USER MOD reduce.3.24.130724 H: found=0, std=0, add=436, rem=0, adj=18 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 HD1:sc= -1.87 K(o=-2.7,f=-3.5!) USER MOD Set 1.2: A 25 THR OG1 : rot 180:sc= -0.823 USER MOD Single : A 1 GLY N :NH3+ -108:sc= 0.0764 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 34:sc= 0.317 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 180:sc= 0 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 158:sc= -0.0972 (180deg=-0.777) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot -75:sc= 0.17 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= -0.341 X(o=-0.34,f=0.087) USER MOD Single : A 48 HIS : no HD1:sc= -7.35! C(o=-7.4!,f=-9.3!) USER MOD Single : A 49 CYS SG : rot 180:sc= -2.26 USER MOD Single : A 50 ASN :FLIP amide:sc= -0.118 F(o=-0.73,f=-0.12) 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 -22.391 -14.582 -14.702 1.00 0.00 N ATOM 2 CA GLY A 1 -22.187 -13.170 -14.438 1.00 0.00 C ATOM 3 C GLY A 1 -21.050 -12.920 -13.467 1.00 0.00 C ATOM 4 O GLY A 1 -20.605 -13.834 -12.773 1.00 0.00 O ATOM 0 H1 GLY A 1 -22.069 -14.805 -15.666 1.00 0.00 H new ATOM 0 H2 GLY A 1 -21.848 -15.145 -14.017 1.00 0.00 H new ATOM 0 H3 GLY A 1 -23.402 -14.809 -14.613 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -21.980 -12.654 -15.376 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -23.105 -12.742 -14.035 1.00 0.00 H new ATOM 8 N SER A 2 -20.577 -11.679 -13.418 1.00 0.00 N ATOM 9 CA SER A 2 -19.481 -11.313 -12.529 1.00 0.00 C ATOM 10 C SER A 2 -20.012 -10.798 -11.195 1.00 0.00 C ATOM 11 O SER A 2 -20.516 -9.679 -11.105 1.00 0.00 O ATOM 12 CB SER A 2 -18.598 -10.249 -13.184 1.00 0.00 C ATOM 13 OG SER A 2 -17.874 -10.788 -14.275 1.00 0.00 O ATOM 0 H SER A 2 -20.936 -10.910 -13.984 1.00 0.00 H new ATOM 0 HA SER A 2 -18.884 -12.206 -12.343 1.00 0.00 H new ATOM 0 HB2 SER A 2 -19.217 -9.420 -13.528 1.00 0.00 H new ATOM 0 HB3 SER A 2 -17.904 -9.844 -12.447 1.00 0.00 H new ATOM 0 HG SER A 2 -17.319 -10.088 -14.677 1.00 0.00 H new ATOM 19 N SER A 3 -19.896 -11.625 -10.160 1.00 0.00 N ATOM 20 CA SER A 3 -20.368 -11.256 -8.830 1.00 0.00 C ATOM 21 C SER A 3 -19.366 -10.342 -8.132 1.00 0.00 C ATOM 22 O SER A 3 -18.221 -10.725 -7.893 1.00 0.00 O ATOM 23 CB SER A 3 -20.607 -12.509 -7.986 1.00 0.00 C ATOM 24 OG SER A 3 -19.453 -13.330 -7.952 1.00 0.00 O ATOM 0 H SER A 3 -19.479 -12.554 -10.217 1.00 0.00 H new ATOM 0 HA SER A 3 -21.308 -10.716 -8.941 1.00 0.00 H new ATOM 0 HB2 SER A 3 -20.882 -12.221 -6.971 1.00 0.00 H new ATOM 0 HB3 SER A 3 -21.446 -13.072 -8.395 1.00 0.00 H new ATOM 0 HG SER A 3 -18.651 -12.768 -7.971 1.00 0.00 H new ATOM 30 N GLY A 4 -19.806 -9.130 -7.807 1.00 0.00 N ATOM 31 CA GLY A 4 -18.936 -8.179 -7.140 1.00 0.00 C ATOM 32 C GLY A 4 -19.271 -6.743 -7.489 1.00 0.00 C ATOM 33 O GLY A 4 -20.241 -6.480 -8.199 1.00 0.00 O ATOM 0 H GLY A 4 -20.749 -8.790 -7.994 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -19.013 -8.315 -6.061 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -17.901 -8.384 -7.414 1.00 0.00 H new ATOM 37 N SER A 5 -18.466 -5.811 -6.988 1.00 0.00 N ATOM 38 CA SER A 5 -18.686 -4.392 -7.247 1.00 0.00 C ATOM 39 C SER A 5 -17.454 -3.760 -7.887 1.00 0.00 C ATOM 40 O SER A 5 -16.483 -3.435 -7.203 1.00 0.00 O ATOM 41 CB SER A 5 -19.031 -3.663 -5.947 1.00 0.00 C ATOM 42 OG SER A 5 -19.021 -2.258 -6.133 1.00 0.00 O ATOM 0 H SER A 5 -17.656 -6.012 -6.401 1.00 0.00 H new ATOM 0 HA SER A 5 -19.522 -4.299 -7.940 1.00 0.00 H new ATOM 0 HB2 SER A 5 -20.014 -3.980 -5.598 1.00 0.00 H new ATOM 0 HB3 SER A 5 -18.315 -3.936 -5.172 1.00 0.00 H new ATOM 0 HG SER A 5 -19.246 -1.815 -5.288 1.00 0.00 H new ATOM 48 N SER A 6 -17.501 -3.589 -9.204 1.00 0.00 N ATOM 49 CA SER A 6 -16.388 -2.999 -9.939 1.00 0.00 C ATOM 50 C SER A 6 -15.995 -1.652 -9.340 1.00 0.00 C ATOM 51 O SER A 6 -14.820 -1.391 -9.087 1.00 0.00 O ATOM 52 CB SER A 6 -16.757 -2.826 -11.413 1.00 0.00 C ATOM 53 OG SER A 6 -16.942 -4.082 -12.043 1.00 0.00 O ATOM 0 H SER A 6 -18.298 -3.851 -9.784 1.00 0.00 H new ATOM 0 HA SER A 6 -15.536 -3.674 -9.862 1.00 0.00 H new ATOM 0 HB2 SER A 6 -17.670 -2.236 -11.496 1.00 0.00 H new ATOM 0 HB3 SER A 6 -15.971 -2.271 -11.925 1.00 0.00 H new ATOM 0 HG SER A 6 -17.179 -3.944 -12.984 1.00 0.00 H new ATOM 59 N GLY A 7 -16.989 -0.798 -9.117 1.00 0.00 N ATOM 60 CA GLY A 7 -16.729 0.513 -8.550 1.00 0.00 C ATOM 61 C GLY A 7 -16.726 0.499 -7.034 1.00 0.00 C ATOM 62 O GLY A 7 -17.546 1.161 -6.399 1.00 0.00 O ATOM 0 H GLY A 7 -17.970 -0.990 -9.319 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -15.766 0.876 -8.909 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -17.485 1.214 -8.902 1.00 0.00 H new ATOM 66 N SER A 8 -15.801 -0.260 -6.453 1.00 0.00 N ATOM 67 CA SER A 8 -15.699 -0.362 -5.002 1.00 0.00 C ATOM 68 C SER A 8 -15.439 1.006 -4.378 1.00 0.00 C ATOM 69 O SER A 8 -14.426 1.647 -4.660 1.00 0.00 O ATOM 70 CB SER A 8 -14.580 -1.332 -4.616 1.00 0.00 C ATOM 71 OG SER A 8 -14.642 -1.658 -3.238 1.00 0.00 O ATOM 0 H SER A 8 -15.113 -0.812 -6.965 1.00 0.00 H new ATOM 0 HA SER A 8 -16.647 -0.741 -4.621 1.00 0.00 H new ATOM 0 HB2 SER A 8 -14.660 -2.241 -5.212 1.00 0.00 H new ATOM 0 HB3 SER A 8 -13.612 -0.886 -4.844 1.00 0.00 H new ATOM 0 HG SER A 8 -13.918 -2.280 -3.016 1.00 0.00 H new ATOM 77 N SER A 9 -16.361 1.447 -3.528 1.00 0.00 N ATOM 78 CA SER A 9 -16.234 2.740 -2.866 1.00 0.00 C ATOM 79 C SER A 9 -14.867 2.881 -2.205 1.00 0.00 C ATOM 80 O SER A 9 -14.273 1.910 -1.735 1.00 0.00 O ATOM 81 CB SER A 9 -17.339 2.912 -1.822 1.00 0.00 C ATOM 82 OG SER A 9 -17.199 1.971 -0.772 1.00 0.00 O ATOM 0 H SER A 9 -17.204 0.928 -3.282 1.00 0.00 H new ATOM 0 HA SER A 9 -16.333 3.519 -3.622 1.00 0.00 H new ATOM 0 HB2 SER A 9 -17.306 3.923 -1.416 1.00 0.00 H new ATOM 0 HB3 SER A 9 -18.313 2.791 -2.296 1.00 0.00 H new ATOM 0 HG SER A 9 -17.916 2.103 -0.117 1.00 0.00 H new ATOM 88 N PRO A 10 -14.354 4.119 -2.166 1.00 0.00 N ATOM 89 CA PRO A 10 -13.051 4.418 -1.565 1.00 0.00 C ATOM 90 C PRO A 10 -13.066 4.271 -0.047 1.00 0.00 C ATOM 91 O PRO A 10 -13.566 5.142 0.665 1.00 0.00 O ATOM 92 CB PRO A 10 -12.804 5.876 -1.958 1.00 0.00 C ATOM 93 CG PRO A 10 -14.164 6.447 -2.169 1.00 0.00 C ATOM 94 CD PRO A 10 -15.006 5.324 -2.707 1.00 0.00 C ATOM 0 HA PRO A 10 -12.277 3.733 -1.910 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -12.267 6.411 -1.175 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -12.201 5.945 -2.863 