USER MOD reduce.3.24.130724 H: found=0, std=0, add=588, rem=0, adj=24 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 : amide:sc= -4.46 K(o=-4.6,f=-0.051) USER MOD Set 1.2: A 32 THR OG1 : rot 180:sc= -0.0976 USER MOD Set 2.1: A 19 LYS NZ :NH3+ 176:sc= 0.477 (180deg=0) USER MOD Set 2.2: A 43 THR OG1 : rot -90:sc= 0.443 USER MOD Single : A 1 GLY N :NH3+ 139:sc= 0.0602 (180deg=0) USER MOD Single : A 2 SER OG : rot 13:sc= 0.644! 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= -1.79! K(o=-1.8!,f=-0.57) 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 140:sc= -0.86 USER MOD Single : A 16 ASN : amide:sc= -0.37 K(o=-0.37,f=-2.7!) USER MOD Single : A 17 ASN : amide:sc= -0.404 X(o=-0.4,f=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 136:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= -0.0354 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 50 MET CE :methyl 166:sc= -0.18 (180deg=-0.546) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 56 MET CE :methyl 172:sc= -5.69! (180deg=-6.04!) USER MOD Single : A 61 ASN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 160:sc= -1.55! (180deg=-2.15!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.0113 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 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 21.542 -11.101 16.861 1.00 0.00 N ATOM 2 CA GLY A 1 20.745 -10.508 15.803 1.00 0.00 C ATOM 3 C GLY A 1 19.929 -11.536 15.045 1.00 0.00 C ATOM 4 O GLY A 1 20.274 -12.718 15.023 1.00 0.00 O ATOM 0 H1 GLY A 1 22.482 -10.656 16.878 1.00 0.00 H new ATOM 0 H2 GLY A 1 21.071 -10.951 17.776 1.00 0.00 H new ATOM 0 H3 GLY A 1 21.645 -12.121 16.688 1.00 0.00 H new ATOM 0 HA2 GLY A 1 20.076 -9.762 16.231 1.00 0.00 H new ATOM 0 HA3 GLY A 1 21.402 -9.985 15.107 1.00 0.00 H new ATOM 8 N SER A 2 18.844 -11.087 14.424 1.00 0.00 N ATOM 9 CA SER A 2 17.973 -11.978 13.666 1.00 0.00 C ATOM 10 C SER A 2 17.436 -11.282 12.419 1.00 0.00 C ATOM 11 O SER A 2 16.794 -10.235 12.506 1.00 0.00 O ATOM 12 CB SER A 2 16.810 -12.453 14.539 1.00 0.00 C ATOM 13 OG SER A 2 15.841 -11.431 14.698 1.00 0.00 O ATOM 0 H SER A 2 18.546 -10.111 14.430 1.00 0.00 H new ATOM 0 HA SER A 2 18.561 -12.841 13.354 1.00 0.00 H new ATOM 0 HB2 SER A 2 16.347 -13.330 14.087 1.00 0.00 H new ATOM 0 HB3 SER A 2 17.185 -12.758 15.516 1.00 0.00 H new ATOM 0 HG SER A 2 16.019 -10.709 14.059 1.00 0.00 H new ATOM 19 N SER A 3 17.704 -11.872 11.258 1.00 0.00 N ATOM 20 CA SER A 3 17.253 -11.308 9.992 1.00 0.00 C ATOM 21 C SER A 3 16.655 -12.389 9.097 1.00 0.00 C ATOM 22 O SER A 3 17.107 -13.534 9.102 1.00 0.00 O ATOM 23 CB SER A 3 18.414 -10.620 9.272 1.00 0.00 C ATOM 24 OG SER A 3 18.947 -9.565 10.055 1.00 0.00 O ATOM 0 H SER A 3 18.231 -12.741 11.169 1.00 0.00 H new ATOM 0 HA SER A 3 16.480 -10.570 10.208 1.00 0.00 H new ATOM 0 HB2 SER A 3 19.196 -11.349 9.057 1.00 0.00 H new ATOM 0 HB3 SER A 3 18.071 -10.229 8.314 1.00 0.00 H new ATOM 0 HG SER A 3 19.689 -9.143 9.573 1.00 0.00 H new ATOM 30 N GLY A 4 15.634 -12.018 8.331 1.00 0.00 N ATOM 31 CA GLY A 4 14.990 -12.967 7.442 1.00 