USER MOD reduce.3.24.130724 H: found=0, std=0, add=588, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 586 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 30 ASN :FLIP amide:sc= -0.0877 F(o=-4!,f=-0.057) USER MOD Set 1.2: A 32 THR OG1 : rot 47:sc= 0.0311 USER MOD Single : A 1 GLY N :NH3+ -122:sc= 0.0893 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc=-0.00203 K(o=-0.002,f=-1.4) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 16:sc= 0.561 USER MOD Single : A 16 ASN : amide:sc=-0.000708 X(o=-0.00071,f=-0.36) USER MOD Single : A 17 ASN : amide:sc= -0.0964 K(o=-0.096,f=-2.1!) USER MOD Single : A 19 LYS NZ :NH3+ 160:sc= -0.0254 (180deg=-0.229) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot -161:sc= 1.17 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= -0.284 USER MOD Single : A 50 MET CE :methyl 166:sc= -2.39 (180deg=-3.12) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 56 MET CE :methyl 169:sc= -3.65 (180deg=-4.38!) USER MOD Single : A 61 ASN : amide:sc= -0.364 K(o=-0.36,f=-1.3) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 178:sc= 0.0511 (180deg=0.051) USER MOD Single : A 69 THR OG1 : rot 103:sc= 0.254 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 ASN :FLIP amide:sc= -0.541 F(o=-1.5!,f=-0.54) USER MOD Single : A 76 SER OG : rot 180:sc= -0.0231 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 14.965 -2.379 18.914 1.00 0.00 N ATOM 2 CA GLY A 1 14.260 -3.344 19.737 1.00 0.00 C ATOM 3 C GLY A 1 12.754 -3.200 19.638 1.00 0.00 C ATOM 4 O GLY A 1 12.252 -2.353 18.899 1.00 0.00 O ATOM 0 H1 GLY A 1 15.578 -2.880 18.240 1.00 0.00 H new ATOM 0 H2 GLY A 1 14.277 -1.800 18.392 1.00 0.00 H new ATOM 0 H3 GLY A 1 15.546 -1.765 19.520 1.00 0.00 H new ATOM 0 HA2 GLY A 1 14.546 -4.352 19.436 1.00 0.00 H new ATOM 0 HA3 GLY A 1 14.566 -3.223 20.776 1.00 0.00 H new ATOM 8 N SER A 2 12.031 -4.030 20.383 1.00 0.00 N ATOM 9 CA SER A 2 10.573 -3.994 20.372 1.00 0.00 C ATOM 10 C SER A 2 10.033 -4.288 18.976 1.00 0.00 C ATOM 11 O SER A 2 9.111 -3.624 18.503 1.00 0.00 O ATOM 12 CB SER A 2 10.072 -2.630 20.849 1.00 0.00 C ATOM 13 OG SER A 2 10.053 -2.559 22.264 1.00 0.00 O ATOM 0 H SER A 2 12.431 -4.735 21.002 1.00 0.00 H new ATOM 0 HA SER A 2 10.210 -4.764 21.052 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.714 -1.844 20.451 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.070 -2.451 20.459 1.00 0.00 H new ATOM 0 HG SER A 2 9.731 -1.677 22.543 1.00 0.00 H new ATOM 19 N SER A 3 10.616 -5.287 18.321 1.00 0.00 N ATOM 20 CA SER A 3 10.197 -5.667 16.977 1.00 0.00 C ATOM 21 C SER A 3 9.343 -6.931 17.011 1.00 0.00 C ATOM 22 O SER A 3 9.502 -7.823 16.179 1.00 0.00 O ATOM 23 CB SER A 3 11.419 -5.887 16.082 1.00 0.00 C ATOM 24 OG SER A 3 12.153 -4.686 15.917 1.00 0.00 O ATOM 0 H SER A 3 11.380 -5.848 18.699 1.00 0.00 H new ATOM 0 HA SER A 3 9.597 -4.855 16.567 1.00 0.00 H new ATOM 0 HB2 SER A 3 12.061 -6.652 16.519 1.00 0.00 H new ATOM 0 HB3 SER A 3 11.099 -6.258 15.108 1.00 0.00 H new ATOM 0 HG SER A 3 12.929 -4.853 15.343 1.00 0.00 H new ATOM 30 N GLY A 4 8.437 -6.999 17.981 1.00 0.00 N ATOM 31 CA GLY A 4 7.571 -8.157 18.107 1.00 0.00 C ATOM 32 C GLY A 4 7.510 -8.683 19.527 1.00 0.00 C ATOM 33 O GLY A 4 8.397 -8.411 20.336 1.00 0.00 O ATOM 0 H GLY A 4 8.287 -6.273 18.682 1.00 0.00 H new ATOM 0 HA2 GLY A 4 6.566 -7.893 17.777 1.00 0.00 H new ATOM 0 HA3 GLY A 4 7.927 -8.947 17.445 1.00 0.00 H new ATOM 37 N SER A 5 6.459 -9.438 19.832 1.00 0.00 N ATOM 38 CA SER A 5 6.283 -10.000 21.166 1.00 0.00 C ATOM 39 C SER A 5 5.427 -11.262 21.116 1.00 0.00 C ATOM 40 O SER A 5 4.274 -11.227 20.686 1.00 0.00 O ATOM 41 CB SER A 5 5.637 -8.969 22.095 1.00 0.00 C ATOM 42 OG SER A 5 5.464 -9.496 23.399 1.00 0.00 O ATOM 0 H SER A 5 5.717 -9.674 19.173 1.00 0.00 H new ATOM 0 HA SER A 5 7.266 -10.264 21.555 1.00 0.00 H new ATOM 0 HB2 SER A 5 6.259 -8.075 22.140 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.671 -8.665 21.691 1.00 0.00 H new ATOM 0 HG SER A 5 5.051 -8.818 23.974 1.00 0.00 H new ATOM 48 N SER A 6 6.001 -12.376 21.559 1.00 0.00 N ATOM 49 CA SER A 6 5.294 -13.651 21.561 1.00 0.00 C ATOM 50 C SER A 6 4.256 -13.695 22.679 1.00 0.00 C ATOM 51 O SER A 6 4.514 -13.253 23.798 1.00 0.00 O ATOM 52 CB SER A 6 6.283 -14.807 21.722 1.00 0.00 C ATOM 53 OG SER A 6 7.244 -14.805 20.681 1.00 0.00 O ATOM 0 H SER A 6 6.954 -12.421 21.921 1.00 0.00 H new ATOM 0 HA SER A 6 4.779 -13.754 20.606 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.786 -14.728 22.686 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.743 -15.754 21.721 1.00 0.00 H new ATOM 0 HG SER A 6 7.865 -15.552 20.808 1.00 0.00 H new ATOM 59 N GLY A 7 3.081 -14.232 22.366 1.00 0.00 N ATOM 60 CA GLY A 7 2.021 -14.325 23.354 1.00 0.00 C ATOM 61 C GLY A 7 1.743 -15.754 23.773 1.00 0.00 C ATOM 62 O GLY A 7 2.269 -16.227 24.782 1.00 0.00 O ATOM 0 H GLY A 7 2.844 -14.604 21.446 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.294 -13.739 24.232 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.110 -13.885 22.948 1.00 0.00 H new ATOM 66 N LEU A 8 0.912 -16.445 23.000 1.00 0.00 N ATOM 67 CA LEU A 8 0.562 -17.829 23.298 1.00 0.00 C ATOM 68 C LEU A 8 0.954 -18.750 22.146 1.00 0.00 C ATOM 69 O LEU A 8 1.369 -18.288 21.084 1.00 0.00 O ATOM 70 CB LEU A 8 -0.937 -17.949 23.574 1.00 0.00 C ATOM 71 CG LEU A 8 -1.833 -16.927 22.873 1.00 0.00 C ATOM 72 CD1 LEU A 8 -1.539 -15.524 23.381 1.00 0.00 C ATOM 73 CD2 LEU A 8 -1.647 -17.000 21.365 1.00 0.00 C ATOM 0 H LEU A 8 0.468 -16.069 22.162 1.00 0.00 H new ATOM 0 HA LEU A 8 1.114 -18.134 24.187 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -1.261 -18.948 23.281 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -1.096 -17.865 24.649 1.00 0.00 H new ATOM 0 HG LEU A 8 -2.872 -17.165 23.102 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -2.186 -14.810 22.871 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.724 -15.479 24.454 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.496 -15.276 23.182 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -2.292 -16.266 20.883 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -0.607 -16.788 21.116 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -1.908 -17.998 21.014 1.00 0.00 H new ATOM 85 N ASN A 9 0.818 -20.054 22.365 1.00 0.00 N ATOM 86 CA ASN A 9 1.156 -21.039 21.344 1.00 0.00 C ATOM 87 C ASN A 9 -0.099 -21.551 20.645 1.00 0.00 C ATOM 88 O ASN A 9 -0.658 -22.580 21.026 1.00 0.00 O ATOM 89 CB ASN A 9 1.919 -22.209 21.969 1.00 0.00 C ATOM 90 CG ASN A 9 3.327 -21.826 22.384 1.00 0.00 C ATOM 91 OD1 ASN A 9 3.818 -20.752 22.035 1.00 0.00 O ATOM 92 ND2 ASN A 9 3.982 -22.704 23.134 1.00 0.00 N ATOM 0 H ASN A 9 0.476 -20.453 23.240 1.00 0.00 H new ATOM 0 HA ASN A 9 1.791 -20.554 20.602 1.00 0.00 H new ATOM 0 HB2 ASN A 9 1.373 -22.572 22.840 1.00 0.00 H new ATOM 0 HB3 ASN A 9 1.965 -23.032 21.256 1.00 0.00 H new ATOM 0 HD21 ASN A 9 4.932 -22.501 23.445 1.00 0.00 H new ATOM 0 HD22 ASN A 9 3.535 -23.582 23.399 1.00 0.00 H new ATOM 99 N ASP A 10 -0.536 -20.827 19.621 1.00 0.00 N ATOM 100 CA ASP A 10 -1.725 -21.209 18.867 1.00 0.00 C ATOM 101 C ASP A 10 -1.549 -20.903 17.383 1.00 0.00 C ATOM 102 O ASP A 10 -0.983 -19.872 17.014 1.00 0.00 O ATOM 103 CB ASP A 10 -2.955 -20.478 19.408 1.00 0.00 C ATOM 104 CG ASP A 10 -3.388 -21.000 20.765 1.00 0.00 C ATOM 105 OD1 ASP A 10 -2.694 -20.708 21.761 1.00 0.00 O ATOM 106 OD2 ASP A 10 -4.419 -21.701 20.829 1.00 0.00 O ATOM 0 H ASP A 10 -0.085 -19.973 19.294 1.00 0.00 H new ATOM 0 HA ASP A 10 -1.869 -22.283 18.984 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -2.737 -19.413 19.484 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -3.778 -20.585 18.701 1.00 0.00 H new ATOM 111 N LEU A 11 -2.034 -21.804 16.536 1.00 0.00 N ATOM 112 CA LEU A 11 -1.930 -21.631 15.092 1.00 0.00 C ATOM 113 C LEU A 11 -3.308 -21.447 14.464 1.00 0.00 C ATOM 114 O LEU A 11 -4.040 -22.415 14.252 1.00 0.00 O ATOM 115 CB LEU A 11 -1.227 -22.836 14.464 1.00 0.00 C ATOM 116 CG LEU A 11 0.112 -23.231 15.086 1.00 0.00 C ATOM 117 CD1 LEU A 11 0.497 -24.643 14.672 1.00 0.00 C ATOM 118 CD2 LEU A 11 1.198 -22.242 14.689 1.00 0.00 C ATOM 0 H LEU A 11 -2.503 -22.662 16.825 1.00 0.00 H new ATOM 0 HA LEU A 11 -1.342 -20.734 14.900 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -1.898 -23.693 14.521 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -1.066 -22.627 13.406 1.00 0.00 H new ATOM 0 HG LEU A 11 0.007 -23.208 16.171 1.00 0.00 H new ATOM 0 HD11 LEU A 11 1.453 -24.907 15.124 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -0.269 -25.342 15.008 1.00 0.00 H new ATOM 0 HD13 LEU A 11 0.583 -24.693 13.587 1.00 0.00 H new ATOM 0 HD21 LEU A 11 2.144 -22.540 15.141 1.00 0.00 H new ATOM 0 HD22 LEU A 11 1.302 -22.232 13.604 1.00 0.00 H new ATOM 0 HD23 LEU A 11 0.927 -21.245 15.037 1.00 0.00 H new ATOM 130 N LYS A 12 -3.655 -20.200 14.167 1.00 0.00 N ATOM 131 CA LYS A 12 -4.944 -19.888 13.559 1.00 0.00 C ATOM 132 C LYS A 12 -4.840 -18.658 12.664 1.00 0.00 C ATOM 133 O LYS A 12 -4.744 -17.532 13.151 1.00 0.00 O ATOM 134 CB LYS A 12 -5.998 -19.655 14.643 1.00 0.00 C ATOM 135 CG LYS A 12 -6.254 -20.873 15.515 1.00 0.00 C ATOM 136 CD LYS A 12 -6.905 -20.489 16.833 1.00 0.00 C ATOM 137 CE LYS A 12 -8.350 -20.056 16.636 1.00 0.00 C ATOM 138 NZ LYS A 12 -9.113 -20.073 17.915 1.00 0.00 N ATOM 0 H LYS A 12 -3.062 -19.388 14.337 1.00 0.00 H new ATOM 0 HA LYS A 12 -5.244 -20.738 12.945 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -5.680 -18.826 15.275 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -6.933 -19.354 14.170 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -6.896 -21.575 14.982 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -5.312 -21.387 15.709 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -6.868 -21.336 17.518 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -6.341 -19.679 17.296 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -8.374 -19.052 16.212 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -8.833 -20.717 15.