USER MOD reduce.3.24.130724 H: found=0, std=0, add=494, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 492 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.501 USER MOD Single : A 11 LYS NZ :NH3+ 157:sc= 0.113 (180deg=-0.324) USER MOD Single : A 14 CYS SG : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.0335 X(o=-0.034,f=-0.034) USER MOD Single : A 16 TYR OH : rot -15:sc= -1.61 USER MOD Single : A 19 LYS NZ :NH3+ -147:sc= -2.96! (180deg=-4.09!) USER MOD Single : A 20 ASN : amide:sc= -1.35 K(o=-1.3,f=-0.096) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 41 ASN : amide:sc= -0.731 K(o=-0.73,f=-0.13) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=-0.0034) USER MOD Single : A 48 ASN : amide:sc= -0.0601 K(o=-0.06,f=-1.8!) USER MOD Single : A 51 SER OG : rot 26:sc= 0.113 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= -0.749 USER MOD Single : A 63 SER OG : rot 50:sc= -1.83 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -21.351 -14.171 2.970 1.00 0.00 N ATOM 2 CA GLY A 1 -21.337 -14.312 1.526 1.00 0.00 C ATOM 3 C GLY A 1 -20.317 -13.407 0.865 1.00 0.00 C ATOM 4 O GLY A 1 -19.370 -13.881 0.239 1.00 0.00 O ATOM 0 H1 GLY A 1 -22.065 -14.810 3.374 1.00 0.00 H new ATOM 0 H2 GLY A 1 -20.414 -14.412 3.351 1.00 0.00 H new ATOM 0 H3 GLY A 1 -21.584 -13.189 3.221 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -21.120 -15.348 1.267 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -22.328 -14.086 1.132 1.00 0.00 H new ATOM 8 N SER A 2 -20.512 -12.099 1.003 1.00 0.00 N ATOM 9 CA SER A 2 -19.604 -11.124 0.409 1.00 0.00 C ATOM 10 C SER A 2 -18.648 -10.563 1.458 1.00 0.00 C ATOM 11 O SER A 2 -18.943 -10.576 2.653 1.00 0.00 O ATOM 12 CB SER A 2 -20.395 -9.986 -0.237 1.00 0.00 C ATOM 13 OG SER A 2 -20.893 -9.091 0.742 1.00 0.00 O ATOM 0 H SER A 2 -21.290 -11.690 1.521 1.00 0.00 H new ATOM 0 HA SER A 2 -19.018 -11.630 -0.358 1.00 0.00 H new ATOM 0 HB2 SER A 2 -19.756 -9.446 -0.936 1.00 0.00 H new ATOM 0 HB3 SER A 2 -21.224 -10.397 -0.814 1.00 0.00 H new ATOM 0 HG SER A 2 -21.393 -8.372 0.303 1.00 0.00 H new ATOM 19 N SER A 3 -17.501 -10.070 1.001 1.00 0.00 N ATOM 20 CA SER A 3 -16.499 -9.507 1.898 1.00 0.00 C ATOM 21 C SER A 3 -16.208 -10.461 3.054 1.00 0.00 C ATOM 22 O SER A 3 -16.083 -10.041 4.203 1.00 0.00 O ATOM 23 CB SER A 3 -16.972 -8.158 2.443 1.00 0.00 C ATOM 24 OG SER A 3 -16.868 -7.146 1.457 1.00 0.00 O ATOM 0 H SER A 3 -17.243 -10.049 0.014 1.00 0.00 H new ATOM 0 HA SER A 3 -15.580 -9.360 1.330 1.00 0.00 H new ATOM 0 HB2 SER A 3 -18.006 -8.240 2.777 1.00 0.00 H new ATOM 0 HB3 SER A 3 -16.376 -7.885 3.314 1.00 0.00 H new ATOM 0 HG SER A 3 -17.178 -6.294 1.829 1.00 0.00 H new ATOM 30 N GLY A 4 -16.101 -11.748 2.738 1.00 0.00 N ATOM 31 CA GLY A 4 -15.826 -12.742 3.759 1.00 0.00 C ATOM 32 C GLY A 4 -14.366 -13.149 3.793 1.00 0.00 C ATOM 33 O GLY A 4 -13.734 -13.133 4.849 1.00 0.00 O ATOM 0 H GLY A 4 -16.200 -12.120 1.793 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -16.113 -12.346 4.733 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -16.442 -13.623 3.579 1.00 0.00 H new ATOM 37 N SER A 5 -13.829 -13.517 2.634 1.00 0.00 N ATOM 38 CA SER A 5 -12.436 -13.936 2.535 1.00 0.00 C ATOM 39 C SER A 5 -11.497 -12.788 2.894 1.00 0.00 C ATOM 40 O SER A 5 -11.519 -11.732 2.261 1.00 0.00 O ATOM 41 CB SER A 5 -12.130 -14.437 1.123 1.00 0.00 C ATOM 42 OG SER A 5 -13.046 -15.446 0.731 1.00 0.00 O ATOM 0 H SER A 5 -14.338 -13.533 1.750 1.00 0.00 H new ATOM 0 HA SER A 5 -12.276 -14.749 3.243 1.00 0.00 H new ATOM 0 HB2 SER A 5 -12.177 -13.605 0.420 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.114 -14.829 1.085 1.00 0.00 H new ATOM 0 HG SER A 5 -12.831 -15.749 -0.176 1.00 0.00 H new ATOM 48 N SER A 6 -10.672 -13.003 3.914 1.00 0.00 N ATOM 49 CA SER A 6 -9.727 -11.986 4.360 1.00 0.00 C ATOM 50 C SER A 6 -9.191 -11.186 3.177 1.00 0.00 C ATOM 51 O SER A 6 -8.889 -11.743 2.122 1.00 0.00 O ATOM 52 CB SER A 6 -8.568 -12.635 5.120 1.00 0.00 C ATOM 53 OG SER A 6 -9.042 -13.421 6.199 1.00 0.00 O ATOM 0 H SER A 6 -10.639 -13.872 4.447 1.00 0.00 H new ATOM 0 HA SER A 6 -10.253 -11.304 5.028 1.00 0.00 H new ATOM 0 HB2 SER A 6 -7.987 -13.258 4.440 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.898 -11.862 5.496 1.00 0.00 H new ATOM 0 HG SER A 6 -8.282 -13.826 6.667 1.00 0.00 H new ATOM 59 N GLY A 7 -9.074 -9.874 3.361 1.00 0.00 N ATOM 60 CA GLY A 7 -8.575 -9.018 2.301 1.00 0.00 C ATOM 61 C GLY A 7 -7.060 -8.954 2.274 1.00 0.00 C ATOM 62 O GLY A 7 -6.392 -9.111 3.296 1.00 0.00 O ATOM 0 H GLY A 7 -9.316 -9.389 4.225 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.938 -9.385 1.341 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.976 -8.013 2.430 1.00 0.00 H new ATOM 66 N PRO A 8 -6.496 -8.719 1.080 1.00 0.00 N ATOM 67 CA PRO A 8 -5.045 -8.630 0.894 1.00 0.00 C ATOM 68 C PRO A 8 -4.455 -7.376 1.529 1.00 0.00 C ATOM 69 O PRO A 8 -5.182 -6.452 1.894 1.00 0.00 O ATOM 70 CB PRO A 8 -4.884 -8.585 -0.628 1.00 0.00 C ATOM 71 CG PRO A 8 -6.172 -8.030 -1.128 1.00 0.00 C ATOM 72 CD PRO A 8 -7.231 -8.522 -0.181 1.00 0.00 C ATOM 0 HA PRO A 8 -4.522 -9.461 1.367 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -4.042 -7.956 -0.919 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -4.696 -9.578 -1.036 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -6.145 -6.941 -1.151 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.372 -8.365 -2.146 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -8.037 -7.797 -0.067 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -7.684 -9.450 -0.531 1.00 0.00 H new ATOM 80 N ARG A 9 -3.132 -7.349 1.658 1.00 0.00 N ATOM 81 CA ARG A 9 -2.445 -6.208 2.250 1.00 0.00 C ATOM 82 C ARG A 9 -1.091 -5.983 1.583 1.00 0.00 C ATOM 83 O ARG A 9 -0.705 -6.719 0.676 1.00 0.00 O ATOM 84 CB ARG A 9 -2.256 -6.423 3.753 1.00 0.00 C ATOM 85 CG ARG A 9 -3.526 -6.218 4.562 1.00 0.00 C ATOM 86 CD ARG A 9 -3.281 -6.432 6.048 1.00 0.00 C ATOM 87 NE ARG A 9 -4.518 -6.711 6.772 1.00 0.00 N ATOM 88 CZ ARG A 9 -4.552 -7.181 8.014 1.00 0.00 C ATOM 89 NH1 ARG A 9 -3.423 -7.421 8.667 1.00 0.00 N ATOM 90 NH2 ARG A 9 -5.717 -7.410 8.606 1.00 0.00 N ATOM 0 H ARG A 9 -2.515 -8.105 1.360 1.00 0.00 H new ATOM 0 HA ARG A 9 -3.061 -5.323 2.091 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -1.886 -7.434 3.923 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -1.490 -5.738 4.116 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -3.905 -5.210 4.396 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -4.295 -6.909 4.216 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -2.586 -7.260 6.185 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -2.807 -5.545 6.469 1.00 0.00 H new ATOM 0 HE ARG A 9 -5.404 -6.535 6.298 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -2.525 -7.245 8.216 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -3.452 -7.782 9.621 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -6.587 -7.225 8.107 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -5.742 -7.771 9.560 1.00 0.00 H new ATOM 104 N ALA A 10 -0.375 -4.960 2.040 1.00 0.00 N ATOM 105 CA ALA A 10 0.935 -4.639 1.489 1.00 0.00 C ATOM 106 C ALA A 10 1.840 -4.019 2.549 1.00 0.00 C ATOM 107 O ALA A 10 1.379 -3.276 3.416 1.00 0.00 O ATOM 108 CB ALA A 10 0.793 -3.700 0.300 1.00 0.00 C