0.00 N ATOM 556 CA ALA A 41 -0.211 1.008 4.365 1.00 0.00 C ATOM 557 C ALA A 41 0.879 2.014 4.720 1.00 0.00 C ATOM 558 O ALA A 41 1.953 2.021 4.117 1.00 0.00 O ATOM 559 CB ALA A 41 -1.288 1.670 3.519 1.00 0.00 C ATOM 0 H ALA A 41 -1.807 0.550 5.644 1.00 0.00 H new ATOM 0 HA ALA A 41 0.247 0.205 3.787 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -0.835 2.101 2.626 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -2.030 0.926 3.227 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -1.772 2.457 4.097 1.00 0.00 H new ATOM 565 N LEU A 42 0.596 2.863 5.702 1.00 0.00 N ATOM 566 CA LEU A 42 1.552 3.876 6.137 1.00 0.00 C ATOM 567 C LEU A 42 2.875 3.235 6.545 1.00 0.00 C ATOM 568 O LEU A 42 3.945 3.803 6.326 1.00 0.00 O ATOM 569 CB LEU A 42 0.979 4.678 7.306 1.00 0.00 C ATOM 570 CG LEU A 42 0.117 5.885 6.933 1.00 0.00 C ATOM 571 CD1 LEU A 42 0.985 7.022 6.418 1.00 0.00 C ATOM 572 CD2 LEU A 42 -0.925 5.495 5.895 1.00 0.00 C ATOM 0 H LEU A 42 -0.287 2.870 6.212 1.00 0.00 H new ATOM 0 HA LEU A 42 1.738 4.549 5.300 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.382 4.007 7.923 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.808 5.025 7.923 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.401 6.228 7.828 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.354 7.872 6.158 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.693 7.319 7.192 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.531 6.691 5.535 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.529 6.366 5.641 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.426 5.126 4.999 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.567 4.713 6.300 1.00 0.00 H new ATOM 584 N ALA A 43 2.794 2.048 7.138 1.00 0.00 N ATOM 585 CA ALA A 43 3.984 1.329 7.572 1.00 0.00 C ATOM 586 C ALA A 43 4.804 0.851 6.378 1.00 0.00 C ATOM 587 O ALA A 43 6.031 0.773 6.447 1.00 0.00 O ATOM 588 CB ALA A 43 3.597 0.150 8.454 1.00 0.00 C ATOM 0 H ALA A 43 1.916 1.565 7.328 1.00 0.00 H new ATOM 0 HA ALA A 43 4.601 2.016 8.152 1.00 0.00 H new ATOM 0 HB1 ALA A 43 4.496 -0.378 8.771 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.061 0.512 9.331 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.956 -0.530 7.892 1.00 0.00 H new ATOM 594 N TRP A 44 4.119 0.534 5.286 1.00 0.00 N ATOM 595 CA TRP A 44 4.785 0.063 4.077 1.00 0.00 C ATOM 596 C TRP A 44 5.290 1.235 3.242 1.00 0.00 C ATOM 597 O TRP A 44 6.279 1.114 2.518 1.00 0.00 O ATOM 598 CB TRP A 44 3.831 -0.797 3.246 1.00 0.00 C ATOM 599 CG TRP A 44 4.440 -1.298 1.971 1.00 0.00 C ATOM 