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -10.093 -19.772 17.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -9.112 -21.036 18.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -8.668 -19.423 18.594 1.00 0.00 H new ATOM 152 N GLU A 13 -4.861 -18.881 11.354 1.00 0.00 N ATOM 153 CA GLU A 13 -4.769 -17.789 10.392 1.00 0.00 C ATOM 154 C GLU A 13 -6.158 -17.303 9.987 1.00 0.00 C ATOM 155 O GLU A 13 -6.634 -17.594 8.890 1.00 0.00 O ATOM 156 CB GLU A 13 -3.992 -18.236 9.152 1.00 0.00 C ATOM 157 CG GLU A 13 -4.189 -19.703 8.806 1.00 0.00 C ATOM 158 CD GLU A 13 -3.506 -20.094 7.510 1.00 0.00 C ATOM 159 OE1 GLU A 13 -2.259 -20.169 7.496 1.00 0.00 O ATOM 160 OE2 GLU A 13 -4.217 -20.324 6.510 1.00 0.00 O ATOM 0 H GLU A 13 -4.941 -19.807 10.935 1.00 0.00 H new ATOM 0 HA GLU A 13 -4.238 -16.964 10.867 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -4.299 -17.627 8.302 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -2.930 -18.048 9.312 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -3.801 -20.319 9.617 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -5.256 -19.914 8.728 1.00 0.00 H new ATOM 167 N SER A 14 -6.803 -16.561 10.882 1.00 0.00 N ATOM 168 CA SER A 14 -8.138 -16.038 10.621 1.00 0.00 C ATOM 169 C SER A 14 -8.126 -14.512 10.585 1.00 0.00 C ATOM 170 O SER A 14 -8.167 -13.855 11.625 1.00 0.00 O ATOM 171 CB SER A 14 -9.118 -16.526 11.690 1.00 0.00 C ATOM 172 OG SER A 14 -9.081 -17.937 11.810 1.00 0.00 O ATOM 0 H SER A 14 -6.422 -16.309 11.794 1.00 0.00 H new ATOM 0 HA SER A 14 -8.461 -16.405 9.647 1.00 0.00 H new ATOM 0 HB2 SER A 14 -8.872 -16.070 12.649 1.00 0.00 H new ATOM 0 HB3 SER A 14 -10.128 -16.206 11.435 1.00 0.00 H new ATOM 0 HG SER A 14 -9.715 -18.223 12.501 1.00 0.00 H new ATOM 178 N SER A 15 -8.071 -13.956 9.379 1.00 0.00 N ATOM 179 CA SER A 15 -8.050 -12.508 9.206 1.00 0.00 C ATOM 180 C SER A 15 -8.594 -12.117 7.835 1.00 0.00 C ATOM 181 O SER A 15 -8.378 -12.818 6.847 1.00 0.00 O ATOM 182 CB SER A 15 -6.626 -11.974 9.374 1.00 0.00 C ATOM 183 OG SER A 15 -6.277 -11.874 10.743 1.00 0.00 O ATOM 0 H SER A 15 -8.040 -14.486 8.508 1.00 0.00 H new ATOM 0 HA SER A 15 -8.689 -12.066 9.971 1.00 0.00 H new ATOM 0 HB2 SER A 15 -5.924 -12.634 8.864 1.00 0.00 H new ATOM 0 HB3 SER A 15 -6.543 -10.995 8.902 1.00 0.00 H new ATOM 0 HG SER A 15 -6.909 -12.396 11.281 1.00 0.00 H new ATOM 189 N ASN A 16 -9.300 -10.993 7.784 1.00 0.00 N ATOM 190 CA ASN A 16 -9.876 -10.508 6.535 1.00 0.00 C ATOM 191 C ASN A 16 -9.453 -9.067 6.265 1.00 0.00 C ATOM 192 O ASN A 16 -10.179 -8.126 6.584 1.00 0.00 O ATOM 193 CB ASN A 16 -11.403 -10.602 6.583 1.00 0.00 C ATOM 194 CG ASN A 16 -11.897 -12.031 6.466 1.00 0.00 C ATOM 195 OD1 ASN A 16 -11.439 -12.791 5.612 1.00 0.00 O ATOM 196 ND2 ASN A 16 -12.838 -12.404 7.326 1.00 0.00 N ATOM 0 H ASN A 16 -9.487 -10.401 8.593 1.00 0.00 H new ATOM 0 HA ASN A 16 -9.505 -11.135 5.725 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -11.762 -10.172 7.518 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -11.827 -10.006 5.774 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -13.210 -13.353 7.295 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -13.189 -11.741 8.017 1.00 0.00 H new ATOM 203 N ASN A 17 -8.274 -8.903 5.674 1.00 0.00 N ATOM 204 CA ASN A 17 -7.754 -7.578 5.360 1.00 0.00 C ATOM 205 C ASN A 17 -7.796 -7.319 3.857 1.00 0.00 C ATOM 206 O ASN A 17 -8.154 -8.200 3.075 1.00 0.00 O ATOM 207 CB ASN A 17 -6.320 -7.435 5.874 1.00 0.00 C ATOM 208 CG ASN A 17 -6.099 -8.167 7.183 1.00 0.00 C ATOM 209 OD1 ASN A 17 -5.820 -9.366 7.197 1.00 0.00 O ATOM 210 ND2 ASN A 17 -6.225 -7.447 8.292 1.00 0.00 N ATOM 0 H ASN A 17 -7.661 -9.672 5.403 1.00 0.00 H new ATOM 0 HA ASN A 17 -8.385 -6.840 5.855 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -5.628 -7.820 5.125 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -6.089 -6.378 6.008 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -6.089 -7.885 9.203 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -6.457 -6.456 8.233 1.00 0.00 H new ATOM 217 N ARG A 18 -7.427 -6.105 3.460 1.00 0.00 N ATOM 218 CA ARG A 18 -7.422 -5.730 2.052 1.00 0.00 C ATOM 219 C ARG A 18 -6.002 -5.732 1.493 1.00 0.00 C ATOM 220 O ARG A 18 -5.027 -5.732 2.245 1.00 0.00 O ATOM 221 CB ARG A 18 -8.052 -4.348 1.868 1.00 0.00 C ATOM 222 CG ARG A 18 -9.570 -4.355 1.948 1.00 0.00 C ATOM 223 CD ARG A 18 -10.173 -3.178 1.197 1.00 0.00 C ATOM 224 NE ARG A 18 -11.633 -3.200 1.225 1.00 0.00 N ATOM 225 CZ ARG A 18 -12.388 -2.125 1.033 1.00 0.00 C ATOM 226 NH1 ARG A 18 -11.824 -0.948 0.800 1.00 0.00 N ATOM 227 NH2 ARG A 18 -13.710 -2.225 1.074 1.00 0.00 N ATOM 0 H ARG A 18 -7.128 -5.365 4.095 1.00 0.00 H new ATOM 0 HA ARG A 18 -8.010 -6.466 1.504 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -7.660 -3.675 2.630 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -7.749 -3.946 0.901 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -9.953 -5.287 1.533 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -9.881 -4.319 2.992 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -9.816 -2.247 1.637 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -9.830 -3.194 0.162 1.00 0.00 H new ATOM 0 HE ARG A 18 -12.098 -4.090 1.402 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -10.808 -0.867 0.768 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -12.406 -0.124 0.653 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -14.148 -3.129 1.253 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -14.289 -1.398 0.926 1.00 0.00 H new ATOM 241 N LYS A 19 -5.893 -5.734 0.169 1.00 0.00 N ATOM 242 CA LYS A 19 -4.594 -5.735 -0.492 1.00 0.00 C ATOM 243 C LYS A 19 -4.530 -4.657 -1.569 1.00 0.00 C ATOM 244 O LYS A 19 -5.470 -4.483 -2.344 1.00 0.00 O ATOM 245 CB LYS A 19 -4.315 -7.107 -1.112 1.00 0.00 C ATOM 246 CG LYS A 19 -4.018 -8.188 -0.088 1.00 0.00 C ATOM 247 CD LYS A 19 -2.533 -8.269 0.223 1.00 0.00 C ATOM 248 CE LYS A 19 -2.121 -9.682 0.606 1.00 0.00 C ATOM 249 NZ LYS A 19 -2.156 -10.606 -0.562 1.00 0.00 N ATOM 0 H LYS A 19 -6.690 -5.735 -0.468 1.00 0.00 H new ATOM 0 HA LYS A 19 -3.833 -5.520 0.258 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -5.176 -7.409 -1.707 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.469 -7.023 -1.795 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.572 -7.984 0.828 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.365 -9.151 -0.463 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -1.960 -7.944 -0.645 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -2.293 -7.585 1.037 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -1.115 -9.666 1.026 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -2.786 -10.056 1.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -1.567 -11.440 -0.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -3.136 -10.908 -0.