ATOM 0 H ALA A 10 -0.681 -4.340 2.790 1.00 0.00 H new ATOM 0 HA ALA A 10 1.396 -5.567 1.152 1.00 0.00 H new ATOM 0 HB1 ALA A 10 1.780 -3.469 -0.101 1.00 0.00 H new ATOM 0 HB2 ALA A 10 0.191 -4.179 -0.472 1.00 0.00 H new ATOM 0 HB3 ALA A 10 0.307 -2.779 0.620 1.00 0.00 H new ATOM 114 N LYS A 11 3.129 -4.330 2.474 1.00 0.00 N ATOM 115 CA LYS A 11 4.100 -3.803 3.427 1.00 0.00 C ATOM 116 C LYS A 11 5.059 -2.833 2.746 1.00 0.00 C ATOM 117 O LYS A 11 5.577 -3.113 1.665 1.00 0.00 O ATOM 118 CB LYS A 11 4.886 -4.948 4.070 1.00 0.00 C ATOM 119 CG LYS A 11 5.746 -4.510 5.244 1.00 0.00 C ATOM 120 CD LYS A 11 6.625 -5.644 5.744 1.00 0.00 C ATOM 121 CE LYS A 11 7.958 -5.680 5.013 1.00 0.00 C ATOM 122 NZ LYS A 11 8.803 -4.498 5.343 1.00 0.00 N ATOM 0 H LYS A 11 3.526 -4.944 1.763 1.00 0.00 H new ATOM 0 HA LYS A 11 3.556 -3.263 4.202 1.00 0.00 H new ATOM 0 HB2 LYS A 11 4.187 -5.713 4.408 1.00 0.00 H new ATOM 0 HB3 LYS A 11 5.523 -5.409 3.315 1.00 0.00 H new ATOM 0 HG2 LYS A 11 6.371 -3.669 4.945 1.00 0.00 H new ATOM 0 HG3 LYS A 11 5.106 -4.160 6.054 1.00 0.00 H new ATOM 0 HD2 LYS A 11 6.799 -5.527 6.814 1.00 0.00 H new ATOM 0 HD3 LYS A 11 6.108 -6.594 5.607 1.00 0.00 H new ATOM 0 HE2 LYS A 11 8.492 -6.593 5.276 1.00 0.00 H new ATOM 0 HE3 LYS A 11 7.782 -5.712 3.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 9.802 -4.725 5.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 8.520 -3.692 4.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 8.677 -4.250 6.345 1.00 0.00 H new ATOM 136 N ALA A 12 5.293 -1.691 3.386 1.00 0.00 N ATOM 137 CA ALA A 12 6.193 -0.682 2.843 1.00 0.00 C ATOM 138 C ALA A 12 7.627 -1.197 2.786 1.00 0.00 C ATOM 139 O ALA A 12 8.104 -1.839 3.724 1.00 0.00 O ATOM 140 CB ALA A 12 6.120 0.591 3.674 1.00 0.00 C ATOM 0 H ALA A 12 4.871 -1.442 4.281 1.00 0.00 H new ATOM 0 HA ALA A 12 5.875 -0.458 1.825 1.00 0.00 H new ATOM 0 HB1 ALA A 12 6.797 1.337 3.258 1.00 0.00 H new ATOM 0 HB2 ALA A 12 5.101 0.978 3.659 1.00 0.00 H new ATOM 0 HB3 ALA A 12 6.409 0.372 4.702 1.00 0.00 H new ATOM 146 N LEU A 13 8.309 -0.915 1.682 1.00 0.00 N ATOM 147 CA LEU A 13 9.689 -1.351 1.503 1.00 0.00 C ATOM 148 C LEU A 13 10.665 -0.284 1.988 1.00 0.00 C ATOM 149 O LEU A 13 11.706 -0.597 2.566 1.00 0.00 O ATOM 150 CB LEU A 13 9.957 -1.672 0.031 1.00 0.00 C ATOM 151 CG LEU A 13 9.222 -2.887 -0.535 1.00 0.00 C ATOM 152 CD1 LEU A 13 9.532 -3.058 -2.014 1.00 0.00 C ATOM 153 CD2 LEU A 13 9.594 -4.144 0.239 1.00 0.00 C ATOM 0 H LEU A 13 7.929 -0.386 0.897 1.00 0.00 H new ATOM 0 HA LEU A 13 9.839 -2.252 2.098 1.00 0.00 H new ATOM 0 HB2 LEU A 13 9.689 -0.800 -0.565 1.00 0.00 H new ATOM 0 HB3 LEU A 13 11.028 -1.828 -0.097 1.00 0.00 H new ATOM 0 HG LEU A 13 8.150 -2.722 -0.427 1.00 0.00 H new ATOM 0 HD11 LEU A 13 9.000 -3.928 -2.399 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.214 -2.168 -2.558 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.604 -3.201 -2.147 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.061 -4.999 -0.178 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.668 -4.313 0.163 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.319 -4.021 1.287 1.00 0.00 H new ATOM 165 N CYS A 14 10.320 0.977 1.751 1.00 0.00 N ATOM 166 CA CYS A 14 11.165 2.092 2.164 1.00 0.00 C ATOM 167 C CYS A 14 10.319 3.281 2.605 1.00 0.00 C ATOM 168 O CYS A 14 9.092 3.200 2.649 1.00 0.00 O ATOM 169 CB CYS A 14 12.094 2.506 1.022 1.00 0.00 C ATOM 170 SG CYS A 14 11.245 3.272 -0.378 1.00 0.00 S ATOM 0 H CYS A 14 9.461 1.253 1.275 1.00 0.00 H new ATOM 0 HA CYS A 14 11.768 1.764 3.011 1.00 0.00 H new ATOM 0 HB2 CYS A 14 12.838 3.203 1.408 1.00 0.00 H new ATOM 0 HB3 CYS A 14 12.633 1.627 0.669 1.00 0.00 H new ATOM 0 HG CYS A 14 12.114 3.589 -1.291 1.00 0.00 H new ATOM 176 N ASN A 15 10.983 4.384 2.933 1.00 0.00 N ATOM 177 CA ASN A 15 10.292 5.591 3.374 1.00 0.00 C ATOM 178 C ASN A 15 9.535 6.236 2.217 1.00 0.00 C ATOM 179 O ASN A 15 10.132 6.643 1.220 1.00 0.00 O ATOM 180 CB ASN A 15 11.290 6.589 3.965 1.00 0.00 C ATOM 181 CG ASN A 15 12.261 5.933 4.927 1.00 0.00 C ATOM 182 OD1 ASN A 15 11.856 5.248 5.866 1.00 0.00 O ATOM 183 ND2 ASN A 15 13.553 6.141 4.697 1.00 0.00 N ATOM 0 H ASN A 15 11.999 4.468 2.902 1.00 0.00 H new ATOM 0 HA ASN A 15 9.574 5.308 4.143 1.00 0.00 H new ATOM 0 HB2 ASN A 15 11.847 7.063 3.157 1.00 0.00 H new ATOM 0 HB3 ASN A 15 10.746 7.379 4.484 1.00 0.00 H new ATOM 0 HD21 ASN A 15 14.254 5.726 5.311 1.00 0.00 H new ATOM 0 HD22 ASN A 15 13.844 6.716 3.906 1.00 0.00 H new ATOM 190 N TYR A 16 8.217 6.328 2.358 1.00 0.00 N ATOM 191 CA TYR A 16 7.377 6.923 1.325 1.00 0.00 C ATOM 192 C TYR A 16 6.586 8.103 1.879 1.00 0.00 C ATOM 193 O TYR A 16 5.702 8.641 1.211 1.00 0.00 O ATOM 194 CB TYR A 16 6.420 5.877 0.751 1.00 0.00 C ATOM 195 CG TYR A 16 6.063 6.113 -0.699 1.00 0.00 C ATOM 196 CD1 TYR A 16 6.972 5.841 -1.713 1.00 0.00 C ATOM 197 CD2 TYR A 16 4.814 6.609 -1.054 1.00 0.00 C ATOM 198 CE1 TYR A 16 6.650 6.057 -3.039 1.00 0.00 C ATOM 199 CE2 TYR A 16 4.482 6.826 -2.378 1.00 0.00 C ATOM 200 CZ TYR A 16 5.404 6.549 -3.366 1.00 0.00 C ATOM 201 OH TYR A 16 5.078 6.764 -4.686 1.00 0.00 O ATOM 0 H TYR A 16 7.707 5.998 3.178 1.00 0.00 H new ATOM 0 HA TYR A 16 8.027 7.287 0.529 1.00 0.00 H new ATOM 0 HB2 TYR A 16 6.873 4.890 0.849 1.00 0.00 H new ATOM 0 HB3 TYR A 16 5.506 5.869 1.345 1.00 0.00 H new ATOM 0 HD1 TYR A 16 7.948 5.454 -1.461 1.00 0.00 H new ATOM 0 HD2 TYR A 16 4.091 6.828 -0.282 1.00 0.00 H new ATOM 0 HE1 TYR A 16 7.370 5.842 -3.815 1.00 0.00 H new ATOM 0 HE2 TYR A 16 3.507 7.210 -2.638 1.00 0.00 H new ATOM 0 HH TYR A 16 5.893 6.752 -5.230 1.00 0.00 H new ATOM 211 N ARG A 17 6.910 8.502 3.104 1.00 0.00 N ATOM 212 CA ARG A 17 6.230 9.618 3.750 1.00 0.00 C ATOM 213 C ARG A 17 6.820 10.950 3.297 1.00 0.00 C ATOM 214 O ARG A 17 6.839 11.922 4.051 1.00 0.00 O ATOM 215 CB ARG A 17 6.331 9.494 5.271 1.00 0.00 C ATOM 216 CG ARG A 17 5.229 10.228 6.017 1.00 0.00 C ATOM 217 CD ARG A 17 4.032 9.324 6.272 1.00 0.00 C ATOM 218 NE ARG A 17 2.798 10.086 6.443 1.00 0.00 N ATOM 219 CZ ARG A 17 1.728 9.619 7.077 1.00 0.00 C ATOM 220 NH1 ARG A 17 1.741 8.399 7.597 1.00 0.00 N ATOM 221 NH2 ARG A 17 0.642 10.372 7.191 1.00 0.00 N ATOM 0 H ARG A 17 7.640 8.069 3.670 1.00 0.00 H new ATOM 0 HA ARG A 17 5.180 9.588 3.459 1.00 0.00 H new ATOM 0 HB2 ARG A 17 6.302 8.439 5.544 1.00 0.00 H new ATOM 0 HB3 ARG A 17 7.297 9.881 5.595 1.00 0.00 H new ATOM 0 HG2 ARG A 17 5.615 10.599 6.966 1.00 0.00 H new ATOM 0 HG3 ARG A 17 4.914 11.097 5.440 1.00 0.00 H new ATOM 0 HD2 ARG A 17 3.917 8.630 5.439 1.00 0.00 H new ATOM 0 HD3 ARG A 17 4.214 8.724 7.164 1.00 0.00 H new ATOM 0 HE ARG A 17 2.755 11.028 6.054 1.00 0.00 H new ATOM 0 HH11 ARG A 17 2.574 7.817 7.511 1.00 0.00 H new ATOM 0 HH12 ARG A 17 0.918 8.043 8.083 1.00 0.00 H new ATOM 0 HH21 ARG A 17 0.628 11.310 6.792 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -0.179 10.013 7.678 1.00 0.00 H new ATOM 235 N GLY A 18 7.303 10.987 2.058 1.00 0.00 N ATOM 236 CA GLY A 18 7.889 12.204 1.526 1.00 0.00 C ATOM 237 C GLY A 18 6.846 13.153 0.968 1.00 0.00 C ATOM 238 O GLY A 18 5.732 13.236 1.484 1.00 0.00 O ATOM 0 H GLY A 18 7.299 10.196 1.414 1.00 0.00 H new ATOM 0 HA2 GLY A 18 8.450 12.708 2.313 1.00 0.00 H new ATOM 0 HA3 GLY A 18 8.600 11.948 0.741 1.00 0.00 H new ATOM 242 N LYS A 19 7.209 13.873 -0.088 1.00 0.00 N ATOM 243 CA LYS A 19 6.298 14.821 -0.717 1.00 0.00 C ATOM 244 C LYS A 19 5.955 14.386 -2.138 1.00 0.00 C ATOM 245 O LYS A 19 6.782 14.482 -3.043 1.00 0.00 O ATOM 246 CB LYS A 19 6.920 16.220 -0.737 1.00 0.00 C ATOM 247 CG LYS A 19 6.588 17.050 0.491 1.00 0.00 C ATOM 248 CD LYS A 19 7.162 16.432 1.754 1.00 0.00 C ATOM 249 CE LYS A 19 8.659 16.679 1.866 1.00 0.00 C ATOM 250 NZ LYS A 19 9.437 15.793 0.956 1.00 0.00 N ATOM 0 H LYS A 19 8.128 13.818 -0.526 1.00 0.00 H new ATOM 0 HA LYS A 19 5.379 14.846 -0.132 1.00 0.00 H new ATOM 0 HB2 LYS A 19 8.003 16.126 -0.820 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.577 16.749 -1.626 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.982 18.059 0.367 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.506 17.140 0.588 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.657 16.849 2.626 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.968 15.359 1.756 1.00 0.00 H new ATOM 0 HE2 LYS A 19 8.874 17.721 1.629 1.00 0.00 H new ATOM 0 HE3 LYS A 19 8.978 16.513 2.