0.00 C ATOM 32 C GLY A 4 13.479 -12.934 7.556 1.00 0.00 C ATOM 33 O GLY A 4 12.882 -11.866 7.688 1.00 0.00 O ATOM 0 H GLY A 4 15.241 -11.077 8.310 1.00 0.00 H new ATOM 0 HA2 GLY A 4 15.279 -12.750 6.413 1.00 0.00 H new ATOM 0 HA3 GLY A 4 15.347 -13.972 7.668 1.00 0.00 H new ATOM 37 N SER A 5 12.857 -14.108 7.502 1.00 0.00 N ATOM 38 CA SER A 5 11.406 -14.209 7.595 1.00 0.00 C ATOM 39 C SER A 5 10.984 -14.722 8.969 1.00 0.00 C ATOM 40 O SER A 5 10.146 -14.118 9.639 1.00 0.00 O ATOM 41 CB SER A 5 10.867 -15.137 6.505 1.00 0.00 C ATOM 42 OG SER A 5 10.820 -14.478 5.251 1.00 0.00 O ATOM 0 H SER A 5 13.336 -15.002 7.394 1.00 0.00 H new ATOM 0 HA SER A 5 10.988 -13.212 7.454 1.00 0.00 H new ATOM 0 HB2 SER A 5 11.499 -16.022 6.431 1.00 0.00 H new ATOM 0 HB3 SER A 5 9.869 -15.481 6.776 1.00 0.00 H new ATOM 0 HG SER A 5 10.474 -15.093 4.571 1.00 0.00 H new ATOM 48 N SER A 6 11.570 -15.841 9.382 1.00 0.00 N ATOM 49 CA SER A 6 11.253 -16.439 10.674 1.00 0.00 C ATOM 50 C SER A 6 9.874 -17.089 10.647 1.00 0.00 C ATOM 51 O SER A 6 9.104 -16.978 11.601 1.00 0.00 O ATOM 52 CB SER A 6 11.310 -15.380 11.777 1.00 0.00 C ATOM 53 OG SER A 6 11.651 -15.960 13.024 1.00 0.00 O ATOM 0 H SER A 6 12.267 -16.352 8.841 1.00 0.00 H new ATOM 0 HA SER A 6 11.995 -17.210 10.882 1.00 0.00 H new ATOM 0 HB2 SER A 6 12.043 -14.617 11.515 1.00 0.00 H new ATOM 0 HB3 SER A 6 10.344 -14.881 11.857 1.00 0.00 H new ATOM 0 HG SER A 6 11.682 -15.262 13.712 1.00 0.00 H new ATOM 59 N GLY A 7 9.568 -17.769 9.546 1.00 0.00 N ATOM 60 CA GLY A 7 8.281 -18.428 9.415 1.00 0.00 C ATOM 61 C GLY A 7 7.423 -17.812 8.328 1.00 0.00 C ATOM 62 O GLY A 7 7.853 -16.889 7.635 1.00 0.00 O ATOM 0 H GLY A 7 10.188 -17.875 8.743 1.00 0.00 H new ATOM 0 HA2 GLY A 7 8.438 -19.484 9.195 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.751 -18.375 10.366 1.00 0.00 H new ATOM 66 N LEU A 8 6.206 -18.323 8.177 1.00 0.00 N ATOM 67 CA LEU A 8 5.284 -17.818 7.165 1.00 0.00 C ATOM 68 C LEU A 8 3.849 -17.827 7.682 1.00 0.00 C ATOM 69 O LEU A 8 3.277 -18.886 7.934 1.00 0.00 O ATOM 70 CB LEU A 8 5.385 -18.658 5.891 1.00 0.00 C ATOM 71 CG LEU A 8 5.052 -17.937 4.584 1.00 0.00 C ATOM 72 CD1 LEU A 8 5.761 -18.600 3.413 1.00 0.00 C ATOM 73 CD2 LEU A 8 3.547 -17.915 4.355 1.00 0.00 C ATOM 0 H LEU A 8 5.835 -19.087 8.742 1.00 0.00 H new ATOM 0 HA LEU A 8 5.561 -16.789 6.937 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.399 -19.051 5.818 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.718 -19.514 5.990 1.00 0.00 H new ATOM 0 HG LEU A 8 5.403 -16.908 4.660 1.00 0.00 H new ATOM 0 HD11 LEU A 8 5.512 -18.073 2.492 1.00 0.00 H new ATOM 0 HD12 LEU A 8 6.839 -18.563 3.572 1.00 0.00 H new ATOM 0 HD13 LEU A 8 5.441 -19.639 3.335 1.00 0.00 H new ATOM 0 HD21 LEU A 8 3.329 -17.398 3.421 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.172 -18.937 4.300 1.00 0.00 H new ATOM 0 HD23 LEU A 8 3.061 -17.394 5.180 1.00 0.00 H new ATOM 85 N ASN A 9 3.274 -16.639 7.835 1.00 0.00 N ATOM 86 CA ASN A 9 1.904 -16.510 8.321 1.00 0.00 C ATOM 87 C ASN A 9 0.904 -16.912 7.241 1.00 0.00 C ATOM 