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -1.790 -10.116 -1.403 1.00 0.00 H new ATOM 263 N ALA A 20 -3.414 -3.936 -1.613 1.00 0.00 N ATOM 264 CA ALA A 20 -3.227 -2.877 -2.597 1.00 0.00 C ATOM 265 C ALA A 20 -1.772 -2.797 -3.047 1.00 0.00 C ATOM 266 O ALA A 20 -0.858 -3.107 -2.283 1.00 0.00 O ATOM 267 CB ALA A 20 -3.680 -1.541 -2.027 1.00 0.00 C ATOM 0 H ALA A 20 -2.626 -4.066 -0.979 1.00 0.00 H new ATOM 0 HA ALA A 20 -3.837 -3.113 -3.469 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.535 -0.759 -2.773 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -4.736 -1.598 -1.762 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -3.095 -1.308 -1.138 1.00 0.00 H new ATOM 273 N ARG A 21 -1.565 -2.380 -4.292 1.00 0.00 N ATOM 274 CA ARG A 21 -0.221 -2.262 -4.844 1.00 0.00 C ATOM 275 C ARG A 21 0.301 -0.835 -4.702 1.00 0.00 C ATOM 276 O ARG A 21 -0.391 0.127 -5.036 1.00 0.00 O ATOM 277 CB ARG A 21 -0.213 -2.674 -6.317 1.00 0.00 C ATOM 278 CG ARG A 21 1.083 -2.339 -7.037 1.00 0.00 C ATOM 279 CD ARG A 21 0.875 -2.236 -8.539 1.00 0.00 C ATOM 280 NE ARG A 21 0.557 -3.530 -9.138 1.00 0.00 N ATOM 281 CZ ARG A 21 0.676 -3.788 -10.436 1.00 0.00 C ATOM 282 NH1 ARG A 21 1.104 -2.847 -11.266 1.00 0.00 N ATOM 283 NH2 ARG A 21 0.367 -4.990 -10.905 1.00 0.00 N ATOM 0 H ARG A 21 -2.311 -2.118 -4.937 1.00 0.00 H new ATOM 0 HA ARG A 21 0.434 -2.929 -4.284 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -0.390 -3.747 -6.386 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -1.040 -2.181 -6.828 1.00 0.00 H new ATOM 0 HG2 ARG A 21 1.478 -1.396 -6.658 1.00 0.00 H new ATOM 0 HG3 ARG A 21 1.828 -3.106 -6.823 1.00 0.00 H new ATOM 0 HD2 ARG A 21 0.068 -1.533 -8.746 1.00 0.00 H new ATOM 0 HD3 ARG A 21 1.775 -1.833 -9.003 1.00 0.00 H new ATOM 0 HE ARG A 21 0.226 -4.276 -8.526 1.00 0.00 H new ATOM 0 HH11 ARG A 21 1.343 -1.922 -10.909 1.00 0.00 H new ATOM 0 HH12 ARG A 21 1.194 -3.048 -12.262 1.00 0.00 H new ATOM 0 HH21 ARG A 21 0.038 -5.716 -10.269 1.00 0.00 H new ATOM 0 HH22 ARG A 21 0.458 -5.188 -11.901 1.00 0.00 H new ATOM 297 N VAL A 22 1.527 -0.706 -4.203 1.00 0.00 N ATOM 298 CA VAL A 22 2.142 0.603 -4.016 1.00 0.00 C ATOM 299 C VAL A 22 2.535 1.221 -5.354 1.00 0.00 C ATOM 300 O VAL A 22 3.069 0.541 -6.231 1.00 0.00 O ATOM 301 CB VAL A 22 3.390 0.513 -3.118 1.00 0.00 C ATOM 302 CG1 VAL A 22 4.100 1.857 -3.054 1.00 0.00 C ATOM 303 CG2 VAL A 22 3.010 0.035 -1.725 1.00 0.00 C ATOM 0 H VAL A 22 2.113 -1.492 -3.921 1.00 0.00 H new ATOM 0 HA VAL A 22 1.399 1.236 -3.531 1.00 0.00 H new ATOM 0 HB VAL A 22 4.077 -0.213 -3.552 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.979 1.774 -2.415 1.00 0.00 H new ATOM 0 HG12 VAL A 22 4.407 2.154 -4.057 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.423 2.607 -2.644 1.00 0.00 H new ATOM 0 HG21 VAL A 22 3.904 -0.023 -1.104 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.304 0.736 -1.280 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.550 -0.951 -1.792 1.00 0.00 H new ATOM 313 N LEU A 23 2.269 2.513 -5.503 1.00 0.00 N ATOM 314 CA LEU A 23 2.595 3.225 -6.734 1.00 0.00 C ATOM 315 C LEU A 23 3.961 3.896 -6.629 1.00 0.00 C ATOM 316 O LEU A 23 4.623 4.141 -7.638 1.00 0.00 O ATOM 317 CB LEU A 23 1.522 4.271 -7.042 1.00 0.00 C ATOM 318 CG LEU A 23 0.074 3.833 -6.818 1.00 0.00 C ATOM 319 CD1 LEU A 23 -0.882 4.978 -7.113 1.00 0.00 C ATOM 320 CD2 LEU A 23 -0.257 2.624 -7.680 1.00 0.00 C ATOM 0 H LEU A 23 1.828 3.090 -4.787 1.00 0.00 H new ATOM 0 HA LEU A 23 2.629 2.499 -7.546 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.714 5.151 -6.428 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.631 4.579 -8.082 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.042 3.551 -5.772 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.907 4.647 -6.948 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.660 5.816 -6.453 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.764 5.292 -8.150 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.291 2.326 -7.507 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.123 2.879 -8.731 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.406 1.799 -7.420 1.00 0.00 H new ATOM 332 N TYR A 24 4.377 4.190 -5.402 1.00 0.00 N ATOM 333 CA TYR A 24 5.664 4.834 -5.165 1.00 0.00 C ATOM 334 C TYR A 24 6.210 4.469 -3.788 1.00 0.00 C ATOM 335 O TYR A 24 5.452 4.302 -2.832 1.00 0.00 O ATOM 336 CB TYR A 24 5.528 6.352 -5.287 1.00 0.00 C ATOM 337 CG TYR A 24 4.621 6.791 -6.414 1.00 0.00 C ATOM 338 CD1 TYR A 24 3.253 6.932 -6.217 1.00 0.00 C ATOM 339 CD2 TYR A 24 5.132 7.065 -7.677 1.00 0.00 C ATOM 340 CE1 TYR A 24 2.421 7.332 -7.244 1.00 0.00 C ATOM 341 CE2 TYR A 24 4.308 7.467 -8.709 1.00 0.00 C ATOM 342 CZ TYR A 24 2.952 7.598 -8.488 1.00 0.00 C ATOM 343 OH TYR A 24 2.127 7.998 -9.514 1.00 0.00 O ATOM 0 H TYR A 24 3.842 3.993 -4.556 1.00 0.00 H new ATOM 0 HA TYR A 24 6.365 4.477 -5.920 1.00 0.00 H new ATOM 0 HB2 TYR A 24 5.145 6.750 -4.348 1.00 0.00 H new ATOM 0 HB3 TYR A 24 6.517 6.786 -5.438 1.00 0.00 H new ATOM 0 HD1 TYR A 24 2.833 6.725 -5.244 1.00 0.00 H new ATOM 0 HD2 TYR A 24 6.192 6.962 -7.854 1.00 0.00 H new ATOM 0 HE1 TYR A 24 1.360 7.436 -7.073 1.00 0.00 H new ATOM 0 HE2 TYR A 24 4.722 7.678 -9.684 1.00 0.00 H new ATOM 0 HH TYR A 24 2.660 8.146 -10.323 1.00 0.00 H new ATOM 353 N ASP A 25 7.529 4.348 -3.695 1.00 0.00 N ATOM 354 CA ASP A 25 8.179 4.006 -2.435 1.00 0.00 C ATOM 355 C ASP A 25 8.019 5.131 -1.418 1.00 0.00 C ATOM 356 O ASP A 25 8.542 6.229 -1.604 1.00 0.00 O ATOM 357 CB ASP A 25 9.663 3.716 -2.665 1.00 0.00 C ATOM 358 CG ASP A 25 10.302 4.694 -3.631 1.00 0.00 C ATOM 359 OD1 ASP A 25 10.021 4.598 -4.844 1.00 0.00 O ATOM 360 OD2 ASP A 25 11.082 5.556 -3.174 1.00 0.00 O ATOM 0 H ASP A 25 8.170 4.482 -4.477 1.00 0.00 H new ATOM 0 HA ASP A 25 7.699 3.111 -2.038 1.00 0.00 H new ATOM 0 HB2 ASP A 25 10.190 3.755 -1.712 1.00 0.00 H new ATOM 0 HB3 ASP A 25 9.777 2.703 -3.050 1.00 0.00 H new ATOM 365 N TYR A 26 7.292 4.849 -0.342 1.00 0.00 N ATOM 366 CA TYR A 26 7.060 5.838 0.704 1.00 0.00 C ATOM 367 C TYR A 26 8.059 5.670 1.845 1.00 0.00 C ATOM 368 O TYR A 26 8.573 4.575 2.078 1.00 0.00 O ATOM 369 CB TYR A 26 5.633 5.719 1.240 1.00 0.00 C ATOM 370 CG TYR A 26 5.359 6.604 2.435 1.00 0.00 C ATOM 371 CD1 TYR A 26 5.209 7.977 2.287 1.00 0.00 C ATOM 372 CD2 TYR A 26 5.248 6.066 3.711 1.00 0.00 C ATOM 373 CE1 TYR A 26 4.959 8.790 3.376 1.00 0.00 C ATOM 374 CE2 TYR A 26 4.997 6.871 4.806 1.00 0.00 C ATOM 375 CZ TYR A 26 4.854 8.232 4.633 1.00 0.00 C ATOM 376 OH TYR A 26 4.604 9.038 5.720 1.00 0.00 O ATOM 0 H TYR A 26 6.854 3.944 -0.172 1.00 0.00 H new ATOM 0 HA TYR A 26 7.197 6.828 0.269 1.00 0.00 H new ATOM 0 HB2 TYR A 26 4.933 5.971 0.444 1.00 0.00 H new ATOM 0 HB3 TYR A 26 5.443 4.682 1.515 1.00 0.00 H new ATOM 0 HD1 TYR A 26 5.289 8.417 1.304 1.00 0.00 H new ATOM 0 HD2 TYR A 26 5.360 5.001 3.850 1.00 0.00 H new ATOM 0 HE1 TYR A 26 4.846 9.856 3.244 1.00 0.00 H new ATOM 0 HE2 TYR A 26 4.913 6.437 5.791 1.00 0.00 H new ATOM 0 HH TYR A 26 4.849 8.564 6.542 1.00 0.00 H new ATOM 386 N ASP A 27 8.329 6.761 2.552 1.00 0.00 N ATOM 387 CA ASP A 27 9.265 6.736 3.670 1.00 0.00 C ATOM 388 C ASP A 27 8.587 7.196 4.957 1.00 0.00 C ATOM 389 O ASP A 27 8.362 8.388 5.160 1.00 0.00 O ATOM 390 CB ASP A 27 10.474 7.624 3.371 1.00 0.00 C ATOM 391 CG ASP A 27 11.714 7.187 4.127 1.00 0.00 C ATOM 392 OD1 ASP A 27 12.096 6.005 4.006 1.00 0.00 O ATOM 393 OD2 ASP A 27 12.301 8.028 4.839 1.00 0.00 O ATOM 0 H ASP A 27 7.913 7.675 2.371 1.00 0.00 H new ATOM 0 HA ASP A 27 9.603 5.709 3.805 1.00 0.00 H new ATOM 0 HB2 ASP A 27 10.679 7.605 2.301 1.00 0.00 H new ATOM 0 HB3 ASP A 27 10.237 8.655 3.632 1.00 0.00 H new ATOM 398 N ALA A 28 8.262 6.241 5.822 1.00 0.00 N ATOM 399 CA ALA A 28 7.610 6.547 7.089 1.00 0.00 C ATOM 400 C ALA A 28 8.410 7.575 7.883 1.00 0.00 C ATOM 401 O ALA A 28 9.629 7.466 8.005 1.00 0.00 O ATOM 402 CB ALA A 28 7.420 5.278 7.906 1.00 0.00 C ATOM 0 H ALA A 28 8.440 5.248 5.668 1.00 0.00 H new ATOM 0 HA ALA A 28 6.631 6.975 6.872 1.00 0.00 H new ATOM 0 HB1 ALA A 28 6.932 5.522 8.849 1.00 0.00 H new ATOM 0 HB2 ALA A 28 6.801 4.576 7.348 1.00 0.00 H new ATOM 0 HB3 ALA A 28 8.391 4.826 8.106 1.00 0.00 H new ATOM 408 N ALA A 29 7.715 8.572 8.421 1.00 0.00 N ATOM 409 CA ALA A 29 8.360 9.617 9.205 1.00 0.00 C ATOM 410 C ALA A 29 8.512 9.197 10.663 1.00 0.00 C ATOM 411 O ALA A 29 9.514 9.506 11.306 1.00 0.00 O ATOM 412 CB ALA A 29 7.570 10.914 9.107 1.00 0.00 C ATOM 0 H ALA A 29 6.705 8.678 8.328 1.00 0.00 H new ATOM 0 HA ALA A 29 9.357 9.779 8.796 1.00 0.00 H new ATOM 0 HB1 ALA A 29 8.063 11.686 9.698 1.00 0.00 H new ATOM 0 HB2 ALA A 29 7.519 11.231 8.065 1.00 0.00 H new ATOM 0 HB3 ALA A 29 6.561 10.755 9.488 1.00 0.00 H new ATOM 418 N ASN A 30 7.510 8.491 11.177 1.00 0.00 N ATOM 419 CA ASN A 30 7.532 8.029 12.561 1.00 0.00 C ATOM 420 C ASN A 30 7.167 6.551 12.646 1.00 0.00 C ATOM 421 O ASN A 30 6.722 5.953 11.666 1.00 0.00 O ATOM 422 CB ASN A 30 6.565 8.855 13.411 1.00 0.00 C ATOM 423 CG ASN A 30 5.388 9.374 12.609 1.00 0.00 C ATOM 424 OD1 ASN A 30 4.739 8.484 11.868 1.00 0.00 O flip ATOM 425 ND2 ASN A 30 5.066 10.562 12.655 1.00 0.00 N flip ATOM 0 H ASN A 30 6.673 8.226 10.657 1.00 0.00 H new ATOM 0 HA ASN A 30 8.544 8.158 12.946 1.00 0.00 H new ATOM 0 HB2 ASN A 30 6.198 8.244 14.236 1.00 0.00 H new ATOM 0 HB3 ASN A 30 7.100 9.696 13.851 1.00 0.00 H new ATOM 0 HD21 ASN A 30 5.594 11.211 13.239 1.00 0.00 H new ATOM 0 HD22 ASN A 30 4.272 10.897 12.110 1.00 0.00 H new ATOM 432 N SER A 31 7.357 5.967 13.825 1.00 0.00 N ATOM 433 