USER MOD reduce.3.24.130724 H: found=0, std=0, add=398, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 395 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 40 CYS SG : rot -55:sc= -6.82! USER MOD Set 1.2: A 50 MET CE :methyl -130:sc= -4.47! (180deg=-2.7!) USER MOD Single : A 1 GLY N :NH3+ 141:sc= 0.0122 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc=-0.000131 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 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= -0.0644 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 23 THR OG1 : rot 14:sc= -0.245 USER MOD Single : A 24 THR OG1 : rot 92:sc= 0.0896 USER MOD Single : A 26 THR OG1 : rot -69:sc= 0.592 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 HIS : no HD1:sc= -0.0594 X(o=-0.059,f=0) USER MOD Single : A 36 MET CE :methyl 167:sc= -1.67 (180deg=-2.7) USER MOD Single : A 41 ASN : amide:sc= -0.0428 K(o=-0.043,f=-1) USER MOD Single : A 42 ASN : amide:sc= -0.14 K(o=-0.14,f=-1.3) USER MOD Single : A 43 ASN : amide:sc= -4.05! C(o=-4.1!,f=-19!) USER MOD Single : A 46 MET CE :methyl -127:sc=-0.00246 (180deg=-0.137) USER MOD Single : A 49 THR OG1 : rot 89:sc= 0.0793 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc=-0.00728 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -20.339 -11.190 -21.500 1.00 0.00 N ATOM 2 CA GLY A 1 -19.860 -11.800 -20.271 1.00 0.00 C ATOM 3 C GLY A 1 -20.046 -10.856 -19.082 1.00 0.00 C ATOM 4 O GLY A 1 -19.807 -9.655 -19.194 1.00 0.00 O ATOM 0 H1 GLY A 1 -19.697 -11.433 -22.281 1.00 0.00 H new ATOM 0 H2 GLY A 1 -21.294 -11.543 -21.713 1.00 0.00 H new ATOM 0 H3 GLY A 1 -20.369 -10.157 -21.386 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -20.398 -12.730 -20.089 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -18.806 -12.056 -20.375 1.00 0.00 H new ATOM 8 N SER A 2 -20.473 -11.435 -17.969 1.00 0.00 N ATOM 9 CA SER A 2 -20.694 -10.660 -16.760 1.00 0.00 C ATOM 10 C SER A 2 -19.404 -10.589 -15.940 1.00 0.00 C ATOM 11 O SER A 2 -18.497 -11.397 -16.132 1.00 0.00 O ATOM 12 CB SER A 2 -21.823 -11.261 -15.920 1.00 0.00 C ATOM 13 OG SER A 2 -23.059 -10.579 -16.121 1.00 0.00 O ATOM 0 H SER A 2 -20.672 -12.431 -17.879 1.00 0.00 H new ATOM 0 HA SER A 2 -20.989 -9.651 -17.050 1.00 0.00 H new ATOM 0 HB2 SER A 2 -21.944 -12.314 -16.175 1.00 0.00 H new ATOM 0 HB3 SER A 2 -21.552 -11.218 -14.865 1.00 0.00 H new ATOM 0 HG SER A 2 -23.755 -10.993 -15.569 1.00 0.00 H new ATOM 19 N SER A 3 -19.363 -9.613 -15.044 1.00 0.00 N ATOM 20 CA SER A 3 -18.199 -9.426 -14.195 1.00 0.00 C ATOM 21 C SER A 3 -18.559 -8.536 -13.003 1.00 0.00 C ATOM 22 O SER A 3 -18.415 -8.946 -11.853 1.00 0.00 O ATOM 23 CB SER A 3 -17.037 -8.816 -14.981 1.00 0.00 C ATOM 24 OG SER A 3 -17.445 -7.687 -15.749 1.00 0.00 O ATOM 0 H SER A 3 -20.117 -8.944 -14.888 1.00 0.00 H new ATOM 0 HA SER A 3 -17.882 -10.402 -13.829 1.00 0.00 H new ATOM 0 HB2 SER A 3 -16.249 -8.518 -14.290 1.00 0.00 H new ATOM 0 HB3 SER A 3 -16.612 -9.570 -15.643 1.00 0.00 H new ATOM 0 HG SER A 3 -16.674 -7.326 -16.234 1.00 0.00 H new ATOM 30 N GLY A 4 -19.020 -7.335 -13.320 1.00 0.00 N ATOM 31 CA GLY A 4 -19.401 -6.385 -12.289 1.00 0.00 C ATOM 32 C GLY A 4 -18.607 -5.084 -12.422 1.00 0.00 C ATOM 33 O GLY A 4 -17.931 -4.865 -13.427 1.00 0.00 O ATOM 0 H GLY A 4 -19.138 -6.998 -14.276 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -20.468 -6.173 -12.361 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -19.228 -6.822 -11.305 1.00 0.00 H new ATOM 37 N SER A 5 -18.714 -4.255 -11.394 1.00 0.00 N ATOM 38 CA SER A 5 -18.014 -2.982 -11.384 1.00 0.00 C ATOM 39 C SER A 5 -17.289 -2.794 -10.049 1.00 0.00 C ATOM 40 O SER A 5 -17.669 -3.391 -9.043 1.00 0.00 O ATOM 41 CB SER A 5 -18.979 -1.820 -11.631 1.00 0.00 C ATOM 42 OG SER A 5 -18.290 -0.605 -11.912 1.00 0.00 O ATOM 0 H SER A 5 -19.275 -4.440 -10.562 1.00 0.00 H new ATOM 0 HA SER A 5 -17.282 -2.989 -12.191 1.00 0.00 H new ATOM 0 HB2 SER A 5 -19.636 -2.065 -12.465 1.00 0.00 H new ATOM 0 HB3 SER A 5 -19.613 -1.683 -10.755 1.00 0.00 H new ATOM 0 HG SER A 5 -18.940 0.112 -12.065 1.00 0.00 H new ATOM 48 N SER A 6 -16.258 -1.963 -10.084 1.00 0.00 N ATOM 49 CA SER A 6 -15.477 -1.690 -8.890 1.00 0.00 C ATOM 50 C SER A 6 -16.081 -0.509 -8.128 1.00 0.00 C ATOM 51 O SER A 6 -16.890 0.239 -8.675 1.00 0.00 O ATOM 52 CB SER A 6 -14.016 -1.402 -9.241 1.00 0.00 C ATOM 53 OG SER A 6 -13.277 -2.599 -9.473 1.00 0.00 O ATOM 0 H SER A 6 -15.945 -1.470 -10.920 1.00 0.00 H new ATOM 0 HA SER A 6 -15.503 -2.576 -8.255 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.974 -0.772 -10.129 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.552 -0.841 -8.430 1.00 0.00 H new ATOM 0 HG SER A 6 -12.350 -2.373 -9.696 1.00 0.00 H new ATOM 59 N GLY A 7 -15.666 -0.378 -6.877 1.00 0.00 N ATOM 60 CA GLY A 7 -16.156 0.700 -6.034 1.00 0.00 C ATOM 61 C GLY A 7 -15.171 1.870 -6.011 1.00 0.00 C ATOM 62 O GLY A 7 -14.629 2.250 -7.048 1.00 0.00 O ATOM 0 H GLY A 7 -14.996 -1.001 -6.426 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -17.124 1.042 -6.401 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -16.312 0.331 -5.020 1.00 0.00 H new ATOM 66 N GLY A 8 -14.970 2.410 -4.818 1.00 0.00 N ATOM 67 CA GLY A 8 -14.060 3.529 -4.647 1.00 0.00 C ATOM 68 C GLY A 8 -14.761 4.707 -3.968 1.00 0.00 C ATOM 69 O GLY A 8 -15.138 5.675 -4.628 1.00 0.00 O ATOM 0 H GLY A 8 -15.422 2.093 -3.960 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -13.203 3.218 -4.049 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -13.675 3.841 -5.618 1.00 0.00 H new ATOM 73 N SER A 9 -14.915 4.587 -2.657 1.00 0.00 N ATOM 74 CA SER A 9 -15.565 5.630 -1.881 1.00 0.00 C ATOM 75 C SER A 9 -14.874 5.779 -0.524 1.00 0.00 C ATOM 76 O SER A 9 -14.389 4.800 0.040 1.00 0.00 O ATOM 77 CB SER A 9 -17.053 5.328 -1.690 1.00 0.00 C ATOM 78 OG SER A 9 -17.283 4.457 -0.585 1.00 0.00 O ATOM 0 H SER A 9 -14.601 3.784 -2.113 1.00 0.00 H new ATOM 0 HA SER A 9 -15.481 6.568 -2.429 1.00 0.00 H new ATOM 