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 10.350 15.559 1.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 8.902 14.918 0.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 9.604 16.283 0.054 1.00 0.00 H new ATOM 264 N ASN A 20 4.729 13.908 -2.325 1.00 0.00 N ATOM 265 CA ASN A 20 4.276 13.458 -3.637 1.00 0.00 C ATOM 266 C ASN A 20 2.914 14.054 -3.976 1.00 0.00 C ATOM 267 O ASN A 20 2.136 14.428 -3.097 1.00 0.00 O ATOM 268 CB ASN A 20 4.202 11.931 -3.678 1.00 0.00 C ATOM 269 CG ASN A 20 5.517 11.298 -4.090 1.00 0.00 C ATOM 270 OD1 ASN A 20 6.001 10.368 -3.445 1.00 0.00 O ATOM 271 ND2 ASN A 20 6.102 11.802 -5.170 1.00 0.00 N ATOM 0 H ASN A 20 4.032 13.822 -1.586 1.00 0.00 H new ATOM 0 HA ASN A 20 4.997 13.800 -4.380 1.00 0.00 H new ATOM 0 HB2 ASN A 20 3.915 11.558 -2.695 1.00 0.00 H new ATOM 0 HB3 ASN A 20 3.421 11.627 -4.375 1.00 0.00 H new ATOM 0 HD21 ASN A 20 6.989 11.418 -5.496 1.00 0.00 H new ATOM 0 HD22 ASN A 20 5.664 12.573 -5.674 1.00 0.00 H new ATOM 278 N PRO A 21 2.616 14.146 -5.280 1.00 0.00 N ATOM 279 CA PRO A 21 1.346 14.695 -5.766 1.00 0.00 C ATOM 280 C PRO A 21 0.165 13.781 -5.460 1.00 0.00 C ATOM 281 O PRO A 21 0.129 12.630 -5.893 1.00 0.00 O ATOM 282 CB PRO A 21 1.561 14.803 -7.277 1.00 0.00 C ATOM 283 CG PRO A 21 2.597 13.779 -7.587 1.00 0.00 C ATOM 284 CD PRO A 21 3.495 13.721 -6.382 1.00 0.00 C ATOM 0 HA PRO A 21 1.103 15.644 -5.288 1.00 0.00 H new ATOM 0 HB2 PRO A 21 0.638 14.610 -7.823 1.00 0.00 H new ATOM 0 HB3 PRO A 21 1.895 15.802 -7.559 1.00 0.00 H new ATOM 0 HG2 PRO A 21 2.141 12.808 -7.781 1.00 0.00 H new ATOM 0 HG3 PRO A 21 3.159 14.051 -8.480 1.00 0.00 H new ATOM 0 HD2 PRO A 21 3.885 12.716 -6.220 1.00 0.00 H new ATOM 0 HD3 PRO A 21 4.354 14.383 -6.489 1.00 0.00 H new ATOM 292 N GLY A 22 -0.803 14.301 -4.711 1.00 0.00 N ATOM 293 CA GLY A 22 -1.973 13.518 -4.360 1.00 0.00 C ATOM 294 C GLY A 22 -1.649 12.051 -4.158 1.00 0.00 C ATOM 295 O GLY A 22 -2.359 11.177 -4.656 1.00 0.00 O ATOM 0 H GLY A 22 -0.797 15.251 -4.341 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -2.414 13.919 -3.447 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.722 13.617 -5.146 1.00 0.00 H new ATOM 299 N ASP A 23 -0.573 11.779 -3.428 1.00 0.00 N ATOM 300 CA ASP A 23 -0.156 10.407 -3.162 1.00 0.00 C ATOM 301 C ASP A 23 -0.364 10.051 -1.694 1.00 0.00 C ATOM 302 O ASP A 23 -0.844 10.869 -0.907 1.00 0.00 O ATOM 303 CB ASP A 23 1.313 10.215 -3.543 1.00 0.00 C ATOM 304 CG ASP A 23 1.501 9.992 -5.031 1.00 0.00 C ATOM 305 OD1 ASP A 23 1.303 8.847 -5.489 1.00 0.00 O ATOM 306 OD2 ASP A 23 1.845 10.962 -5.738 1.00 0.00 O ATOM 0 H ASP A 23 0.026 12.490 -3.010 1.00 0.00 H new ATOM 0 HA ASP A 23 -0.771 9.742 -3.769 1.00 0.00 H new ATOM 0 HB2 ASP A 23 1.883 11.092 -3.235 1.00 0.00 H new ATOM 0 HB3 ASP A 23 1.719 9.363 -2.997 1.00 0.00 H new ATOM 311 N LEU A 24 -0.001 8.826 -1.330 1.00 0.00 N ATOM 312 CA LEU A 24 -0.149 8.360 0.044 1.00 0.00 C ATOM 313 C LEU A 24 1.204 8.297 0.746 1.00 0.00 C ATOM 314 O LEU A 24 2.128 7.631 0.278 1.00 0.00 O ATOM 315 CB LEU A 24 -0.814 6.983 0.068 1.00 0.00 C ATOM 316 CG LEU A 24 -1.522 6.602 1.369 1.00 0.00 C ATOM 317 CD1 LEU A 24 -2.611 5.574 1.102 1.00 0.00 C ATOM 318 CD2 LEU A 24 -0.521 6.070 2.385 1.00 0.00 C ATOM 0 H LEU A 24 0.398 8.137 -1.968 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.781 9.071 0.577 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -1.540 6.938 -0.744 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.054 6.231 -0.142 1.00 0.00 H new ATOM 0 HG LEU A 24 -1.988 7.496 1.782 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.104 5.315 2.039 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.343 5.991 0.410 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -2.167 4.679 0.666 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.042 5.804 3.304 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.026 5.187 1.980 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.223 6.837 2.599 1.00 0.00 H new ATOM 330 N LYS A 25 1.313 8.992 1.873 1.00 0.00 N ATOM 331 CA LYS A 25 2.551 9.013 2.643 1.00 0.00 C ATOM 332 C LYS A 25 2.573 7.884 3.668 1.00 0.00 C ATOM 333 O LYS A 25 1.676 7.772 4.503 1.00 0.00 O ATOM 334 CB LYS A 25 2.714 10.361 3.349 1.00 0.00 C ATOM 335 CG LYS A 25 3.178 11.477 2.430 1.00 0.00 C ATOM 336 CD LYS A 25 3.055 12.837 3.097 1.00 0.00 C ATOM 337 CE LYS A 25 1.614 13.323 3.110 1.00 0.00 C ATOM 338 NZ LYS A 25 1.268 14.066 1.867 1.00 0.00 N ATOM 0 H LYS A 25 0.558 9.549 2.274 1.00 0.00 H new ATOM 0 HA LYS A 25 3.382 8.869 1.952 1.00 0.00 H new ATOM 0 HB2 LYS A 25 1.762 10.644 3.798 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.430 10.251 4.163 1.00 0.00 H new ATOM 0 HG2 LYS A 25 4.215 11.305 2.142 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.587 11.465 1.514 1.00 0.00 H new ATOM 0 HD2 LYS A 25 3.429 12.777 4.119 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.679 13.559 2.571 1.00 0.00 H new ATOM 0 HE2 LYS A 25 0.944 12.470 3.222 1.00 0.00 H new ATOM 0 HE3 LYS A 25 1.456 13.968 3.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 0.278 14.380 1.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 1.890 14.894 1.