CA SER A 31 7.050 4.557 14.039 1.00 0.00 C ATOM 434 C SER A 31 5.659 4.218 13.512 1.00 0.00 C ATOM 435 O SER A 31 5.504 3.365 12.637 1.00 0.00 O ATOM 436 CB SER A 31 7.143 4.213 15.526 1.00 0.00 C ATOM 437 OG SER A 31 6.568 2.946 15.793 1.00 0.00 O ATOM 0 H SER A 31 7.722 6.448 14.647 1.00 0.00 H new ATOM 0 HA SER A 31 7.782 3.964 13.490 1.00 0.00 H new ATOM 0 HB2 SER A 31 8.187 4.215 15.838 1.00 0.00 H new ATOM 0 HB3 SER A 31 6.634 4.978 16.112 1.00 0.00 H new ATOM 0 HG SER A 31 6.641 2.749 16.750 1.00 0.00 H new ATOM 443 N THR A 32 4.648 4.893 14.051 1.00 0.00 N ATOM 444 CA THR A 32 3.270 4.664 13.638 1.00 0.00 C ATOM 445 C THR A 32 3.177 4.437 12.134 1.00 0.00 C ATOM 446 O THR A 32 2.393 3.610 11.669 1.00 0.00 O ATOM 447 CB THR A 32 2.363 5.847 14.024 1.00 0.00 C ATOM 448 OG1 THR A 32 3.018 7.085 13.724 1.00 0.00 O ATOM 449 CG2 THR A 32 2.012 5.800 15.504 1.00 0.00 C ATOM 0 H THR A 32 4.759 5.603 14.775 1.00 0.00 H new ATOM 0 HA THR A 32 2.929 3.770 14.160 1.00 0.00 H new ATOM 0 HB THR A 32 1.442 5.773 13.445 1.00 0.00 H new ATOM 0 HG1 THR A 32 3.391 7.047 12.819 1.00 0.00 H new ATOM 0 HG21 THR A 32 1.371 6.646 15.753 1.00 0.00 H new ATOM 0 HG22 THR A 32 1.488 4.870 15.724 1.00 0.00 H new ATOM 0 HG23 THR A 32 2.926 5.851 16.096 1.00 0.00 H new ATOM 457 N GLU A 33 3.983 5.177 11.378 1.00 0.00 N ATOM 458 CA GLU A 33 3.990 5.055 9.925 1.00 0.00 C ATOM 459 C GLU A 33 4.946 3.954 9.475 1.00 0.00 C ATOM 460 O GLU A 33 5.899 3.617 10.180 1.00 0.00 O ATOM 461 CB GLU A 33 4.389 6.385 9.281 1.00 0.00 C ATOM 462 CG GLU A 33 3.309 7.451 9.366 1.00 0.00 C ATOM 463 CD GLU A 33 3.838 8.842 9.077 1.00 0.00 C ATOM 464 OE1 GLU A 33 4.776 8.962 8.262 1.00 0.00 O ATOM 465 OE2 GLU A 33 3.314 9.811 9.667 1.00 0.00 O ATOM 0 H GLU A 33 4.638 5.866 11.747 1.00 0.00 H new ATOM 0 HA GLU A 33 2.982 4.791 9.604 1.00 0.00 H new ATOM 0 HB2 GLU A 33 5.293 6.756 9.764 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.635 6.212 8.233 1.00 0.00 H new ATOM 0 HG2 GLU A 33 2.514 7.215 8.659 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.865 7.435 10.361 1.00 0.00 H new ATOM 472 N LEU A 34 4.684 3.395 8.299 1.00 0.00 N ATOM 473 CA LEU A 34 5.519 2.331 7.755 1.00 0.00 C ATOM 474 C LEU A 34 6.071 2.717 6.386 1.00 0.00 C ATOM 475 O LEU A 34 5.445 3.474 5.644 1.00 0.00 O ATOM 476 CB LEU A 34 4.719 1.032 7.646 1.00 0.00 C ATOM 477 CG LEU A 34 4.780 0.102 8.858 1.00 0.00 C ATOM 478 CD1 LEU A 34 3.915 -1.128 8.631 1.00 0.00 C ATOM 479 CD2 LEU A 34 6.219 -0.302 9.148 1.00 0.00 C ATOM 0 H LEU A 34 3.900 3.661 7.704 1.00 0.00 H new ATOM 0 HA LEU A 34 6.357 2.179 8.435 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.675 1.286 7.460 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.073 0.483 6.774 1.00 0.00 H new ATOM 0 HG LEU A 34 4.392 0.639 9.724 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.971 -1.778 9.504 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.881 -0.821 8.472 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.272 -1.667 7.754 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.244 -0.964 10.014 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.633 -0.820 8.283 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.812 0.589 9.355 1.00 0.00 H new ATOM 491 N SER A 35 7.247 2.192 6.058 1.00 0.00 N ATOM 492 CA SER A 35 7.884 2.483 4.779 1.00 0.00 C ATOM 493 C SER A 35 7.323 1.590 3.676 1.00 0.00 C ATOM 494 O SER A 35 7.135 0.388 3.870 1.00 0.00 O ATOM 495 CB SER A 35 9.399 2.291 4.884 1.00 0.00 C ATOM 496 OG SER A 35 9.951 3.135 5.880 1.00 0.00 O ATOM 0 H SER A 35 7.778 1.563 6.660 1.00 0.00 H new ATOM 0 HA SER A 35 7.673 3.522 4.525 1.00 0.00 H new ATOM 0 HB2 SER A 35 9.622 1.250 5.120 1.00 0.00 H new ATOM 0 HB3 SER A 35 9.864 2.506 3.922 1.00 0.00 H new ATOM 0 HG SER A 35 10.919 2.993 5.929 1.00 0.00 H new ATOM 502 N LEU A 36 7.057 2.187 2.520 1.00 0.00 N ATOM 503 CA LEU A 36 6.517 1.447 1.384 1.00 0.00 C ATOM 504 C LEU A 36 7.457 1.525 0.186 1.00 0.00 C ATOM 505 O LEU A 36 8.210 2.488 0.036 1.00 0.00 O ATOM 506 CB LEU A 36 5.140 1.994 1.003 1.00 0.00 C ATOM 507 CG LEU A 36 4.139 2.151 2.148 1.00 0.00 C ATOM 508 CD1 LEU A 36 2.895 2.885 1.673 1.00 0.00 C ATOM 509 CD2 LEU A 36 3.771 0.792 2.726 1.00 0.00 C ATOM 0 H LEU A 36 7.206 3.181 2.344 1.00 0.00 H new ATOM 0 HA LEU A 36 6.418 0.402 1.677 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.276 2.967 0.530 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.704 1.334 0.254 1.00 0.00 H new ATOM 0 HG LEU A 36 4.607 2.743 2.935 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.194 2.987 2.502 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.173 3.874 1.309 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.425 2.321 0.868 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.058 0.924 3.540 1.00 0.00 H new ATOM 0 HD22 LEU A 36 3.323 0.175 1.947 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.668 0.303 3.106 1.00 0.00 H new ATOM 521 N LEU A 37 7.407 0.508 -0.666 1.00 0.00 N ATOM 522 CA LEU A 37 8.253 0.462 -1.854 1.00 0.00 C ATOM 523 C LEU A 37 7.412 0.526 -3.124 1.00 0.00 C ATOM 524 O LEU A 37 6.199 0.325 -3.088 1.00 0.00 O ATOM 525 CB LEU A 37 9.099 -0.813 -1.853 1.00 0.00 C ATOM 526 CG LEU A 37 10.332 -0.799 -0.948 1.00 0.00 C ATOM 527 CD1 LEU A 37 10.923 -2.196 -0.831 1.00 0.00 C ATOM 528 CD2 LEU A 37 11.371 0.179 -1.478 1.00 0.00 C ATOM 0 H LEU A 37 6.790 -0.297 -0.557 1.00 0.00 H new ATOM 0 HA LEU A 37 8.913 1.329 -1.833 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.463 -1.647 -1.555 1.00 0.00 H new ATOM 0 HB3 LEU A 37 9.425 -1.010 -2.874 1.00 0.00 H new ATOM 0 HG LEU A 37 10.027 -0.471 0.046 1.00 0.00 H new ATOM 0 HD11 LEU A 37 11.799 -2.167 -0.184 1.00 0.00 H new ATOM 0 HD12 LEU A 37 10.180 -2.871 -0.406 1.00 0.00 H new ATOM 0 HD13 LEU A 37 11.214 -2.552 -1.819 1.00 0.00 H new ATOM 0 HD21 LEU A 37 12.241 0.176 -0.822 1.00 0.00 H new ATOM 0 HD22 LEU A 37 11.672 -0.119 -2.482 1.00 0.00 H new ATOM 0 HD23 LEU A 37 10.944 1.181 -1.510 1.00 0.00 H new ATOM 540 N ALA A 38 8.066 0.806 -4.247 1.00 0.00 N ATOM 541 CA ALA A 38 7.379 0.893 -5.530 1.00 0.00 C ATOM 542 C ALA A 38 7.182 -0.490 -6.142 1.00 0.00 C ATOM 543 O ALA A 38 8.112 -1.295 -6.192 1.00 0.00 O ATOM 544 CB ALA A 38 8.155 1.789 -6.484 1.00 0.00 C ATOM 0 H ALA A 38 9.071 0.976 -4.294 1.00 0.00 H new ATOM 0 HA ALA A 38 6.395 1.329 -5.359 1.00 0.00 H new ATOM 0 HB1 ALA A 38 7.631 1.845 -7.438 1.00 0.00 H new ATOM 0 HB2 ALA A 38 8.239 2.788 -6.057 1.00 0.00 H new ATOM 0 HB3 ALA A 38 9.152 1.376 -6.641 1.00 0.00 H new ATOM 550 N ASP A 39 5.966 -0.759 -6.604 1.00 0.00 N ATOM 551 CA ASP A 39 5.647 -2.045 -7.213 1.00 0.00 C ATOM 552 C ASP A 39 5.603 -3.149 -6.161 1.00 0.00 C ATOM 553 O ASP A 39 6.107 -4.249 -6.381 1.00 0.00 O ATOM 554 CB ASP A 39 6.675 -2.392 -8.291 1.00 0.00 C ATOM 555 CG ASP A 39 6.951 -1.229 -9.224 1.00 0.00 C ATOM 556 OD1 ASP A 39 7.410 -0.174 -8.738 1.00 0.00 O ATOM 557 OD2 ASP A 39 6.709 -1.374 -10.440 1.00 0.00 O ATOM 0 H ASP A 39 5.185 -0.104 -6.568 1.00 0.00 H new ATOM 0 HA ASP A 39 4.662 -1.967 -7.673 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.606 -2.701 -7.815 1.00 0.00 H new ATOM 0 HB3 ASP A 39 6.316 -3.242 -8.871 1.00 0.00 H new ATOM 562 N GLU A 40 4.999 -2.844 -5.016 1.00 0.00 N ATOM 563 CA GLU A 40 4.891 -3.811 -3.930 1.00 0.00 C ATOM 564 C GLU A 40 3.494 -3.786 -3.316 1.00 0.00 C ATOM 565 O GLU A 40 2.959 -2.722 -3.005 1.00 0.00 O ATOM 566 CB GLU A 40 5.938 -3.519 -2.853 1.00 0.00 C ATOM 567 CG GLU A 40 5.449 -2.574 -1.768 1.00 0.00 C ATOM 568 CD GLU A 40 6.393 -2.506 -0.584 1.00 0.00 C ATOM 569 OE1 GLU A 40 7.382 -3.269 -0.570 1.00 0.00 O ATOM 570 OE2 GLU A 40 6.144 -1.692 0.329 1.00 0.00 O ATOM 0 H GLU A 40 4.578 -1.937 -4.817 1.00 0.00 H new ATOM 0 HA GLU A 40 5.070 -4.804 -4.342 1.00 0.00 H new ATOM 0 HB2 GLU A 40 6.246 -4.458 -2.393 1.00 0.00 H new ATOM 0 HB3 GLU A 40 6.822 -3.090 -3.325 1.00 0.00 H new ATOM 0 HG2 GLU A 40 5.328 -1.576 -2.189 1.00 0.00 H new ATOM 0 HG3 GLU A 40 4.466 -2.897 -1.426 1.00 0.00 H new ATOM 577 N VAL A 41 2.908 -4.967 -3.145 1.00 0.00 N ATOM 578 CA VAL A 41 1.574 -5.083 -2.569 1.00 0.00 C ATOM 579 C VAL A 41 1.639 -5.574 -1.127 1.00 0.00 C ATOM 580 O VAL A 41 2.278 -6.585 -0.833 1.00 0.00 O ATOM 581 CB VAL A 41 0.691 -6.043 -3.387 1.00 0.00 C ATOM 582 CG1 VAL A 41 -0.558 -6.418 -2.604 1.00 0.00 C ATOM 583 CG2 VAL A 41 0.323 -5.418 -4.725 1.00 0.00 C ATOM 0 H VAL A 41 3.337 -5.857 -3.397 1.00 0.00 H new ATOM 0 HA VAL A 41 1.132 -4.087 -2.591 1.00 0.00 H new ATOM 0 HB VAL A 41 1.257 -6.954 -3.580 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.170 -7.097 -3.198 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.271 -6.908 -1.674 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.130 -5.518 -2.378 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.301 -6.110 -5.290 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.225 -4.491 -4.555 1.00 0.00 H new ATOM 0 HG23 VAL A 41 1.231 -5.205 -5.289 1.00 0.00 H new ATOM 593 N ILE A 42 0.974 -4.852 -0.231 1.00 0.00 N ATOM 594 CA ILE A 42 0.955 -5.216 1.180 1.00 0.00 C ATOM 595 C ILE A 42 -0.475 -5.344 1.695 1.00 0.00 C ATOM 596 O ILE A 42 -1.434 -5.061 0.977 1.00 0.00 O ATOM 597 CB ILE A 42 1.707 -4.181 2.038 1.00 0.00 C ATOM 598 CG1 ILE A 42 1.045 -2.807 1.917 1.00 0.00 C ATOM 599 CG2 ILE A 42 3.168 -4.109 1.621 1.00 0.00 C ATOM 600 CD1 ILE A 42 1.411 -1.859 3.037 1.00 0.00 C ATOM 0 H ILE A 42 0.442 -4.012 -0.457 1.00 0.00 H new ATOM 0 HA ILE A 42 1.457 -6.180 1.265 1.00 0.00 H new ATOM 0 HB ILE A 42 1.662 -4.494 3.081 1.00 0.00 H new ATOM 0 HG12 ILE A 42 1.329 -2.359 0.965 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.037 -2.935 1.899 1.00 0.00 H new ATOM 0 HG21 ILE A 42 3.686 -3.373 2.236 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.633 -5.086 1.754 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.233 -3.816 0.573 1.00 0.00 H new ATOM 0 HD11 ILE A 42 0.906 -0.905 2.886 1.00 0.00 H new ATOM 0 HD12 ILE A 42 1.102 -2.286 3.991 1.00 0.00 H new ATOM 0 HD13 ILE A 42 2.490 -1.701 3.042 1.00 0.00 H new ATOM 612 N THR A 43 -0.611 -5.771 2.947 1.00 0.00 N ATOM 613 CA THR A 43 -1.923 -5.936 3.560 1.00 0.00 C ATOM 614 C THR A 43 -2.402 -4.634 4.192 1.00 0.00 C ATOM 615 O THR A 43 -1.830 -4.162 5.175 1.00 0.00 O ATOM 616 CB THR A 43 -1.906 -7.040 4.634 1.00 0.00 C ATOM 617 OG1 THR A 43 -1.686 -8.316 4.023 1.00 0.00 O ATOM 618 CG2 THR A 43 -3.215 -7.061 5.408 1.00 0.00 C ATOM 0 H THR A 43 0.172 -6.009 3.556 1.00 0.00 H new ATOM 0 HA THR A 43 -2.610 -6.224 2.764 1.00 0.00 H new ATOM 0 HB THR A 43 -1.094 -6.827 5.329 1.00 0.00 H new ATOM 0 HG1 THR A 43 -1.675 -9.012 4.713 1.00 0.00 H new ATOM 0 HG21 THR A 43 -3.180 -7.848 6.161 1.00 0.00 H new ATOM 0 HG22 THR A 43 -3.364 -6.098 5.897 1.00 0.00 H new ATOM 0 HG23 THR A 43 -4.040 -7.251 4.722 1.00 0.00 H new ATOM 626 N VAL A 44 -3.456 -4.058 3.622 1.00 0.00 N ATOM 627 CA VAL A 44 -4.014 -2.811 4.131 1.00 0.00 C ATOM 628 C VAL A 44 -5.372 -3.042 4.783 1.00 0.00 C ATOM 629 O VAL A 44 -6.182 -3.829 4.292 1.00 0.00 O ATOM 630 CB VAL A 44 -4.165 -1.765 3.011 1.00 0.00 C ATOM 631 CG1 VAL A 44 -2.803 -1.369 2.462 1.00 0.00 C ATOM 632 CG2 VAL A 44 -5.061 -2.299 1.903 1.00 0.00 C ATOM 0 H VAL A 44 -3.940 -4.435 2.808 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.316 -2.434 4.878 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.633 -0.874 3.430 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -2.930 -0.629 1.672 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.198 -0.944 3.263 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.304 -2.250 2.058 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.157 -1.548 1.119 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -4.622 -3.205 1.485 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.046 -2.527 2.310 1.00 0.00 H new ATOM 642 N PHE A 45 -5.616 -2.352 5.892 1.00 0.00 N ATOM 643 CA PHE A 45 -6.877 -2.482 6.612 1.00 0.00 C ATOM 644 C PHE A 45 -7.170 -1.225 7.426 1.00 0.00 C ATOM 645 O PHE A 45 -6.263 -0.607 7.984 1.00 0.00 O ATOM 646 CB PHE A 45 -6.839 -3.703 7.534 1.00 0.00 C ATOM 647 CG PHE A 45 -5.572 -3.811 8.333 1.00 0.00 C ATOM 648 CD1 PHE A 45 -4.365 -4.084 7.710 1.00 0.00 C ATOM 649 CD2 PHE A 45 -5.588 -3.639 9.708 1.00 0.00 C ATOM 650 CE1 PHE A 45 -3.197 -4.184 8.443 1.00 0.00 C ATOM 651 CE2 PHE A 45 -4.424 -3.737 10.446 1.00 0.00 C ATOM 652 CZ PHE A 45 -3.227 -4.011 9.813 1.00 0.00 C ATOM 0 H PHE A 45 -4.957 -1.697 6.312 1.00 0.00 H new ATOM 0 HA PHE A 45 -7.673 -2.613 5.879 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -7.687 -3.659 8.217 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -6.959 -4.605 6.934 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -4.336 -4.220 6.639 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -6.521 -3.426 10.208 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -2.263 -4.397 7.945 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -4.450 -3.600 11.517 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.316 -4.090 10.388 1.00 0.00 H new ATOM 662 N SER A 46 -8.445 -0.852 7.490 1.00 0.00 N ATOM 663 CA SER A 46 -8.859 0.333 8.232 1.00 0.00 C ATOM 664 C SER A 46 -9.034 0.013 9.713 1.00 0.00 C ATOM 665 O SER A 46 -9.554 -1.043 10.074 1.00 0.00 O ATOM 666 CB SER A 46 -10.164 0.888 7.660 1.00 0.00 C ATOM 667 OG SER A 46 -10.125 0.928 6.244 1.00 0.00 O ATOM 0 H SER A 46 -9.209 -1.354 7.037 1.00 0.00 H new ATOM 0 HA SER A 46 -8.078 1.086 8.131 1.00 0.00 H new ATOM 0 HB2 SER A 46 -11.000 0.269 7.986 1.00 0.00 H new ATOM 0 HB3 SER A 46 -10.338 1.891 8.050 1.00 0.00 H new ATOM 0 HG SER A 46 -10.972 1.285 5.903 1.00 0.00 H new ATOM 673 N VAL A 47 -8.598 0.933 10.567 1.00 0.00 N ATOM 674 CA VAL A 47 -8.707 0.751 12.009 1.00 0.00 C ATOM 675 C VAL A 47 -9.481 1.897 12.651 1.00 0.00 C ATOM 676 O VAL A 47 -9.321 3.057 12.271 1.00 0.00 O ATOM 677 CB VAL A 47 -7.319 0.650 12.669 1.00 0.00 C ATOM 678 CG1 VAL A 47 -7.451 0.283 14.139 1.00 0.00 C ATOM 679 CG2 VAL A 47 -6.452 -0.361 11.934 1.00 0.00 C ATOM 0 H VAL A 47 -8.166 1.813 10.285 1.00 0.00 H new ATOM 0 HA VAL A 47 -9.246 -0.183 12.170 1.00 0.00 H new ATOM 0 HB VAL A 47 -6.834 1.624 12.605 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -6.460 0.216 14.588 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -8.032 1.048 14.654 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -7.956 -0.679 14.230 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -5.475 -0.419 12.414 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -6.930 -1.340 11.964 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -6.329 -0.049 10.897 1.00 0.00 H new ATOM 689 N VAL A 48 -10.319 1.565 13.627 1.00 0.00 N ATOM 690 CA VAL A 48 -11.117 2.566 14.324 1.00 0.00 C ATOM 691 C VAL A 48 -10.282 3.795 14.665 1.00 0.00 C ATOM 692 O VAL A 48 -9.150 3.678 15.134 1.00 0.00 O ATOM 693 CB VAL A 48 -11.726 1.997 15.619 1.00 0.00 C ATOM 694 CG1 VAL A 48 -12.240 3.121 16.506 1.00 0.00 C ATOM 695 CG2 VAL A 48 -12.839 1.011 15.295 1.00 0.00 C ATOM 0 H VAL A 48 -10.463 0.609 13.953 1.00 0.00 H new ATOM 0 HA VAL A 48 -11.923 2.854 13.649 1.00 0.00 H new ATOM 0 HB VAL A 48 -10.946 1.464 16.164 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -12.667 2.700 17.416 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -11.416 3.786 16.765 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -13.006 3.684 15.973 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -13.258 0.618 16.221 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -13.621 1.518 14.729 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -12.436 0.190 14.702 1.00 0.00 H new ATOM 705 N GLY A 49 -10.847 4.974 14.426 1.00 0.00 N ATOM 706 CA GLY A 49 -10.140 6.208 14.714 1.00 0.00 C ATOM 707 C GLY A 49 -9.215 6.623 13.588 1.00 0.00 C ATOM 708 O GLY A 49 -9.075 7.810 13.296 1.00 0.00 O ATOM 0 H GLY A 49 -11.782 5.097 14.038 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -10.863 7.003 14.898 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -9.561 6.086 15.629 1.00 0.00 H new ATOM 712 N MET A 50 -8.580 5.642 12.954 1.00 0.00 N ATOM 713 CA MET A 50 -7.662 5.913 11.853 1.00 0.00 C ATOM 714 C MET A 50 -8.248 6.949 10.900 1.00 0.00 C ATOM 715 O MET A 50 -9.435 7.266 10.965 1.00 0.00 O ATOM 716 CB MET A 50 -7.350 4.622 11.093 1.00 0.00 C ATOM 717 CG MET A 50 -6.348 4.809 9.965 1.00 0.00 C ATOM 718 SD MET A 50 -5.805 3.244 9.252 1.00 0.00 S ATOM 719 CE MET A 50 -4.115 3.173 9.840 1.00 0.00 C ATOM 0 H MET A 50 -8.684 4.654 13.183 1.00 0.00 H new ATOM 0 HA MET A 50 -6.738 6.312 12.272 1.00 0.00 H new ATOM 0 HB2 MET A 50 -6.963 3.882 11.793 1.00 0.00 H new ATOM 0 HB3 MET A 50 -8.276 4.219 10.683 1.00 0.00 H new ATOM 0 HG2 MET A 50 -6.796 5.423 9.184 1.00 0.00 H new ATOM 0 HG3 MET A 50 -5.481 5.353 10.341 1.00 0.00 H new ATOM 0 HE1 MET A 50 -3.723 2.166 9.699 1.00 0.00 H new ATOM 0 HE2 MET A 50 -3.505 3.881 9.280 1.00 0.00 H new ATOM 0 HE3 MET A 50 -4.087 3.429 10.899 1.00 0.00 H new ATOM 729 N ASP A 51 -7.407 7.474 10.015 1.00 0.00 N ATOM 730 CA ASP A 51 -7.841 8.475 9.047 1.00 0.00 C ATOM 731 C ASP A 51 -8.234 7.819 7.727 1.00 0.00 C ATOM 732 O ASP A 51 -7.891 6.665 7.469 1.00 0.00 O ATOM 733 CB ASP A 51 -6.733 9.502 8.811 1.00 0.00 C ATOM 734 CG ASP A 51 -5.828 9.664 10.017 1.00 0.00 C ATOM 735 OD1 ASP A 51 -6.128 10.522 10.873 1.00 0.00 O ATOM 736 OD2 ASP A 51 -4.819 8.933 10.104 1.00 0.00 O ATOM 0 H ASP A 51 -6.421 7.223 9.948 1.00 0.00 H new ATOM 0 HA ASP A 51 -8.715 8.983 9.454 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -6.137 9.198 7.951 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -7.180 10.465 8.564 