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -14.575 6.830 -1.235 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -14.132 7.281 -2.870 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -16.041 5.404 -2.376 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -15.020 5.319 -3.797 1.00 0.00 H new ATOM 102 N SER A 11 -12.514 3.165 0.442 1.00 0.00 N ATOM 103 CA SER A 11 -12.467 2.903 1.875 1.00 0.00 C ATOM 104 C SER A 11 -11.040 3.018 2.402 1.00 0.00 C ATOM 105 O SER A 11 -10.765 3.789 3.323 1.00 0.00 O ATOM 106 CB SER A 11 -13.025 1.512 2.180 1.00 0.00 C ATOM 107 OG SER A 11 -14.431 1.553 2.355 1.00 0.00 O ATOM 0 H SER A 11 -12.093 2.436 -0.134 1.00 0.00 H new ATOM 0 HA SER A 11 -13.082 3.651 2.376 1.00 0.00 H new ATOM 0 HB2 SER A 11 -12.776 0.831 1.366 1.00 0.00 H new ATOM 0 HB3 SER A 11 -12.555 1.118 3.081 1.00 0.00 H new ATOM 0 HG SER A 11 -14.763 0.651 2.547 1.00 0.00 H new ATOM 113 N LEU A 12 -10.135 2.245 1.812 1.00 0.00 N ATOM 114 CA LEU A 12 -8.734 2.258 2.221 1.00 0.00 C ATOM 115 C LEU A 12 -8.011 3.472 1.646 1.00 0.00 C ATOM 116 O LEU A 12 -7.070 3.990 2.249 1.00 0.00 O ATOM 117 CB LEU A 12 -8.038 0.974 1.768 1.00 0.00 C ATOM 118 CG LEU A 12 -8.737 -0.335 2.138 1.00 0.00 C ATOM 119 CD1 LEU A 12 -8.276 -1.462 1.228 1.00 0.00 C ATOM 120 CD2 LEU A 12 -8.477 -0.684 3.596 1.00 0.00 C ATOM 0 H LEU A 12 -10.346 1.601 1.049 1.00 0.00 H new ATOM 0 HA LEU A 12 -8.699 2.318 3.309 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -7.925 1.009 0.684 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -7.034 0.959 2.193 1.00 0.00 H new ATOM 0 HG LEU A 12 -9.810 -0.203 2.002 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -8.784 -2.385 1.506 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -8.514 -1.215 0.193 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -7.199 -1.595 1.331 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -8.982 -1.618 3.842 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -7.405 -0.797 3.757 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -8.858 0.113 4.234 1.00 0.00 H new ATOM 132 N LEU A 13 -8.457 3.922 0.479 1.00 0.00 N ATOM 133 CA LEU A 13 -7.854 5.077 -0.177 1.00 0.00 C ATOM 134 C LEU A 13 -8.221 6.368 0.548 1.00 0.00 C ATOM 135 O LEU A 13 -7.424 7.304 0.610 1.00 0.00 O ATOM 136 CB LEU A 13 -8.304 5.153 -1.637 1.00 0.00 C ATOM 137 CG LEU A 13 -7.586 4.218 -2.610 1.00 0.00 C ATOM 138 CD1 LEU A 13 -6.093 4.506 -2.623 1.00 0.00 C ATOM 139 CD2 LEU A 13 -7.847 2.764 -2.244 1.00 0.00 C ATOM 0 H LEU A 13 -9.234 3.505 -0.033 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.771 4.958 -0.143 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -9.372 4.938 -1.679 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.171 6.178 -1.984 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.979 4.396 -3.611 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.598 3.831 -3.321 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -5.924 5.537 -2.934 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.685 4.357 -1.623 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -7.328 2.113 -2.947 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -7.482 2.572 -1.235 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -8.918 2.565 -2.287 1.00 0.00 H new ATOM 151 N GLU A 14 -9.432 6.410 1.096 1.00 0.00 N ATOM 152 CA GLU A 14 -9.903 7.586 1.817 1.00 0.00 C ATOM 153 C GLU A 14 -8.809 8.142 2.725 1.00 0.00 C ATOM 154 O GLU A 14 -8.395 9.295 2.605 1.00 0.00 O ATOM 155 CB GLU A 14 -11.142 7.240 2.646 1.00 0.00 C ATOM 156 CG GLU A 14 -12.452 7.518 1.928 1.00 0.00 C ATOM 157 CD GLU A 14 -12.924 8.948 2.109 1.00 0.00 C ATOM 158 OE1 GLU A 14 -13.650 9.213 3.090 1.00 0.00 O ATOM 159 OE2 GLU A 14 -12.569 9.801 1.269 1.00 0.00 O ATOM 0 H GLU A 14 -10.104 5.644 1.054 1.00 0.00 H new ATOM 0 HA GLU A 14 -10.166 8.349 1.084 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -11.104 6.185 2.918 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -11.118 7.810 3.575 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -12.330 7.311 0.865 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -13.217 6.837 2.300 1.00 0.00 H new ATOM 166 N PRO A 15 -8.330 7.303 3.655 1.00 0.00 N ATOM 167 CA PRO A 15 -7.278 7.688 4.601 1.00 0.00 C ATOM 168 C PRO A 15 -5.924 7.865 3.922 1.00 0.00 C ATOM 169 O PRO A 15 -5.169 8.780 4.251 1.00 0.00 O ATOM 170 CB PRO A 15 -7.236 6.513 5.581 1.00 0.00 C ATOM 171 CG PRO A 15 -7.755 5.352 4.804 1.00 0.00 C ATOM 172 CD PRO A 15 -8.777 5.914 3.855 1.00 0.00 C ATOM 0 HA PRO A 15 -7.486 8.648 5.074 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -6.222 6.330 5.936 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -7.851 6.708 6.459 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -6.951 4.854 4.262 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -8.202 4.609 5.464 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -8.801 5.361 2.916 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -9.782 5.872 4.275 1.00 0.00 H new ATOM 180 N LEU A 16 -5.624 6.985 2.974 1.00 0.00 N ATOM 181 CA LEU A 16 -4.360 7.045 2.248 1.00 0.00 C ATOM 182 C LEU A 16 -4.347 8.217 1.272 1.00 0.00 C ATOM 183 O LEU A 16 -3.295 8.600 0.759 1.00 0.00 O ATOM 184 CB LEU A 16 -4.120 5.736 1.493 1.00 0.00 C ATOM 185 CG LEU A 16 -4.011 4.476 2.352 1.00 0.00 C ATOM 186 CD1 LEU A 16 -3.782 3.252 1.478 1.00 0.00 C ATOM 187 CD2 LEU A 16 -2.891 4.622 3.372 1.00 0.00 C ATOM 0 H LEU A 16 -6.238 6.222 2.690 1.00 0.00 H new ATOM 0 HA LEU A 16 -3.560 7.191 2.974 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.933 5.597 0.781 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.202 5.837 0.914 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.950 4.343 2.889 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.707 2.365 2.107 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.617 3.137 0.787 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.858 3.376 0.913 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.828 3.716 3.975 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.945 4.780 2.854 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.097 5.475 4.019 1.00 0.00 H new ATOM 199 N LEU A 17 -5.522 8.785 1.023 1.00 0.00 N ATOM 200 CA LEU A 17 -5.646 9.917 0.111 1.00 0.00 C ATOM 201 C LEU A 17 -5.629 11.237 0.875 1.00 0.00 C ATOM 202 O LEU A 17 -4.932 12.177 0.493 1.00 0.00 O ATOM 203 CB LEU A 17 -6.937 9.802 -0.702 1.00 0.00 C ATOM 204 CG