88 O ASN A 9 0.579 -16.120 6.356 1.00 0.00 O ATOM 89 CB ASN A 9 1.634 -15.074 8.772 1.00 0.00 C ATOM 90 CG ASN A 9 2.060 -14.052 7.736 1.00 0.00 C ATOM 91 OD1 ASN A 9 1.248 -13.586 6.937 1.00 0.00 O ATOM 92 ND2 ASN A 9 3.340 -13.698 7.745 1.00 0.00 N ATOM 0 H ASN A 9 3.734 -15.752 7.630 1.00 0.00 H new ATOM 0 HA ASN A 9 1.782 -17.180 9.172 1.00 0.00 H new ATOM 0 HB2 ASN A 9 0.571 -14.955 8.979 1.00 0.00 H new ATOM 0 HB3 ASN A 9 2.164 -14.884 9.705 1.00 0.00 H new ATOM 0 HD21 ASN A 9 3.685 -13.014 7.071 1.00 0.00 H new ATOM 0 HD22 ASN A 9 3.978 -14.110 8.426 1.00 0.00 H new ATOM 99 N ASP A 10 0.420 -18.147 7.321 1.00 0.00 N ATOM 100 CA ASP A 10 -0.544 -18.654 6.352 1.00 0.00 C ATOM 101 C ASP A 10 -1.973 -18.373 6.808 1.00 0.00 C ATOM 102 O ASP A 10 -2.236 -18.225 8.002 1.00 0.00 O ATOM 103 CB ASP A 10 -0.348 -20.156 6.143 1.00 0.00 C ATOM 104 CG ASP A 10 0.939 -20.476 5.410 1.00 0.00 C ATOM 105 OD1 ASP A 10 1.018 -20.188 4.197 1.00 0.00 O ATOM 106 OD2 ASP A 10 1.868 -21.014 6.048 1.00 0.00 O ATOM 0 H ASP A 10 0.680 -18.815 8.047 1.00 0.00 H new ATOM 0 HA ASP A 10 -0.376 -18.139 5.406 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -0.345 -20.657 7.111 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -1.192 -20.555 5.580 1.00 0.00 H new ATOM 111 N LEU A 11 -2.891 -18.300 5.851 1.00 0.00 N ATOM 112 CA LEU A 11 -4.293 -18.036 6.154 1.00 0.00 C ATOM 113 C LEU A 11 -4.920 -19.211 6.897 1.00 0.00 C ATOM 114 O LEU A 11 -4.327 -20.285 6.996 1.00 0.00 O ATOM 115 CB LEU A 11 -5.070 -17.758 4.866 1.00 0.00 C ATOM 116 CG LEU A 11 -4.698 -16.476 4.121 1.00 0.00 C ATOM 117 CD1 LEU A 11 -5.341 -16.454 2.743 1.00 0.00 C ATOM 118 CD2 LEU A 11 -5.114 -15.252 4.925 1.00 0.00 C ATOM 0 H LEU A 11 -2.690 -18.420 4.858 1.00 0.00 H new ATOM 0 HA LEU A 11 -4.341 -17.157 6.797 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -4.928 -18.601 4.190 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -6.132 -17.719 5.107 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.616 -16.453 3.995 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -5.065 -15.534 2.227 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -4.994 -17.311 2.166 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -6.425 -16.501 2.847 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.841 -14.349 4.380 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -6.192 -15.269 5.082 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.606 -15.261 5.890 1.00 0.00 H new ATOM 130 N LYS A 12 -6.125 -19.001 7.416 1.00 0.00 N ATOM 131 CA LYS A 12 -6.836 -20.043 8.147 1.00 0.00 C ATOM 132 C LYS A 12 -8.143 -20.403 7.448 1.00 0.00 C ATOM 133 O LYS A 12 -8.391 -21.567 7.138 1.00 0.00 O ATOM 134 CB LYS A 12 -7.121 -19.586 9.580 1.00 0.00 C ATOM 135 CG LYS A 12 -5.903 -19.636 10.487 1.00 0.00 C ATOM 136 CD LYS A 12 -5.600 -21.056 10.937 1.00 0.00 C ATOM 137 CE LYS A 12 -4.132 -21.225 11.295 1.00 0.00 C ATOM 138 NZ LYS A 12 -3.708 -22.652 11.234 1.00 0.00 N ATOM 0 H LYS A 12 -6.630 -18.118 7.344 1.00 0.00 H new ATOM 0 HA LYS A 12 -6.202 -20.930 8.174 