1.00 0.00 H new ATOM 741 N SER A 52 -8.955 8.563 6.894 1.00 0.00 N ATOM 742 CA SER A 52 -9.399 8.052 5.602 1.00 0.00 C ATOM 743 C SER A 52 -8.245 8.023 4.605 1.00 0.00 C ATOM 744 O SER A 52 -8.183 7.153 3.735 1.00 0.00 O ATOM 745 CB SER A 52 -10.539 8.912 5.055 1.00 0.00 C ATOM 746 OG SER A 52 -11.569 9.065 6.016 1.00 0.00 O ATOM 0 H SER A 52 -9.244 9.521 7.091 1.00 0.00 H new ATOM 0 HA SER A 52 -9.759 7.033 5.745 1.00 0.00 H new ATOM 0 HB2 SER A 52 -10.155 9.891 4.770 1.00 0.00 H new ATOM 0 HB3 SER A 52 -10.944 8.453 4.153 1.00 0.00 H new ATOM 0 HG SER A 52 -12.285 9.620 5.643 1.00 0.00 H new ATOM 752 N ASP A 53 -7.332 8.979 4.737 1.00 0.00 N ATOM 753 CA ASP A 53 -6.179 9.063 3.849 1.00 0.00 C ATOM 754 C ASP A 53 -5.018 8.231 4.385 1.00 0.00 C ATOM 755 O ASP A 53 -3.865 8.444 4.012 1.00 0.00 O ATOM 756 CB ASP A 53 -5.743 10.520 3.681 1.00 0.00 C ATOM 757 CG ASP A 53 -6.787 11.358 2.969 1.00 0.00 C ATOM 758 OD1 ASP A 53 -7.298 10.906 1.923 1.00 0.00 O ATOM 759 OD2 ASP A 53 -7.093 12.465 3.459 1.00 0.00 O ATOM 0 H ASP A 53 -7.368 9.707 5.451 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.470 8.664 2.877 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -5.542 10.951 4.662 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -4.809 10.554 3.120 1.00 0.00 H new ATOM 764 N TRP A 54 -5.332 7.284 5.261 1.00 0.00 N ATOM 765 CA TRP A 54 -4.314 6.420 5.849 1.00 0.00 C ATOM 766 C TRP A 54 -4.905 5.068 6.236 1.00 0.00 C ATOM 767 O TRP A 54 -5.955 4.998 6.876 1.00 0.00 O ATOM 768 CB TRP A 54 -3.695 7.089 7.077 1.00 0.00 C ATOM 769 CG TRP A 54 -2.874 8.298 6.744 1.00 0.00 C ATOM 770 CD1 TRP A 54 -3.323 9.579 6.599 1.00 0.00 C ATOM 771 CD2 TRP A 54 -1.461 8.337 6.513 1.00 0.00 C ATOM 772 NE1 TRP A 54 -2.274 10.413 6.291 1.00 0.00 N ATOM 773 CE2 TRP A 54 -1.122 9.675 6.233 1.00 0.00 C ATOM 774 CE3 TRP A 54 -0.450 7.372 6.516 1.00 0.00 C ATOM 775 CZ2 TRP A 54 0.185 10.069 5.960 1.00 0.00 C ATOM 776 CZ3 TRP A 54 0.846 7.765 6.244 1.00 0.00 C ATOM 777 CH2 TRP A 54 1.155 9.104 5.970 1.00 0.00 C ATOM 0 H TRP A 54 -6.282 7.095 5.580 1.00 0.00 H new ATOM 0 HA TRP A 54 -3.537 6.256 5.102 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -4.490 7.377 7.765 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -3.069 6.366 7.599 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -4.351 9.891 6.710 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -2.343 11.418 6.132 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -0.678 6.338 6.727 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 0.425 11.100 5.748 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 1.635 7.027 6.242 1.00 0.00 H new ATOM 0 HH2 TRP A 54 2.178 9.380 5.763 1.00 0.00 H new ATOM 788 N LEU A 55 -4.225 3.997 5.843 1.00 0.00 N ATOM 789 CA LEU A 55 -4.683 2.646 6.149 1.00 0.00 C ATOM 790 C LEU A 55 -3.652 1.898 6.987 1.00 0.00 C ATOM 791 O LEU A 55 -2.537 2.378 7.190 1.00 0.00 O ATOM 792 CB LEU A 55 -4.962 1.876 4.857 1.00 0.00 C ATOM 793 CG LEU A 55 -6.379 1.997 4.295 1.00 0.00 C ATOM 794 CD1 LEU A 55 -6.399 1.643 2.816 1.00 0.00 C ATOM 795 CD2 LEU A 55 -7.338 1.107 5.072 1.00 0.00 C ATOM 0 H LEU A 55 -3.355 4.037 5.312 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.605 2.724 6.725 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -4.261 2.217 4.096 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.752 0.821 5.034 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.706 3.031 4.404 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.416 1.735 2.434 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.743 2.322 2.271 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.052 0.618 2.682 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.342 1.206 4.659 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -7.014 0.069 4.995 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.346 1.408 6.120 1.00 0.00 H new ATOM 807 N MET A 56 -4.031 0.719 7.470 1.00 0.00 N ATOM 808 CA MET A 56 -3.137 -0.096 8.284 1.00 0.00 C ATOM 809 C MET A 56 -2.354 -1.076 7.416 1.00 0.00 C ATOM 810 O MET A 56 -2.877 -2.108 7.001 1.00 0.00 O ATOM 811 CB MET A 56 -3.933 -0.860 9.344 1.00 0.00 C ATOM 812 CG MET A 56 -3.147 -1.131 10.617 1.00 0.00 C ATOM 813 SD MET A 56 -2.548 0.380 11.397 1.00 0.00 S ATOM 814 CE MET A 56 -0.852 -0.071 11.753 1.00 0.00 C ATOM 0 H MET A 56 -4.951 0.307 7.312 1.00 0.00 H new ATOM 0 HA MET A 56 -2.430 0.569 8.780 1.00 0.00 H new ATOM 0 HB2 MET A 56 -4.829 -0.291 9.594 1.00 0.00 H new ATOM 0 HB3 MET A 56 -4.265 -1.809 8.923 1.00 0.00 H new ATOM 0 HG2 MET A 56 -3.778 -1.673 11.321 1.00 0.00 H new ATOM 0 HG3 MET A 56 -2.300 -1.777 10.386 1.00 0.00 H new ATOM 0 HE1 MET A 56 -0.296 0.816 12.056 1.00 0.00 H new ATOM 0 HE2 MET A 56 -0.832 -0.805 12.559 1.00 0.00 H new ATOM 0 HE3 MET A 56 -0.395 -0.499 10.861 1.00 0.00 H new ATOM 824 N GLY A 57 -1.095 -0.744 7.145 1.00 0.00 N ATOM 825 CA GLY A 57 -0.260 -1.604 6.327 1.00 0.00 C ATOM 826 C GLY A 57 0.618 -2.519 7.158 1.00 0.00 C ATOM 827 O GLY A 57 1.128 -2.118 8.203 1.00 0.00 O ATOM 0 H GLY A 57 -0.639 0.105 7.478 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.893 -2.206 5.675 1.00 0.00 H new ATOM 0 HA3 GLY A 57 0.368 -0.989 5.683 1.00 0.00 H new ATOM 831 N GLU A 58 0.793 -3.752 6.692 1.00 0.00 N ATOM 832 CA GLU A 58 1.614 -4.726 7.402 1.00 0.00 C ATOM 833 C GLU A 58 2.754 -5.223 6.518 1.00 0.00 C ATOM 834 O GLU A 58 2.530 -5.936 5.540 1.00 0.00 O ATOM 835 CB GLU A 58 0.758 -5.908 7.862 1.00 0.00 C ATOM 836 CG GLU A 58 1.480 -6.848 8.814 1.00 0.00 C ATOM 837 CD GLU A 58 0.545 -7.845 9.470 1.00 0.00 C ATOM 838 OE1 GLU A 58 -0.233 -8.497 8.742 1.00 0.00 O ATOM 839 OE2 GLU A 58 0.592 -7.973 10.711 1.00 0.00 O ATOM 0 H GLU A 58 0.378 -4.099 5.827 1.00 0.00 H new ATOM 0 HA GLU A 58 2.042 -4.235 8.276 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -0.139 -5.528 8.351 1.00 0.00 H new ATOM 0 HB3 GLU A 58 0.430 -6.471 6.988 1.00 0.00 H new ATOM 0 HG2 GLU A 58 2.255 -7.387 8.269 1.00 0.00 H new ATOM 0 HG3 GLU A 58 1.981 -6.263 9.586 1.00 0.00 H new ATOM 846 N ARG A 59 3.978 -4.841 6.869 1.00 0.00 N ATOM 847 CA ARG A 59 5.153 -5.246 6.108 1.00 0.00 C ATOM 848 C ARG A 59 6.326 -5.545 7.037 1.00 0.00 C ATOM 849 O ARG A 59 6.426 -4.986 8.128 1.00 0.00 O ATOM 850 CB ARG A 59 5.543 -4.153 5.112 1.00 0.00 C ATOM 851 CG ARG A 59 6.298 -4.674 3.900 1.00 0.00 C ATOM 852 CD ARG A 59 7.170 -3.593 3.280 1.00 0.00 C ATOM 853 NE ARG A 59 8.512 -3.574 3.857 1.00 0.00 N ATOM 854 CZ ARG A 59 9.301 -2.506 3.846 1.00 0.00 C ATOM 855 NH1 ARG A 59 8.886 -1.376 3.290 1.00 0.00 N ATOM 856 NH2 ARG A 59 10.509 -2.567 4.391 1.00 0.00 N ATOM 0 H ARG A 59 4.181 -4.251 7.676 1.00 0.00 H new ATOM 0 HA ARG A 59 4.905 -6.155 5.560 1.00 0.00 H new ATOM 0 HB2 ARG A 59 4.641 -3.642 4.775 1.00 0.00 H new ATOM 0 HB3 ARG A 59 6.158 -3.412 5.622 1.00 0.00 H new ATOM 0 HG2 ARG A 59 6.919 -5.520 4.193 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.589 -5.041 3.158 1.00 0.00 H new ATOM 0 HD2 ARG A 59 7.240 -3.756 2.205 1.00 0.00 H new ATOM 0 HD3 ARG A 59 6.699 -2.620 3.425 1.00 0.00 H new ATOM 0 HE ARG A 59 8.862 -4.428 4.292 1.00 0.00 H new ATOM 0 HH11 ARG A 59 7.958 -1.325 2.869 1.00 0.00 H new ATOM 0 HH12 ARG A 59 9.494 -0.557 3.283 1.00 0.00 H new ATOM 0 HH21 ARG A 59 10.832 -3.435 4.819 1.00 0.00 H new ATOM 0 HH22 ARG A 59 11.115 -1.746 4.382 1.00 0.00 H new ATOM 870 N GLY A 60 7.213 -6.433 6.595 1.00 0.00 N ATOM 871 CA GLY A 60 8.366 -6.791 7.399 1.00 0.00 C ATOM 872 C GLY A 60 8.022 -6.955 8.866 1.00 0.00 C ATOM 873 O GLY A 60 8.556 -6.246 9.718 1.00 0.00 O ATOM 0 H GLY A 60 7.153 -6.910 5.695 1.00 0.00 H new ATOM 0 HA2 GLY A 60 8.793 -7.721 7.023 1.00 0.00 H new ATOM 0 HA3 GLY A 60 9.132 -6.023 7.292 1.00 0.00 H new ATOM 877 N ASN A 61 7.127 -7.891 9.162 1.00 0.00 N ATOM 878 CA ASN A 61 6.710 -8.144 10.537 1.00 0.00 C ATOM 879 C ASN A 61 6.488 -6.834 11.287 1.00 0.00 C ATOM 880 O ASN A 61 6.769 -6.737 12.482 1.00 0.00 O ATOM 881 CB ASN A 61 7.759 -8.989 11.262 1.00 0.00 C ATOM 882 CG ASN A 61 7.263 -9.505 12.599 1.00 0.00 C ATOM 883 OD1 ASN A 61 6.068 -9.740 12.781 1.00 0.00 O ATOM 884 ND2 ASN A 61 8.180 -9.683 13.542 1.00 0.00 N ATOM 0 H ASN A 61 6.676 -8.487 8.468 1.00 0.00 H new ATOM 0 HA ASN A 61 5.768 -8.691 10.511 1.00 0.00 H new ATOM 0 HB2 ASN A 61 8.041 -9.833 10.632 1.00 0.00 H new ATOM 0 HB3 ASN A 61 8.658 -8.393 11.417 1.00 0.00 H new ATOM 0 HD21 ASN A 61 7.905 -10.028 14.462 1.00 0.00 H new ATOM 0 HD22 ASN A 61 9.159 -9.475 13.347 1.00 0.00 H new ATOM 891 N GLN A 62 5.982 -5.830 10.578 1.00 0.00 N ATOM 892 CA GLN A 62 5.723 -4.527 11.177 1.00 0.00 C ATOM 893 C GLN A 62 4.374 -3.978 10.724 1.00 0.00 C ATOM 894 O GLN A 62 3.831 -4.400 9.702 1.00 0.00 O ATOM 895 CB GLN A 62 6.835 -3.543 10.811 1.00 0.00 C ATOM 896 CG GLN A 62 8.077 -3.680 11.677 1.00 0.00 C ATOM 897 CD