LEU A 17 -6.942 8.746 -1.808 1.00 0.00 C ATOM 205 CD1 LEU A 17 -8.335 8.600 -2.400 1.00 0.00 C ATOM 206 CD2 LEU A 17 -5.935 9.104 -2.892 1.00 0.00 C ATOM 0 H LEU A 17 -6.402 8.481 1.440 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.793 9.901 -0.567 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -7.756 9.585 -0.017 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -7.147 10.772 -1.153 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.652 7.790 -1.372 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -8.319 7.844 -3.185 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -9.032 8.297 -1.619 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -8.653 9.554 -2.821 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -5.952 8.342 -3.671 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -6.194 10.070 -3.325 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.937 9.157 -2.458 1.00 0.00 H new ATOM 218 N ALA A 18 -6.398 11.298 1.957 1.00 0.00 N ATOM 219 CA ALA A 18 -6.467 12.501 2.777 1.00 0.00 C ATOM 220 C ALA A 18 -5.117 12.810 3.414 1.00 0.00 C ATOM 221 O ALA A 18 -4.860 13.940 3.829 1.00 0.00 O ATOM 222 CB ALA A 18 -7.536 12.348 3.850 1.00 0.00 C ATOM 0 H ALA A 18 -6.982 10.529 2.286 1.00 0.00 H new ATOM 0 HA ALA A 18 -6.734 13.337 2.130 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -7.577 13.254 4.455 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -8.505 12.183 3.378 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -7.293 11.497 4.487 1.00 0.00 H new ATOM 228 N MET A 19 -4.257 11.799 3.488 1.00 0.00 N ATOM 229 CA MET A 19 -2.932 11.965 4.074 1.00 0.00 C ATOM 230 C MET A 19 -1.997 12.686 3.109 1.00 0.00 C ATOM 231 O MET A 19 -1.027 13.319 3.525 1.00 0.00 O ATOM 232 CB MET A 19 -2.344 10.603 4.450 1.00 0.00 C ATOM 233 CG MET A 19 -3.029 9.954 5.642 1.00 0.00 C ATOM 234 SD MET A 19 -2.275 10.416 7.213 1.00 0.00 S ATOM 235 CE MET A 19 -1.959 8.803 7.925 1.00 0.00 C ATOM 0 H MET A 19 -4.454 10.857 3.150 1.00 0.00 H new ATOM 0 HA MET A 19 -3.033 12.571 4.974 1.00 0.00 H new ATOM 0 HB2 MET A 19 -2.417 9.935 3.591 1.00 0.00 H new ATOM 0 HB3 MET A 19 -1.283 10.723 4.672 1.00 0.00 H new ATOM 0 HG2 MET A 19 -4.081 10.239 5.651 1.00 0.00 H new ATOM 0 HG3 MET A 19 -2.993 8.870 5.531 1.00 0.00 H new ATOM 0 HE1 MET A 19 -1.174 8.885 8.677 1.00 0.00 H new ATOM 0 HE2 MET A 19 -2.870 8.426 8.391 1.00 0.00 H new ATOM 0 HE3 MET A 19 -1.641 8.115 7.141 1.00 0.00 H new ATOM 245 N GLY A 20 -2.295 12.586 1.816 1.00 0.00 N ATOM 246 CA GLY A 20 -1.470 13.234 0.813 1.00 0.00 C ATOM 247 C GLY A 20 -1.011 12.275 -0.267 1.00 0.00 C ATOM 248 O GLY A 20 -0.730 12.685 -1.394 1.00 0.00 O ATOM 0 H GLY A 20 -3.092 12.068 1.446 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -2.031 14.049 0.356 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -0.599 13.678 1.295 1.00 0.00 H new ATOM 252 N PHE A 21 -0.933 10.993 0.075 1.00 0.00 N ATOM 253 CA PHE A 21 -0.502 9.973 -0.873 1.00 0.00 C ATOM 254 C PHE A 21 -1.521 9.811 -1.998 1.00 0.00 C ATOM 255 O PHE A 21 -2.732 9.834 -1.780 1.00 0.00 O ATOM 256 CB PHE A 21 -0.298 8.635 -0.158 1.00 0.00 C ATOM 257 CG PHE A 21 0.417 8.762 1.156 1.00 0.00 C ATOM 258 CD1 PHE A 21 1.798 8.865 1.202 1.00 0.00 C ATOM 259 CD2 PHE A 21 -0.291 8.777 2.347 1.00 0.00 C ATOM 260 CE1 PHE A 21 2.459 8.980 2.410 1.00 0.00 C ATOM 261 CE2 PHE A 21 0.364 8.893 3.559 1.00 0.00 C ATOM 262 CZ PHE A 21 1.741 8.996 3.590 1.00 0.00 C ATOM 0 H PHE A 21 -1.163 10.636 1.002 1.00 0.00 H new ATOM 0 HA PHE A 21 0.445 10.293 -1.307 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -1.269 8.169 0.009 1.00 0.00 H new ATOM 0 HB3 PHE A 21 0.268 7.967 -0.808 1.00 0.00 H new ATOM 0 HD1 PHE A 21 2.365 8.855 0.283 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -1.368 8.697 2.328 1.00 0.00 H new ATOM 0 HE1 PHE A 21 3.536 9.057 2.432 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -0.200 8.903 4.480 1.00 0.00 H new ATOM 0 HZ PHE A 21 2.255 9.089 4.535 1.00 0.00 H new ATOM 272 N PRO A 22 -1.019 9.643 -3.230 1.00 0.00 N ATOM 273 CA PRO A 22 -1.866 9.474 -4.414 1.00 0.00 C ATOM 274 C PRO A 22 -2.592 8.133 -4.421 1.00 0.00 C ATOM 275 O PRO A 22 -2.682 7.459 -3.394 1.00 0.00 O ATOM 276 CB PRO A 22 -0.873 9.551 -5.576 1.00 0.00 C ATOM 277 CG PRO A 22 0.430 9.128 -4.989 1.00 0.00 C ATOM 278 CD PRO A 22 0.415 9.605 -3.563 1.00 0.00 C ATOM 0 HA PRO A 22 -2.655 10.224 -4.460 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -1.170 8.895 -6.395 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -0.815 10.561 -5.981 1.00 0.00 H new ATOM 0 HG2 PRO A 22 0.547 8.045 -5.037 1.00 0.00 H new ATOM 0 HG3 PRO A 22 1.265 9.564 -5.538 1.00 0.00 H new ATOM 0 HD2 PRO A 22 0.962 8.928 -2.907 1.00 0.00 H new ATOM 0 HD3 PRO A 22 0.877 10.587 -3.463 1.00 0.00 H new ATOM 286 N VAL A 23 -3.107 7.750 -5.585 1.00 0.00 N ATOM 287 CA VAL A 23 -3.823 6.487 -5.725 1.00 0.00 C ATOM 288 C VAL A 23 -2.866 5.345 -6.046 1.00 0.00 C ATOM 289 O VAL A 23 -2.808 4.348 -5.326 1.00 0.00 O ATOM 290 CB VAL A 23 -4.894 6.570 -6.829 1.00 0.00 C ATOM 291 CG1 VAL A 23 -5.361 5.177 -7.225 1.00 0.00 C ATOM 292 CG2 VAL A 23 -6.067 7.424 -6.370 1.00 0.00 C ATOM 0 H VAL A 23 -3.042 8.296 -6.444 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.310 6.291 -4.770 1.00 0.00 H new ATOM 0 HB VAL A 23 -4.452 7.042 -7.706 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -6.117 5.255 -8.006 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -4.514 4.601 -7.597 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -5.787 4.675 -6.356 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -6.814 7.472 -7.162 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.512 6.982 -5.478 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -5.717 8.430 -6.140 1.00 0.00 H new ATOM 302 N HIS A 24 -2.114 5.497 -7.132 1.00 0.00 N ATOM 303 CA HIS A 24 -1.157 4.478 -7.548 1.00 0.00 C ATOM 304 C HIS A 24 -0.260 4.068 -6.384 1.00 0.00 C ATOM 305 O HIS A 24 0.123 2.904 -6.261 1.00 0.00 O ATOM 306 CB HIS A 24 -0.304 4.993 -8.708 1.00 0.00 C ATOM 307 CG HIS A 24 -0.099 6.476 -8.688 1.00 0.00 C ATOM 308 ND1 HIS A 24 -0.489 7.304 -9.719 1.00 0.00 N ATOM 309 CD2 HIS A 24 0.459 7.280 -7.753 1.00 0.00 C ATOM 310 CE1 HIS A 24 -0.179 8.553 -9.420 1.00 0.00 C ATOM 311 NE2 HIS A 24 0.397 8.566 -8.232 1.00 0.00 N ATOM 0 H HIS A 24 -2.149 6.316 -7.739 1.00 0.00 H new ATOM 0 HA HIS A 24 -1.716 3.603 -7.879 1.00 0.00 H new ATOM 0 HB2 HIS