0 HB2 SER A 9 -17.595 6.261 -1.536 1.00 0.00 H new ATOM 0 HB3 SER A 9 -17.451 4.875 -2.598 1.00 0.00 H new ATOM 0 HG SER A 9 -18.244 4.290 -0.495 1.00 0.00 H new ATOM 84 N ALA A 10 -14.852 7.012 -0.040 1.00 0.00 N ATOM 85 CA ALA A 10 -14.230 7.302 1.241 1.00 0.00 C ATOM 86 C ALA A 10 -12.742 6.950 1.170 1.00 0.00 C ATOM 87 O ALA A 10 -12.297 6.304 0.223 1.00 0.00 O ATOM 88 CB ALA A 10 -14.958 6.537 2.348 1.00 0.00 C ATOM 0 H ALA A 10 -15.255 7.822 -0.512 1.00 0.00 H new ATOM 0 HA ALA A 10 -14.308 8.364 1.474 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -14.491 6.755 3.309 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -16.004 6.844 2.375 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -14.899 5.467 2.150 1.00 0.00 H new ATOM 94 N ALA A 11 -12.014 7.391 2.186 1.00 0.00 N ATOM 95 CA ALA A 11 -10.586 7.131 2.251 1.00 0.00 C ATOM 96 C ALA A 11 -10.261 6.421 3.567 1.00 0.00 C ATOM 97 O ALA A 11 -9.615 6.995 4.443 1.00 0.00 O ATOM 98 CB ALA A 11 -9.820 8.446 2.093 1.00 0.00 C ATOM 0 H ALA A 11 -12.386 7.926 2.970 1.00 0.00 H new ATOM 0 HA ALA A 11 -10.278 6.475 1.437 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -8.749 8.251 2.142 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -10.064 8.896 1.130 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -10.101 9.129 2.894 1.00 0.00 H new ATOM 104 N SER A 12 -10.723 5.183 3.665 1.00 0.00 N ATOM 105 CA SER A 12 -10.489 4.390 4.859 1.00 0.00 C ATOM 106 C SER A 12 -10.589 2.900 4.525 1.00 0.00 C ATOM 107 O SER A 12 -9.642 2.146 4.743 1.00 0.00 O ATOM 108 CB SER A 12 -11.481 4.753 5.965 1.00 0.00 C ATOM 109 OG SER A 12 -10.869 4.755 7.252 1.00 0.00 O ATOM 0 H SER A 12 -11.258 4.710 2.937 1.00 0.00 H new ATOM 0 HA SER A 12 -9.485 4.608 5.223 1.00 0.00 H new ATOM 0 HB2 SER A 12 -11.904 5.737 5.763 1.00 0.00 H new ATOM 0 HB3 SER A 12 -12.308 4.043 5.958 1.00 0.00 H new ATOM 0 HG SER A 12 -11.535 4.993 7.930 1.00 0.00 H new ATOM 115 N SER A 13 -11.746 2.520 4.002 1.00 0.00 N ATOM 116 CA SER A 13 -11.982 1.134 3.635 1.00 0.00 C ATOM 117 C SER A 13 -11.309 0.824 2.297 1.00 0.00 C ATOM 118 O SER A 13 -10.479 -0.080 2.210 1.00 0.00 O ATOM 119 CB SER A 13 -13.480 0.832 3.558 1.00 0.00 C ATOM 120 OG SER A 13 -14.163 1.738 2.696 1.00 0.00 O ATOM 0 H SER A 13 -12.530 3.148 3.824 1.00 0.00 H new ATOM 0 HA SER A 13 -11.550 0.498 4.407 1.00 0.00 H new ATOM 0 HB2 SER A 13 -13.627 -0.188 3.202 1.00 0.00 H new ATOM 0 HB3 SER A 13 -13.913 0.886 4.557 1.00 0.00 H new ATOM 0 HG SER A 13 -15.116 1.511 2.672 1.00 0.00 H new ATOM 126 N ALA A 14 -11.692 1.591 1.287 1.00 0.00 N ATOM 127 CA ALA A 14 -11.135 1.410 -0.043 1.00 0.00 C ATOM 128 C ALA A 14 -9.608 1.442 0.039 1.00 0.00 C ATOM 129 O ALA A 14 -8.943 0.473 -0.324 1.00 0.00 O ATOM 130 CB ALA A 14 -11.691 2.484 -0.980 1.00 0.00 C ATOM 0 H ALA A 14 -12.381 2.339 1.363 1.00 0.00 H new ATOM 0 HA ALA A 14 -11.423 0.441 -0.451 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -11.273 2.348 -1.978 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -12.777 2.399 -1.027 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -11.420 3.471 -0.604 1.00 0.00 H new ATOM 136 N LEU A 15 -9.096 2.566 0.518 1.00 0.00 N ATOM 137 CA LEU A 15 -7.659 2.737 0.652 1.00 0.00 C ATOM 138 C LEU A 15 -7.051 1.462 1.239 1.00 0.00 C ATOM 139 O LEU A 15 -6.181 0.846 0.627 1.00 0.00 O ATOM 140 CB LEU A 15 -7.343 3.998 1.459 1.00 0.00 C ATOM 141 CG LEU A 15 -5.884 4.459 1.438 1.00 0.00 C ATOM 142 CD1 LEU A 15 -5.188 4.018 0.149 1.00 0.00 C ATOM 143 CD2 LEU A 15 -5.784 5.970 1.656 1.00 0.00 C ATOM 0 H LEU A 15 -9.651 3.368 0.818 1.00 0.00 H new ATOM 0 HA LEU A 15 -7.200 2.889 -0.325 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.966 4.811 1.085 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -7.634 3.825 2.495 1.00 0.00 H new ATOM 0 HG LEU A 15 -5.362 3.979 2.266 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.153 4.358 0.160 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -5.212 2.931 0.076 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -5.703 4.450 -0.709 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -4.737 6.272 1.637 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -6.326 6.488 0.865 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -6.218 6.228 2.622 1.00 0.00 H new ATOM 155 N LYS A 16 -7.534 1.104 2.420 1.00 0.00 N ATOM 156 CA LYS A 16 -7.049 -0.087 3.097 1.00 0.00 C ATOM 157 C LYS A 16 -7.051 -1.262 2.118 1.00 0.00 C ATOM 158 O LYS A 16 -6.014 -1.880 1.881 1.00 0.00 O ATOM 159 CB LYS A 16 -7.857 -0.346 4.370 1.00 0.00 C ATOM 160 CG LYS A 16 -7.204 -1.437 5.222 1.00 0.00 C ATOM 161 CD LYS A 16 -7.647 -1.331 6.682 1.00 0.00 C ATOM 162 CE LYS A 16 -8.461 -2.558 7.098 1.00 0.00 C ATOM 163 NZ LYS A 16 -7.571 -3.717 7.329 1.00 0.00 N ATOM 0 H LYS A 16 -8.256 1.618 2.925 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.019 0.054 3.424 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -7.935 0.574 4.949 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -8.872 -0.644 4.107 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -7.469 -2.418 4.828 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -6.119 -1.351 5.160 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -6.772 -1.235 7.325 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -8.244 -0.430 6.820 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -9.024 -2.338 8.005 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -9.188 -2.799 6.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -8.140 -4.541 7.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -7.053 -3.937 6.