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 1.394 13.443 1.044 1.00 0.00 H new ATOM 352 N PHE A 26 3.605 7.049 3.600 1.00 0.00 N ATOM 353 CA PHE A 26 3.745 5.929 4.523 1.00 0.00 C ATOM 354 C PHE A 26 5.209 5.705 4.889 1.00 0.00 C ATOM 355 O PHE A 26 6.111 6.108 4.157 1.00 0.00 O ATOM 356 CB PHE A 26 3.161 4.657 3.906 1.00 0.00 C ATOM 357 CG PHE A 26 3.836 4.246 2.628 1.00 0.00 C ATOM 358 CD1 PHE A 26 4.960 3.438 2.651 1.00 0.00 C ATOM 359 CD2 PHE A 26 3.345 4.670 1.403 1.00 0.00 C ATOM 360 CE1 PHE A 26 5.583 3.058 1.477 1.00 0.00 C ATOM 361 CE2 PHE A 26 3.963 4.294 0.226 1.00 0.00 C ATOM 362 CZ PHE A 26 5.084 3.488 0.263 1.00 0.00 C ATOM 0 H PHE A 26 4.357 7.127 2.915 1.00 0.00 H new ATOM 0 HA PHE A 26 3.195 6.169 5.433 1.00 0.00 H new ATOM 0 HB2 PHE A 26 3.240 3.844 4.627 1.00 0.00 H new ATOM 0 HB3 PHE A 26 2.099 4.810 3.714 1.00 0.00 H new ATOM 0 HD1 PHE A 26 5.355 3.100 3.598 1.00 0.00 H new ATOM 0 HD2 PHE A 26 2.469 5.301 1.368 1.00 0.00 H new ATOM 0 HE1 PHE A 26 6.458 2.426 1.509 1.00 0.00 H new ATOM 0 HE2 PHE A 26 3.570 4.630 -0.722 1.00 0.00 H new ATOM 0 HZ PHE A 26 5.570 3.194 -0.656 1.00 0.00 H new ATOM 372 N ASN A 27 5.436 5.059 6.029 1.00 0.00 N ATOM 373 CA ASN A 27 6.790 4.782 6.494 1.00 0.00 C ATOM 374 C ASN A 27 7.138 3.309 6.306 1.00 0.00 C ATOM 375 O ASN A 27 6.273 2.438 6.399 1.00 0.00 O ATOM 376 CB ASN A 27 6.934 5.168 7.967 1.00 0.00 C ATOM 377 CG ASN A 27 6.610 6.629 8.217 1.00 0.00 C ATOM 378 OD1 ASN A 27 7.362 7.519 7.820 1.00 0.00 O ATOM 379 ND2 ASN A 27 5.486 6.881 8.877 1.00 0.00 N ATOM 0 H ASN A 27 4.700 4.718 6.647 1.00 0.00 H new ATOM 0 HA ASN A 27 7.482 5.379 5.900 1.00 0.00 H new ATOM 0 HB2 ASN A 27 6.274 4.544 8.569 1.00 0.00 H new ATOM 0 HB3 ASN A 27 7.953 4.963 8.295 1.00 0.00 H new ATOM 0 HD21 ASN A 27 5.215 7.844 9.074 1.00 0.00 H new ATOM 0 HD22 ASN A 27 4.893 6.111 9.187 1.00 0.00 H new ATOM 386 N LYS A 28 8.412 3.037 6.043 1.00 0.00 N ATOM 387 CA LYS A 28 8.878 1.669 5.844 1.00 0.00 C ATOM 388 C LYS A 28 8.336 0.747 6.931 1.00 0.00 C ATOM 389 O LYS A 28 8.353 1.087 8.113 1.00 0.00 O ATOM 390 CB LYS A 28 10.407 1.625 5.838 1.00 0.00 C ATOM 391 CG LYS A 28 10.975 0.227 5.670 1.00 0.00 C ATOM 392 CD LYS A 28 12.376 0.120 6.248 1.00 0.00 C ATOM 393 CE LYS A 28 13.134 -1.060 5.660 1.00 0.00 C ATOM 394 NZ LYS A 28 14.518 -1.156 6.201 1.00 0.00 N ATOM 0 H LYS A 28 9.141 3.746 5.963 1.00 0.00 H new ATOM 0 HA LYS A 28 8.507 1.322 4.880 1.00 0.00 H new ATOM 0 HB2 LYS A 28 10.777 2.258 5.031 1.00 0.00 H new ATOM 0 HB3 LYS A 28 10.778 2.049 6.771 1.00 0.00 H new ATOM 0 HG2 LYS A 28 10.322 -0.493 6.162 1.00 0.00 H new ATOM 0 HG3 LYS A 28 10.996 -0.033 4.612 1.00 0.00 H new ATOM 0 HD2 LYS A 28 12.924 1.041 6.049 1.00 0.00 H new ATOM 0 HD3 LYS A 28 12.316 0.012 7.331 1.00 0.00 H new ATOM 0 HE2 LYS A 28 12.595 -1.982 5.877 1.00 0.00 H new ATOM 0 HE3 LYS A 28 13.174 -0.962 4.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 15.001 -1.973 5.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 15.041 -0.287 5.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 14.480 -1.276 7.233 1.00 0.00 H new ATOM 408 N GLY A 29 7.856 -0.424 6.522 1.00 0.00 N ATOM 409 CA GLY A 29 7.318 -1.378 7.474 1.00 0.00 C ATOM 410 C GLY A 29 5.807 -1.306 7.575 1.00 0.00 C ATOM 411 O GLY A 29 5.133 -2.334 7.650 1.00 0.00 O ATOM 0 H GLY A 29 7.830 -0.729 5.549 1.00 0.00 H new ATOM 0 HA2 GLY A 29 7.612 -2.386 7.180 1.00 0.00 H new ATOM 0 HA3 GLY A 29 7.754 -1.193 8.456 1.00 0.00 H new ATOM 415 N ASP A 30 5.273 -0.090 7.580 1.00 0.00 N ATOM 416 CA ASP A 30 3.832 0.112 7.674 1.00 0.00 C ATOM 417 C ASP A 30 3.088 -0.837 6.740 1.00 0.00 C ATOM 418 O ASP A 30 3.526 -1.091 5.618 1.00 0.00 O ATOM 419 CB ASP A 30 3.476 1.561 7.337 1.00 0.00 C ATOM 420 CG ASP A 30 3.826 2.519 8.459 1.00 0.00 C ATOM 421 OD1 ASP A 30 3.639 2.148 9.636 1.00 0.00 O ATOM 422 OD2 ASP A 30 4.289 3.639 8.159 1.00 0.00 O ATOM 0 H ASP A 30 5.816 0.771 7.520 1.00 0.00 H new ATOM 0 HA ASP A 30 3.526 -0.101 8.698 1.00 0.00 H new ATOM 0 HB2 ASP A 30 4.002 1.860 6.430 1.00 0.00 H new ATOM 0 HB3 ASP A 30 2.409 1.630 7.124 1.00 0.00 H new ATOM 427 N VAL A 31 1.961 -1.361 7.212 1.00 0.00 N ATOM 428 CA VAL A 31 1.156 -2.283 6.420 1.00 0.00 C ATOM 429 C VAL A 31 -0.140 -1.624 5.959 1.00 0.00 C ATOM 430 O VAL A 31 -1.054 -1.405 6.754 1.00 0.00 O ATOM 431 CB VAL A 31 0.816 -3.557 7.216 1.00 0.00 C ATOM 432 CG1 VAL A 31 -0.130 -4.446 6.422 1.00 0.00 C ATOM 433 CG2 VAL A 31 2.086 -4.309 7.583 1.00 0.00 C ATOM 0 H VAL A 31 1.585 -1.162 8.139 1.00 0.00 H new ATOM 0 HA VAL A 31 1.752 -2.556 5.549 1.00 0.00 H new ATOM 0 HB VAL A 31 0.314 -3.266 8.139 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.359 -5.341 7.000 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.052 -3.902 6.214 1.00 0.00 H new ATOM 0 HG13 VAL A 31 0.342 -4.732 5.482 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.828 -5.207 8.145 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.618 -4.590 6.674 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.724 -3.670 8.193 1.00 0.00 H new ATOM 443 N ILE A 32 -0.211 -1.312 4.670 1.00 0.00 N ATOM 444 CA ILE A 32 -1.396 -0.679 4.102 1.00 0.00 C ATOM 445 C ILE A 32 -2.410 -1.723 3.645 1.00 0.00 C ATOM 446 O ILE A 32 -2.044 -2.757 3.085 1.00 0.00 O ATOM 447 CB ILE A 32 -1.034 0.226 2.909 1.00 0.00 C ATOM 448 CG1 ILE A 32 0.023 1.252 3.322 1.00 0.00 C ATOM 449 CG2 ILE A 32 -2.277 0.923 2.378 1.00 0.00 C ATOM 450 CD1 ILE A 32 0.899 1.710 2.177 1.00 0.00 C ATOM 0 H ILE A 32 0.537 -1.487 3.999 1.00 0.00 H new ATOM 0 HA ILE A 32 -1.836 -0.068 4.890 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.620 -0.394 2.113 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.474 2.119 3.758 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.652 0.820 4.100 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -2.006 1.559 1.535 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -3.001 0.177 2.051 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.717 1.534 3.167 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.625 2.436 2.542 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.424 0.853 1.755 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.280 2.171 1.407 1.00 0.00 H new ATOM 462 N LEU A 33 -3.686 -1.443 3.885 1.00 0.00 N ATOM 463 CA LEU A 33 -4.755 -2.357 3.496 1.00 0.00 C ATOM 464 C LEU A 33 -5.287 -2.014 2.109 1.00 0.00 C ATOM 465 O LEU A 33 -5.729 -0.891 1.861 1.00 0.00 O ATOM 466 CB LEU A 33 -5.893 -2.306 4.518 1.00 0.00 C ATOM 467 CG LEU A 33 -5.644 -3.038 5.837 1.00 0.00 C ATOM 468 CD1 LEU A 33 -4.985 -2.111 6.846 1.00 0.00 C ATOM 469 CD2 LEU A 33 -6.947 -3.594 6.392 1.00 0.00 C ATOM 0 H LEU A 33 -4.006 -0.591 4.347 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.344 -3.366 3.468 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.108 -1.261 4.741 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.788 -2.724 4.057 1.00 0.00 H new ATOM 0 HG LEU A 33 -4.968 -3.872 5.646 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.816 -2.650 7.778 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.031 -1.762 6.450 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.635 -1.256 7.034 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.751 -4.112 7.331 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.646 -2.776 6.568 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.379 -4.293 5.676 1.00 0.00 H new ATOM 481 N LEU A 34 -5.244 -2.988 1.207 1.00 0.00 N ATOM 482 CA LEU A 34 -5.724 -2.790 -0.157 1.00 0.00 C ATOM 483 C LEU A 34 -7.229 -2.546 -0.174 1.00 0.00 C ATOM 484 O LEU A 34 -8.016 -3.433 0.157 1.00 0.00 O ATOM 485 CB LEU A 34 -5.383 -4.006 -1.020 1.00 0.00 C ATOM 486 CG LEU A 34 -3.930 -4.114 -1.484 1.00 0.00 C ATOM 487 CD1 LEU A 34 -3.676 -5.463 -2.138 1.00 0.00 C ATOM 488 CD2 LEU A 34 -3.591 -2.982 -2.444 1.00 0.00 C ATOM 0 H LEU A 34 -4.882 -3.923 1.395 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.227 -1.911 -0.567 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.632 -4.906 -0.458 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -6.025 -3.993 -1.901 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.283 -4.030 -0.611 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.637 -5.521 -2.461 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.877 -6.259 -1.421 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -4.332 -5.578 -3.001 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.553 -3.075 -2.764 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -4.245 -3.035 -3.314 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.732 -2.025 -1.942 1.00 0.00 H new ATOM 500 N ARG A 35 -7.623 -1.338 -0.565 1.00 0.00 N ATOM 501 CA ARG A 35 -9.034 -0.978 -0.627 1.00 0.00 C ATOM 502 C ARG A 35 -9.542 -1.013 -2.066 1.00 0.00 C ATOM 503 O ARG A 35 -10.638 -1.502 -2.336 1.00 0.00 O ATOM 504 CB ARG A 35 -9.254 0.414 -0.031 1.00 0.00 C ATOM 505 CG ARG A 35 -10.648 0.969 -0.276 1.00 0.00 C ATOM 506 CD ARG A 35 -11.714 0.104 0.377 1.00 0.00 C ATOM 507 NE ARG A 35 -11.977 0.507 1.756 1.00 0.00 N ATOM 508 CZ ARG A 35 -11.286 0.058 2.797 1.00 0.00 C ATOM 509 NH1 ARG A 35 -10.295 -0.804 2.617 1.00 0.00 N ATOM 510 NH2 ARG A 35 -11.585 0.472 4.022 1.00 0.00 N ATOM 0 H ARG A 35 -6.985 -0.593 -0.843 1.00 0.00 H new ATOM 0 HA ARG A 35 -9.595 -1.708 -0.044 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -9.072 0.373 1.043 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -8.520 1.100 -0.452 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -10.711 1.984 0.116 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -10.834 1.030 -1.348 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -12.636 0.167 -0.201 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -11.396 -0.939 0.358 1.00 0.00 H new ATOM 0 HE ARG A 35 -12.733 1.170 1.929 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -10.062 -1.124 1.677 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -9.766 -1.147 3.419 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -12.346 1.136 4.164 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -11.054 0.126 4.821 1.00 0.00 H new ATOM 524 N ARG A 36 -8.737 -0.489 -2.984 1.00 0.00 N ATOM 525 CA ARG A 36 -9.105 -0.459 -4.395 1.00 0.00 C ATOM 526 C ARG A 36 -7.873 -0.620 -5.282 1.00 0.00 C ATOM 527 O ARG A 36 -6.886 0.096 -5.124 1.00 0.00 O ATOM 528 CB ARG A 36 -9.819 0.852 -4.729 1.00 0.00 C ATOM 529 CG ARG A 36 -10.295 0.936 -6.170 1.00 0.00 C ATOM 530 CD ARG A 36 -10.906 2.294 -6.477 1.00 0.00 C ATOM 531 NE ARG A 36 -11.583 2.310 -7.771 1.00 0.00 N ATOM 532 CZ ARG A 36 -12.356 3.308 -8.183 1.00 0.00 C ATOM 533 NH1 ARG A 36 -12.550 4.366 -7.407 1.00 0.00 N ATOM 534 NH2 ARG A 36 -12.938 3.250 -9.374 1.00 0.00 N ATOM 0 H ARG A 36 -7.826 -0.080 -2.777 1.00 0.00 H new ATOM 0 HA ARG A 36 -9.781 -1.293 -4.587 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -10.675 0.969 -4.065 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -9.144 1.685 -4.529 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -9.457 0.753 -6.842 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -11.031 0.154 -6.357 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -11.616 2.557 -5.693 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -10.124 3.054 -6.467 1.00 0.00 H new ATOM 0 HE ARG A 36 -11.455 1.511 -8.392 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -12.105 4.415 -6.491 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -13.144 5.131 -7.727 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -12.792 2.438 -9.974 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -13.532 4.017 -9.689 1.00 0.00 H new ATOM 548 N GLN A 37 -7.941 -1.566 -6.213 1.00 0.00 N ATOM 549 CA GLN A 37 -6.831 -1.822 -7.123 1.00 0.00 C ATOM 550 C GLN A 37 -7.074 -1.161 -8.476 1.00 0.00 C ATOM 551 O GLN A 37 -7.732 -1.730 -9.348 1.00 0.00 O ATOM 552 CB GLN A 37 -6.631 -3.327 -7.306 1.00 0.00 C ATOM 553 CG GLN A 37 -5.419 -3.681 -8.154 1.00 0.00 C ATOM 554 CD GLN A 37 -5.591 -4.988 -8.901 1.00 0.00 C ATOM 555 OE1 GLN A 37 -6.242 -5.914 -8.415 1.00 0.00 O ATOM 556 NE2 GLN A 37 -5.008 -5.072 -10.091 1.00 0.00 N ATOM 0 H GLN A 37 -8.752 -2.167 -6.357 1.00 0.00 H new ATOM 0 HA GLN A 37 -5.929 -1.393 -6.686 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -6.527 -3.793 -6.326 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -7.523 -3.750 -7.767 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -5.234 -2.880 -8.869 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -4.539 -3.746 -7.514 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -4.478 -4.281 -10.456 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -5.090 -5.928 -10.640 1.00 0.00 H new ATOM 565 N LEU A 38 -6.539 0.043 -8.645 1.00 0.00 N ATOM 566 CA LEU A 38 -6.697 0.783 -9.893 1.00 0.00 C ATOM 567 C LEU A 38 -5.991 0.070 -11.042 1.00 0.00 C ATOM 568 O LEU A 38 -6.510 0.004 -12.157 1.00 0.00 O ATOM 569 CB LEU A 38 -6.144 2.201 -9.741 1.00 0.00 C ATOM 570 CG LEU A 38 -6.687 3.011 -8.563 1.00 0.00 C ATOM 571 CD1 LEU A 38 -5.769 4.184 -8.254 1.00 0.00 C ATOM 572 CD2 LEU A 38 -8.098 3.497 -8.855 1.00 0.00 C ATOM 0 H LEU A 38 -5.992 0.528 -7.934 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.761 0.837 -10.123 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.060 2.138 -9.644 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -6.350 2.750 -10.660 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.722 2.364 -7.687 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -6.171 4.749 -7.413 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.776 3.812 -8.000 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.701 4.833 -9.127 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -8.468 4.071 -8.006 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -8.089 4.128 -9.744 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -8.750 2.640 -9.025 1.00 0.00 H new ATOM 584 N ASP A 39 -4.808 -0.465 -10.762 1.00 0.00 N ATOM 585 CA ASP A 39 -4.032 -1.177 -11.771 1.00 0.00 C ATOM 586 C ASP A 39 -2.935 -2.014 -11.122 1.00 0.00 C ATOM 587 O ASP A 39 -2.633 -1.850 -9.940 1.00 0.00 O ATOM 588 CB ASP A 39 -3.418 -0.189 -12.763 1.00 0.00 C ATOM 589 CG ASP A 39 -4.450 0.412 -13.697 1.00 0.00 C ATOM 590 OD1 ASP A 39 -4.909 -0.302 -14.612 1.00 0.00 O ATOM 591 OD2 ASP A 39 -4.798 1.598 -13.512 1.00 0.00 O ATOM 0 H ASP A 39 -4.365 -0.419 -9.844 1.00 0.00 H new ATOM 0 HA ASP A 39 -4.705 -1.846 -12.307 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.920 0.610 -12.214 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -2.653 -0.697 -13.350 1.00 0.00 H new ATOM 596 N GLU A 40 -2.343 -2.913 -11.903 1.00 0.00 N ATOM 597 CA GLU A 40 -1.281 -3.777 -11.402 1.00 0.00 C ATOM 598 C GLU A 40 -0.007 -2.979 -11.143 1.00 0.00 C ATOM 599 O GLU A 40 0.999 -3.524 -10.690 1.00 0.00 O ATOM 600 CB GLU A 40 -0.996 -4.903 -12.399 1.00 0.00 C ATOM 601 CG GLU A 40 -2.236 -5.679 -12.811 1.00 0.00 C ATOM 602 CD GLU A 40 -1.921 -7.101 -13.231 1.00 0.00 C ATOM 603 OE1 GLU A 40 -1.229 -7.277 -14.257 1.00 0.00 O ATOM 604 OE2 GLU A 40 -2.365 -8.038 -12.536 1.00 0.00 O ATOM 0 H GLU A 40 -2.581 -3.061 -12.884 1.00 0.00 H new ATOM 0 HA GLU A 40 -1.615 -4.211 -10.460 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -0.530 -4.480 -13.289 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -0.275 -5.593 -11.959 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -2.941 -5.697 -11.980 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -2.727 -5.161 -13.635 1.00 0.00 H new ATOM 611 N ASN A 41 -0.058 -1.683 -11.433 1.00 0.00 N ATOM 612 CA ASN A 41 1.092 -0.808 -11.232 1.00 0.00 C ATOM 613 C ASN A 41 0.903 0.063 -9.994 1.00 0.00 C ATOM 614 O ASN