A 24 0.668 4.500 -8.681 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -0.777 4.713 -9.649 1.00 0.00 H new ATOM 0 HD2 HIS A 24 0.875 6.968 -6.806 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -0.365 9.416 -10.042 1.00 0.00 H new ATOM 0 HE2 HIS A 24 0.740 9.396 -7.749 1.00 0.00 H new ATOM 320 N THR A 25 0.074 5.033 -5.532 1.00 0.00 N ATOM 321 CA THR A 25 0.928 4.773 -4.380 1.00 0.00 C ATOM 322 C THR A 25 0.162 4.046 -3.280 1.00 0.00 C ATOM 323 O THR A 25 0.555 2.963 -2.848 1.00 0.00 O ATOM 324 CB THR A 25 1.511 6.078 -3.807 1.00 0.00 C ATOM 325 OG1 THR A 25 2.320 6.728 -4.793 1.00 0.00 O ATOM 326 CG2 THR A 25 2.343 5.800 -2.564 1.00 0.00 C ATOM 0 H THR A 25 -0.234 6.001 -5.619 1.00 0.00 H new ATOM 0 HA THR A 25 1.745 4.141 -4.729 1.00 0.00 H new ATOM 0 HB THR A 25 0.682 6.729 -3.531 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.685 7.558 -4.421 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.744 6.737 -2.178 1.00 0.00 H new ATOM 0 HG22 THR A 25 1.717 5.333 -1.804 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.165 5.131 -2.819 1.00 0.00 H new ATOM 334 N ALA A 26 -0.935 4.649 -2.832 1.00 0.00 N ATOM 335 CA ALA A 26 -1.758 4.058 -1.785 1.00 0.00 C ATOM 336 C ALA A 26 -2.128 2.618 -2.125 1.00 0.00 C ATOM 337 O ALA A 26 -2.220 1.764 -1.242 1.00 0.00 O ATOM 338 CB ALA A 26 -3.013 4.890 -1.567 1.00 0.00 C ATOM 0 H ALA A 26 -1.274 5.547 -3.178 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.177 4.048 -0.863 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -3.618 4.437 -0.782 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.733 5.901 -1.271 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -3.589 4.930 -2.492 1.00 0.00 H new ATOM 344 N LEU A 27 -2.341 2.354 -3.409 1.00 0.00 N ATOM 345 CA LEU A 27 -2.702 1.017 -3.866 1.00 0.00 C ATOM 346 C LEU A 27 -1.545 0.042 -3.667 1.00 0.00 C ATOM 347 O LEU A 27 -1.743 -1.092 -3.231 1.00 0.00 O ATOM 348 CB LEU A 27 -3.105 1.052 -5.342 1.00 0.00 C ATOM 349 CG LEU A 27 -4.343 1.884 -5.680 1.00 0.00 C ATOM 350 CD1 LEU A 27 -4.284 2.367 -7.120 1.00 0.00 C ATOM 351 CD2 LEU A 27 -5.610 1.077 -5.437 1.00 0.00 C ATOM 0 H LEU A 27 -2.270 3.049 -4.153 1.00 0.00 H new ATOM 0 HA LEU A 27 -3.549 0.674 -3.272 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -2.264 1.438 -5.919 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -3.277 0.029 -5.675 1.00 0.00 H new ATOM 0 HG LEU A 27 -4.361 2.756 -5.027 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.173 2.957 -7.343 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -3.395 2.982 -7.261 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -4.241 1.508 -7.790 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -6.481 1.684 -5.683 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.600 0.186 -6.065 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.658 0.781 -4.389 1.00 0.00 H new ATOM 363 N LYS A 28 -0.337 0.493 -3.986 1.00 0.00 N ATOM 364 CA LYS A 28 0.853 -0.337 -3.839 1.00 0.00 C ATOM 365 C LYS A 28 1.013 -0.808 -2.397 1.00 0.00 C ATOM 366 O LYS A 28 1.201 -1.997 -2.140 1.00 0.00 O ATOM 367 CB LYS A 28 2.098 0.440 -4.273 1.00 0.00 C ATOM 368 CG LYS A 28 2.438 0.270 -5.744 1.00 0.00 C ATOM 369 CD LYS A 28 3.629 1.125 -6.143 1.00 0.00 C ATOM 370 CE LYS A 28 3.192 2.503 -6.617 1.00 0.00 C ATOM 371 NZ LYS A 28 2.878 2.515 -8.073 1.00 0.00 N ATOM 0 H LYS A 28 -0.156 1.429 -4.348 1.00 0.00 H new ATOM 0 HA LYS A 28 0.736 -1.212 -4.478 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.947 1.499 -4.064 1.00 0.00 H new ATOM 0 HB3 LYS A 28 2.947 0.114 -3.672 1.00 0.00 H new ATOM 0 HG2 LYS A 28 2.656 -0.778 -5.949 1.00 0.00 H new ATOM 0 HG3 LYS A 28 1.575 0.541 -6.352 1.00 0.00 H new ATOM 0 HD2 LYS A 28 4.305 1.228 -5.294 1.00 0.00 H new ATOM 0 HD3 LYS A 28 4.187 0.626 -6.936 1.00 0.00 H new ATOM 0 HE2 LYS A 28 2.314 2.819 -6.054 1.00 0.00 H new ATOM 0 HE3 LYS A 28 3.981 3.226 -6.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 2.584 3.471 -8.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.723 2.238 -8.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 2.107 1.844 -8.267 1.00 0.00 H new ATOM 385 N ALA A 29 0.934 0.131 -1.460 1.00 0.00 N ATOM 386 CA ALA A 29 1.067 -0.189 -0.044 1.00 0.00 C ATOM 387 C ALA A 29 -0.053 -1.116 0.416 1.00 0.00 C ATOM 388 O ALA A 29 0.180 -2.062 1.170 1.00 0.00 O ATOM 389 CB ALA A 29 1.075 1.085 0.787 1.00 0.00 C ATOM 0 H ALA A 29 0.779 1.120 -1.656 1.00 0.00 H new ATOM 0 HA ALA A 29 2.015 -0.708 0.099 1.00 0.00 H new ATOM 0 HB1 ALA A 29 1.175 0.831 1.842 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.914 1.712 0.484 1.00 0.00 H new ATOM 0 HB3 ALA A 29 0.142 1.627 0.631 1.00 0.00 H new ATOM 395 N LEU A 30 -1.270 -0.839 -0.041 1.00 0.00 N ATOM 396 CA LEU A 30 -2.427 -1.648 0.324 1.00 0.00 C ATOM 397 C LEU A 30 -2.217 -3.107 -0.068 1.00 0.00 C ATOM 398 O LEU A 30 -2.264 -4.000 0.778 1.00 0.00 O ATOM 399 CB LEU A 30 -3.688 -1.103 -0.350 1.00 0.00 C ATOM 400 CG LEU A 30 -4.384 0.055 0.366 1.00 0.00 C ATOM 401 CD1 LEU A 30 -5.486 0.635 -0.507 1.00 0.00 C ATOM 402 CD2 LEU A 30 -4.946 -0.405 1.703 1.00 0.00 C ATOM 0 H LEU A 30 -1.480 -0.060 -0.665 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.549 -1.596 1.406 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.426 -0.777 -1.356 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -4.402 -1.920 -0.456 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.648 0.837 0.554 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -5.971 1.458 0.018 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.057 1.002 -1.439 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -6.222 -0.139 -0.726 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.438 0.432 2.198 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.669 -1.204 1.538 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.135 -0.773 2.331 1.00 0.00 H new ATOM 414 N ALA A 31 -1.984 -3.341 -1.355 1.00 0.00 N ATOM 415 CA ALA A 31 -1.762 -4.691 -1.858 1.00 0.00 C ATOM 416 C ALA A 31 -0.543 -5.329 -1.201 1.00 0.00 C ATOM 417 O ALA A 31 -0.531 -6.528 -0.925 1.00 0.00 O ATOM 418 CB ALA A 31 -1.599 -4.670 -3.371 1.00 0.00 C ATOM 0 H ALA A 31 -1.944 -2.613 -2.068 1.00 0.00 H new ATOM 0 HA ALA A 31 -2.634 -5.294 -1.606 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -1.434 -5.685 -3.733 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -2.501 -4.264 -3.829 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -0.745 -4.047 -3.636 1.00 0.00 H new ATOM 424 N ALA A 32 0.481 -4.519 -0.953 1.00 0.00 N ATOM 425 CA ALA A 32 1.705 -5.004 -0.327 1.00 0.00 C ATOM 426 C ALA A 32 1.434 -5.515 1.084 1.00 0.00 C ATOM 427 O ALA A 32 1.799 -6.639 1.430 1.00 0.00 O ATOM 428 CB ALA A 32 2.756 -3.904 -0.300 1.00 0.00 C ATOM 0 H ALA A 32 0.487 -3.524 -1.176 1.00 0.00 H new ATOM 0 HA ALA A 32 2.082 -5.837 -0.921 1.00 0.00 H new ATOM 0 HB1 ALA A 32 3.665 -4.280 0.170 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.979 -3.589 -1.319 1.00 0.00 H new ATOM 0 HB3 ALA A 32 2.379 -3.054 0.269 1.00 0.00 H new ATOM 434 N THR A 33 0.793 -4.682 1.898 1.00 0.00 N ATOM 435 CA THR A 33 0.475 -5.049 3.272 1.00 0.00 C ATOM 436 C THR A 33 -0.560 -6.167 3.317 1.00 0.00 C ATOM 437 O THR A 33 -0.363 -7.182 3.983 1.00 0.00 O ATOM 438 CB THR A 33 -0.056 -3.841 4.067 1.00 0.00 C ATOM 439 OG1 THR A 33 -1.259 -3.350 3.467 1.00 0.00 O ATOM 440 CG2 THR A 33 0.981 -2.729 4.119 1.00 0.00 C ATOM 0 H THR A 33 0.484 -3.748 1.629 1.00 0.00 H new ATOM 0 HA THR A 33 1.401 -5.397 3.729 1.00 0.00 H new ATOM 0 HB THR A 33 -0.266 -4.169 5.085 1.00 0.00 H new ATOM 0 HG1 THR A 33 -1.039 -2.860 2.647 1.00 0.00 H new ATOM 0 HG21 THR A 33 0.583 -1.887 4.685 1.00 0.00 H new ATOM 0 HG22 THR A 33 1.885 -3.097 4.603 1.00 0.00 H new ATOM 0 HG23 THR A 33 1.218 -2.405 3.106 1.00 0.00 H new ATOM 448 N GLY A 34 -1.665 -5.974 2.603 1.00 0.00 N ATOM 449 CA GLY A 34 -2.715 -6.976 2.575 1.00 0.00 C ATOM 450 C GLY A 34 -4.086 -6.386 2.837 1.00 0.00 C ATOM 451 O GLY A 34 -4.929 -7.017 3.475 1.00 0.00 O ATOM 0 H GLY A 34 -1.852 -5.142 2.044 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.715 -7.471 1.604 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.503 -7.741 3.322 1.00 0.00 H new ATOM 455 N ARG A 35 -4.310 -5.171 2.345 1.00 0.00 N ATOM 456 CA ARG A 35 -5.588 -4.495 2.532 1.00 0.00 C ATOM 457 C ARG A 35 -6.175 -4.812 3.904 1.00 0.00 C ATOM 458 O ARG A 35 -7.377 -5.042 4.040 1.00 0.00 O ATOM 459 CB ARG A 35 -6.572 -4.907 1.437 1.00 0.00 C ATOM 460 CG ARG A 35 -6.171 -4.436 0.048 1.00 0.00 C ATOM 461 CD ARG A 35 -6.735 -5.344 -1.033 1.00 0.00 C ATOM 462 NE ARG A 35 -6.975 -4.625 -2.281 1.00 0.00 N ATOM 463 CZ ARG A 35 -7.843 -3.626 -2.399 1.00 0.00 C ATOM 464 NH1 ARG A 35 -8.549 -3.230 -1.349 1.00 0.00 N ATOM 465 NH2 ARG A 35 -8.006 -3.021 -3.569 1.00 0.00 N ATOM 0 H ARG A 35 -3.623 -4.635 1.814 1.00 0.00 H new ATOM 0 HA ARG A 35 -5.415 -3.421 2.469 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -6.662 -5.993 1.431 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -7.557 -4.507 1.677 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -6.527 -3.418 -0.109 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -5.084 -4.409 -0.029 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -6.041 -6.165 -1.215 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -7.668 -5.787 -0.684 1.00 0.00 H new ATOM 0 HE ARG A 35 -6.447 -4.905 -3.108 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -8.426 -3.692 -0.448 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -9.215 -2.463 -1.442 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -7.465 -3.323 -4.379 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -8.673 -2.254 -3.658 1.00 0.00 H new ATOM 479 N LYS A 36 -5.319 -4.823 4.921 1.00 0.00 N ATOM 480 CA LYS A 36 -5.751 -5.111 6.283 1.00 0.00 C ATOM 481 C LYS A 36 -6.305 -3.858 6.954 1.00 0.00 C ATOM 482 O LYS A 36 -7.484 -3.797 7.302 1.00 0.00 O ATOM 483 CB LYS A 36 -4.586 -5.669 7.103 1.00 0.00 C ATOM 484 CG LYS A 36 -4.119 -7.039 6.642 1.00 0.00 C ATOM 485 CD LYS A 36 -3.304 -7.741 7.715 1.00 0.00 C ATOM 486 CE LYS A 36 -2.341 -8.752 7.112 1.00 0.00 C ATOM 487 NZ LYS A 36 -3.041 -9.989 6.668 1.00 0.00 N ATOM 0 H LYS A 36 -4.321 -4.635 4.827 1.00 0.00 H new ATOM 0 HA LYS A 36 -6.544 -5.858 6.236 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -3.749 -4.972 7.050 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.885 -5.729 8.149 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -4.983 -7.650 6.382 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -3.519 -6.935 5.738 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -2.745 -7.003 8.290 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.974 -8.246 8.411 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -1.826 -8.302 6.263 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -1.578 -9.010 7.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -2.350 -10.653 6.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -3.511 -10.433 7.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -3.751 -9.747 5.948 1.00 0.00 H new ATOM 501 N THR A 37 -5.446 -2.859 7.133 1.00 0.00 N ATOM 502 CA THR A 37 -5.849 -1.608 7.762 1.00 0.00 C ATOM 503 C THR A 37 -5.149 -0.417 7.116 1.00 0.00 C ATOM 504 O THR A 37 -4.023 -0.534 6.633 1.00 0.00 O ATOM 505 CB THR A 37 -5.541 -1.613 9.271 1.00 0.00 C ATOM 506 OG1 THR A 37 -6.003 -0.397 9.869 1.00 0.00 O ATOM 507 CG2 THR A 37 -4.048 -1.770 9.518 1.00 0.00 C ATOM 0 H THR A 37 -4.466 -2.893 6.851 1.00 0.00 H new ATOM 0 HA THR A 37 -6.926 -1.515 7.619 1.00 0.00 H new ATOM 0 HB THR A 37 -6.059 -2.459 9.722 1.00 0.00 H new ATOM 0 HG1 THR A 37 -5.805 -0.409 10.829 1.00 0.00 H new ATOM 0 HG21 THR A 37 -3.855 -1.771 10.591 1.00 0.00 H new ATOM 0 HG22 THR A 37 -3.705 -2.710 9.087 1.00 0.00 H new ATOM 0 HG23 THR A 37 -3.513 -0.941 9.054 1.00 0.00 H new ATOM 515 N ALA A 38 -5.823 0.728 7.111 1.00 0.00 N ATOM 516 CA ALA A 38 -5.264 1.941 6.527 1.00 0.00 C ATOM 517 C ALA A 38 -3.857 2.205 7.051 1.00 0.00 C ATOM 518 O ALA A 38 -2.959 2.565 6.291 1.00 0.00 O ATOM 519 CB ALA A 38 -6.168 3.130 6.814 1.00 0.00 C ATOM 0 H ALA A 38 -6.757 0.841 7.505 1.00 0.00 H new ATOM 0 HA ALA A 38 -5.201 1.799 5.448 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -5.738 4.029 6.372 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -7.153 2.950 6.384 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -6.261 3.264 7.892 1.00 0.00 H new ATOM 525 N GLU A 39 -3.672 2.024 8.355 1.00 0.00 N ATOM 526 CA GLU A 39 -2.374 2.244 8.981 1.00 0.00 C ATOM 527 C GLU A 39 -1.298 1.390 8.316 1.00 0.00 C ATOM 528 O GLU A 39 -0.268 1.901 7.879 1.00 0.00 O ATOM 529 CB GLU A 39 -2.442 1.926 10.476 1.00 0.00 C ATOM 530 CG GLU A 39 -1.078 1.769 11.127 1.00 0.00 C ATOM 531 CD GLU A 39 -1.168 1.566 12.627 1.00 0.00 C ATOM 532 OE1 GLU A 39 -1.776 2.420 13.305 1.00 0.00 