600 CD1 TRP A 44 5.013 -2.519 1.761 1.00 0.00 C ATOM 601 CD2 TRP A 44 4.536 -0.588 0.732 1.00 0.00 C ATOM 602 NE1 TRP A 44 5.461 -2.612 0.466 1.00 0.00 N ATOM 603 CE2 TRP A 44 5.179 -1.441 -0.187 1.00 0.00 C ATOM 604 CE3 TRP A 44 4.140 0.683 0.307 1.00 0.00 C ATOM 605 CZ2 TRP A 44 5.435 -1.060 -1.502 1.00 0.00 C ATOM 606 CZ3 TRP A 44 4.395 1.059 -0.998 1.00 0.00 C ATOM 607 CH2 TRP A 44 5.037 0.190 -1.890 1.00 0.00 C ATOM 0 H TRP A 44 3.103 0.594 5.212 1.00 0.00 H new ATOM 0 HA TRP A 44 5.641 -0.542 4.376 1.00 0.00 H new ATOM 0 HB2 TRP A 44 3.506 -1.648 3.844 1.00 0.00 H new ATOM 0 HB3 TRP A 44 2.940 -0.215 3.010 1.00 0.00 H new ATOM 0 HD1 TRP A 44 5.101 -3.298 2.504 1.00 0.00 H new ATOM 0 HE1 TRP A 44 5.928 -3.421 0.057 1.00 0.00 H new ATOM 0 HE3 TRP A 44 3.643 1.360 0.987 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 5.930 -1.728 -2.191 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 4.094 2.040 -1.336 1.00 0.00 H new ATOM 0 HH2 TRP A 44 5.221 0.513 -2.904 1.00 0.00 H new ATOM 618 N LEU A 45 4.604 2.368 3.346 1.00 0.00 N ATOM 619 CA LEU A 45 4.984 3.563 2.601 1.00 0.00 C ATOM 620 C LEU A 45 6.198 4.237 3.233 1.00 0.00 C ATOM 621 O LEU A 45 7.064 4.763 2.533 1.00 0.00 O ATOM 622 CB LEU A 45 3.813 4.546 2.543 1.00 0.00 C ATOM 623 CG LEU A 45 2.549 4.043 1.845 1.00 0.00 C ATOM 624 CD1 LEU A 45 1.368 4.948 2.162 1.00 0.00 C ATOM 625 CD2 LEU A 45 2.768 3.956 0.342 1.00 0.00 C ATOM 0 H LEU A 45 3.782 2.484 3.939 1.00 0.00 H new ATOM 0 HA LEU A 45 5.247 3.260 1.587 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.552 4.830 3.562 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.149 5.451 2.036 1.00 0.00 H new ATOM 0 HG LEU A 45 2.325 3.043 2.218 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.477 4.574 1.657 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.197 4.959 3.238 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.583 5.960 1.818 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.858 3.596 -0.138 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.018 4.943 -0.047 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.586 3.266 0.133 1.00 0.00 H new ATOM 637 N HIS A 46 6.255 4.216 4.561 1.00 0.00 N ATOM 638 CA HIS A 46 7.364 4.823 5.288 1.00 0.00 C ATOM 639 C HIS A 46 8.650 4.030 5.077 1.00 0.00 C ATOM 640 O HIS A 46 9.750 4.556 5.247 1.00 0.00 O ATOM 641 CB HIS A 46 7.040 4.904 6.780 1.00 0.00 C ATOM 642 CG HIS A 46 6.332 6.164 7.172 1.00 0.00 C ATOM 643 ND1 HIS A 46 6.972 7.379 7.298 1.00 0.00 N ATOM 644 CD2 HIS A 46 5.030 6.394 7.464 1.00 0.00 C ATOM 645 