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -6.894 -3.489 8.085 1.00 0.00 H new ATOM 177 N GLY A 17 -8.228 -1.535 1.574 1.00 0.00 N ATOM 178 CA GLY A 17 -8.379 -2.625 0.625 1.00 0.00 C ATOM 179 C GLY A 17 -7.187 -2.688 -0.332 1.00 0.00 C ATOM 180 O GLY A 17 -6.573 -3.742 -0.497 1.00 0.00 O ATOM 0 H GLY A 17 -9.086 -1.020 1.772 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -8.469 -3.569 1.162 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -9.300 -2.492 0.057 1.00 0.00 H new ATOM 184 N LEU A 18 -6.894 -1.547 -0.938 1.00 0.00 N ATOM 185 CA LEU A 18 -5.786 -1.459 -1.874 1.00 0.00 C ATOM 186 C LEU A 18 -4.480 -1.782 -1.144 1.00 0.00 C ATOM 187 O LEU A 18 -3.725 -2.653 -1.572 1.00 0.00 O ATOM 188 CB LEU A 18 -5.780 -0.097 -2.571 1.00 0.00 C ATOM 189 CG LEU A 18 -6.596 -0.001 -3.862 1.00 0.00 C ATOM 190 CD1 LEU A 18 -6.765 1.456 -4.297 1.00 0.00 C ATOM 191 CD2 LEU A 18 -5.976 -0.860 -4.967 1.00 0.00 C ATOM 0 H LEU A 18 -7.405 -0.675 -0.799 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.899 -2.197 -2.668 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -6.156 0.649 -1.871 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.747 0.169 -2.797 1.00 0.00 H new ATOM 0 HG LEU A 18 -7.593 -0.396 -3.666 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -7.348 1.496 -5.217 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -7.282 2.012 -3.515 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -5.785 1.900 -4.470 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.575 -0.774 -5.874 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.961 -0.517 -5.168 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.950 -1.902 -4.647 1.00 0.00 H new ATOM 203 N ILE A 19 -4.255 -1.062 -0.055 1.00 0.00 N ATOM 204 CA ILE A 19 -3.054 -1.261 0.739 1.00 0.00 C ATOM 205 C ILE A 19 -2.750 -2.757 0.828 1.00 0.00 C ATOM 206 O ILE A 19 -1.661 -3.196 0.459 1.00 0.00 O ATOM 207 CB ILE A 19 -3.193 -0.579 2.101 1.00 0.00 C ATOM 208 CG1 ILE A 19 -2.996 0.934 1.980 1.00 0.00 C ATOM 209 CG2 ILE A 19 -2.241 -1.200 3.125 1.00 0.00 C ATOM 210 CD1 ILE A 19 -3.890 1.684 2.970 1.00 0.00 C ATOM 0 H ILE A 19 -4.884 -0.340 0.296 1.00 0.00 H new ATOM 0 HA ILE A 19 -2.197 -0.789 0.259 1.00 0.00 H new ATOM 0 HB ILE A 19 -4.208 -0.744 2.463 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.952 1.184 2.166 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -3.225 1.254 0.963 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -2.360 -0.697 4.085 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.471 -2.259 3.240 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -1.213 -1.087 2.781 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.731 2.757 2.863 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -4.935 1.450 2.766 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -3.642 1.380 3.987 1.00 0.00 H new ATOM 222 N GLN A 20 -3.730 -3.500 1.321 1.00 0.00 N ATOM 223 CA GLN A 20 -3.580 -4.938 1.463 1.00 0.00 C ATOM 224 C GLN A 20 -2.981 -5.539 0.190 1.00 0.00 C ATOM 225 O GLN A 20 -2.036 -6.323 0.254 1.00 0.00 O ATOM 226 CB GLN A 20 -4.918 -5.598 1.804 1.00 0.00 C ATOM 227 CG GLN A 20 -5.184 -5.553 3.310 1.00 0.00 C ATOM 228 CD GLN A 20 -5.041 -6.943 3.933 1.00 0.00 C ATOM 229 OE1 GLN A 20 -6.009 -7.589 4.300 1.00 0.00 O ATOM 230 NE2 GLN A 20 -3.784 -7.365 4.031 1.00 0.00 N ATOM 0 H GLN A 20 -4.631 -3.133 1.627 1.00 0.00 H new ATOM 0 HA GLN A 20 -2.895 -5.132 2.289 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -5.724 -5.090 1.274 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -4.914 -6.633 1.463 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -4.486 -4.864 3.786 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -6.187 -5.169 3.495 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -3.020 -6.773 3.704 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -3.583 -8.281 4.433 1.00 0.00 H new ATOM 239 N GLN A 21 -3.556 -5.147 -0.938 1.00 0.00 N ATOM 240 CA GLN A 21 -3.091 -5.637 -2.224 1.00 0.00 C ATOM 241 C GLN A 21 -1.597 -5.354 -2.391 1.00 0.00 C ATOM 242 O GLN A 21 -0.849 -6.208 -2.863 1.00 0.00 O ATOM 243 CB GLN A 21 -3.897 -5.021 -3.370 1.00 0.00 C ATOM 244 CG GLN A 21 -5.400 -5.151 -3.114 1.00 0.00 C ATOM 245 CD GLN A 21 -6.048 -6.099 -4.126 1.00 0.00 C ATOM 246 OE1 GLN A 21 -5.584 -7.201 -4.369 1.00 0.00 O ATOM 247 NE2 GLN A 21 -7.143 -5.610 -4.701 1.00 0.00 N ATOM 0 H GLN A 21 -4.340 -4.496 -0.988 1.00 0.00 H new ATOM 0 HA GLN A 21 -3.243 -6.716 -2.256 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -3.633 -3.969 -3.481 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -3.640 -5.515 -4.307 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -5.570 -5.521 -2.103 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -5.870 -4.169 -3.177 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -7.478 -4.679 -4.452 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -7.648 -6.166 -5.391 1.00 0.00 H new ATOM 256 N PHE A 22 -1.207 -4.151 -1.994 1.00 0.00 N ATOM 257 CA PHE A 22 0.184 -3.745 -2.094 1.00 0.00 C ATOM 258 C PHE A 22 1.057 -4.534 -1.116 1.00 0.00 C ATOM 259 O PHE A 22 2.036 -5.161 -1.519 1.00 0.00 O ATOM 260 CB PHE A 22 0.244 -2.261 -1.729 1.00 0.00 C ATOM 261 CG PHE A 22 1.641 -1.647 -1.845 1.00 0.00 C ATOM 262 CD1 PHE A 22 2.051 -1.108 -3.024 1.00 0.00 C ATOM 263 CD2 PHE A 22 2.473 -1.641 -0.769 1.00 0.00 C ATOM 264 CE1 PHE A 22 3.347 -0.538 -3.132 1.00 0.00 C ATOM 265 CE2 PHE A 22 3.769 -1.071 -0.877 1.00 0.00 C ATOM 266 CZ PHE A 22 4.179 -0.532 -2.056 1.00 0.00 C ATOM 0 H PHE A 22 -1.830 -3.445 -1.603 1.00 0.00 H new ATOM 0 HA PHE A 22 0.554 -3.931 -3.102 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -0.438 -1.710 -2.376 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -0.114 -2.134 -0.707 1.00 0.00 H new ATOM 0 HD1 PHE A 22 1.391 -1.113 -3.879 1.00 0.00 H new ATOM 0 HD2 PHE A 22 2.148 -2.070 0.167 1.00 0.00 H new ATOM 0 HE1 PHE A 22 3.672 -0.109 -4.068 1.00 0.00 H new ATOM 0 HE2 PHE A 22 4.429 -1.066 -0.022 1.00 0.00 H new ATOM 0 HZ PHE A 22 5.165 -0.099 -2.138 1.00 0.00 H new ATOM 276 N THR A 23 0.672 -4.478 0.150 1.00 0.00 N ATOM 277 CA THR A 23 1.407 -5.179 1.188 1.00 0.00 C ATOM 278 C THR A 23 1.578 -6.654 0.817 1.00 0.00 C ATOM 279 O THR A 23 2.487 -7.320 1.309 1.00 0.00 O ATOM 280 CB THR A 23 0.672 -4.967 2.514 1.00 0.00 C ATOM 281 OG1 THR A 23 -0.676 -5.329 2.225 1.00 0.00 O ATOM 282 CG2 THR A 23 0.586 -3.491 2.906 1.00 0.00 C ATOM 0 H THR A 23 -0.140 -3.957 0.481 1.00 0.00 H new ATOM 0 HA THR A 23 2.417 -4.783 1.293 1.00 0.00 H new ATOM 0 HB THR A 23 1.179 -5.523 3.303 1.00 0.00 H new ATOM 0 HG1 THR A 23 -0.710 -5.810 1.372 1.00 0.00 H new ATOM 0 HG21 THR A 23 0.055 -3.396 3.853 1.00 0.00 H new ATOM 0 HG22 THR A 23 1.591 -3.083 3.011 1.00 0.00 H new ATOM 0 HG23 THR A 23 0.050 -2.940 2.133 1.00 0.00 H new ATOM 290 N THR A 24 0.689 -7.120 -0.047 1.00 0.00 N ATOM 291 CA THR A 24 0.730 -8.503 -0.490 1.00 0.00 C ATOM 292 C THR A 24 1.558 -8.629 -1.770 1.00 0.00 C ATOM 293 O THR A 24 2.473 -9.448 -1.844 1.00 0.00 O ATOM 294 CB THR A 24 -0.711 -8.992 -0.648 1.00 0.00 C ATOM 295 OG1 THR A 24 -1.158 -9.194 0.690 1.00 0.00 O ATOM 296 CG2 THR A 24 -0.792 -10.383 -1.281 1.00 0.00 C ATOM 0 H THR A 24 -0.064 -6.564 -0.452 1.00 0.00 H new ATOM 0 HA THR A 24 1.226 -9.139 0.244 1.00 0.00 H new ATOM 0 HB THR A 24 -1.270 -8.282 -1.258 1.00 0.00 H new ATOM 0 HG1 THR A 24 -1.583 -8.375 1.020 1.00 0.00 H new ATOM 0 HG21 THR A 24 -1.836 -10.682 -1.370 1.00 0.00 H new ATOM 0 HG22 THR A 24 -0.336 -10.360 -2.271 1.00 0.00 H new ATOM 0 HG23 THR A 24 -0.262 -11.100 -0.654 1.00 0.00 H new ATOM 304 N ILE A 25 1.207 -7.805 -2.747 1.00 0.00 N ATOM 305 CA ILE A 25 1.907 -7.814 -4.021 1.00 0.00 C ATOM 306 C ILE A 25 3.388 -7.509 -3.787 1.00 0.00 C ATOM 307 O ILE A 25 4.251 -8.327 -4.102 1.00 0.00 O ATOM 308 CB ILE A 25 1.231 -6.862 -5.009 1.00 0.00 C ATOM 309 CG1 ILE A 25 -0.135 -7.398 -5.441 1.00 0.00 C ATOM 310 CG2 ILE A 25 2.141 -6.579 -6.207 1.00 0.00 C ATOM 311 CD1 ILE A 25 -1.122 -6.254 -5.682 1.00 0.00 C ATOM 0 H ILE A 25 0.448 -7.127 -2.682 1.00 0.00 H new ATOM 0 HA ILE A 25 1.854 -8.802 -4.478 1.00 0.00 H new ATOM 0 HB ILE A 25 1.058 -5.912 -4.504 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -0.027 -7.988 -6.351 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -0.527 -8.066 -4.674 1.00 0.00 H new ATOM 0 HG21 ILE A 25 1.637 -5.900 -6.894 1.00 0.00 H new ATOM 0 HG22 ILE A 25 3.068 -6.122 -5.860 1.00 0.00 H new ATOM 0 HG23 ILE A 25 2.367 -7.513 -6.721 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.085 -6.663 -5.988 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -1.246 -5.681 -4.763 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -0.739 -5.602 -6.467 1.00 0.00 H new ATOM 323 N THR A 26 3.636 -6.330 -3.236 1.00 0.00 N ATOM 324 CA THR A 26 4.998 -5.907 -2.956 1.00 0.00 C ATOM 325 C THR A 26 5.578 -6.713 -1.793 1.00 0.00 C ATOM 326 O THR A 26 6.615 -7.360 -1.937 1.00 0.00 O ATOM 327 CB THR A 26 4.982 -4.399 -2.702 1.00 0.00 C ATOM 328 OG1 THR A 26 4.411 -4.272 -1.402 1.00 0.00 O ATOM 329 CG2 THR A 26 3.999 -3.662 -3.614 1.00 0.00 C ATOM 0 H THR A 26 2.917 -5.654 -2.976 1.00 0.00 H new ATOM 0 HA THR A 26 5.655 -6.101 -3.804 1.00 0.00 H new ATOM 0 HB THR A 26 5.984 -3.996 -2.847 1.00 0.00 H new ATOM 0 HG1 THR A 26 3.463 -4.517 -1.436 1.00 0.00 H new ATOM 0 HG21 THR A 26 4.027 -2.595 -3.392 1.00 0.00 H new ATOM 0 HG22 THR A 26 4.277 -3.824 -4.655 1.00 0.00 H new ATOM 0 HG23 THR A 26 2.991 -4.041 -3.445 1.00 0.00 H new ATOM 337 N GLY A 27 4.885 -6.649 -0.666 1.00 0.00 N ATOM 338 CA GLY A 27 5.318 -7.365 0.522 1.00 0.00 C ATOM 339 C GLY A 27 5.704 -6.392 1.638 1.00 0.00 C ATOM 340 O GLY A 27 6.386 -6.772 2.589 1.00 0.00 O ATOM 0 H GLY A 27 4.026 -6.112 -0.550 1.00 0.00 H new ATOM 0 HA2 GLY A 27 4.519 -8.021 0.867 1.00 0.00 H new ATOM 0 HA3 GLY A 27 6.169 -8.000 0.278 1.00 0.00 H new ATOM 344 N ALA A 28 5.251 -5.157 1.486 1.00 0.00 N ATOM 345 CA ALA A 28 5.541 -4.127 2.469 1.00 0.00 C ATOM 346 C ALA A 28 4.441 -4.120 3.533 1.00 0.00 C ATOM 347 O ALA A 28 3.542 -4.959 3.506 1.00 0.00 O ATOM 348 CB ALA A 28 5.680 -2.774 1.766 1.00 0.00 C ATOM 0 H ALA A 28 4.685 -4.846 0.697 1.00 0.00 H new ATOM 0 HA ALA A 28 6.486 -4.332 2.972 1.00 0.00 H new ATOM 0 HB1 ALA A 28 5.898 -2.001 2.504 1.00 0.00 H new ATOM 0 HB2 ALA A 28 6.492 -2.822 1.041 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.749 -2.533 1.252 1.00 0.00 H new ATOM 354 N SER A 29 4.550 -3.165 4.445 1.00 0.00 N ATOM 355 CA SER A 29 3.577 -3.039 5.516 1.00 0.00 C ATOM 356 C SER A 29 2.453 -2.090 5.093 1.00 0.00 C ATOM 357 O SER A 29 2.565 -1.403 4.079 1.00 0.00 O ATOM 358 CB SER A 29 4.236 -2.539 6.803 1.00 0.00 C ATOM 359 OG SER A 29 5.315 -3.376 7.210 1.00 0.00 O ATOM 0 H SER A 29 5.298 -2.471 4.464 1.00 0.00 H new ATOM 0 HA SER A 29 3.157 -4.025 5.714 1.00 0.00 H new ATOM 0 HB2 SER A 29 4.602 -1.523 6.652 1.00 0.00 H new ATOM 0 HB3 SER A 29 3.492 -2.495 7.598 1.00 0.00 H new ATOM 0 HG SER A 29 5.710 -3.022 8.034 1.00 0.00 H new ATOM 365 N GLU A 30 1.395 -2.084 5.891 1.00 0.00 N ATOM 366 CA GLU A 30 0.252 -1.231 5.611 1.00 0.00 C ATOM 367 C GLU A 30 0.696 0.227 5.485 1.00 0.00 C ATOM 368 O GLU A 30 0.622 0.811 4.405 1.00 0.00 O ATOM 369 CB GLU A 30 -0.823 -1.386 6.688 1.00 0.00 C ATOM 370 CG GLU A 30 -2.038 -2.140 6.146 1.00 0.00 C ATOM 371 CD GLU A 30 -2.548 -3.163 7.163 1.00 0.00 C ATOM 372 OE1 GLU A 30 -2.489 -2.842 8.369 1.00 0.00 O ATOM 373 OE2 GLU A 30 -2.986 -4.244 6.711 1.00 0.00 O ATOM 0 H GLU A 30 1.305 -2.656 6.731 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.184 -1.540 4.661 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -0.411 -1.921 7.544 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -1.130 -0.403 7.044 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -2.832 -1.433 5.907 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -1.772 -2.646 5.218 1.00 0.00 H new ATOM 380 N SER A 31 1.148 0.774 6.604 1.00 0.00 N ATOM 381 CA SER A 31 1.604 2.153 6.632 1.00 0.00 C ATOM 382 C SER A 31 2.381 2.474 5.354 1.00 0.00 C ATOM 383 O SER A 31 2.263 3.571 4.810 1.00 0.00 O ATOM 384 CB SER A 31 2.474 2.421 7.862 1.00 0.00 C ATOM 385 OG SER A 31 1.698 2.830 8.985 1.00 0.00 O ATOM 0 H SER A 31 1.208 0.287 7.498 1.00 0.00 H new