A 41 1.871 0.430 -9.328 1.00 0.00 O ATOM 615 CB ASN A 41 1.308 0.075 -12.463 1.00 0.00 C ATOM 616 CG ASN A 41 1.402 -0.731 -13.744 1.00 0.00 C ATOM 617 OD1 ASN A 41 2.481 -0.882 -14.317 1.00 0.00 O ATOM 618 ND2 ASN A 41 0.270 -1.254 -14.199 1.00 0.00 N ATOM 0 H ASN A 41 -0.883 -1.215 -11.808 1.00 0.00 H new ATOM 0 HA ASN A 41 1.972 -1.434 -11.083 1.00 0.00 H new ATOM 0 HB2 ASN A 41 0.487 0.787 -12.545 1.00 0.00 H new ATOM 0 HB3 ASN A 41 2.222 0.656 -12.334 1.00 0.00 H new ATOM 0 HD21 ASN A 41 0.272 -1.807 -15.056 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -0.602 -1.103 -13.691 1.00 0.00 H new ATOM 625 N TRP A 42 -0.348 0.389 -9.692 1.00 0.00 N ATOM 626 CA TRP A 42 -0.664 1.216 -8.533 1.00 0.00 C ATOM 627 C TRP A 42 -1.767 0.580 -7.694 1.00 0.00 C ATOM 628 O TRP A 42 -2.649 -0.097 -8.222 1.00 0.00 O ATOM 629 CB TRP A 42 -1.090 2.616 -8.981 1.00 0.00 C ATOM 630 CG TRP A 42 0.035 3.424 -9.553 1.00 0.00 C ATOM 631 CD1 TRP A 42 0.650 3.235 -10.758 1.00 0.00 C ATOM 632 CD2 TRP A 42 0.680 4.547 -8.943 1.00 0.00 C ATOM 633 NE1 TRP A 42 1.638 4.174 -10.933 1.00 0.00 N ATOM 634 CE2 TRP A 42 1.676 4.991 -9.835 1.00 0.00 C ATOM 635 CE3 TRP A 42 0.512 5.223 -7.731 1.00 0.00 C ATOM 636 CZ2 TRP A 42 2.499 6.077 -9.550 1.00 0.00 C ATOM 637 CZ3 TRP A 42 1.330 6.301 -7.451 1.00 0.00 C ATOM 638 CH2 TRP A 42 2.313 6.720 -8.357 1.00 0.00 C ATOM 0 H TRP A 42 -1.160 0.093 -10.233 1.00 0.00 H new ATOM 0 HA TRP A 42 0.233 1.295 -7.919 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -1.880 2.526 -9.727 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -1.514 3.149 -8.130 1.00 0.00 H new ATOM 0 HD1 TRP A 42 0.397 2.462 -11.468 1.00 0.00 H new ATOM 0 HE1 TRP A 42 2.245 4.250 -11.749 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -0.243 4.908 -7.026 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 3.258 6.401 -10.247 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 1.209 6.830 -6.517 1.00 0.00 H new ATOM 0 HH2 TRP A 42 2.936 7.567 -8.109 1.00 0.00 H new ATOM 649 N TYR A 43 -1.711 0.801 -6.386 1.00 0.00 N ATOM 650 CA TYR A 43 -2.704 0.247 -5.474 1.00 0.00 C ATOM 651 C TYR A 43 -3.241 1.323 -4.534 1.00 0.00 C ATOM 652 O TYR A 43 -2.474 2.072 -3.930 1.00 0.00 O ATOM 653 CB TYR A 43 -2.099 -0.899 -4.662 1.00 0.00 C ATOM 654 CG TYR A 43 -1.620 -2.055 -5.510 1.00 0.00 C ATOM 655 CD1 TYR A 43 -2.422 -2.587 -6.512 1.00 0.00 C ATOM 656 CD2 TYR A 43 -0.363 -2.615 -5.311 1.00 0.00 C ATOM 657 CE1 TYR A 43 -1.989 -3.644 -7.289 1.00 0.00 C ATOM 658 CE2 TYR A 43 0.079 -3.671 -6.085 1.00 0.00 C ATOM 659 CZ TYR A 43 -0.738 -4.182 -7.072 1.00 0.00 C ATOM 660 OH TYR A 43 -0.302 -5.233 -7.845 1.00 0.00 O ATOM 0 H TYR A 43 -0.988 1.360 -5.933 1.00 0.00 H new ATOM 0 HA TYR A 43 -3.532 -0.137 -6.070 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -1.262 -0.517 -4.078 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -2.843 -1.263 -3.953 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -3.401 -2.167 -6.687 1.00 0.00 H new ATOM 0 HD2 TYR A 43 0.279 -2.218 -4.538 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -2.627 -4.047 -8.062 1.00 0.00 H new ATOM 0 HE2 TYR A 43 1.059 -4.094 -5.918 1.00 0.00 H new ATOM 0 HH TYR A 43 0.600 -5.493 -7.565 1.00 0.00 H new ATOM 670 N GLN A 44 -4.563 1.390 -4.416 1.00 0.00 N ATOM 671 CA GLN A 44 -5.203 2.373 -3.550 1.00 0.00 C ATOM 672 C GLN A 44 -5.577 1.755 -2.208 1.00 0.00 C ATOM 673 O GLN A 44 -6.345 0.796 -2.147 1.00 0.00 O ATOM 674 CB GLN A 44 -6.450 2.945 -4.227 1.00 0.00 C ATOM 675 CG GLN A 44 -7.069 4.113 -3.476 1.00 0.00 C ATOM 676 CD GLN A 44 -8.344 4.614 -4.125 1.00 0.00 C ATOM 677 OE1 GLN A 44 -8.323 5.133 -5.242 1.00 0.00 O ATOM 678 NE2 GLN A 44 -9.463 4.463 -3.427 1.00 0.00 N ATOM 0 H GLN A 44 -5.211 0.776 -4.909 1.00 0.00 H new ATOM 0 HA GLN A 44 -4.492 3.180 -3.372 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -6.190 3.269 -5.235 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -7.193 2.154 -4.328 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -7.283 3.809 -2.451 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -6.348 4.929 -3.423 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -9.434 4.027 -2.505 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -10.352 4.783 -3.813 1.00 0.00 H new ATOM 687 N GLY A 45 -5.028 2.311 -1.132 1.00 0.00 N ATOM 688 CA GLY A 45 -5.316 1.800 0.196 1.00 0.00 C ATOM 689 C GLY A 45 -5.575 2.906 1.199 1.00 0.00 C ATOM 690 O GLY A 45 -5.813 4.052 0.820 1.00 0.00 O ATOM 0 H GLY A 45 -4.389 3.106 -1.156 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -6.186 1.145 0.149 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -4.478 1.193 0.538 1.00 0.00 H new ATOM 694 N GLU A 46 -5.530 2.562 2.482 1.00 0.00 N ATOM 695 CA GLU A 46 -5.765 3.535 3.542 1.00 0.00 C ATOM 696 C GLU A 46 -4.881 3.246 4.752 1.00 0.00 C ATOM 697 O GLU A 46 -4.817 2.113 5.231 1.00 0.00 O ATOM 698 CB GLU A 46 -7.237 3.524 3.959 1.00 0.00 C ATOM 699 CG GLU A 46 -7.509 4.265 5.257 1.00 0.00 C ATOM 700 CD GLU A 46 -8.985 4.320 5.600 1.00 0.00 C ATOM 701 OE1 GLU A 46 -9.714 3.372 5.241 1.00 0.00 O ATOM 702 OE2 GLU A 46 -9.410 5.312 6.228 1.00 0.00 O ATOM 0 H GLU A 46 -5.333 1.617 2.812 1.00 0.00 H new ATOM 0 HA GLU A 46 -5.512 4.522 3.155 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -7.834 3.971 3.164 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -7.568 2.491 4.064 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -6.969 3.778 6.069 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -7.120 5.280 5.180 1.00 0.00 H new ATOM 709 N ILE A 47 -4.201 4.278 5.240 1.00 0.00 N ATOM 710 CA ILE A 47 -3.321 4.135 6.394 1.00 0.00 C ATOM 711 C ILE A 47 -3.597 5.216 7.433 1.00 0.00 C ATOM 712 O ILE A 47 -3.591 6.406 7.122 1.00 0.00 O ATOM 713 CB ILE A 47 -1.838 4.201 5.982 1.00 0.00 C ATOM 714 CG1 ILE A 47 -0.941 3.857 7.173 1.00 0.00 C ATOM 715 CG2 ILE A 47 -1.501 5.581 5.439 1.00 0.00 C ATOM 716 CD1 ILE A 47 0.478 3.510 6.779 1.00 0.00 C ATOM 0 H ILE A 47 -4.242 5.222 4.855 1.00 0.00 H new ATOM 0 HA ILE A 47 -3.526 3.157 6.828 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.661 3.469 5.194 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.922 4.703 7.860 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.375 3.016 7.714 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.450 5.612 5.152 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -2.121 5.791 4.568 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -1.690 6.330 6.208 1.00 0.00 H new ATOM 0 HD11 ILE A 47 1.057 3.277 7.673 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.470 2.645 6.116 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.930 4.358 6.264 1.00 0.00 H new ATOM 728 N ASN A 48 -3.838 4.793 8.670 1.00 0.00 N ATOM 729 CA ASN A 48 -4.115 5.725 9.756 1.00 0.00 C ATOM 730 C ASN A 48 -5.227 6.696 9.370 1.00 0.00 C ATOM 731 O ASN A 48 -5.114 7.902 9.583 1.00 0.00 O ATOM 732 CB ASN A 48 -2.850 6.502 10.125 1.00 0.00 C ATOM 733 CG ASN A 48 -1.912 5.697 11.003 1.00 0.00 C ATOM 734 OD1 ASN A 48 -2.240 4.588 11.426 1.00 0.00 O ATOM 735 ND2 ASN A 48 -0.739 6.253 11.282 1.00 0.00 N ATOM 0 H ASN A 48 -3.847 3.811 8.945 1.00 0.00 H new ATOM 0 HA ASN A 48 -4.444 5.148 10.620 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -2.328 6.795 9.214 