CE1 HIS A 46 6.095 8.301 7.653 1.00 0.00 C ATOM 646 NE2 HIS A 46 4.909 7.730 7.760 1.00 0.00 N ATOM 0 H HIS A 46 5.546 3.785 5.155 1.00 0.00 H new ATOM 0 HA HIS A 46 7.512 5.831 4.901 1.00 0.00 H new ATOM 0 HB2 HIS A 46 6.423 4.049 7.056 1.00 0.00 H new ATOM 0 HB3 HIS A 46 7.966 4.825 7.349 1.00 0.00 H new ATOM 0 HD2 HIS A 46 4.235 5.663 7.464 1.00 0.00 H new ATOM 0 HE1 HIS A 46 6.311 9.345 7.826 1.00 0.00 H new ATOM 0 HE2 HIS A 46 4.044 8.204 8.020 1.00 0.00 H new ATOM 655 N ASP A 47 8.504 2.763 4.706 1.00 0.00 N ATOM 656 CA ASP A 47 9.654 1.898 4.471 1.00 0.00 C ATOM 657 C ASP A 47 10.021 1.870 2.991 1.00 0.00 C ATOM 658 O ASP A 47 11.176 1.641 2.631 1.00 0.00 O ATOM 659 CB ASP A 47 9.361 0.479 4.963 1.00 0.00 C ATOM 660 CG ASP A 47 9.760 0.275 6.411 1.00 0.00 C ATOM 661 OD1 ASP A 47 9.751 1.263 7.174 1.00 0.00 O ATOM 662 OD2 ASP A 47 10.082 -0.874 6.782 1.00 0.00 O ATOM 0 H ASP A 47 7.601 2.312 4.561 1.00 0.00 H new ATOM 0 HA ASP A 47 10.499 2.301 5.029 1.00 0.00 H new ATOM 0 HB2 ASP A 47 8.297 0.271 4.849 1.00 0.00 H new ATOM 0 HB3 ASP A 47 9.895 -0.237 4.338 1.00 0.00 H new ATOM 667 N HIS A 48 9.030 2.105 2.137 1.00 0.00 N ATOM 668 CA HIS A 48 9.248 2.106 0.694 1.00 0.00 C ATOM 669 C HIS A 48 9.565 3.513 0.195 1.00 0.00 C ATOM 670 O HIS A 48 10.615 3.747 -0.405 1.00 0.00 O ATOM 671 CB HIS A 48 8.017 1.560 -0.030 1.00 0.00 C ATOM 672 CG HIS A 48 8.006 0.068 -0.151 1.00 0.00 C ATOM 673 ND1 HIS A 48 8.045 -0.589 -1.362 1.00 0.00 N ATOM 674 CD2 HIS A 48 7.962 -0.897 0.797 1.00 0.00 C ATOM 675 CE1 HIS A 48 8.024 -1.894 -1.154 1.00 0.00 C ATOM 676 NE2 HIS A 48 7.974 -2.107 0.148 1.00 0.00 N ATOM 0 H HIS A 48 8.069 2.297 2.418 1.00 0.00 H new ATOM 0 HA HIS A 48 10.101 1.462 0.479 1.00 0.00 H new ATOM 0 HB2 HIS A 48 7.121 1.880 0.502 1.00 0.00 H new ATOM 0 HB3 HIS A 48 7.968 1.997 -1.027 1.00 0.00 H new ATOM 0 HD2 HIS A 48 7.924 -0.744 1.865 1.00 0.00 H new ATOM 0 HE1 HIS A 48 8.044 -2.656 -1.919 1.00 0.00 H new ATOM 0 HE2 HIS A 48 7.948 -3.022 0.599 1.00 0.00 H new ATOM 685 N CYS A 49 8.650 4.443 0.444 1.00 0.00 N ATOM 686 CA CYS A 49 8.832 5.827 0.018 1.00 0.00 C ATOM 687 C CYS A 49 10.299 6.235 0.105 1.00 0.00 C ATOM 688 O CYS A 49 10.792 6.996 -0.726 1.00 0.00 O ATOM 689 CB CYS A 49 7.978 6.762 0.874 1.00 0.00 C ATOM 690 SG CYS A 49 8.649 7.071 2.525 1.00 0.00 S ATOM 0 H CYS A 49 7.776 4.265 0.938 1.00 0.00 H new ATOM 0 HA CYS A 49 8.514 5.906 -1.021 1.00 0.00 H new ATOM 0 HB2 CYS A 49 7.868 7.714 0.354 1.00 0.00 H new ATOM 0 HB3 CYS A 49 6.980 6.336 0.973 1.00 0.00 H new ATOM 0 HG CYS A 49 8.531 