GLN A 62 9.013 -2.494 11.547 1.00 0.00 C ATOM 898 OE1 GLN A 62 8.870 -1.672 10.641 1.00 0.00 O ATOM 899 NE2 GLN A 62 9.979 -2.399 12.453 1.00 0.00 N ATOM 0 H GLN A 62 5.743 -5.894 9.588 1.00 0.00 H new ATOM 0 HA GLN A 62 5.700 -4.652 12.260 1.00 0.00 H new ATOM 0 HB2 GLN A 62 7.112 -3.692 9.767 1.00 0.00 H new ATOM 0 HB3 GLN A 62 6.452 -2.526 10.897 1.00 0.00 H new ATOM 0 HG2 GLN A 62 7.778 -3.790 12.719 1.00 0.00 H new ATOM 0 HG3 GLN A 62 8.609 -4.590 11.401 1.00 0.00 H new ATOM 0 HE21 GLN A 62 10.061 -3.103 13.187 1.00 0.00 H new ATOM 0 HE22 GLN A 62 10.639 -1.622 12.415 1.00 0.00 H new ATOM 908 N LYS A 63 3.836 -3.036 11.491 1.00 0.00 N ATOM 909 CA LYS A 63 2.551 -2.428 11.169 1.00 0.00 C ATOM 910 C LYS A 63 2.598 -0.916 11.369 1.00 0.00 C ATOM 911 O LYS A 63 3.283 -0.420 12.262 1.00 0.00 O ATOM 912 CB LYS A 63 1.445 -3.034 12.036 1.00 0.00 C ATOM 913 CG LYS A 63 1.419 -4.552 12.015 1.00 0.00 C ATOM 914 CD LYS A 63 0.367 -5.105 12.963 1.00 0.00 C ATOM 915 CE LYS A 63 -1.035 -4.938 12.398 1.00 0.00 C ATOM 916 NZ LYS A 63 -2.081 -5.256 13.409 1.00 0.00 N ATOM 0 H LYS A 63 4.271 -2.677 12.341 1.00 0.00 H new ATOM 0 HA LYS A 63 2.334 -2.631 10.120 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.574 -2.695 13.064 1.00 0.00 H new ATOM 0 HB3 LYS A 63 0.480 -2.658 11.695 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.216 -4.899 11.002 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.400 -4.938 12.293 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.562 -6.161 13.149 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.437 -4.594 13.923 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -1.166 -3.914 12.049 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -1.157 -5.588 11.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.023 -5.130 12.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -1.972 -6.241 13.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -1.980 -4.619 14.225 1.00 0.00 H new ATOM 930 N GLY A 64 1.863 -0.189 10.533 1.00 0.00 N ATOM 931 CA GLY A 64 1.835 1.258 10.637 1.00 0.00 C ATOM 932 C GLY A 64 0.793 1.884 9.731 1.00 0.00 C ATOM 933 O GLY A 64 -0.035 1.184 9.147 1.00 0.00 O ATOM 0 H GLY A 64 1.287 -0.576 9.786 1.00 0.00 H new ATOM 0 HA2 GLY A 64 1.631 1.541 11.670 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.818 1.656 10.385 1.00 0.00 H new ATOM 937 N LYS A 65 0.832 3.207 9.613 1.00 0.00 N ATOM 938 CA LYS A 65 -0.116 3.929 8.772 1.00 0.00 C ATOM 939 C LYS A 65 0.457 4.154 7.377 1.00 0.00 C ATOM 940 O LYS A 65 1.570 4.659 7.226 1.00 0.00 O ATOM 941 CB LYS A 65 -0.475 5.272 9.410 1.00 0.00 C ATOM 942 CG LYS A 65 -1.275 5.140 10.695 1.00 0.00 C ATOM 943 CD LYS A 65 -2.174 6.345 10.918 1.00 0.00 C ATOM 944 CE LYS A 65 -1.371 7.635 10.989 1.00 0.00 C ATOM 945 NZ LYS A 65 -2.043 8.661 11.833 1.00 0.00 N ATOM 0 H LYS A 65 1.510 3.801 10.089 1.00 0.00 H new ATOM 0 HA LYS A 65 -1.018 3.324 8.682 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.442 5.823 9.618 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -1.047 5.863 8.695 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -1.881 4.235 10.656 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -0.594 5.032 11.539 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -2.901 6.412 10.109 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -2.737 6.214 11.842 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -0.381 7.425 11.393 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -1.228 8.029 9.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -1.448 9.513 11.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -2.963 8.906 11.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -2.187 8.282 12.791 1.00 0.00 H new ATOM 959 N VAL A 66 -0.310 3.779 6.358 1.00 0.00 N ATOM 960 CA VAL A 66 0.120 3.943 4.975 1.00 0.00 C ATOM 961 C VAL A 66 -0.814 4.878 4.216 1.00 0.00 C ATOM 962 O VAL A 66 -2.038 4.786 4.311 1.00 0.00 O ATOM 963 CB VAL A 66 0.180 2.589 4.242 1.00 0.00 C ATOM 964 CG1 VAL A 66 1.303 1.729 4.800 1.00 0.00 C ATOM 965 CG2 VAL A 66 -1.156 1.869 4.344 1.00 0.00 C ATOM 0 H VAL A 66 -1.233 3.359 6.465 1.00 0.00 H new ATOM 0 HA VAL A 66 1.119 4.377 5.004 1.00 0.00 H new ATOM 0 HB VAL A 66 0.387 2.775 3.188 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.330 0.777 4.270 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.255 2.244 4.669 1.00 0.00 H new ATOM 0 HG13 VAL A 66 1.130 1.549 5.861 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.096 0.915 3.821 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -1.396 1.694 5.393 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -1.935 2.482 3.892 1.00 0.00 H new ATOM 975 N PRO A 67 -0.225 5.803 3.443 1.00 0.00 N ATOM 976 CA PRO A 67 -0.986 6.774 2.651 1.00 0.00 C ATOM 977 C PRO A 67 -1.719 6.122 1.483 1.00 0.00 C ATOM 978 O PRO A 67 -1.097 5.531 0.599 1.00 0.00 O ATOM 979 CB PRO A 67 0.090 7.734 2.138 1.00 0.00 C ATOM 980 CG PRO A 67 1.343 6.928 2.128 1.00 0.00 C ATOM 981 CD PRO A 67 1.229 5.971 3.282 1.00 0.00 C ATOM 0 HA PRO A 67 -1.764 7.260 3.240 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -0.151 8.103 1.141 1.00 0.00 H new ATOM 0 HB3 PRO A 67 0.185 8.605 2.786 1.00 0.00 H new ATOM 0 HG2 PRO A 67 1.454 6.392 1.186 1.00 0.00 H new ATOM 0 HG3 PRO A 67 2.219 7.567 2.236 1.00 0.00 H new ATOM 0 HD2 PRO A 67 1.722 5.023 3.068 1.00 0.00 H new ATOM 0 HD3 PRO A 67 1.690 6.373 4.184 1.00 0.00 H new ATOM 989 N ILE A 68 -3.043 6.233 1.485 1.00 0.00 N ATOM 990 CA ILE A 68 -3.859 5.656 0.425 1.00 0.00 C ATOM 991 C ILE A 68 -3.489 6.241 -0.934 1.00 0.00 C ATOM 992 O ILE A 68 -3.613 5.576 -1.963 1.00 0.00 O ATOM 993 CB ILE A 68 -5.360 5.889 0.680 1.00 0.00 C ATOM 994 CG1 ILE A 68 -5.859 4.969 1.797 1.00 0.00 C ATOM 995 CG2 ILE A 68 -6.156 5.661 -0.596 1.00 0.00 C ATOM 996 CD1 ILE A 68 -5.650 5.534 3.184 1.00 0.00 C ATOM 0 H ILE A 68 -3.573 6.717 2.209 1.00 0.00 H new ATOM 0 HA ILE A 68 -3.661 4.584 0.423 1.00 0.00 H new ATOM 0 HB ILE A 68 -5.503 6.923 0.995 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -6.921 4.775 1.649 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -5.346 4.010 1.723 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -7.215 5.830 -0.399 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -5.815 6.353 -1.366 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -6.009 4.637 -0.938 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -6.027 4.829 3.925 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -4.586 5.702 3.352 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -6.186 6.479 3.277 1.00 0.00 H new ATOM 1008 N THR A 69 -3.033 7.489 -0.930 1.00 0.00 N ATOM 1009 CA THR A 69 -2.644 8.164 -2.162 1.00 0.00 C ATOM 1010 C THR A 69 -1.501 7.430 -2.854 1.00 0.00 C ATOM 1011 O THR A 69 -1.263 7.617 -4.048 1.00 0.00 O ATOM 1012 CB THR A 69 -2.216 9.620 -1.894 1.00 0.00 C ATOM 1013 OG1 THR A 69 -1.359 9.675 -0.749 1.00 0.00 O ATOM 1014 CG2 THR A 69 -3.431 10.508 -1.669 1.00 0.00 C ATOM 0 H THR A 69 -2.924 8.053 -0.087 1.00 0.00 H new ATOM 0 HA THR A 69 -3.519 8.164 -2.812 1.00 0.00 H new ATOM 0 HB THR A 69 -1.677 9.985 -2.768 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.430 9.782 -1.041 1.00 0.00 H new ATOM 0 HG21 THR A 69 -3.104 11.531 -1.482 1.00 0.00 H new ATOM 0 HG22 THR A 69 -4.066 10.486 -2.554 1.00 0.00 H new ATOM 0 HG23 THR A 69 -3.994 10.144 -0.809 1.00 0.00 H new ATOM 1022 N TYR A 70 -0.798 6.594 -2.099 1.00 0.00 N ATOM 1023 CA TYR A 70 0.321 5.832 -2.640 1.00 0.00 C ATOM 1024 C TYR A 70 -0.085 4.388 -2.915 1.00 0.00 C ATOM 1025 O TYR A 70 0.637 3.643 -3.580 1.00 0.00 O ATOM 1026 CB TYR A 70 1.504 5.865 -1.670 1.00 0.00 C ATOM 1027 CG TYR A 70 2.188 7.212 -1.595 1.00 0.00 C ATOM 1028 CD1 TYR A 70 1.484 8.350 -1.221 1.00 0.00 C ATOM 1029 CD2 TYR A 70 3.538 7.345 -1.896 1.00 0.00 C ATOM 1030 CE1 TYR A 70 2.105 9.583 -1.152 1.00 0.00 C ATOM 1031 CE2 TYR A 70 4.167 8.573 -1.828 1.00 0.00 C ATOM 1032 CZ TYR A 70 3.446 9.689 -1.456 1.00 0.00 C ATOM 1033 OH TYR A 70 4.069 10.914 -1.387 1.00 0.00 O ATOM 0 H TYR A 70 -0.983 6.427 -1.110 1.00 0.00 H new ATOM 0 HA TYR A 70 0.619 6.292 -3.582 1.00 0.00 H new ATOM 0 HB2 TYR A 70 1.155 5.588 -0.675 1.00 0.00 H new ATOM 0 HB3 TYR A 70 2.233 5.113 -1.973 1.00 0.00 H new ATOM 0 HD1 TYR A 70 0.434 8.270 -0.980 1.00 0.00 H new ATOM 0 HD2 TYR A 70 4.105 6.474 -2.188 1.00 0.00 H new ATOM 0 HE1 TYR A 70 1.543 10.458 -0.862 1.00 0.00 H new ATOM 0 HE2 TYR A 70 5.217 8.659 -2.065 1.00 0.00 H new ATOM 0 HH TYR A 70 5.013 10.815 -1.631 1.00 0.00 H new ATOM 1043 N LEU A 71 -1.246 3.998 -2.399 1.00 0.00 N ATOM 1044 CA LEU A 71 -1.751 2.643 -2.589 1.00 0.00 C ATOM 1045 C LEU A 71 -2.920 2.630 -3.568 1.00 0.00 C ATOM 1046 O LEU A 71 -3.758 3.531 -3.561 1.00 0.00 O ATOM 1047 CB LEU A 71 -2.186 2.048 -1.249 1.00 0.00 C ATOM 1048 CG