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -7.506 -18.566 9.558 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -7.905 -20.213 10.004 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -5.040 -19.228 9.961 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -6.072 -19.005 11.360 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -6.217 -21.305 11.800 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.865 -21.755 10.144 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -3.521 -20.635 10.612 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -3.955 -20.836 12.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -2.701 -22.726 11.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -4.274 -23.211 11.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -3.853 -23.016 10.271 1.00 0.00 H new ATOM 152 N GLU A 13 -8.975 -19.395 7.203 1.00 0.00 N ATOM 153 CA GLU A 13 -10.256 -19.607 6.540 1.00 0.00 C ATOM 154 C GLU A 13 -10.415 -18.666 5.349 1.00 0.00 C ATOM 155 O GLU A 13 -10.740 -19.097 4.243 1.00 0.00 O ATOM 156 CB GLU A 13 -11.407 -19.397 7.526 1.00 0.00 C ATOM 157 CG GLU A 13 -11.468 -20.447 8.623 1.00 0.00 C ATOM 158 CD GLU A 13 -12.411 -20.063 9.747 1.00 0.00 C ATOM 159 OE1 GLU A 13 -13.633 -19.993 9.497 1.00 0.00 O ATOM 160 OE2 GLU A 13 -11.928 -19.832 10.875 1.00 0.00 O ATOM 0 H GLU A 13 -8.785 -18.425 7.454 1.00 0.00 H new ATOM 0 HA GLU A 13 -10.281 -20.634 6.176 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -11.308 -18.412 7.982 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -12.349 -19.401 6.978 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -11.788 -21.397 8.194 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -10.468 -20.601 9.029 1.00 0.00 H new ATOM 167 N SER A 14 -10.183 -17.379 5.585 1.00 0.00 N ATOM 168 CA SER A 14 -10.304 -16.375 4.533 1.00 0.00 C ATOM 169 C SER A 14 -9.439 -15.157 4.843 1.00 0.00 C ATOM 170 O SER A 14 -9.212 -14.823 6.006 1.00 0.00 O ATOM 171 CB SER A 14 -11.764 -15.951 4.370 1.00 0.00 C ATOM 172 OG SER A 14 -12.313 -15.527 5.606 1.00 0.00 O ATOM 0 H SER A 14 -9.910 -17.006 6.495 1.00 0.00 H new ATOM 0 HA SER A 14 -9.956 -16.817 3.600 1.00 0.00 H new ATOM 0 HB2 SER A 14 -11.832 -15.143 3.642 1.00 0.00 H new ATOM 0 HB3 SER A 14 -12.346 -16.784 3.977 1.00 0.00 H new ATOM 0 HG SER A 14 -13.247 -15.260 5.475 1.00 0.00 H new ATOM 178 N SER A 15 -8.960 -14.497 3.794 1.00 0.00 N ATOM 179 CA SER A 15 -8.118 -13.317 3.952 1.00 0.00 C ATOM 180 C SER A 15 -8.923 -12.144 4.502 1.00 0.00 C ATOM 181 O SER A 15 -9.587 -11.428 3.754 1.00 0.00 O ATOM 182 CB SER A 15 -7.485 -12.933 2.613 1.00 0.00 C ATOM 183 OG SER A 15 -6.261 -13.619 2.412 1.00 0.00 O ATOM 0 H SER A 15 -9.141 -14.759 2.825 1.00 0.00 H new ATOM 0 HA SER A 15 -7.328 -13.558 4.664 1.00 0.00 H new ATOM 0 HB2 SER A 15 -8.174 -13.167 1.801 1.00 0.00 H new ATOM 0 HB3 SER A 15 -7.312 -11.857 2.584 1.00 0.00 H new ATOM 0 HG SER A 15 -6.193 -13.900 1.476 1.00 0.00 H new ATOM 189 N ASN A 16 -8.858 -11.955 5.816 1.00 0.00 N ATOM 190 CA ASN A 16 -9.582 -10.869 6.468 1.00 0.00 C ATOM 