5.998 3.249 1.00 0.00 H new ATOM 696 N ASN A 50 10.990 5.724 1.118 1.00 0.00 N ATOM 697 CA ASN A 50 12.401 6.037 1.316 1.00 0.00 C ATOM 698 C ASN A 50 13.174 5.913 0.007 1.00 0.00 C ATOM 699 O ASN A 50 13.897 6.828 -0.387 1.00 0.00 O ATOM 700 CB ASN A 50 13.008 5.108 2.369 1.00 0.00 C ATOM 701 CG ASN A 50 14.323 5.632 2.914 1.00 0.00 C ATOM 702 OD1 ASN A 50 15.284 5.823 2.168 1.00 0.00 O ATOM 703 ND2 ASN A 50 14.371 5.867 4.220 1.00 0.00 N ATOM 0 H ASN A 50 10.596 5.091 1.815 1.00 0.00 H new ATOM 0 HA ASN A 50 12.474 7.067 1.665 1.00 0.00 H new ATOM 0 HB2 ASN A 50 12.302 4.983 3.190 1.00 0.00 H new ATOM 0 HB3 ASN A 50 13.166 4.122 1.932 1.00 0.00 H new ATOM 0 HD21 ASN A 50 15.229 6.220 4.643 1.00 0.00 H new ATOM 0 HD22 ASN A 50 13.550 5.694 4.800 1.00 0.00 H new ATOM 710 N ASP A 51 13.016 4.777 -0.663 1.00 0.00 N ATOM 711 CA ASP A 51 13.697 4.534 -1.929 1.00 0.00 C ATOM 712 C ASP A 51 13.457 5.682 -2.904 1.00 0.00 C ATOM 713 O ASP A 51 12.380 6.276 -2.949 1.00 0.00 O ATOM 714 CB ASP A 51 13.221 3.217 -2.544 1.00 0.00 C ATOM 715 CG ASP A 51 13.866 2.008 -1.896 1.00 0.00 C ATOM 716 OD1 ASP A 51 13.472 1.664 -0.762 1.00 0.00 O ATOM 717 OD2 ASP A 51 14.764 1.407 -2.521 1.00 0.00 O ATOM 0 H ASP A 51 12.422 4.009 -0.350 1.00 0.00 H new ATOM 0 HA ASP A 51 14.767 4.467 -1.731 1.00 0.00 H new ATOM 0 HB2 ASP A 51 12.138 3.144 -2.445 1.00 0.00 H new ATOM 0 HB3 ASP A 51 13.444 3.216 -3.611 1.00 0.00 H new ATOM 722 N PRO A 52 14.485 6.004 -3.704 1.00 0.00 N ATOM 723 CA PRO A 52 14.410 7.084 -4.693 1.00 0.00 C ATOM 724 C PRO A 52 13.485 6.742 -5.856 1.00 0.00 C ATOM 725 O PRO A 52 13.050 7.624 -6.596 1.00 0.00 O ATOM 726 CB PRO A 52 15.855 7.219 -5.180 1.00 0.00 C ATOM 727 CG PRO A 52 16.462 5.880 -4.941 1.00 0.00 C ATOM 728 CD PRO A 52 15.798 5.339 -3.705 1.00 0.00 C ATOM 0 HA PRO A 52 14.002 8.000 -4.266 1.00 0.00 H new ATOM 0 HB2 PRO A 52 15.893 7.488 -6.235 1.00 0.00 H new ATOM 0 HB3 PRO A 52 16.386 7.998 -4.633 1.00 0.00 H new ATOM 0 HG2 PRO A 52 16.298 5.220 -5.793 1.00 0.00 H new ATOM 0 HG3 PRO A 52 17.540 5.959 -4.802 1.00 0.00 H new ATOM 0 HD2 PRO A 52 15.699 4.254 -3.744 1.00 0.00 H new ATOM 0 HD3 PRO A 52 16.368 5.575 -2.807 1.00 0.00 H new ATOM 736 N SER A 53 13.187 5.455 -6.011 1.00 0.00 N ATOM 737 CA SER A 53 12.316 4.997 -7.086 1.00 0.00 C ATOM 738 C SER A 53 10.886 5.483 -6.871 1.00 0.00 C ATOM 739 O SER A 53 10.063 5.450 -7.787 1.00 0.00 O ATOM 740 CB SER A 53 12.340 3.469 -7.174 1.00 0.00 C ATOM 741 OG SER A 53 12.108 3.031 -8.501 1.00 0.00 O ATOM 0 H SER A 53 13.536 4.712 -5.406 1.00 0.00 