LEU A 71 -1.266 2.327 -0.060 1.00 0.00 C ATOM 1049 CD1 LEU A 71 -2.044 2.258 1.245 1.00 0.00 C ATOM 1050 CD2 LEU A 71 -0.104 1.345 -0.042 1.00 0.00 C ATOM 0 H LEU A 71 -1.855 4.601 -1.846 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.947 2.036 -3.005 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.179 2.428 -1.011 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.277 0.968 -1.366 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.863 3.334 -0.166 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.373 2.459 2.080 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.841 3.001 1.233 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.476 1.264 1.359 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.540 1.559 0.811 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -0.488 0.328 0.039 1.00 0.00 H new ATOM 0 HD23 LEU A 71 0.470 1.443 -0.963 1.00 0.00 H new ATOM 1062 N GLU A 72 -2.971 1.600 -4.407 1.00 0.00 N ATOM 1063 CA GLU A 72 -4.040 1.469 -5.391 1.00 0.00 C ATOM 1064 C GLU A 72 -4.844 0.194 -5.155 1.00 0.00 C ATOM 1065 O GLU A 72 -4.598 -0.834 -5.786 1.00 0.00 O ATOM 1066 CB GLU A 72 -3.461 1.465 -6.807 1.00 0.00 C ATOM 1067 CG GLU A 72 -4.454 1.022 -7.869 1.00 0.00 C ATOM 1068 CD GLU A 72 -4.051 1.460 -9.264 1.00 0.00 C ATOM 1069 OE1 GLU A 72 -3.801 2.669 -9.457 1.00 0.00 O ATOM 1070 OE2 GLU A 72 -3.984 0.595 -10.162 1.00 0.00 O ATOM 0 H GLU A 72 -2.286 0.845 -4.425 1.00 0.00 H new ATOM 0 HA GLU A 72 -4.707 2.324 -5.281 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -3.106 2.467 -7.048 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -2.594 0.805 -6.834 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -4.545 -0.064 -7.845 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -5.437 1.430 -7.634 1.00 0.00 H new ATOM 1077 N LEU A 73 -5.805 0.269 -4.241 1.00 0.00 N ATOM 1078 CA LEU A 73 -6.647 -0.879 -3.919 1.00 0.00 C ATOM 1079 C LEU A 73 -7.021 -1.650 -5.181 1.00 0.00 C ATOM 1080 O LEU A 73 -7.847 -1.199 -5.975 1.00 0.00 O ATOM 1081 CB LEU A 73 -7.913 -0.421 -3.194 1.00 0.00 C ATOM 1082 CG LEU A 73 -7.702 0.498 -1.990 1.00 0.00 C ATOM 1083 CD1 LEU A 73 -8.967 0.578 -1.151 1.00 0.00 C ATOM 1084 CD2 LEU A 73 -6.531 0.011 -1.147 1.00 0.00 C ATOM 0 H LEU A 73 -6.021 1.112 -3.710 1.00 0.00 H new ATOM 0 HA LEU A 73 -6.081 -1.541 -3.264 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -8.552 0.094 -3.911 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.456 -1.305 -2.860 1.00 0.00 H new ATOM 0 HG LEU A 73 -7.470 1.498 -2.357 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -8.797 1.236 -0.299 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -9.782 0.973 -1.758 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -9.230 -0.418 -0.794 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -6.395 0.676 -0.294 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -6.734 -0.999 -0.790 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -5.624 0.006 -1.752 1.00 0.00 H new ATOM 1096 N LEU A 74 -6.409 -2.816 -5.359 1.00 0.00 N ATOM 1097 CA LEU A 74 -6.679 -3.652 -6.523 1.00 0.00 C ATOM 1098 C LEU A 74 -8.064 -4.285 -6.429 1.00 0.00 C ATOM 1099 O LEU A 74 -8.226 -5.366 -5.866 1.00 0.00 O ATOM 1100 CB LEU A 74 -5.615 -4.743 -6.650 1.00 0.00 C ATOM 1101 CG LEU A 74 -4.167 -4.296 -6.441 1.00 0.00 C ATOM 1102 CD1 LEU A 74 -3.286 -5.486 -6.093 1.00 0.00 C ATOM 1103 CD2 LEU A 74 -3.644 -3.588 -7.682 1.00 0.00 C ATOM 0 H LEU A 74 -5.722 -3.204 -4.712 1.00 0.00 H new ATOM 0 HA LEU A 74 -6.648 -3.019 -7.409 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -5.840 -5.528 -5.928 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -5.697 -5.189 -7.641 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.140 -3.594 -5.608 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.260 -5.149 -5.948 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -3.648 -5.951 -5.176 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.318 -6.212 -6.905 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.613 -3.277 -7.516 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.685 -4.268 -8.533 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -4.259 -2.712 -7.887 1.00 0.00 H new ATOM 1115 N ASN A 75 -9.059 -3.604 -6.988 1.00 0.00 N ATOM 1116 CA ASN A 75 -10.430 -4.101 -6.969 1.00 0.00 C ATOM 1117 C ASN A 75 -10.656 -5.118 -8.083 1.00 0.00 C ATOM 1118 O ASN A 75 -11.008 -4.756 -9.206 1.00 0.00 O ATOM 1119 CB ASN A 75 -11.417 -2.940 -7.114 1.00 0.00 C ATOM 1120 CG ASN A 75 -11.037 -1.996 -8.238 1.00 0.00 C ATOM 1121 OD1 ASN A 75 -10.130 -1.070 -7.951 1.00 0.00 O flip ATOM 1122 ND2 ASN A 75 -11.554 -2.098 -9.351 1.00 0.00 N flip ATOM 0 H ASN A 75 -8.942 -2.707 -7.459 1.00 0.00 H new ATOM 0 HA ASN A 75 -10.598 -4.595 -6.012 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -12.416 -3.336 -7.298 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -11.462 -2.385 -6.177 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -12.247 -2.825 -9.527 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -11.289 -1.455 -10.097 1.00 0.00 H new ATOM 1129 N SER A 76 -10.452 -6.392 -7.765 1.00 0.00 N ATOM 1130 CA SER A 76 -10.630 -7.461 -8.740 1.00 0.00 C ATOM 1131 C SER A 76 -10.996 -8.771 -8.048 1.00 0.00 C ATOM 1132 O SER A 76 -10.330 -9.195 -7.104 1.00 0.00 O ATOM 1133 CB SER A 76 -9.354 -7.646 -9.564 1.00 0.00 C ATOM 1134 OG SER A 76 -9.048 -6.474 -10.299 1.00 0.00 O ATOM 0 H SER A 76 -10.163 -6.709 -6.840 1.00 0.00 H new ATOM 0 HA SER A 76 -11.446 -7.181 -9.405 1.00 0.00 H new ATOM 0 HB2 SER A 76 -8.523 -7.892 -8.903 1.00 0.00 H new ATOM 0 HB3 SER A 76 -9.477 -8.486 -10.248 1.00 0.00 H new ATOM 0 HG SER A 76 -8.228 -6.617 -10.816 1.00 0.00 H new ATOM 1140 N GLY A 77 -12.060 -9.408 -8.526 1.00 0.00 N ATOM 1141 CA GLY A 77 -12.498 -10.663 -7.943 1.00 0.00 C ATOM 1142 C GLY A 77 -11.782 -11.860 -8.538 1.00 0.00 C ATOM 1143 O GLY A 77 -11.098 -11.758 -9.556 1.00 0.00 O ATOM 0 H GLY A 77 -12.627 -9.078 -9.307 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -12.327 -10.639 -6.867 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -13.572 -10.774 -8.093 1.00 0.00 H new ATOM 1147 N PRO A 78 -11.934 -13.026 -7.893 1.00 0.00 N ATOM 1148 CA PRO A 78 -11.304 -14.269 -8.346 1.00 0.00 C ATOM 1149 C PRO A 78 -11.917 -14.792 -9.640 1.00 0.00 C ATOM 1150 O PRO A 78 -12.861 -14.208 -10.171 1.00 0.00 O ATOM 1151 CB PRO A 78 -11.572 -15.243 -7.196 1.00 0.00 C ATOM 1152 CG PRO A 78 -12.798 -14.717 -6.532 1.00 0.00 C ATOM 1153 CD PRO A 78 -12.735 -13.221 -6.673 1.00 0.00 C ATOM 0 HA PRO A 78 -10.246 -14.131 -8.568 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -11.725 -16.257 -7.564 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -10.731 -15.279 -6.503 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -13.698 -15.116 -7.001 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -12.829 -15.009 -5.482 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -13.729 -12.785 -6.771 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -12.266 -12.755 -5.806 1.00 0.00 H new ATOM 1161 N SER A 79 -11.374 -15.896 -10.143 1.00 0.00 N ATOM 1162 CA SER A 79 -11.866 -16.496 -11.378 1.00 0.00 C ATOM 1163 C SER A 79 -12.400 -17.902 -11.123 1.00 0.00 C ATOM 1164 O SER A 79 -11.667 -18.886 -11.230 1.00 0.00 O ATOM 1165 CB SER A 79 -10.752 -16.544 -12.426 1.00 0.00 C ATOM 1166 OG SER A 79 -11.286 -16.520 -13.739 1.00 0.00 O ATOM 0 H SER A 79 -10.593 -16.393 -9.714 1.00 0.00 H new ATOM 0 HA SER A 79 -12.682 -15.878 -11.753 1.00 0.00 H new ATOM 0 HB2 SER A 79 -10.081 -15.696 -12.287 1.00 0.00 H new ATOM 0 HB3 SER A 79 -10.157 -17.447 -12.288 1.00 0.00 H new ATOM 0 HG SER A 79 -10.554 -16.550 -14.390 1.00 0.00 H new ATOM 1172 N SER A 80 -13.683 -17.989 -10.787 1.00 0.00 N ATOM 1173 CA SER A 80 -14.316 -19.274 -10.513 1.00 0.00 C ATOM 1174 C SER A 80 -13.953 -20.298 -11.584 1.00 0.00 C ATOM 1175 O SER A 80 -14.354 -20.171 -12.740 1.00 0.00 O ATOM 1176 CB SER A 80 -15.836 -19.112 -10.440 1.00 0.00 C ATOM 1177 OG SER A 80 -16.246 -18.724 -9.140 1.00 0.00 O ATOM 0 H SER A 80 -14.305 -17.185 -10.698 1.00 0.00 H new ATOM 0 HA SER A 80 -13.949 -19.634 -9.552 1.00 0.00 H new ATOM 0 HB2 SER A 80 -16.160 -18.365 -11.165 1.00 0.00 H new ATOM 0 HB3 SER A 80 -16.318 -20.051 -10.712 1.00 0.00 H new ATOM 0 HG SER A 80 -17.221 -18.626 -9.120 1.00 0.00 H new ATOM 1183 N GLY A 81 -13.191 -21.313 -11.189 1.00 0.00 N ATOM 1184 CA GLY A 81 -12.786 -22.345 -12.126 1.00 0.00 C ATOM 1185 C GLY A 81 -12.862 -23.735 -11.527 1.00 0.00 C ATOM 1186 O GLY A 81 -12.438 -24.709 -12.147 1.00 0.00 O ATOM 0 H GLY A 81 -12.847 -21.439 -10.237 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -13.422 -22.299 -13.010 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -11.766 -22.151 -12.457 1.00 0.00 H new TER 1190 GLY A 81