O ATOM 533 OE2 GLU A 39 -0.631 0.553 13.123 1.00 0.00 O ATOM 0 H GLU A 39 -4.405 1.725 8.998 1.00 0.00 H new ATOM 0 HA GLU A 39 -2.111 3.294 8.853 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.988 2.721 10.984 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -3.011 1.007 10.618 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -0.561 0.920 10.679 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -0.476 2.654 10.919 1.00 0.00 H new ATOM 540 N GLU A 40 -1.546 0.086 8.245 1.00 0.00 N ATOM 541 CA GLU A 40 -0.598 -0.839 7.635 1.00 0.00 C ATOM 542 C GLU A 40 0.076 -0.206 6.422 1.00 0.00 C ATOM 543 O GLU A 40 1.298 -0.251 6.284 1.00 0.00 O ATOM 544 CB GLU A 40 -1.307 -2.131 7.222 1.00 0.00 C ATOM 545 CG GLU A 40 -1.317 -3.194 8.308 1.00 0.00 C ATOM 546 CD GLU A 40 -0.112 -4.112 8.238 1.00 0.00 C ATOM 547 OE1 GLU A 40 1.023 -3.597 8.163 1.00 0.00 O ATOM 548 OE2 GLU A 40 -0.304 -5.346 8.258 1.00 0.00 O ATOM 0 H GLU A 40 -2.394 -0.353 8.602 1.00 0.00 H new ATOM 0 HA GLU A 40 0.169 -1.073 8.374 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -2.335 -1.898 6.944 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -0.820 -2.535 6.334 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -1.344 -2.710 9.284 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -2.227 -3.788 8.221 1.00 0.00 H new ATOM 555 N ALA A 41 -0.729 0.383 5.544 1.00 0.00 N ATOM 556 CA ALA A 41 -0.211 1.026 4.344 1.00 0.00 C ATOM 557 C ALA A 41 0.861 2.054 4.690 1.00 0.00 C ATOM 558 O ALA A 41 1.907 2.118 4.043 1.00 0.00 O ATOM 559 CB ALA A 41 -1.343 1.683 3.567 1.00 0.00 C ATOM 0 H ALA A 41 -1.743 0.428 5.642 1.00 0.00 H new ATOM 0 HA ALA A 41 0.247 0.259 3.720 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -0.942 2.160 2.673 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -2.073 0.927 3.279 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -1.826 2.434 4.193 1.00 0.00 H new ATOM 565 N LEU A 42 0.595 2.856 5.715 1.00 0.00 N ATOM 566 CA LEU A 42 1.537 3.882 6.148 1.00 0.00 C ATOM 567 C LEU A 42 2.866 3.260 6.565 1.00 0.00 C ATOM 568 O LEU A 42 3.930 3.836 6.342 1.00 0.00 O ATOM 569 CB LEU A 42 0.950 4.685 7.310 1.00 0.00 C ATOM 570 CG LEU A 42 0.137 5.923 6.928 1.00 0.00 C ATOM 571 CD1 LEU A 42 1.054 7.032 6.435 1.00 0.00 C ATOM 572 CD2 LEU A 42 -0.898 5.575 5.868 1.00 0.00 C ATOM 0 H LEU A 42 -0.265 2.816 6.262 1.00 0.00 H new ATOM 0 HA LEU A 42 1.718 4.552 5.307 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.313 4.024 7.897 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.768 4.998 7.959 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.386 6.279 7.816 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.458 7.905 6.168 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.757 7.300 7.224 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.605 6.687 5.560 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.467 6.468 5.608 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.395 5.194 4.979 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.574 4.814 6.256 1.00 0.00 H new ATOM 584 N ALA A 43 2.796 2.079 7.171 1.00 0.00 N ATOM 585 CA ALA A 43 3.993 1.377 7.616 1.00 0.00 C ATOM 586 C ALA A 43 4.798 0.858 6.429 1.00 0.00 C ATOM 587 O ALA A 43 6.015 0.695 6.517 1.00 0.00 O ATOM 588 CB ALA A 43 3.618 0.230 8.543 1.00 0.00 C ATOM 0 H ALA A 43 1.923 1.589 7.365 1.00 0.00 H new ATOM 0 HA ALA A 43 4.616 2.084 8.164 1.00 0.00 H new ATOM 0 HB1 ALA A 43 4.522 -0.286 8.868 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.092 0.623 9.413 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.972 -0.470 8.013 1.00 0.00 H new ATOM 594 N TRP A 44 4.111 0.601 5.322 1.00 0.00 N ATOM 595 CA TRP A 44 4.764 0.100 4.117 1.00 0.00 C ATOM 596 C TRP A 44 5.289 1.250 3.264 1.00 0.00 C ATOM 597 O TRP A 44 6.275 1.100 2.542 1.00 0.00 O ATOM 598 CB TRP A 44 3.790 -0.753 3.302 1.00 0.00 C ATOM 599 CG TRP A 44 4.379 -1.271 2.025 1.00 0.00 C ATOM 600 CD1 TRP A 44 4.956 -2.492 1.825 1.00 0.00 C ATOM 601 CD2 TRP A 44 4.450 -0.581 0.773 1.00 0.00 C ATOM 602 NE1 TRP A 44 5.382 -2.603 0.524 1.00 0.00 N ATOM 603 CE2 TRP A 44 5.082 -1.445 -0.143 1.00 0.00 C ATOM 604 CE3 TRP A 44 4.039 0.681 0.335 1.00 0.00 C ATOM 605 CZ2 TRP A 44 5.313 -1.085 -1.468 1.00 0.00 C ATOM 606 CZ3 TRP A 44 4.269 1.037 -0.981 1.00 0.00 C ATOM 607 CH2 TRP A 44 4.900 0.157 -1.870 1.00 0.00 C ATOM 0 H TRP A 44 3.103 0.731 5.233 1.00 0.00 H new ATOM 0 HA TRP A 44 5.610 -0.517 4.421 1.00 0.00 H new ATOM 0 HB2 TRP A 44 3.460 -1.596 3.910 1.00 0.00 H new ATOM 0 HB3 TRP A 44 2.905 -0.160 3.071 1.00 0.00 H new ATOM 0 HD1 TRP A 44 5.062 -3.258 2.579 1.00 0.00 H new ATOM 0 HE1 TRP A 44 5.847 -3.416 0.120 1.00 0.00 H new ATOM 0 HE3 TRP A 44 3.551 1.366 1.012 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 5.801 -1.761 -2.154 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 3.957 2.010 -1.330 1.00 0.00 H new ATOM 0 HH2 TRP A 44 5.064 0.464 -2.892 1.00 0.00 H new ATOM 618 N LEU A 45 4.625 2.397 3.352 1.00 0.00 N ATOM 619 CA LEU A 45 5.025 3.573 2.588 1.00 0.00 C ATOM 620 C LEU A 45 6.230 4.255 3.229 1.00 0.00 C ATOM 621 O LEU A 45 7.116 4.754 2.534 1.00 0.00 O ATOM 622 CB LEU A 45 3.861 4.560 2.486 1.00 0.00 C ATOM 623 CG LEU A 45 2.677 4.115 1.626 1.00 0.00 C ATOM 624 CD1 LEU A 45 1.442 4.940 1.951 1.00 0.00 C ATOM 625 CD2 LEU A 45 3.020 4.224 0.148 1.00 0.00 C ATOM 0 H LEU A 45 3.807 2.538 3.945 1.00 0.00 H new ATOM 0 HA LEU A 45 5.305 3.247 1.586 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.496 4.766 3.492 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.242 5.500 2.086 1.00 0.00 H new ATOM 0 HG LEU A 45 2.461 3.071 1.852 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.610 4.609 1.330 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.184 4.810 3.002 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.646 5.993 1.755 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.166 3.903 -0.448 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.263 5.259 -0.094 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.877 3.588 -0.074 1.00 0.00 H new ATOM 637 N HIS A 46 6.257 4.270 4.558 1.00 0.00 N ATOM 638 CA HIS A 46 7.355 4.888 5.293 1.00 0.00 C ATOM 639 C HIS A 46 8.624 4.048 5.182 1.00 0.00 C ATOM 640 O HIS A 46 9.729 4.543 5.401 1.00 0.00 O ATOM 641 CB HIS A 46 6.975 5.067 6.763 1.00 0.00 C ATOM 642 CG HIS A 46 6.225 6.334 7.037 1.00 0.00 C ATOM 643 ND1 HIS A 46 6.810 7.448 7.601 