H new ATOM 0 HA SER A 53 12.686 5.414 -8.023 1.00 0.00 H new ATOM 0 HB2 SER A 53 13.304 3.097 -6.828 1.00 0.00 H new ATOM 0 HB3 SER A 53 11.581 3.052 -6.512 1.00 0.00 H new ATOM 0 HG SER A 53 12.130 2.052 -8.531 1.00 0.00 H new ATOM 747 N LEU A 54 10.597 5.933 -5.656 1.00 0.00 N ATOM 748 CA LEU A 54 9.267 6.427 -5.319 1.00 0.00 C ATOM 749 C LEU A 54 9.287 7.935 -5.090 1.00 0.00 C ATOM 750 O LEU A 54 9.358 8.399 -3.952 1.00 0.00 O ATOM 751 CB LEU A 54 8.739 5.717 -4.070 1.00 0.00 C ATOM 752 CG LEU A 54 8.586 4.200 -4.175 1.00 0.00 C ATOM 753 CD1 LEU A 54 8.387 3.587 -2.797 1.00 0.00 C ATOM 754 CD2 LEU A 54 7.425 3.843 -5.092 1.00 0.00 C ATOM 0 H LEU A 54 11.266 5.966 -4.887 1.00 0.00 H new ATOM 0 HA LEU A 54 8.605 6.215 -6.158 1.00 0.00 H new ATOM 0 HB2 LEU A 54 9.410 5.938 -3.240 1.00 0.00 H new ATOM 0 HB3 LEU A 54 7.768 6.143 -3.817 1.00 0.00 H new ATOM 0 HG LEU A 54 9.501 3.791 -4.604 1.00 0.00 H new ATOM 0 HD11 LEU A 54 8.280 2.506 -2.891 1.00 0.00 H new ATOM 0 HD12 LEU A 54 9.250 3.813 -2.170 1.00 0.00 H new ATOM 0 HD13 LEU A 54 7.488 4.002 -2.340 1.00 0.00 H new ATOM 0 HD21 LEU A 54 7.331 2.759 -5.155 1.00 0.00 H new ATOM 0 HD22 LEU A 54 6.503 4.265 -4.692 1.00 0.00 H new ATOM 0 HD23 LEU A 54 7.609 4.250 -6.087 1.00 0.00 H new ATOM 766 N ASP A 55 9.222 8.694 -6.178 1.00 0.00 N ATOM 767 CA ASP A 55 9.230 10.150 -6.097 1.00 0.00 C ATOM 768 C ASP A 55 7.831 10.685 -5.807 1.00 0.00 C ATOM 769 O ASP A 55 6.870 10.346 -6.498 1.00 0.00 O ATOM 770 CB ASP A 55 9.760 10.752 -7.399 1.00 0.00 C ATOM 771 CG ASP A 55 9.130 10.124 -8.626 1.00 0.00 C ATOM 772 OD1 ASP A 55 9.613 9.058 -9.061 1.00 0.00 O ATOM 773 OD2 ASP A 55 8.154 10.699 -9.152 1.00 0.00 O ATOM 0 H ASP A 55 9.163 8.325 -7.127 1.00 0.00 H new ATOM 0 HA ASP A 55 9.888 10.440 -5.278 1.00 0.00 H new ATOM 0 HB2 ASP A 55 9.568 11.825 -7.404 1.00 0.00 H new ATOM 0 HB3 ASP A 55 10.841 10.622 -7.442 1.00 0.00 H new ATOM 778 N ASP A 56 7.724 11.521 -4.780 1.00 0.00 N ATOM 779 CA ASP A 56 6.443 12.104 -4.398 1.00 0.00 C ATOM 780 C ASP A 56 6.592 13.591 -4.091 1.00 0.00 C ATOM 781 O ASP A 56 7.616 14.045 -3.581 1.00 0.00 O ATOM 782 CB ASP A 56 5.869 11.374 -3.183 1.00 0.00 C ATOM 783 CG ASP A 56 5.642 9.899 -3.447 1.00 0.00 C ATOM 784 OD1 ASP A 56 5.235 9.554 -4.576 1.00 0.00 O ATOM 785 OD2 ASP A 56 5.871 9.088 -2.525 1.00 0.00 O ATOM 0 H ASP A 56 8.509 11.810 -4.197 1.00 0.00 H new ATOM 0 HA ASP A 56 5.756 11.992 -5.237 1.00 0.00 H new ATOM 0 HB2 ASP A 56 6.550 11.488 -2.339 1.00 0.00 H new ATOM 0 HB3 ASP A 56 4.925 11.838 -2.897 1.00 0.00 H new ATOM 790 