191 C ASN A 16 -8.787 -9.568 6.401 1.00 0.00 C ATOM 192 O ASN A 16 -8.644 -8.864 7.399 1.00 0.00 O ATOM 193 CB ASN A 16 -9.874 -11.227 7.927 1.00 0.00 C ATOM 194 CG ASN A 16 -10.937 -10.335 8.539 1.00 0.00 C ATOM 195 OD1 ASN A 16 -11.202 -9.239 8.047 1.00 0.00 O ATOM 196 ND2 ASN A 16 -11.552 -10.804 9.619 1.00 0.00 N ATOM 0 H ASN A 16 -8.312 -12.539 6.450 1.00 0.00 H new ATOM 0 HA ASN A 16 -10.525 -10.725 5.940 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -10.198 -12.266 7.986 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -8.956 -11.146 8.509 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -12.277 -10.249 10.075 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -11.300 -11.719 9.993 1.00 0.00 H new ATOM 203 N ASN A 17 -8.273 -9.256 5.216 1.00 0.00 N ATOM 204 CA ASN A 17 -7.492 -8.040 5.018 1.00 0.00 C ATOM 205 C ASN A 17 -7.513 -7.613 3.553 1.00 0.00 C ATOM 206 O ASN A 17 -7.608 -8.448 2.654 1.00 0.00 O ATOM 207 CB ASN A 17 -6.049 -8.255 5.477 1.00 0.00 C ATOM 208 CG ASN A 17 -5.498 -9.600 5.044 1.00 0.00 C ATOM 209 OD1 ASN A 17 -5.284 -10.490 5.867 1.00 0.00 O ATOM 210 ND2 ASN A 17 -5.266 -9.753 3.745 1.00 0.00 N ATOM 0 H ASN A 17 -8.383 -9.828 4.379 1.00 0.00 H new ATOM 0 HA ASN A 17 -7.942 -7.248 5.616 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -5.420 -7.461 5.074 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -6.001 -8.179 6.563 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -4.895 -10.636 3.394 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -5.458 -8.988 3.099 1.00 0.00 H new ATOM 217 N ARG A 18 -7.424 -6.307 3.322 1.00 0.00 N ATOM 218 CA ARG A 18 -7.434 -5.768 1.968 1.00 0.00 C ATOM 219 C ARG A 18 -6.026 -5.752 1.379 1.00 0.00 C ATOM 220 O ARG A 18 -5.036 -5.798 2.109 1.00 0.00 O ATOM 221 CB ARG A 18 -8.016 -4.354 1.962 1.00 0.00 C ATOM 222 CG ARG A 18 -9.528 -4.318 1.808 1.00 0.00 C ATOM 223 CD ARG A 18 -9.997 -2.995 1.223 1.00 0.00 C ATOM 224 NE ARG A 18 -10.059 -1.942 2.233 1.00 0.00 N ATOM 225 CZ ARG A 18 -10.701 -0.792 2.058 1.00 0.00 C ATOM 226 NH1 ARG A 18 -11.333 -0.549 0.918 1.00 0.00 N ATOM 227 NH2 ARG A 18 -10.713 0.117 3.024 1.00 0.00 N ATOM 0 H ARG A 18 -7.344 -5.603 4.056 1.00 0.00 H new ATOM 0 HA ARG A 18 -8.060 -6.413 1.352 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -7.742 -3.854 2.891 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -7.563 -3.787 1.149 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -9.849 -5.136 1.163 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -9.998 -4.475 2.779 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -9.320 -2.692 0.424 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -10.982 -3.126 0.774 1.00 0.00 H new ATOM 0 HE ARG A 18 -9.583 -2.098 3.122 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -11.327 -1.246 0.173 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -11.825 0.335 0.786 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -10.229 -0.066 3.903 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -11.206 0.999 2.888 1.00 0.00 H new ATOM 241 N