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -3.129 7.420 10.642 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -0.067 5.759 11.869 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -0.510 7.174 10.909 1.00 0.00 H new ATOM 742 N GLY A 49 -6.302 6.160 8.799 1.00 0.00 N ATOM 743 CA GLY A 49 -7.419 6.992 8.392 1.00 0.00 C ATOM 744 C GLY A 49 -7.045 7.969 7.295 1.00 0.00 C ATOM 745 O GLY A 49 -7.580 9.076 7.229 1.00 0.00 O ATOM 0 H GLY A 49 -6.419 5.164 8.611 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -8.234 6.357 8.046 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -7.790 7.544 9.255 1.00 0.00 H new ATOM 749 N VAL A 50 -6.122 7.559 6.430 1.00 0.00 N ATOM 750 CA VAL A 50 -5.676 8.406 5.330 1.00 0.00 C ATOM 751 C VAL A 50 -5.820 7.690 3.992 1.00 0.00 C ATOM 752 O VAL A 50 -5.275 6.604 3.796 1.00 0.00 O ATOM 753 CB VAL A 50 -4.209 8.838 5.513 1.00 0.00 C ATOM 754 CG1 VAL A 50 -3.762 9.718 4.356 1.00 0.00 C ATOM 755 CG2 VAL A 50 -4.027 9.557 6.841 1.00 0.00 C ATOM 0 H VAL A 50 -5.669 6.646 6.470 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.311 9.292 5.335 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.584 7.945 5.521 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.723 10.013 4.503 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.853 9.164 3.422 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -4.389 10.608 4.313 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.985 9.855 6.954 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -4.662 10.442 6.865 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.304 8.889 7.657 1.00 0.00 H new ATOM 765 N SER A 51 -6.557 8.306 3.073 1.00 0.00 N ATOM 766 CA SER A 51 -6.776 7.726 1.754 1.00 0.00 C ATOM 767 C SER A 51 -5.789 8.296 0.739 1.00 0.00 C ATOM 768 O SER A 51 -5.663 9.511 0.594 1.00 0.00 O ATOM 769 CB SER A 51 -8.210 7.987 1.290 1.00 0.00 C ATOM 770 OG SER A 51 -8.522 9.368 1.352 1.00 0.00 O ATOM 0 H SER A 51 -7.012 9.207 3.218 1.00 0.00 H new ATOM 0 HA SER A 51 -6.616 6.650 1.826 1.00 0.00 H new ATOM 0 HB2 SER A 51 -8.336 7.628 0.269 1.00 0.00 H new ATOM 0 HB3 SER A 51 -8.905 7.425 1.914 1.00 0.00 H new ATOM 0 HG SER A 51 -7.698 9.893 1.278 1.00 0.00 H new ATOM 776 N GLY A 52 -5.091 7.408 0.038 1.00 0.00 N ATOM 777 CA GLY A 52 -4.124 7.840 -0.954 1.00 0.00 C ATOM 778 C GLY A 52 -3.667 6.707 -1.850 1.00 0.00 C ATOM 779 O GLY A 52 -4.016 5.548 -1.624 1.00 0.00 O ATOM 0 H GLY A 52 -5.178 6.397 0.139 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.563 8.628 -1.566 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.259 8.272 -0.450 1.00 0.00 H new ATOM 783 N ILE A 53 -2.885 7.041 -2.872 1.00 0.00 N ATOM 784 CA ILE A 53 -2.381 6.042 -3.806 1.00 0.00 C ATOM 785 C ILE A 53 -0.873 5.866 -3.660 1.00 0.00 C ATOM 786 O ILE A 53 -0.180 6.747 -3.152 1.00 0.00 O ATOM 787 CB ILE A 53 -2.704 6.419 -5.263 1.00 0.00 C ATOM 788 CG1 ILE A 53 -2.103 7.784 -5.605 1.00 0.00 C ATOM 789 CG2 ILE A 53 -4.209 6.427 -5.487 1.00 0.00 C ATOM 790 CD1 ILE A 53 -2.174 8.125 -7.077 1.00 0.00 C ATOM 0 H ILE A 53 -2.587 7.995 -3.074 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.880 5.103 -3.564 1.00 0.00 H new ATOM 0 HB ILE A 53 -2.262 5.672 -5.922 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -2.625 8.554 -5.037 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.061 7.803 -5.286 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -4.421 6.695 -6.522 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -4.613 5.436 -5.279 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -4.672 7.155 -4.821 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -1.730 9.106 -7.245 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -1.628 7.376 -7.651 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -3.216 8.139 -7.397 1.00 0.00 H new ATOM 802 N PHE A 54 -0.370 4.721 -4.112 1.00 0.00 N ATOM 803 CA PHE A 54 1.056 4.429 -4.033 1.00 0.00 C ATOM 804 C PHE A 54 1.446 3.349 -5.038 1.00 0.00 C ATOM 805 O PHE A 54 0.636 2.510 -5.432 1.00 0.00 O ATOM 806 CB PHE A 54 1.430 3.984 -2.618 1.00 0.00 C ATOM 807 CG PHE A 54 0.488 2.967 -2.041 1.00 0.00 C ATOM 808 CD1 PHE A 54 0.692 1.613 -2.255 1.00 0.00 C ATOM 809 CD2 PHE A 54 -0.603 3.364 -1.284 1.00 0.00 C ATOM 810 CE1 PHE A 54 -0.173 0.674 -1.725 1.00 0.00 C ATOM 811 CE2 PHE A 54 -1.471 2.430 -0.751 1.00 0.00 C ATOM 812 CZ PHE A 54 -1.257 1.084 -0.973 1.00 0.00 C ATOM 0 H PHE A 54 -0.929 3.981 -4.536 1.00 0.00 H new ATOM 0 HA PHE A 54 1.602 5.341 -4.275 1.00 0.00 H new ATOM 0 HB2 PHE A 54 2.437 3.568 -2.631 1.00 0.00 H new ATOM 0 HB3 PHE A 54 1.454 4.857 -1.966 1.00 0.00 H new ATOM 0 HD1 PHE A 54 1.537 1.287 -2.843 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -0.777 4.415 -1.109 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -0.002 -0.378 -1.898 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -2.316 2.753 -0.161 1.00 0.00 H new ATOM 0 HZ PHE A 54 -1.936 0.353 -0.559 1.00 0.00 H new ATOM 822 N PRO A 55 2.718 3.369 -5.463 1.00 0.00 N ATOM 823 CA PRO A 55 3.245 2.398 -6.427 1.00 0.00 C ATOM 824 C PRO A 55 3.363 0.998 -5.835 1.00 0.00 C ATOM 825 O PRO A 55 3.288 0.820 -4.620 1.00 0.00 O ATOM 826 CB PRO A 55 4.631 2.953 -6.767 1.00 0.00 C ATOM 827 CG PRO A 55 5.018 3.761 -5.576 1.00 0.00 C ATOM 828 CD PRO A 55 3.739 4.340 -5.036 1.00 0.00 C ATOM 0 HA PRO A 55 2.591 2.286 -7.292 1.00 0.00 H new ATOM 0 HB2 PRO A 55 5.345 2.150 -6.950 1.00 0.00 H new ATOM 0 HB3 PRO A 55 4.602 3.565 -7.668 1.00 0.00 H new ATOM 0 HG2 PRO A 55 5.513 3.141 -4.828 1.00 0.00 H new ATOM 0 HG3 PRO A 55 5.718 4.550 -5.850 1.00 0.00 H new ATOM 0 HD2 PRO A 55 3.770 4.440 -3.951 1.00 0.00 H new ATOM 0 HD3 PRO A 55 3.544 5.333 -5.442 1.00 0.00 H new ATOM 836 N ALA A 56 3.547 0.008 -6.702 1.00 0.00 N ATOM 837 CA ALA A 56 3.678 -1.377 -6.264 1.00 0.00 C ATOM 838 C ALA A 56 5.133 -1.726 -5.973 1.00 0.00 C ATOM 839 O ALA A 56 5.420 -2.682 -5.253 1.00 0.00 O ATOM 840 CB ALA A 56 3.107 -2.318 -7.314 1.00 0.00 C ATOM 0 H ALA A 56 3.609 0.139 -7.712 1.00 0.00 H new ATOM 0 HA ALA A 56 3.112 -1.495 -5.340 1.00 0.00 H new ATOM 0 HB1 ALA A 56 3.211 -3.348 -6.974 1.00 0.00 H new ATOM 0 HB2 ALA A 56 2.052 -2.092 -7.470 1.00 0.00 H new ATOM 0 HB3 ALA A 56 3.648 -2.189 -8.251 1.00 0.00 H new ATOM 846 N SER A 57 6.049 -0.945 -6.537 1.00 0.00 N ATOM 847 CA SER A 57 7.475 -1.175 -6.342 1.00 0.00 C ATOM 848 C SER A 57 7.911 -0.730 -4.949 1.00 0.00 C ATOM 849 O SER A 57 8.917 -1.203 -4.421 1.00 0.00 O ATOM 850 CB SER A 57 8.284 -0.428 -7.405 1.00 0.00 C ATOM 851 OG SER A 57 8.088 0.972 -7.305 1.00 0.00 O ATOM 0 H SER A 57 5.828 -0.147 -7.133 1.00 0.00 H new ATOM 0 HA SER A 57 7.662 -2.244 -6.438 1.00 0.00 H new ATOM 0 HB2 SER A 57 9.343 -0.659 -7.290 1.00 0.00 H new ATOM 0 HB3 SER A 57 7.989 -0.770 -8.397 1.00 0.00 H new ATOM 0 HG SER A 57 8.617 1.426 -7.994 1.00 0.00 H new ATOM 857 N SER A 58 7.146 0.184 -4.360 1.00 0.00 N ATOM 858 CA SER A 58 7.455 0.697 -3.030 1.00 0.00 C ATOM 859 C SER A 58 6.952 -0.257 -1.950 1.00 0.00 C ATOM 860 O SER A 58 7.541 -0.360 -0.874 1.00 0.00 O ATOM 861 CB SER A 58 6.830 2.080 -2.836 1.00 0.00 C ATOM 862 OG SER A 58 5.415 2.010 -2.876 1.00 0.00 O ATOM 0 H SER A 58 6.308 0.584 -4.782 1.00 0.00 H new ATOM 0 HA SER A 58 8.538 0.780 -2.942 1.00 0.00 H new ATOM 0 HB2 SER A 58 7.150 2.496 -1.881 1.00 0.00 H new ATOM 0 HB3 