1.00 0.00 N ATOM 644 CD2 HIS A 46 4.929 6.660 6.821 1.00 0.00 C ATOM 645 CE1 HIS A 46 5.906 8.404 7.721 1.00 0.00 C ATOM 646 NE2 HIS A 46 4.756 7.951 7.254 1.00 0.00 N ATOM 0 H HIS A 46 5.532 3.862 5.148 1.00 0.00 H new ATOM 0 HA HIS A 46 7.549 5.867 4.854 1.00 0.00 H new ATOM 0 HB2 HIS A 46 6.367 4.219 7.079 1.00 0.00 H new ATOM 0 HB3 HIS A 46 7.881 5.053 7.369 1.00 0.00 H new ATOM 0 HD2 HIS A 46 4.172 6.023 6.388 1.00 0.00 H new ATOM 0 HE1 HIS A 46 6.078 9.388 8.131 1.00 0.00 H new ATOM 0 HE2 HIS A 46 3.882 8.475 7.221 1.00 0.00 H new ATOM 655 N ASP A 47 8.457 2.775 4.840 1.00 0.00 N ATOM 656 CA ASP A 47 9.588 1.866 4.700 1.00 0.00 C ATOM 657 C ASP A 47 10.027 1.765 3.242 1.00 0.00 C ATOM 658 O ASP A 47 11.186 1.470 2.951 1.00 0.00 O ATOM 659 CB ASP A 47 9.226 0.479 5.234 1.00 0.00 C ATOM 660 CG ASP A 47 9.527 0.331 6.712 1.00 0.00 C ATOM 661 OD1 ASP A 47 8.813 0.949 7.528 1.00 0.00 O ATOM 662 OD2 ASP A 47 10.478 -0.404 7.053 1.00 0.00 O ATOM 0 H ASP A 47 7.549 2.349 4.655 1.00 0.00 H new ATOM 0 HA ASP A 47 10.417 2.266 5.284 1.00 0.00 H new ATOM 0 HB2 ASP A 47 8.166 0.292 5.062 1.00 0.00 H new ATOM 0 HB3 ASP A 47 9.778 -0.277 4.676 1.00 0.00 H new ATOM 667 N HIS A 48 9.092 2.011 2.330 1.00 0.00 N ATOM 668 CA HIS A 48 9.381 1.947 0.902 1.00 0.00 C ATOM 669 C HIS A 48 9.785 3.318 0.368 1.00 0.00 C ATOM 670 O HIS A 48 10.817 3.460 -0.289 1.00 0.00 O ATOM 671 CB HIS A 48 8.165 1.426 0.136 1.00 0.00 C ATOM 672 CG HIS A 48 8.114 -0.067 0.037 1.00 0.00 C ATOM 673 ND1 HIS A 48 8.164 -0.744 -1.163 1.00 0.00 N ATOM 674 CD2 HIS A 48 8.018 -1.015 0.998 1.00 0.00 C ATOM 675 CE1 HIS A 48 8.100 -2.044 -0.936 1.00 0.00 C ATOM 676 NE2 HIS A 48 8.011 -2.235 0.368 1.00 0.00 N ATOM 0 H HIS A 48 8.128 2.256 2.554 1.00 0.00 H new ATOM 0 HA HIS A 48 10.214 1.259 0.756 1.00 0.00 H new ATOM 0 HB2 HIS A 48 7.258 1.781 0.626 1.00 0.00 H new ATOM 0 HB3 HIS A 48 8.171 1.849 -0.869 1.00 0.00 H new ATOM 0 HD2 HIS A 48 7.958 -0.844 2.063 1.00 0.00 H new ATOM 0 HE1 HIS A 48 8.117 -2.819 -1.688 1.00 0.00 H new ATOM 0 HE2 HIS A 48 7.947 -3.141 0.832 1.00 0.00 H new ATOM 685 N CYS A 49 8.965 4.323 0.653 1.00 0.00 N ATOM 686 CA CYS A 49 9.236 5.683 0.200 1.00 0.00 C ATOM 687 C CYS A 49 10.722 6.008 0.313 1.00 0.00 C ATOM 688 O CYS A 49 11.253 6.807 -0.458 1.00 0.00 O ATOM 689 CB CYS A 49 8.418 6.687 1.014 1.00 0.00 C ATOM 690 SG CYS A 49 8.956 6.855 2.732 1.00 0.00 S ATOM 0 H CYS A 49 8.107 4.222 1.195 1.00 0.00 H new ATOM 0 HA CYS A 49 8.946 5.755 -0.848 1.00 0.00 H new ATOM 0 HB2 CYS A 49 8.473 7.662 0.530 1.00 0.00 H new ATOM 0 HB3 CYS A 49 7.371 6.383 1.000 1.00 0.00 H new ATOM 0 HG CYS A 49 8.206 7.726 3.339 1.00 0.00 H new ATOM 696 N ASN A 50 11.386 5.385 1.280 1.00 0.00 N ATOM 697 CA ASN A 50 12.811 5.609 1.496 1.00 0.00 C ATOM 698 C ASN A 50 13.580 5.525 0.181 1.00 0.00 C ATOM 699 O ASN A 50 14.300 6.452 -0.190 1.00 0.00 O ATOM 700 CB ASN A 50 13.365 4.587 2.490 1.00 0.00 C ATOM 701 CG ASN A 50 13.019 4.931 3.926 1.00 0.00 C ATOM 702 OD1 ASN A 50 12.251 4.062 4.574 1.00 0.00 O flip ATOM 703 ND2 ASN A 50 13.437 5.966 4.446 1.00 0.00 N flip ATOM 0 H ASN A 50 10.961 4.721 1.927 1.00 0.00 H new ATOM 0 HA ASN A 50 12.937 6.610 1.907 1.00 0.00 H new ATOM 0 HB2 ASN A 50 12.970 3.600 2.250 1.00 0.00 H new ATOM 0 HB3 ASN A 50 14.448 4.531 2.384 1.00 0.00 H new ATOM 0 HD21 ASN A 50 14.024 6.605 3.910 1.00 0.00 H new ATOM 0 HD22 ASN A 50 13.196 6.185 5.413 1.00 0.00 H new ATOM 710 N ASP A 51 13.423 4.407 -0.519 1.00 0.00 N ATOM 711 CA ASP A 51 14.100 4.201 -1.794 1.00 0.00 C ATOM 712 C ASP A 51 13.737 5.301 -2.787 1.00 0.00 C ATOM 713 O ASP A 51 12.609 5.792 -2.821 1.00 0.00 O ATOM 714 CB ASP A 51 13.737 2.833 -2.374 1.00 0.00 C ATOM 715 CG ASP A 51 14.377 1.691 -1.609 1.00 0.00 C ATOM 716 OD1 ASP A 51 15.554 1.828 -1.213 1.00 0.00 O ATOM 717 OD2 ASP A 51 13.701 0.661 -1.406 1.00 0.00 O ATOM 0 H ASP A 51 12.833 3.629 -0.225 1.00 0.00 H new ATOM 0 HA ASP A 51 15.175 4.238 -1.616 1.00 0.00 H new ATOM 0 HB2 ASP A 51 12.654 2.712 -2.362 1.00 0.00 H new ATOM 0 HB3 ASP A 51 14.051 2.789 -3.417 1.00 0.00 H new ATOM 722 N PRO A 52 14.715 5.699 -3.614 1.00 0.00 N ATOM 723 CA PRO A 52 14.523 6.745 -4.622 1.00 0.00 C ATOM 724 C PRO A 52 13.611 6.295 -5.758 1.00 0.00 C ATOM 725 O PRO A 52 12.964 7.115 -6.409 1.00 0.00 O ATOM 726 CB PRO A 52 15.940 7.001 -5.142 1.00 0.00 C ATOM 727 CG PRO A 52 16.672 5.729 -4.889 1.00 0.00 C ATOM 728 CD PRO A 52 16.085 5.157 -3.629 1.00 0.00 C ATOM 0 HA PRO A 52 14.041 7.629 -4.205 1.00 0.00 H new ATOM 0 HB2 PRO A 52 15.933 7.249 -6.203 1.00 0.00 H new ATOM 0 HB3 PRO A 52 16.408 7.837 -4.622 1.00 0.00 H new ATOM 0 HG2 PRO A 52 16.553 5.038 -5.724 1.00 0.00 H new ATOM 0 HG3 PRO A 52 17.741 5.910 -4.774 1.00 0.00 H new ATOM 0 HD2 PRO A 52 16.086 4.067 -3.644 1.00 0.00 H new ATOM 0 HD3 PRO A 52 16.648 5.464 -2.748 1.00 0.00 H new ATOM 736 N SER A 53 13.566 4.987 -5.991 1.00 0.00 N ATOM 737 CA SER A 53 12.736 4.428 -7.052 1.00 0.00 C ATOM 738 C SER A 53 11.281 4.859 -6.888 1.00 0.00 C ATOM 739 O SER A 53 10.471 4.715 -7.804 1.00 0.00 O ATOM 740 CB SER A 53 12.830 2.901 -7.051 1.00 0.00 C ATOM 741 OG SER A 53 12.160 2.349 -5.931 1.00 0.00 O ATOM 0 H SER A 53 14.094 4.295 -5.460 1.00 0.00 H new ATOM 0 HA SER A 53 13.104 4.807 -8.005 1.00 0.00 H new ATOM 0 HB2 SER A 53 12.395 2.506 -7.969 1.00 0.00 H new ATOM 0 HB3 SER A 53 13.877 2.598 -7.038 1.00 0.00 H new ATOM 0 HG SER A 53 12.233 1.372 -5.955 1.00 0.00 H new ATOM 747 N LEU A 54 10.957 5.389 -5.713 1.00 0.00 N ATOM 748 CA LEU A 54 9.600 5.842 -5.427 1.00 0.00 C ATOM 749 C LEU A 54 9.562 7.354 -5.227 1.00 0.00 C ATOM 750 O LEU A 54 9.546 7.840 -4.096 1.00 0.00 O ATOM 751 CB LEU A 54 9.059 5.138 -4.181 1.00 0.00 C ATOM 752 CG LEU A 54 9.019 3.610 -4.238 1.00 0.00 C ATOM 753 CD1 LEU A 54 8.827 3.029 -2.846 1.00 0.00 C ATOM 754 CD2 LEU A 54 7.914 3.139 -5.172 1.00 0.00 C ATOM 0 H LEU A 54 11.615 5.515 -4.944 1.00 0.00 H new ATOM 0 HA LEU A 54 8.971 5.591 -6.281 1.00 0.00 H new ATOM 0 HB2 LEU A 54 9.669 5.434 -3.327 1.00 0.00 H new ATOM 0 HB3 LEU A 54 8.049 5.501 -3.993 1.00 0.00 H new ATOM 0 HG LEU A 54 9.973 3.255 -4.629 1.00 0.00 H new ATOM 0 HD11 LEU A 54 8.801 1.941 -2.906 1.00 0.00 H new ATOM 0 HD12 LEU A 54 9.654 3.337 -2.206 1.00 0.00 H new ATOM 0 HD13 LEU A 54 7.889 3.392 -2.427 1.00 0.00 H new ATOM 0 HD21 LEU A 54 7.901 2.049 -5.200 1.00 0.00 H new ATOM 0 HD22 LEU A 54 6.952 3.504 -4.811 1.00 0.00 H new ATOM 0 HD23 LEU A 54 8.096 