LYS A 19 -5.945 -5.687 0.054 1.00 0.00 N ATOM 242 CA LYS A 19 -4.660 -5.664 -0.634 1.00 0.00 C ATOM 243 C LYS A 19 -4.590 -4.502 -1.619 1.00 0.00 C ATOM 244 O LYS A 19 -5.582 -4.163 -2.263 1.00 0.00 O ATOM 245 CB LYS A 19 -4.429 -6.986 -1.370 1.00 0.00 C ATOM 246 CG LYS A 19 -4.231 -8.173 -0.443 1.00 0.00 C ATOM 247 CD LYS A 19 -2.772 -8.341 -0.056 1.00 0.00 C ATOM 248 CE LYS A 19 -2.452 -9.786 0.295 1.00 0.00 C ATOM 249 NZ LYS A 19 -1.296 -9.887 1.228 1.00 0.00 N ATOM 0 H LYS A 19 -6.755 -5.649 -0.565 1.00 0.00 H new ATOM 0 HA LYS A 19 -3.878 -5.530 0.114 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -5.280 -7.183 -2.021 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.553 -6.887 -2.011 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.833 -8.039 0.455 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.586 -9.081 -0.932 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -2.136 -8.016 -0.880 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -2.544 -7.699 0.795 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -3.327 -10.252 0.749 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -2.232 -10.341 -0.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -1.152 -10.881 1.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -0.440 -9.527 0.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -1.488 -9.323 2.080 1.00 0.00 H new ATOM 263 N ALA A 20 -3.413 -3.897 -1.731 1.00 0.00 N ATOM 264 CA ALA A 20 -3.214 -2.775 -2.641 1.00 0.00 C ATOM 265 C ALA A 20 -1.776 -2.726 -3.145 1.00 0.00 C ATOM 266 O ALA A 20 -0.862 -3.235 -2.496 1.00 0.00 O ATOM 267 CB ALA A 20 -3.580 -1.468 -1.954 1.00 0.00 C ATOM 0 H ALA A 20 -2.582 -4.164 -1.203 1.00 0.00 H new ATOM 0 HA ALA A 20 -3.868 -2.916 -3.502 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.427 -0.639 -2.645 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -4.626 -1.498 -1.649 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -2.950 -1.330 -1.075 1.00 0.00 H new ATOM 273 N ARG A 21 -1.582 -2.110 -4.307 1.00 0.00 N ATOM 274 CA ARG A 21 -0.255 -1.996 -4.899 1.00 0.00 C ATOM 275 C ARG A 21 0.294 -0.582 -4.736 1.00 0.00 C ATOM 276 O ARG A 21 -0.381 0.398 -5.052 1.00 0.00 O ATOM 277 CB ARG A 21 -0.301 -2.369 -6.382 1.00 0.00 C ATOM 278 CG ARG A 21 0.936 -1.941 -7.156 1.00 0.00 C ATOM 279 CD ARG A 21 0.692 -1.972 -8.657 1.00 0.00 C ATOM 280 NE ARG A 21 0.320 -3.305 -9.124 1.00 0.00 N ATOM 281 CZ ARG A 21 0.383 -3.682 -10.396 1.00 0.00 C ATOM 282 NH1 ARG A 21 0.802 -2.831 -11.323 1.00 0.00 N ATOM 283 NH2 ARG A 21 0.028 -4.913 -10.743 1.00 0.00 N ATOM 0 H ARG A 21 -2.327 -1.682 -4.857 1.00 0.00 H new ATOM 0 HA ARG A 21 0.408 -2.687 -4.378 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -0.421 -3.449 -6.473 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -1.180 -1.911 -6.836 1.00 0.00 H new ATOM 0 HG2 ARG A 21 1.225 -0.934 -6.854 1.00 0.00 H new ATOM 0 HG3 ARG A 21 1.768 -2.600 -6.908 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -0.098 -1.266 -8.910 1.00 0.00 H new ATOM 0 HD3 ARG A 21 1.592 -1.644 -9.177 1.00 0.00 