SER A 58 7.186 2.756 -3.614 1.00 0.00 H new ATOM 0 HG SER A 58 5.039 2.906 -2.748 1.00 0.00 H new ATOM 868 N VAL A 59 5.859 -0.953 -2.246 1.00 0.00 N ATOM 869 CA VAL A 59 5.276 -1.899 -1.303 1.00 0.00 C ATOM 870 C VAL A 59 5.342 -3.324 -1.842 1.00 0.00 C ATOM 871 O VAL A 59 5.626 -3.539 -3.019 1.00 0.00 O ATOM 872 CB VAL A 59 3.810 -1.548 -0.989 1.00 0.00 C ATOM 873 CG1 VAL A 59 3.716 -0.172 -0.347 1.00 0.00 C ATOM 874 CG2 VAL A 59 2.964 -1.615 -2.251 1.00 0.00 C ATOM 0 H VAL A 59 5.359 -0.879 -3.132 1.00 0.00 H new ATOM 0 HA VAL A 59 5.862 -1.833 -0.386 1.00 0.00 H new ATOM 0 HB VAL A 59 3.423 -2.280 -0.281 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.673 0.059 -0.132 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.288 -0.164 0.581 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.120 0.576 -1.029 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.931 -1.364 -2.010 1.00 0.00 H new ATOM 0 HG22 VAL A 59 3.348 -0.906 -2.985 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.006 -2.623 -2.664 1.00 0.00 H new ATOM 884 N GLU A 60 5.076 -4.293 -0.971 1.00 0.00 N ATOM 885 CA GLU A 60 5.105 -5.698 -1.361 1.00 0.00 C ATOM 886 C GLU A 60 3.877 -6.434 -0.834 1.00 0.00 C ATOM 887 O GLU A 60 3.414 -6.176 0.277 1.00 0.00 O ATOM 888 CB GLU A 60 6.378 -6.368 -0.840 1.00 0.00 C ATOM 889 CG GLU A 60 7.607 -6.081 -1.686 1.00 0.00 C ATOM 890 CD GLU A 60 7.391 -6.395 -3.154 1.00 0.00 C ATOM 891 OE1 GLU A 60 7.066 -7.559 -3.469 1.00 0.00 O ATOM 892 OE2 GLU A 60 7.548 -5.478 -3.987 1.00 0.00 O ATOM 0 H GLU A 60 4.838 -4.131 0.008 1.00 0.00 H new ATOM 0 HA GLU A 60 5.097 -5.747 -2.450 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.563 -6.033 0.180 1.00 0.00 H new ATOM 0 HB3 GLU A 60 6.220 -7.446 -0.798 1.00 0.00 H new ATOM 0 HG2 GLU A 60 7.880 -5.031 -1.579 1.00 0.00 H new ATOM 0 HG3 GLU A 60 8.446 -6.668 -1.312 1.00 0.00 H new ATOM 899 N VAL A 61 3.354 -7.353 -1.640 1.00 0.00 N ATOM 900 CA VAL A 61 2.180 -8.128 -1.256 1.00 0.00 C ATOM 901 C VAL A 61 2.564 -9.295 -0.353 1.00 0.00 C ATOM 902 O VAL A 61 1.768 -10.207 -0.130 1.00 0.00 O ATOM 903 CB VAL A 61 1.438 -8.671 -2.491 1.00 0.00 C ATOM 904 CG1 VAL A 61 -0.043 -8.846 -2.189 1.00 0.00 C ATOM 905 CG2 VAL A 61 1.641 -7.748 -3.683 1.00 0.00 C ATOM 0 H VAL A 61 3.725 -7.579 -2.563 1.00 0.00 H new ATOM 0 HA VAL A 61 1.519 -7.454 -0.712 1.00 0.00 H new ATOM 0 HB VAL A 61 1.852 -9.648 -2.742 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.552 -9.231 -3.073 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -0.166 -9.549 -1.365 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.474 -7.884 -1.912 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.110 -8.147 -4.547 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.255 -6.757 -3.446 1.00 0.00 H new ATOM 0 HG23 VAL A 61 2.704 -7.678 -3.912 1.00 0.00 H new ATOM 915 N ILE A 62 3.788 -9.259 0.163 1.00 0.00 N ATOM 916 CA ILE A 62 4.276 -10.314 1.043 1.00 0.00 C ATOM 917 C ILE A 62 3.585 -10.260 2.402 1.00 0.00 C ATOM 918 O ILE A 62 3.543 -11.253 3.128 1.00 0.00 O ATOM 919 CB ILE A 62 5.799 -10.214 1.250 1.00 0.00 C ATOM 920 CG1 ILE A 62 6.164 -8.864 1.872 1.00 0.00 C ATOM 921 CG2 ILE A 62 6.527 -10.408 -0.071 1.00 0.00 C ATOM 922 CD1 ILE A 62 7.481 -8.877 2.615 1.00 0.00 C ATOM 0 H ILE A 62 4.459 -8.512 -0.013 1.00 0.00 H new ATOM 0 HA ILE A 62 4.045 -11.262 0.558 1.00 0.00 H new ATOM 0 HB ILE A 62 6.110 -11.004 1.934 1.00 0.00 H new ATOM 0 HG12 ILE A 62 6.207 -8.111 1.085 1.00 0.00 H new ATOM 0 HG13 ILE A 62 5.372 -8.563 2.558 1.00 0.00 H new ATOM 0 HG21 ILE A 62 7.602 -10.335 0.092 1.00 0.00 H new ATOM 0 HG22 ILE A 62 6.288 -11.391 -0.477 1.00 0.00 H new ATOM 0 HG23 ILE A 62 6.213 -9.638 -0.776 1.00 0.00 H new ATOM 0 HD11 ILE A 62 7.675 -7.888 3.029 1.00 0.00 H new ATOM 0 HD12 ILE A 62 7.435 -9.606 3.424 1.00 0.00 H new ATOM 0 HD13 ILE A 62 8.283 -9.147 1.928 1.00 0.00 H new ATOM 934 N SER A 63 3.043 -9.094 2.738 1.00 0.00 N ATOM 935 CA SER A 63 2.355 -8.910 4.010 1.00 0.00 C ATOM 936 C SER A 63 1.301 -9.993 4.220 1.00 0.00 C ATOM 937 O SER A 63 0.870 -10.246 5.344 1.00 0.00 O ATOM 938 CB SER A 63 1.700 -7.528 4.065 1.00 0.00 C ATOM 939 OG SER A 63 1.009 -7.243 2.861 1.00 0.00 O ATOM 0 H SER A 63 3.067 -8.263 2.147 1.00 0.00 H new ATOM 0 HA SER A 63 3.094 -8.987 4.808 1.00 0.00 H new ATOM 0 HB2 SER A 63 1.007 -7.484 4.905 1.00 0.00 H new ATOM 0 HB3 SER A 63 2.461 -6.768 4.240 1.00 0.00 H new ATOM 0 HG SER A 63 0.424 -7.996 2.633 1.00 0.00 H new ATOM 945 N GLY A 64 0.890 -10.629 3.127 1.00 0.00 N ATOM 946 CA GLY A 64 -0.110 -11.678 3.211 1.00 0.00 C ATOM 947 C GLY A 64 -0.701 -12.025 1.859 1.00 0.00 C ATOM 948 O GLY A 64 -1.818 -11.628 1.526 1.00 0.00 O ATOM 0 H GLY A 64 1.231 -10.437 2.185 1.00 0.00 H new ATOM 0 HA2 GLY A 64 0.339 -12.570 3.647 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -0.908 -11.362 3.883 1.00 0.00 H new ATOM 952 N PRO A 65 0.059 -12.781 1.053 1.00 0.00 N ATOM 953 CA PRO A 65 -0.375 -13.197 -0.284 1.00 0.00 C ATOM 954 C PRO A 65 -1.509 -14.216 -0.234 1.00 0.00 C ATOM 955 O PRO A 65 -2.496 -14.096 -0.960 1.00 0.00 O ATOM 956 CB PRO A 65 0.883 -13.827 -0.886 1.00 0.00 C ATOM 957 CG PRO A 65 1.679 -14.280 0.289 1.00 0.00 C ATOM 958 CD PRO A 65 1.401 -13.289 1.385 1.00 0.00 C ATOM 0 HA PRO A 65 -0.768 -12.361 -0.863 1.00 0.00 H new ATOM 0 HB2 PRO A 65 0.633 -14.662 -1.541 1.00 0.00 H new ATOM 0 HB3 PRO A 65 1.438 -13.106 -1.486 1.00 0.00 H new ATOM 0 HG2 PRO A 65 1.390 -15.287 0.591 1.00 0.00 H new ATOM 0 HG3 PRO A 65 2.742 -14.311 0.051 1.00 0.00 H new ATOM 0 HD2 PRO A 65 1.420 -13.760 2.368 1.00 0.00 H new ATOM 0 HD3 PRO A 65 2.141 -12.489 1.401 1.00 0.00 H new ATOM 966 N SER A 66 -1.361 -15.217 0.627 1.00 0.00 N ATOM 967 CA SER A 66 -2.372 -16.259 0.769 1.00 0.00 C ATOM 968 C SER A 66 -2.925 -16.290 2.191 1.00 0.00 C ATOM 969 O SER A 66 -2.390 -16.977 3.061 1.00 0.00 O ATOM 970 CB SER A 66 -1.782 -17.624 0.409 1.00 0.00 C ATOM 971 OG SER A 66 -2.635 -18.675 0.829 1.00 0.00 O ATOM 0 H SER A 66 -0.551 -15.329 1.237 1.00 0.00 H new ATOM 0 HA SER A 66 -3.190 -16.033 0.085 1.00 0.00 H new ATOM 0 HB2 SER A 66 -1.628 -17.685 -0.668 1.00 0.00 H new ATOM 0 HB3 SER A 66 -0.804 -17.736 0.877 1.00 0.00 H new ATOM 0 HG SER A 66 -2.236 -19.537 0.586 1.00 0.00 H new ATOM 977 N SER A 67 -3.998 -15.540 2.418 1.00 0.00 N ATOM 978 CA SER A 67 -4.622 -15.478 3.735 1.00 0.00 C ATOM 979 C SER A 67 -6.120 -15.750 3.640 1.00 0.00 C ATOM 980 O SER A 67 -6.712 -15.660 2.565 1.00 0.00 O ATOM 981 CB SER A 67 -4.381 -14.108 4.373 1.00 0.00 C ATOM 982 OG SER A 67 -5.041 -13.085 3.648 1.00 0.00 O ATOM 0 H SER A 67 -4.454 -14.967 1.708 1.00 0.00 H new ATOM 0 HA SER A 67 -4.169 -16.247 4.360 1.00 0.00 H new ATOM 0 HB2 SER A 67 -4.737 -14.115 5.403 1.00 0.00 H new ATOM 0 HB3 SER A 67 -3.311 -13.902 4.407 1.00 0.00 H new ATOM 0 HG SER A 67 -4.873 -12.220 4.077 1.00 0.00 H new ATOM 988 N GLY A 68 -6.728 -16.084 4.774 1.00 0.00 N ATOM 989 CA GLY A 68 -8.152 -16.365 4.798 1.00 0.00 C ATOM 990 C GLY A 68 -8.483 -17.613 5.592 1.00 0.00 C ATOM 991 O GLY A 68 -9.649 -17.989 5.713 1.00 0.00 O ATOM 0 H GLY A 68 -6.260 -16.165 5.677 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -8.680 -15.514 5.228 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -8.514 -16.481 3.776 1.00 0.00 H new TER 995 GLY A 68