N PRO A 57 5.547 14.369 -4.410 1.00 0.00 N ATOM 791 CA PRO A 57 5.537 15.816 -4.177 1.00 0.00 C ATOM 792 C PRO A 57 5.470 16.164 -2.694 1.00 0.00 C ATOM 793 O PRO A 57 5.509 17.337 -2.320 1.00 0.00 O ATOM 794 CB PRO A 57 4.267 16.282 -4.894 1.00 0.00 C ATOM 795 CG PRO A 57 3.381 15.085 -4.910 1.00 0.00 C ATOM 796 CD PRO A 57 4.293 13.895 -5.020 1.00 0.00 C ATOM 0 HA PRO A 57 6.447 16.294 -4.540 1.00 0.00 H new ATOM 0 HB2 PRO A 57 3.799 17.114 -4.369 1.00 0.00 H new ATOM 0 HB3 PRO A 57 4.486 16.626 -5.905 1.00 0.00 H new ATOM 0 HG2 PRO A 57 2.779 15.033 -4.003 1.00 0.00 H new ATOM 0 HG3 PRO A 57 2.688 15.124 -5.750 1.00 0.00 H new ATOM 0 HD2 PRO A 57 3.891 13.030 -4.492 1.00 0.00 H new ATOM 0 HD3 PRO A 57 4.439 13.595 -6.058 1.00 0.00 H new ATOM 804 N ILE A 58 5.370 15.139 -1.854 1.00 0.00 N ATOM 805 CA ILE A 58 5.299 15.338 -0.412 1.00 0.00 C ATOM 806 C ILE A 58 6.490 16.147 0.090 1.00 0.00 C ATOM 807 O ILE A 58 7.622 15.664 0.099 1.00 0.00 O ATOM 808 CB ILE A 58 5.251 13.995 0.340 1.00 0.00 C ATOM 809 CG1 ILE A 58 3.974 13.232 -0.016 1.00 0.00 C ATOM 810 CG2 ILE A 58 5.336 14.225 1.841 1.00 0.00 C ATOM 811 CD1 ILE A 58 4.015 11.771 0.374 1.00 0.00 C ATOM 0 H ILE A 58 5.336 14.163 -2.147 1.00 0.00 H new ATOM 0 HA ILE A 58 4.379 15.889 -0.214 1.00 0.00 H new ATOM 0 HB ILE A 58 6.108 13.394 0.035 1.00 0.00 H new ATOM 0 HG12 ILE A 58 3.127 13.708 0.477 1.00 0.00 H new ATOM 0 HG13 ILE A 58 3.802 13.309 -1.090 1.00 0.00 H new ATOM 0 HG21 ILE A 58 5.301 13.266 2.359 1.00 0.00 H new ATOM 0 HG22 ILE A 58 6.271 14.732 2.079 1.00 0.00 H new ATOM 0 HG23 ILE A 58 4.497 14.842 2.163 1.00 0.00 H new ATOM 0 HD11 ILE A 58 3.077 11.293 0.092 1.00 0.00 H new ATOM 0 HD12 ILE A 58 4.842 11.280 -0.140 1.00 0.00 H new ATOM 0 HD13 ILE A 58 4.156 11.686 1.452 1.00 0.00 H new ATOM 823 N SER A 59 6.226 17.381 0.510 1.00 0.00 N ATOM 824 CA SER A 59 7.277 18.258 1.013 1.00 0.00 C ATOM 825 C SER A 59 7.753 17.802 2.388 1.00 0.00 C ATOM 826 O SER A 59 8.931 17.503 2.582 1.00 0.00 O ATOM 827 CB SER A 59 6.773 19.701 1.087 1.00 0.00 C ATOM 828 OG SER A 59 6.416 20.183 -0.196 1.00 0.00 O ATOM 0 H SER A 59 5.294 17.795 0.512 1.00 0.00 H new ATOM 0 HA SER A 59 8.119 18.209 0.322 1.00 0.00 H new ATOM 0 HB2 SER A 59 5.911 19.755 1.752 1.00 0.00 H new ATOM 0 HB3 SER A 59 7.546 20.338 1.516 1.00 0.00 H new ATOM 0 HG SER A 59 6.096 21.106 -0.121 1.00 0.00 H new ATOM 834 N GLY A 60 6.828 17.753 3.342 1.00 0.00 N ATOM 835 CA GLY A 60 7.172 17.333 4.688 1.00 0.00 C ATOM 836 C GLY A 60 6.176 16.342 5.259 1.00 0.00 C ATOM 837 O GLY A 60 