3.525 -6.175 1.00 0.00 H new ATOM 766 N ASP A 55 9.545 8.091 -6.332 1.00 0.00 N ATOM 767 CA ASP A 55 9.505 9.548 -6.279 1.00 0.00 C ATOM 768 C ASP A 55 8.126 10.038 -5.847 1.00 0.00 C ATOM 769 O ASP A 55 7.129 9.332 -6.002 1.00 0.00 O ATOM 770 CB ASP A 55 9.866 10.139 -7.643 1.00 0.00 C ATOM 771 CG ASP A 55 10.353 11.571 -7.542 1.00 0.00 C ATOM 772 OD1 ASP A 55 9.502 12.485 -7.500 1.00 0.00 O ATOM 773 OD2 ASP A 55 11.584 11.779 -7.506 1.00 0.00 O ATOM 0 H ASP A 55 9.558 7.704 -7.275 1.00 0.00 H new ATOM 0 HA ASP A 55 10.236 9.881 -5.542 1.00 0.00 H new ATOM 0 HB2 ASP A 55 10.639 9.527 -8.108 1.00 0.00 H new ATOM 0 HB3 ASP A 55 8.994 10.100 -8.295 1.00 0.00 H new ATOM 778 N ASP A 56 8.078 11.249 -5.305 1.00 0.00 N ATOM 779 CA ASP A 56 6.822 11.834 -4.850 1.00 0.00 C ATOM 780 C ASP A 56 6.888 13.357 -4.884 1.00 0.00 C ATOM 781 O ASP A 56 7.929 13.964 -4.628 1.00 0.00 O ATOM 782 CB ASP A 56 6.495 11.356 -3.434 1.00 0.00 C ATOM 783 CG ASP A 56 7.701 11.395 -2.517 1.00 0.00 C ATOM 784 OD1 ASP A 56 8.579 10.518 -2.655 1.00 0.00 O ATOM 785 OD2 ASP A 56 7.768 12.302 -1.661 1.00 0.00 O ATOM 0 H ASP A 56 8.894 11.845 -5.170 1.00 0.00 H new ATOM 0 HA ASP A 56 6.032 11.508 -5.526 1.00 0.00 H new ATOM 0 HB2 ASP A 56 5.705 11.980 -3.017 1.00 0.00 H new ATOM 0 HB3 ASP A 56 6.108 10.338 -3.478 1.00 0.00 H new ATOM 790 N PRO A 57 5.752 13.993 -5.207 1.00 0.00 N ATOM 791 CA PRO A 57 5.655 15.453 -5.283 1.00 0.00 C ATOM 792 C PRO A 57 5.747 16.112 -3.911 1.00 0.00 C ATOM 793 O PRO A 57 5.926 17.326 -3.805 1.00 0.00 O ATOM 794 CB PRO A 57 4.272 15.686 -5.896 1.00 0.00 C ATOM 795 CG PRO A 57 3.490 14.470 -5.538 1.00 0.00 C ATOM 796 CD PRO A 57 4.474 13.334 -5.525 1.00 0.00 C ATOM 0 HA PRO A 57 6.471 15.886 -5.862 1.00 0.00 H new ATOM 0 HB2 PRO A 57 3.808 16.587 -5.495 1.00 0.00 H new ATOM 0 HB3 PRO A 57 4.334 15.813 -6.977 1.00 0.00 H new ATOM 0 HG2 PRO A 57 3.014 14.585 -4.564 1.00 0.00 H new ATOM 0 HG3 PRO A 57 2.695 14.290 -6.262 1.00 0.00 H new ATOM 0 HD2 PRO A 57 4.212 12.584 -4.779 1.00 0.00 H new ATOM 0 HD3 PRO A 57 4.513 12.825 -6.488 1.00 0.00 H new ATOM 804 N ILE A 58 5.625 15.304 -2.863 1.00 0.00 N ATOM 805 CA ILE A 58 5.696 15.810 -1.497 1.00 0.00 C ATOM 806 C ILE A 58 7.037 16.485 -1.230 1.00 0.00 C ATOM 807 O ILE A 58 8.070 16.066 -1.752 1.00 0.00 O ATOM 808 CB ILE A 58 5.488 14.683 -0.468 1.00 0.00 C ATOM 809 CG1 ILE A 58 4.120 14.027 -0.667 1.00 0.00 C ATOM 810 CG2 ILE A 58 5.620 15.226 0.947 1.00 0.00 C ATOM 811 CD1 ILE A 58 3.998 12.671 -0.008 1.00 0.00 C ATOM 0 H ILE A 58 5.477 14.297 -2.933 1.00 0.00 H new ATOM 0 HA ILE A 58 4.895 16.542 -1.389 1.00 0.00 H new ATOM 0 HB ILE A 58 6.258 13.927 -0.619 1.00 0.00 H new ATOM 0 HG12 ILE A 58 3.349 14.686 -0.269 1.00 0.00 H new ATOM 0 HG13 ILE A 58 3.929 13.921 -1.735 1.00 0.00 H new ATOM 0 HG21 ILE A 58 5.470 14.417 1.662 1.00 0.00 H new ATOM 0 HG22 ILE A 58 6.615 15.651 1.082 1.00 0.00 H new ATOM 0 HG23 ILE A 58 4.870 15.999 1.111 1.00 0.00 H new ATOM 0 HD11 ILE A 58 3.003 12.266 -0.190 1.00 0.00 H new ATOM 0 HD12 ILE A 58 4.746 11.996 -0.423 1.00 0.00 H new ATOM 0 HD13 ILE A 58 4.157 12.773 1.066 1.00 0.00 H new ATOM 823 N SER A 59 7.013 17.533 -0.412 1.00 0.00 N ATOM 824 CA SER A 59 8.227 18.268 -0.077 1.00 0.00 C ATOM 825 C SER A 59 9.058 17.506 0.951 1.00 0.00 C ATOM 826 O SER A 59 10.237 17.231 0.733 1.00 0.00 O ATOM 827 CB SER A 59 7.875 19.656 0.463 1.00 0.00 C ATOM 828 OG SER A 59 8.995 20.258 1.089 1.00 0.00 O ATOM 0 H SER A 59 6.167 17.892 0.030 1.00 0.00 H new ATOM 0 HA SER A 59 8.818 18.378 -0.986 1.00 0.00 H new ATOM 0 HB2 SER A 59 7.526 20.289 -0.353 1.00 0.00 H new ATOM 0 HB3 SER A 59 7.055 19.575 1.177 1.00 0.00 H new ATOM 0 HG SER A 59 8.745 21.144 1.424 1.00 0.00 H new ATOM 834 N GLY A 60 8.432 17.166 2.074 1.00 0.00 N ATOM 835 CA GLY A 60 9.127 16.439 3.120 1.00 0.00 C ATOM 836 C GLY A 60 9.585 17.342 4.248 1.00 0.00 C ATOM 837 O GLY A 60 10.733 17.786 4.290 1.00 0.00 O ATOM 0 H GLY A 60 7.456 17.381 2.278 1.00 0.00 H new ATOM 0 HA2 GLY A 60 8.469 15.668 3.521 1.00 0.00 H new ATOM 0 HA3 GLY A 60 9.991 15.931 2.692 1.00 0.00 H new ATOM 841 N PRO A 61 8.673 17.628 5.190 1.00 0.00 N ATOM 842 CA PRO A 61 8.967 18.488 6.340 1.00 0.00 C ATOM 843 C PRO A 61 9.923 17.829 7.328 1.00 0.00 C ATOM 844 O PRO A 61 10.237 18.395 8.375 1.00 0.00 O ATOM 845 CB PRO A 61 7.594 18.698 6.985 1.00 0.00 C ATOM 846 CG PRO A 61 6.797 17.508 6.575 1.00 0.00 C ATOM 847 CD PRO A 61 7.287 17.134 5.204 1.00 0.00 C ATOM 0 HA PRO A 61 9.460 19.413 6.041 1.00 0.00 H new ATOM 0 HB2 PRO A 61 7.673 18.767 8.070 1.00 0.00 H new ATOM 0 HB3 PRO A 61 7.131 19.623 6.639 1.00 0.00 H new ATOM 0 HG2 PRO A 61 6.935 16.685 7.277 1.00 0.00 H new ATOM 0 HG3 PRO A 61 5.732 17.738 6.559 1.00 0.00 H new ATOM 0 HD2 PRO A 61 7.243 16.057 5.042 1.00 0.00 H new ATOM 0 HD3 PRO A 61 6.687 17.599 4.422 1.00 0.00 H new ATOM 855 N SER A 62 10.384 16.629 6.988 1.00 0.00 N ATOM 856 CA SER A 62 11.303 15.891 7.846 1.00 0.00 C ATOM 857 C SER A 62 12.732 15.987 7.322 1.00 0.00 C ATOM 858 O SER A 62 13.034 15.524 6.223 1.00 0.00 O ATOM 859 CB SER A 62 10.879 14.424 7.940 1.00 0.00 C ATOM 860 OG SER A 62 11.785 13.682 8.739 1.00 0.00 O ATOM 0 H SER A 62 10.136 16.147 6.124 1.00 0.00 H new ATOM 0 HA SER A 62 11.269 16.336 8.840 1.00 0.00 H new ATOM 0 HB2 SER A 62 9.877 14.358 8.364 1.00 0.00 H new ATOM 0 HB3 SER A 62 10.831 13.991 6.941 1.00 0.00 H new ATOM 0 HG SER A 62 11.492 12.748 8.785 1.00 0.00 H new ATOM 866 N SER A 63 13.608 16.593 8.118 1.00 0.00 N ATOM 867 CA SER A 63 15.005 16.754 7.733 1.00 0.00 C ATOM 868 C SER A 63 15.495 15.544 6.943 1.00 0.00 C ATOM 869 O SER A 63 15.164 14.404 7.265 1.00 0.00 O ATOM 870 CB SER A 63 15.878 16.954 8.974 1.00 0.00 C ATOM 871 OG SER A 63 17.248 17.042 8.625 1.00 0.00 O ATOM 0 H SER A 63 13.375 16.980 9.032 1.00 0.00 H new ATOM 0 HA SER A 63 15.081 17.636 7.097 1.00 0.00 H new ATOM 0 HB2 SER A 63 15.573 17.862 9.494 1.00 0.00 H new ATOM 0 HB3 SER A 63 15.728 16.125 9.665 1.00 0.00 H new ATOM 0 HG SER A 63 17.784 17.171 9.435 1.00 0.00 H new ATOM 877 N GLY A 64 16.285 15.803 5.906 1.00 0.00 N ATOM 878 CA GLY A 64 16.808 14.726 5.085 1.00 0.00 C ATOM 879 C GLY A 64 17.951 15.177 4.197 1.00 0.00 C ATOM 880 O GLY A 64 19.070 14.679 4.314 1.00 0.00 O ATOM 0 H GLY A 64 16.572 16.739 5.619 1.00 0.00 H new ATOM 0 HA2 GLY A 64 17.150 13.916 5.729 1.00 0.00 H new ATOM 0 HA3 GLY A 64 16.007 14.324 4.465 1.00 0.00 H new TER 884 GLY A 64