ATOM 0 HA SER A 31 0.729 2.800 6.690 1.00 0.00 H new ATOM 0 HB2 SER A 31 3.031 1.519 8.115 1.00 0.00 H new ATOM 0 HB3 SER A 31 3.207 3.193 7.627 1.00 0.00 H new ATOM 0 HG SER A 31 2.289 2.990 9.750 1.00 0.00 H new ATOM 391 N VAL A 32 3.158 1.497 4.910 1.00 0.00 N ATOM 392 CA VAL A 32 3.954 1.661 3.706 1.00 0.00 C ATOM 393 C VAL A 32 3.031 1.657 2.486 1.00 0.00 C ATOM 394 O VAL A 32 3.053 2.589 1.683 1.00 0.00 O ATOM 395 CB VAL A 32 5.035 0.580 3.641 1.00 0.00 C ATOM 396 CG1 VAL A 32 5.753 0.603 2.290 1.00 0.00 C ATOM 397 CG2 VAL A 32 6.029 0.729 4.794 1.00 0.00 C ATOM 0 H VAL A 32 3.253 0.588 5.363 1.00 0.00 H new ATOM 0 HA VAL A 32 4.473 2.620 3.719 1.00 0.00 H new ATOM 0 HB VAL A 32 4.547 -0.389 3.744 1.00 0.00 H new ATOM 0 HG11 VAL A 32 6.516 -0.175 2.270 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.032 0.425 1.492 1.00 0.00 H new ATOM 0 HG13 VAL A 32 6.223 1.576 2.144 1.00 0.00 H new ATOM 0 HG21 VAL A 32 6.787 -0.051 4.724 1.00 0.00 H new ATOM 0 HG22 VAL A 32 6.508 1.706 4.737 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.501 0.639 5.743 1.00 0.00 H new ATOM 407 N GLY A 33 2.241 0.598 2.384 1.00 0.00 N ATOM 408 CA GLY A 33 1.312 0.461 1.275 1.00 0.00 C ATOM 409 C GLY A 33 0.405 1.688 1.165 1.00 0.00 C ATOM 410 O GLY A 33 -0.177 1.943 0.111 1.00 0.00 O ATOM 0 H GLY A 33 2.225 -0.173 3.051 1.00 0.00 H new ATOM 0 HA2 GLY A 33 1.866 0.330 0.346 1.00 0.00 H new ATOM 0 HA3 GLY A 33 0.705 -0.433 1.413 1.00 0.00 H new ATOM 414 N LYS A 34 0.311 2.416 2.268 1.00 0.00 N ATOM 415 CA LYS A 34 -0.516 3.610 2.309 1.00 0.00 C ATOM 416 C LYS A 34 0.291 4.802 1.792 1.00 0.00 C ATOM 417 O LYS A 34 -0.194 5.574 0.967 1.00 0.00 O ATOM 418 CB LYS A 34 -1.088 3.817 3.713 1.00 0.00 C ATOM 419 CG LYS A 34 -2.093 4.971 3.731 1.00 0.00 C ATOM 420 CD LYS A 34 -2.053 5.713 5.068 1.00 0.00 C ATOM 421 CE LYS A 34 -3.449 5.803 5.687 1.00 0.00 C ATOM 422 NZ LYS A 34 -3.355 6.035 7.146 1.00 0.00 N ATOM 0 H LYS A 34 0.794 2.202 3.140 1.00 0.00 H new ATOM 0 HA LYS A 34 -1.378 3.499 1.651 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -1.574 2.901 4.050 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.278 4.024 4.413 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -1.871 5.664 2.920 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -3.097 4.586 3.555 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -1.380 5.198 5.754 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -1.652 6.716 4.920 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -4.009 6.613 5.219 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -3.999 4.882 5.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -4.311 6.094 7.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -2.839 5.249 7.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -2.849 6.926 7.324 1.00 0.00 H new ATOM 436 N HIS A 35 1.510 4.916 2.299 1.00 0.00 N ATOM 437 CA HIS A 35 2.390 6.001 1.899 1.00 0.00 C ATOM 438 C HIS A 35 2.668 5.908 0.398 1.00 0.00 C ATOM 439 O HIS A 35 2.778 6.928 -0.281 1.00 0.00 O ATOM 440 CB HIS A 35 3.667 6.003 2.741 1.00 0.00 C ATOM 441 CG HIS A 35 4.700 7.008 2.287 1.00 0.00 C ATOM 442 ND1 HIS A 35 4.823 8.264 2.854 1.00 0.00 N ATOM 443 CD2 HIS A 35 5.654 6.928 1.316 1.00 0.00 C ATOM 444 CE1 HIS A 35 5.810 8.903 2.244 1.00 0.00 C ATOM 445 NE2 HIS A 35 6.324 8.074 1.291 1.00 0.00 N ATOM 0 H HIS A 35 1.909 4.274 2.984 1.00 0.00 H new ATOM 0 HA HIS A 35 1.902 6.958 2.084 1.00 0.00 H new ATOM 0 HB2 HIS A 35 3.406 6.210 3.779 1.00 0.00 H new ATOM 0 HB3 HIS A 35 4.108 5.007 2.716 1.00 0.00 H new ATOM 0 HD2 HIS A 35 5.834 6.077 0.676 1.00 0.00 H new ATOM 0 HE1 HIS A 35 6.148 9.905 2.463 1.00 0.00 H new ATOM 0 HE2 HIS A 35 7.096 8.297 0.663 1.00 0.00 H new ATOM 453 N MET A 36 2.775 4.676 -0.077 1.00 0.00 N ATOM 454 CA MET A 36 3.039 4.437 -1.486 1.00 0.00 C ATOM 455 C MET A 36 1.805 4.749 -2.335 1.00 0.00 C ATOM 456 O MET A 36 1.923 5.298 -3.430 1.00 0.00 O ATOM 457 CB MET A 36 3.442 2.975 -1.689 1.00 0.00 C ATOM 458 CG MET A 36 4.505 2.554 -0.672 1.00 0.00 C ATOM 459 SD MET A 36 6.115 2.535 -1.444 1.00 0.00 S ATOM 460 CE MET A 36 6.168 4.198 -2.091 1.00 0.00 C ATOM 0 H MET A 36 2.684 3.832 0.489 1.00 0.00 H new ATOM 0 HA MET A 36 3.850 5.094 -1.801 1.00 0.00 H new ATOM 0 HB2 MET A 36 2.565 2.335 -1.590 1.00 0.00 H new ATOM 0 HB3 MET A 36 3.825 2.837 -2.700 1.00 0.00 H new ATOM 0 HG2 MET A 36 4.506 3.243 0.172 1.00 0.00 H new ATOM 0 HG3 MET A 36 4.271 1.566 -0.276 1.00 0.00 H new ATOM 0 HE1 MET A 36 7.186 4.435 -2.401 1.00 0.00 H new ATOM 0 HE2 MET A 36 5.500 4.276 -2.948 1.00 0.00 H new ATOM 0 HE3 MET A 36 5.851 4.899 -1.319 1.00 0.00 H new ATOM 470 N LEU A 37 0.649 4.385 -1.799 1.00 0.00 N ATOM 471 CA LEU A 37 -0.605 4.619 -2.494 1.00 0.00 C ATOM 472 C LEU A 37 -0.933 6.113 -2.457 1.00 0.00 C ATOM 473 O LEU A 37 -1.469 6.658 -3.420 1.00 0.00 O ATOM 474 CB LEU A 37 -1.711 3.732 -1.918 1.00 0.00 C ATOM 475 CG LEU A 37 -1.772 2.301 -2.457 1.00 0.00 C ATOM 476 CD1 LEU A 37 -2.634 1.413 -1.558 1.00 0.00 C ATOM 477 CD2 LEU A 37 -2.251 2.283 -3.910 1.00 0.00 C ATOM 0 H LEU A 37 0.555 3.930 -0.891 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.517 4.338 -3.543 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.587 3.687 -0.836 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.671 4.212 -2.109 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.763 1.888 -2.445 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.661 0.402 -1.964 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.210 1.390 -0.554 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.647 1.813 -1.515 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.285 1.254 -4.269 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.247 2.722 -3.970 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.562 2.860 -4.527 1.00 0.00 H new ATOM 489 N GLU A 38 -0.596 6.732 -1.335 1.00 0.00 N ATOM 490 CA GLU A 38 -0.848 8.152 -1.160 1.00 0.00 C ATOM 491 C GLU A 38 0.078 8.971 -2.062 1.00 0.00 C ATOM 492 O GLU A 38 -0.144 10.163 -2.267 1.00 0.00 O ATOM 493 CB GLU A 38 -0.687 8.560 0.306 1.00 0.00 C ATOM 494 CG GLU A 38 -2.047 8.844 0.948 1.00 0.00 C ATOM 495 CD GLU A 38 -2.632 10.161 0.434 1.00 0.00 C ATOM 496 OE1 GLU A 38 -2.489 10.408 -0.783 1.00 0.00 O ATOM 497 OE2 GLU A 38 -3.209 10.890 1.269 1.00 0.00 O ATOM 0 H GLU A 38 -0.151 6.276 -0.538 1.00 0.00 H new ATOM 0 HA GLU A 38 -1.879 8.357 -1.449 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.180 7.766 0.855 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.057 9.447 0.373 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.734 8.027 0.729 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.939 8.888 2.032 1.00 0.00 H new ATOM 504 N ALA A 39 1.097 8.298 -2.576 1.00 0.00 N ATOM 505 CA ALA A 39 2.058 8.948 -3.451 1.00 0.00 C ATOM 506 C ALA A 39 1.783 8.536 -4.899 1.00 0.00 C ATOM 507 O ALA A 39 2.583 8.816 -5.790 1.00 0.00 O ATOM 508 CB ALA A 39 3.477 8.594 -3.004 1.00 0.00 C ATOM 0 H ALA A 39 1.278 7.309 -2.403 1.00 0.00 H new ATOM 0 HA ALA A 39 1.959 10.032 -3.392 1.00 0.00 H new ATOM 0 HB1 ALA A 39 4.198 9.082 -3.661 1.00 0.00 H new ATOM 0 HB2 ALA A 39 3.631 8.934 -1.980 1.00 0.00 H new ATOM 0 HB3 ALA A 39 3.615 7.514 -3.053 1.00 0.00 H new ATOM 514 N CYS A 40 0.648 7.878 -5.088 1.00 0.00 N ATOM 515 CA CYS A 40 0.258 7.424 -6.412 1.00 0.00 C ATOM 516 C CYS A 40 -1.242 7.672 -6.582 1.00 0.00 C ATOM 517 O CYS A 40 -1.881 7.070 -7.444 1.00 0.00 O ATOM 518 CB CYS A 40 0.623 5.956 -6.638 1.00 0.00 C ATOM 519 SG CYS A 40 2.441 5.750 -6.596 1.00 0.00 S ATOM 0 H CYS A 40 -0.014 7.649 -4.346 1.00 0.00 H new ATOM 0 HA CYS A 40 0.807 7.986 -7.168 1.00 0.00 H new ATOM 0 HB2 CYS A 40 0.161 5.335 -5.871 1.00 0.00 H new ATOM 0 HB3 CYS A 40 0.233 5.619 -7.598 1.00 0.00 H new ATOM 0 HG CYS A 40 2.988 6.545 -7.467 1.00 0.00 H new ATOM 525 N ASN A 41 -1.761 8.559 -5.746 1.00 0.00 N ATOM 526 CA ASN A 41 -3.175 8.893 -5.792 1.00 0.00 C ATOM 527 C ASN A 41 -4.002 7.622 -5.590 1.00 0.00 C ATOM 528 O ASN A 41 -4.894 7.325 -6.383 1.00 0.00 O ATOM 529 CB ASN A 41 -3.554 9.494 -7.147 1.00 0.00 C ATOM 530 CG ASN A 41 -3.129 10.961 -7.235 1.00 0.00 C ATOM 531 OD1 ASN A 41 -3.187 11.709 -6.274 1.00 0.00 O ATOM 532 ND2 ASN A 41 -2.701 11.328 -8.439 1.00 0.00 N ATOM 0 H ASN A 41 -1.228 9.057 -5.033 1.00 0.00 H new ATOM 0 HA ASN A 41 -3.376 9.620 -5.006 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -3.079 8.926 -7.947 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -4.631 9.414 -7.296 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -2.395 12.288 -8.601 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -2.678 10.650 -9.201 1.00 0.00 H new ATOM 539 N ASN A 42 -3.677 6.906 -4.523 1.00 0.00 N ATOM 540 CA ASN A 42 -4.379 5.674 -4.207 1.00 0.00 C ATOM 541 C ASN A 42 -4.395 4.770 -5.440 1.00 0.00 C ATOM 542 O ASN A 42 -5.449 4.279 -5.841 1.00 0.00 O ATOM 543 CB ASN A 42 -5.829 5.954 -3.806 1.00 0.00 C ATOM 544 CG ASN A 42 -5.908 7.106 -2.803 1.00 0.00 C ATOM 545 OD1 ASN A 42 -4.947 7.449 -2.135 1.00 0.00 O ATOM 546 ND2 ASN A 42 -7.105 7.683 -2.736 1.00 0.00 N ATOM 0 H ASN A 42 -2.937 7.156 -3.867 1.00 0.00 H new ATOM 0 HA ASN A 42 -3.861 5.194 -3.376 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -6.414 6.198 -4.692 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -6.269 5.057 -3.370 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -7.260 8.462 -2.097 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -7.867 7.346 -3.324 1.00 0.00 H new ATOM 553 N ASN A 43 -3.214 4.577 -6.009 1.00 0.00 N ATOM 554 CA ASN A 43 -3.079 3.740 -7.189 1.00 0.00 C ATOM 555 C ASN A 43 -2.084 2.614 -6.899 1.00 0.00 C ATOM 556 O ASN A 43 -0.875 2.839 -6.875 1.00 0.00 O ATOM 557 CB ASN A 43 -2.548 4.545 -8.377 1.00 0.00 C ATOM 558 CG ASN A 43 -2.375 3.655 -9.609 1.00 0.00 C ATOM 559 OD1 ASN A 43 -2.118 2.466 -9.516 1.00 0.00 O ATOM 560 ND2 ASN A 43 -2.530 4.294 -10.765 1.00 0.00 N ATOM 0 H ASN A 43 -2.342 4.986 -5.674 1.00 0.00 H new ATOM 0 HA ASN A 43 -4.063 3.341 -7.434 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -3.236 5.359 -8.606 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -1.592 4.999 -8.115 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -2.434 3.787 -11.645 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -2.744 5.291 -10.772 1.00 0.00 H new ATOM 567 N LEU A 44 -2.631 1.426 -6.687 1.00 0.00 N ATOM 568 CA LEU A 44 -1.807 0.264 -6.400 1.00 0.00 C ATOM 569 C LEU A 44 -0.820 0.047 -7.549 1.00 0.00 C ATOM 570 O LEU A 44 0.392 0.047 -7.338 1.00 0.00 O ATOM 571 CB LEU A 44 -2.683 -0.955 -6.104 1.00 0.00 C ATOM 572 CG LEU A 44 -1.951 -2.292 -5.975 1.00 0.00 C ATOM 573 CD1 LEU A 44 -1.357 -2.459 -4.575 1.00 0.00 C ATOM 574 CD2 LEU A 44 -2.868 -3.458 -6.351 1.00 0.00 C ATOM 0 H LEU A 44 -3.634 1.243 -6.708 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.217 0.430 -5.499 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.227 -0.770 -5.178 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -3.426 -1.045 -6.897 1.00 0.00 H new ATOM 0 HG LEU A 44 -1.120 -2.296 -6.680 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -0.842 -3.418 -4.510 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.649 -1.653 -4.382 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.156 -2.425 -3.834 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.323 -4.397 -6.251 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -3.734 -3.468 -5.689 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.202 -3.341 -7.382 1.00 0.00 H new ATOM 586 N GLU A 45 -1.375 -0.131 -8.738 1.00 0.00 N ATOM 587 CA GLU A 45 -0.559 -0.348 -9.920 1.00 0.00 C ATOM 588 C GLU A 45 0.672 0.561 -9.889 1.00 0.00 C ATOM 589 O GLU A 45 1.802 0.085 -9.988 1.00 0.00 O ATOM 590 CB GLU A 45 -1.373 -0.125 -11.197 1.00 0.00 C ATOM 591 CG GLU A 45 -2.140 -1.390 -11.586 1.00 0.00 C ATOM 592 CD GLU A 45 -1.636 -1.949 -12.918 1.00 0.00 C ATOM 593 OE1 GLU A 45 -1.687 -1.188 -13.908 1.00 0.00 O ATOM 594 OE2 GLU A 45 -1.210 -3.124 -12.916 1.00 0.00 O ATOM 0 H GLU A 45 -2.381 -0.129 -8.909 1.00 0.00 H new ATOM 0 HA GLU A 45 -0.222 -1.385 -9.920 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -2.073 0.697 -11.048 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.708 0.166 -12.010 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -2.027 -2.143 -10.806 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -3.204 -1.166 -11.661 1.00 0.00 H new ATOM 601 N MET A 46 0.411 1.852 -9.752 1.00 0.00 N ATOM 602 CA MET A 46 1.484 2.832 -9.706 1.00 0.00 C ATOM 603 C MET A 46 2.383 2.604 -8.489 1.00 0.00 C ATOM 604 O MET A 46 3.589 2.412 -8.631 1.00 0.00 O ATOM 605 CB MET A 46 0.888 4.239 -9.646 1.00 0.00 C ATOM 606 CG MET A 46 0.739 4.833 -11.048 1.00 0.00 C ATOM 607 SD MET A 46 1.865 6.203 -11.254 1.00 0.00 S ATOM 608 CE MET A 46 1.049 7.429 -10.246 1.00 0.00 C ATOM 0 H MET A 46 -0.528 2.243 -9.671 1.00 0.00 H new ATOM 0 HA MET A 46 2.089 2.723 -10.606 1.00 0.00 H new ATOM 0 HB2 MET A 46 -0.085 4.205 -9.157 1.00 0.00 H new ATOM 0 HB3 MET A 46 1.526 4.883 -9.041 1.00 0.00 H new ATOM 0 HG2 MET A 46 0.941 4.069 -11.799 1.00 0.00 H new ATOM 0 HG3 MET A 46 -0.287 5.168 -11.203 1.00 0.00 H new ATOM 0 HE1 MET A 46 0.901 8.339 -10.828 1.00 0.00 H new ATOM 0 HE2 MET A 46 0.082 7.046 -9.919 1.00 0.00 H new ATOM 0 HE3 MET A 46 1.665 7.652 -9.374 1.00 0.00 H new ATOM 618 N ALA A 47 1.760 2.635 -7.320 1.00 0.00 N ATOM 619 CA ALA A 47 2.488 2.435 -6.079 1.00 0.00 C ATOM 620 C ALA A 47 3.433 1.241 -6.233 1.00 0.00 C ATOM 621 O ALA A 47 4.628 1.352 -5.967 1.00 0.00 O ATOM 622 CB ALA A 47 1.497 2.249 -4.929 1.00 0.00 C ATOM 0 H ALA A 47 0.759 2.796 -7.206 1.00 0.00 H new ATOM 0 HA ALA A 47 3.096 3.309 -5.847 1.00 0.00 H new ATOM 0 HB1 ALA A 47 2.044 2.099 -3.998 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.870 3.136 -4.842 1.00 0.00 H new ATOM 0 HB3 ALA A 47 0.870 1.379 -5.126 1.00 0.00 H new ATOM 628 N VAL A 48 2.860 0.126 -6.663 1.00 0.00 N ATOM 629 CA VAL A 48 3.635 -1.088 -6.856 1.00 0.00 C ATOM 630 C VAL A 48 4.812 -0.793 -7.787 1.00 0.00 C ATOM 631 O VAL A 48 5.966 -1.028 -7.430 1.00 0.00 O ATOM 632 CB VAL A 48 2.732 -2.210 -7.371 1.00 0.00 C ATOM 633 CG1 VAL A 48 3.555 -3.434 -7.776 1.00 0.00 C ATOM 634 CG2 VAL A 48 1.672 -2.581 -6.332 1.00 0.00 C ATOM 0 H VAL A 48 1.868 0.038 -6.883 1.00 0.00 H new ATOM 0 HA VAL A 48 4.048 -1.432 -5.908 1.00 0.00 H new ATOM 0 HB VAL A 48 2.217 -1.844 -8.259 1.00 0.00 H new ATOM 0 HG11 VAL A 48 2.889 -4.217 -8.138 1.00 0.00 H new ATOM 0 HG12 VAL A 48 4.254 -3.158 -8.566 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.110 -3.801 -6.913 1.00 0.00 H new ATOM 0 HG21 VAL A 48 1.043 -3.381 -6.723 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.161 -2.918 -5.418 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.056 -1.709 -6.114 1.00 0.00 H new ATOM 644 N THR A 49 4.481 -0.281 -8.964 1.00 0.00 N ATOM 645 CA THR A 49 5.496 0.049 -9.949 1.00 0.00 C ATOM 646 C THR A 49 6.523 1.014 -9.355 1.00 0.00 C ATOM 647 O THR A 49 7.711 0.930 -9.663 1.00 0.00 O ATOM 648 CB THR A 49 4.790 0.601 -11.189 1.00 0.00 C ATOM 649 OG1 THR A 49 4.218 -0.550 -11.805 1.00 0.00 O ATOM 650 CG2 THR A 49 5.772 1.133 -12.235 1.00 0.00 C ATOM 0 H THR A 49 3.523 -0.087 -9.257 1.00 0.00 H new ATOM 0 HA THR A 49 6.061 -0.835 -10.245 1.00 0.00 H new ATOM 0 HB THR A 49 4.108 1.398 -10.892 1.00 0.00 H new ATOM 0 HG1 THR A 49 3.321 -0.704 -11.441 1.00 0.00 H new ATOM 0 HG21 THR A 49 5.218 1.513 -13.094 1.00 0.00 H new ATOM 0 HG22 THR A 49 6.365 1.938 -11.801 1.00 0.00 H new ATOM 0 HG23 THR A 49 6.433 0.328 -12.556 1.00 0.00 H new ATOM 658 N MET A 50 6.028 1.909 -8.512 1.00 0.00 N ATOM 659 CA MET A 50 6.888 2.889 -7.871 1.00 0.00 C ATOM 660 C MET A 50 7.794 2.228 -6.831 1.00 0.00 C ATOM 661 O MET A 50 9.015 2.367 -6.887 1.00 0.00 O ATOM 662 CB MET A 50 6.028 3.958 -7.194 1.00 0.00 C ATOM 663 CG MET A 50 5.184 4.715 -8.221 1.00 0.00 C ATOM 664 SD MET A 50 5.425 6.474 -8.032 1.00 0.00 S ATOM 665 CE MET A 50 5.317 6.612 -6.256 1.00 0.00 C ATOM 0 H MET A 50 5.042 1.976 -8.258 1.00 0.00 H new ATOM 0 HA MET A 50 7.517 3.346 -8.634 1.00 0.00 H new ATOM 0 HB2 MET A 50 5.376 3.491 -6.456 1.00 0.00 H new ATOM 0 HB3 MET A 50 6.668 4.658 -6.657 1.00 0.00 H new ATOM 0 HG2 MET A 50 5.462 4.408 -9.229 1.00 0.00 H new ATOM 0 HG3 MET A 50 4.130 4.468 -8.091 1.00 0.00 H new ATOM 0 HE1 MET A 50 4.615 7.404 -5.995 1.00 0.00 H new ATOM 0 HE2 MET A 50 4.970 5.667 -5.838 1.00 0.00 H new ATOM 0 HE3 MET A 50 6.300 6.849 -5.849 1.00 0.00 H new ATOM 675 N PHE A 51 7.161 1.521 -5.906 1.00 0.00 N ATOM 676 CA PHE A 51 7.894 0.837 -4.854 1.00 0.00 C ATOM 677 C PHE A 51 8.816 -0.236 -5.437 1.00 0.00 C ATOM 678 O PHE A 51 9.985 -0.323 -5.066 1.00 0.00 O ATOM 679 CB PHE A 51 6.858 0.167 -3.950 1.00 0.00 C ATOM 680 CG PHE A 51 7.462 -0.758 -2.891 1.00 0.00 C ATOM 681 CD1 PHE A 51 8.044 -0.231 -1.780 1.00 0.00 C ATOM 682 CD2 PHE A 51 7.417 -2.106 -3.060 1.00 0.00 C ATOM 683 CE1 PHE A 51 8.605 -1.089 -0.797 1.00 0.00 C ATOM 684 CE2 PHE A 51 7.978 -2.964 -2.077 1.00 0.00 C ATOM 685 CZ PHE A 51 8.560 -2.437 -0.967 1.00 0.00 C ATOM 0 H PHE A 51 6.148 1.407 -5.863 1.00 0.00 H new ATOM 0 HA PHE A 51 8.511 1.549 -4.306 1.00 0.00 H new ATOM 0 HB2 PHE A 51 6.272 0.939 -3.452 1.00 0.00 H new ATOM 0 HB3 PHE A 51 6.168 -0.407 -4.569 1.00 0.00 H new ATOM 0 HD1 PHE A 51 8.079 0.840 -1.645 1.00 0.00 H new ATOM 0 HD2 PHE A 51 6.955 -2.525 -3.942 1.00 0.00 H new ATOM 0 HE1 PHE A 51 9.067 -0.671 0.085 1.00 0.00 H new ATOM 0 HE2 PHE A 51 7.942 -4.035 -2.211 1.00 0.00 H new ATOM 0 HZ PHE A 51 8.987 -3.090 -0.220 1.00 0.00 H new ATOM 695 N LEU A 52 8.254 -1.026 -6.340 1.00 0.00 N ATOM 696 CA LEU A 52 9.010 -2.090 -6.978 1.00 0.00 C ATOM 697 C LEU A 52 10.278 -1.504 -7.603 1.00 0.00 C ATOM 698 O LEU A 52 11.388 -1.822 -7.178 1.00 0.00 O ATOM 699 CB LEU A 52 8.131 -2.852 -7.971 1.00 0.00 C ATOM 700 CG LEU A 52 7.200 -3.907 -7.371 1.00 0.00 C ATOM 701 CD1 LEU A 52 6.369 -4.589 -8.459 1.00 0.00 C ATOM 702 CD2 LEU A 52 7.986 -4.918 -6.533 1.00 0.00 C ATOM 0 H LEU A 52 7.284 -0.950 -6.645 1.00 0.00 H new ATOM 0 HA LEU A 52 9.328 -2.826 -6.240 1.00 0.00 H new ATOM 0 HB2 LEU A 52 7.525 -2.130 -8.517 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.779 -3.340 -8.699 1.00 0.00 H new ATOM 0 HG LEU A 52 6.502 -3.405 -6.701 1.00 0.00 H new ATOM 0 HD11 LEU A 52 5.716 -5.334 -8.005 1.00 0.00 H new ATOM 0 HD12 LEU A 52 5.764 -3.844 -8.976 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.033 -5.076 -9.173 1.00 0.00 H new ATOM 0 HD21 LEU A 52 7.301 -5.657 -6.118 1.00 0.00 H new ATOM 0 HD22 LEU A 52 8.722 -5.418 -7.162 1.00 0.00 H new ATOM 0 HD23 LEU A 52 8.496 -4.399 -5.721 1.00 0.00 H new ATOM 714 N ASP A 53 10.071 -0.659 -8.602 1.00 0.00 N ATOM 715 CA ASP A 53 11.184 -0.026 -9.290 1.00 0.00 C ATOM 716 C ASP A 53 12.224 0.423 -8.262 1.00 0.00 C ATOM 717 O ASP A 53 13.414 0.152 -8.419 1.00 0.00 O ATOM 718 CB ASP A 53 10.721 1.209 -10.065 1.00 0.00 C ATOM 719 CG ASP A 53 11.760 1.799 -11.021 1.00 0.00 C ATOM 720 OD1 ASP A 53 11.896 1.235 -12.129 1.00 0.00 O ATOM 721 OD2 ASP A 53 12.393 2.800 -10.624 1.00 0.00 O ATOM 0 H ASP A 53 9.149 -0.398 -8.952 1.00 0.00 H new ATOM 0 HA ASP A 53 11.607 -0.751 -9.986 1.00 0.00 H new ATOM 0 HB2 ASP A 53 9.830 0.948 -10.636 1.00 0.00 H new ATOM 0 HB3 ASP A 53 10.428 1.979 -9.351 1.00 0.00 H new ATOM 726 N GLY A 54 11.738 1.101 -7.233 1.00 0.00 N ATOM 727 CA GLY A 54 12.611 1.590 -6.179 1.00 0.00 C ATOM 728 C GLY A 54 13.472 0.460 -5.612 1.00 0.00 C ATOM 729 O GLY A 54 14.699 0.529 -5.652 1.00 0.00 O ATOM 0 H GLY A 54 10.751 1.323 -7.106 1.00 0.00 H new ATOM 0 HA2 GLY A 54 13.253 2.380 -6.570 1.00 0.00 H new ATOM 0 HA3 GLY A 54 12.013 2.031 -5.382 1.00 0.00 H new ATOM 733 N GLY A 55 12.794 -0.555 -5.096 1.00 0.00 N ATOM 734 CA GLY A 55 13.481 -1.699 -4.520 1.00 0.00 C ATOM 735 C GLY A 55 12.505 -2.598 -3.758 1.00 0.00 C ATOM 736 O GLY A 55 11.563 -2.111 -3.137 1.00 0.00 O ATOM 0 H GLY A 55 11.776 -0.609 -5.065 1.00 0.00 H new ATOM 0 HA2 GLY A 55 13.967 -2.271 -5.310 1.00 0.00 H new ATOM 0 HA3 GLY A 55 14.266 -1.355 -3.846 1.00 0.00 H new ATOM 740 N GLY A 56 12.766 -3.895 -3.832 1.00 0.00 N ATOM 741 CA GLY A 56 11.923 -4.867 -3.157 1.00 0.00 C ATOM 742 C GLY A 56 11.425 -5.934 -4.134 1.00 0.00 C ATOM 743 O GLY A 56 10.221 -6.080 -4.339 1.00 0.00 O ATOM 0 H GLY A 56 13.549 -4.295 -4.349 1.00 0.00 H new ATOM 0 HA2 GLY A 56 12.482 -5.340 -2.350 1.00 0.00 H new ATOM 0 HA3 GLY A 56 11.072 -4.361 -2.701 1.00 0.00 H new ATOM 747 N SER A 57 12.378 -6.652 -4.711 1.00 0.00 N ATOM 748 CA SER A 57 12.051 -7.701 -5.662 1.00 0.00 C ATOM 749 C SER A 57 12.842 -8.969 -5.334 1.00 0.00 C ATOM 750 O SER A 57 13.867 -9.245 -5.957 1.00 0.00 O ATOM 751 CB SER A 57 12.338 -7.253 -7.097 1.00 0.00 C ATOM 752 OG SER A 57 11.321 -7.675 -8.001 1.00 0.00 O ATOM 0 H SER A 57 13.376 -6.528 -4.538 1.00 0.00 H new ATOM 0 HA SER A 57 10.985 -7.914 -5.583 1.00 0.00 H new ATOM 0 HB2 SER A 57 12.422 -6.167 -7.128 1.00 0.00 H new ATOM 0 HB3 SER A 57 13.298 -7.657 -7.418 1.00 0.00 H new ATOM 0 HG SER A 57 11.540 -7.368 -8.906 1.00 0.00 H new ATOM 758 N GLY A 58 12.336 -9.707 -4.357 1.00 0.00 N ATOM 759 CA GLY A 58 12.983 -10.940 -3.938 1.00 0.00 C ATOM 760 C GLY A 58 13.738 -10.743 -2.623 1.00 0.00 C ATOM 761 O GLY A 58 13.322 -9.954 -1.775 1.00 0.00 O ATOM 0 H GLY A 58 11.486 -9.475 -3.843 1.00 0.00 H new ATOM 0 HA2 GLY A 58 12.236 -11.725 -3.818 1.00 0.00 H new ATOM 0 HA3 GLY A 58 13.674 -11.273 -4.712 1.00 0.00 H new ATOM 765 N PRO A 59 14.865 -11.493 -2.489 1.00 0.00 N ATOM 766 CA PRO A 59 15.682 -11.409 -1.291 1.00 0.00 C ATOM 767 C PRO A 59 16.500 -10.116 -1.275 1.00 0.00 C ATOM 768 O PRO A 59 17.132 -9.765 -2.270 1.00 0.00 O ATOM 769 CB PRO A 59 16.547 -12.659 -1.317 1.00 0.00 C ATOM 770 CG PRO A 59 16.517 -13.158 -2.752 1.00 0.00 C ATOM 771 CD PRO A 59 15.388 -12.438 -3.472 1.00 0.00 C ATOM 0 HA PRO A 59 15.088 -11.371 -0.378 1.00 0.00 H new ATOM 0 HB2 PRO A 59 17.566 -12.435 -1.003 1.00 0.00 H new ATOM 0 HB3 PRO A 59 16.161 -13.415 -0.633 1.00 0.00 H new ATOM 0 HG2 PRO A 59 17.470 -12.963 -3.244 1.00 0.00 H new ATOM 0 HG3 PRO A 59 16.360 -14.236 -2.778 1.00 0.00 H new ATOM 0 HD2 PRO A 59 15.750 -11.924 -4.362 1.00 0.00 H new ATOM 0 HD3 PRO A 59 14.618 -13.136 -3.799 1.00 0.00 H new ATOM 779 N SER A 60 16.462 -9.444 -0.134 1.00 0.00 N ATOM 780 CA SER A 60 17.191 -8.197 0.025 1.00 0.00 C ATOM 781 C SER A 60 18.130 -8.290 1.230 1.00 0.00 C ATOM 782 O SER A 60 17.943 -9.136 2.103 1.00 0.00 O ATOM 783 CB SER A 60 16.234 -7.016 0.188 1.00 0.00 C ATOM 784 OG SER A 60 16.924 -5.769 0.216 1.00 0.00 O ATOM 0 H SER A 60 15.938 -9.739 0.690 1.00 0.00 H new ATOM 0 HA SER A 60 17.781 -8.029 -0.876 1.00 0.00 H new ATOM 0 HB2 SER A 60 15.517 -7.015 -0.633 1.00 0.00 H new ATOM 0 HB3 SER A 60 15.664 -7.136 1.109 1.00 0.00 H new ATOM 0 HG SER A 60 16.278 -5.040 0.320 1.00 0.00 H new ATOM 790 N SER A 61 19.119 -7.409 1.238 1.00 0.00 N ATOM 791 CA SER A 61 20.087 -7.381 2.322 1.00 0.00 C ATOM 792 C SER A 61 19.442 -6.808 3.585 1.00 0.00 C ATOM 793 O SER A 61 19.429 -7.458 4.629 1.00 0.00 O ATOM 794 CB SER A 61 21.320 -6.562 1.937 1.00 0.00 C ATOM 795 OG SER A 61 22.468 -6.936 2.695 1.00 0.00 O ATOM 0 H SER A 61 19.271 -6.709 0.512 1.00 0.00 H new ATOM 0 HA SER A 61 20.410 -8.403 2.519 1.00 0.00 H new ATOM 0 HB2 SER A 61 21.527 -6.696 0.875 1.00 0.00 H new ATOM 0 HB3 SER A 61 21.114 -5.503 2.090 1.00 0.00 H new ATOM 0 HG SER A 61 23.234 -6.391 2.418 1.00 0.00 H new ATOM 801 N GLY A 62 18.922 -5.597 3.449 1.00 0.00 N ATOM 802 CA GLY A 62 18.277 -4.929 4.566 1.00 0.00 C ATOM 803 C GLY A 62 19.024 -3.648 4.945 1.00 0.00 C ATOM 804 O GLY A 62 20.161 -3.441 4.523 1.00 0.00 O ATOM 0 H GLY A 62 18.934 -5.061 2.581 1.00 0.00 H new ATOM 0 HA2 GLY A 62 17.246 -4.689 4.305 1.00 0.00 H new ATOM 0 HA3 GLY A 62 18.241 -5.600 5.424 1.00 0.00 H new TER 808 GLY A 62