4.981 16.393 4.966 1.00 0.00 O ATOM 0 H GLY A 60 5.847 17.997 3.207 1.00 0.00 H new ATOM 0 HA2 GLY A 60 8.165 16.883 4.682 1.00 0.00 H new ATOM 0 HA3 GLY A 60 7.222 18.208 5.337 1.00 0.00 H new ATOM 841 N PRO A 61 6.670 15.415 6.092 1.00 0.00 N ATOM 842 CA PRO A 61 5.831 14.390 6.722 1.00 0.00 C ATOM 843 C PRO A 61 4.891 14.974 7.771 1.00 0.00 C ATOM 844 O PRO A 61 5.335 15.523 8.779 1.00 0.00 O ATOM 845 CB PRO A 61 6.849 13.453 7.378 1.00 0.00 C ATOM 846 CG PRO A 61 8.049 14.304 7.615 1.00 0.00 C ATOM 847 CD PRO A 61 8.084 15.295 6.485 1.00 0.00 C ATOM 0 HA PRO A 61 5.180 13.897 6.001 1.00 0.00 H new ATOM 0 HB2 PRO A 61 6.465 13.042 8.311 1.00 0.00 H new ATOM 0 HB3 PRO A 61 7.084 12.608 6.731 1.00 0.00 H new ATOM 0 HG2 PRO A 61 7.983 14.812 8.577 1.00 0.00 H new ATOM 0 HG3 PRO A 61 8.957 13.701 7.634 1.00 0.00 H new ATOM 0 HD2 PRO A 61 8.495 16.253 6.803 1.00 0.00 H new ATOM 0 HD3 PRO A 61 8.702 14.941 5.660 1.00 0.00 H new ATOM 855 N SER A 62 3.590 14.852 7.526 1.00 0.00 N ATOM 856 CA SER A 62 2.588 15.371 8.449 1.00 0.00 C ATOM 857 C SER A 62 1.464 14.360 8.655 1.00 0.00 C ATOM 858 O SER A 62 0.941 13.793 7.697 1.00 0.00 O ATOM 859 CB SER A 62 2.013 16.688 7.923 1.00 0.00 C ATOM 860 OG SER A 62 3.006 17.699 7.885 1.00 0.00 O ATOM 0 H SER A 62 3.206 14.399 6.697 1.00 0.00 H new ATOM 0 HA SER A 62 3.073 15.551 9.409 1.00 0.00 H new ATOM 0 HB2 SER A 62 1.605 16.537 6.924 1.00 0.00 H new ATOM 0 HB3 SER A 62 1.188 17.008 8.559 1.00 0.00 H new ATOM 0 HG SER A 62 2.614 18.530 7.544 1.00 0.00 H new ATOM 866 N SER A 63 1.099 14.139 9.914 1.00 0.00 N ATOM 867 CA SER A 63 0.040 13.193 10.249 1.00 0.00 C ATOM 868 C SER A 63 -0.920 13.793 11.271 1.00 0.00 C ATOM 869 O SER A 63 -0.530 14.615 12.099 1.00 0.00 O ATOM 870 CB SER A 63 0.640 11.896 10.794 1.00 0.00 C ATOM 871 OG SER A 63 -0.372 11.029 11.274 1.00 0.00 O ATOM 0 H SER A 63 1.521 14.602 10.719 1.00 0.00 H new ATOM 0 HA SER A 63 -0.518 12.972 9.339 1.00 0.00 H new ATOM 0 HB2 SER A 63 1.209 11.397 10.010 1.00 0.00 H new ATOM 0 HB3 SER A 63 1.339 12.125 11.598 1.00 0.00 H new ATOM 0 HG SER A 63 0.037 10.206 11.615 1.00 0.00 H new ATOM 877 N GLY A 64 -2.181 13.374 11.206 1.00 0.00 N ATOM 878 CA GLY A 64 -3.178 13.879 12.131 1.00 0.00 C ATOM 879 C GLY A 64 -3.811 12.778 12.960 1.00 0.00 C ATOM 880 O GLY A 64 -4.522 13.050 13.926 1.00 0.00 O ATOM 0 H GLY A 64 -2.529 12.694 10.530 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -2.716 14.610 12.795 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -3.955 14.402 11.573 1.00 0.00 H new TER 884 GLY A 64