H new ATOM 0 HE ARG A 21 -0.006 -3.983 -8.436 1.00 0.00 H new ATOM 0 HH11 ARG A 21 1.077 -1.885 -11.060 1.00 0.00 H new ATOM 0 HH12 ARG A 21 0.850 -3.123 -12.299 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -0.294 -5.570 -10.033 1.00 0.00 H new ATOM 0 HH22 ARG A 21 0.077 -5.202 -11.720 1.00 0.00 H new ATOM 297 N VAL A 22 1.523 -0.483 -4.239 1.00 0.00 N ATOM 298 CA VAL A 22 2.163 0.811 -4.034 1.00 0.00 C ATOM 299 C VAL A 22 2.552 1.448 -5.363 1.00 0.00 C ATOM 300 O VAL A 22 3.145 0.799 -6.226 1.00 0.00 O ATOM 301 CB VAL A 22 3.419 0.682 -3.152 1.00 0.00 C ATOM 302 CG1 VAL A 22 4.163 2.008 -3.085 1.00 0.00 C ATOM 303 CG2 VAL A 22 3.043 0.202 -1.758 1.00 0.00 C ATOM 0 H VAL A 22 2.095 -1.284 -3.971 1.00 0.00 H new ATOM 0 HA VAL A 22 1.437 1.447 -3.528 1.00 0.00 H new ATOM 0 HB VAL A 22 4.083 -0.058 -3.600 1.00 0.00 H new ATOM 0 HG11 VAL A 22 5.047 1.898 -2.458 1.00 0.00 H new ATOM 0 HG12 VAL A 22 4.465 2.307 -4.089 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.510 2.771 -2.661 1.00 0.00 H new ATOM 0 HG21 VAL A 22 3.942 0.116 -1.148 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.360 0.917 -1.299 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.557 -0.771 -1.827 1.00 0.00 H new ATOM 313 N LEU A 23 2.216 2.724 -5.522 1.00 0.00 N ATOM 314 CA LEU A 23 2.530 3.451 -6.747 1.00 0.00 C ATOM 315 C LEU A 23 3.892 4.129 -6.643 1.00 0.00 C ATOM 316 O LEU A 23 4.574 4.335 -7.648 1.00 0.00 O ATOM 317 CB LEU A 23 1.449 4.494 -7.037 1.00 0.00 C ATOM 318 CG LEU A 23 0.007 4.054 -6.782 1.00 0.00 C ATOM 319 CD1 LEU A 23 -0.958 5.193 -7.073 1.00 0.00 C ATOM 320 CD2 LEU A 23 -0.335 2.834 -7.626 1.00 0.00 C ATOM 0 H LEU A 23 1.726 3.276 -4.818 1.00 0.00 H new ATOM 0 HA LEU A 23 2.563 2.734 -7.567 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.651 5.376 -6.430 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.536 4.798 -8.080 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.090 3.783 -5.731 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.979 4.861 -6.886 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.727 6.040 -6.426 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.860 5.496 -8.116 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.365 2.534 -7.432 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.221 3.079 -8.682 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.336 2.014 -7.369 1.00 0.00 H new ATOM 332 N TYR A 24 4.284 4.473 -5.421 1.00 0.00 N ATOM 333 CA TYR A 24 5.565 5.128 -5.185 1.00 0.00 C ATOM 334 C TYR A 24 6.139 4.731 -3.829 1.00 0.00 C ATOM 335 O TYR A 24 5.398 4.490 -2.875 1.00 0.00 O ATOM 336 CB TYR A 24 5.405 6.648 -5.258 1.00 0.00 C ATOM 337 CG TYR A 24 4.476 7.107 -6.359 1.00 0.00 C ATOM 338 CD1 TYR A 24 3.109 7.223 -6.138 1.00 0.00 C ATOM 339 CD2 TYR A 24 4.966 7.426 -7.620 1.00 0.00 C ATOM 340 CE1 TYR A 24 2.257 7.642 -7.142 1.00 0.00 C ATOM 341 CE2 TYR A 24 4.121 7.846 -8.628 1.00 0.00 C ATOM 342 CZ TYR A 24 2.768 7.952 -8.385 1.00 0.00 C ATOM 343 OH TYR A 24 1.922 8.371 -9.387 1.00 0.00 O ATOM 0 H TYR A 24 3.733 4.309 -4.579 1.00 0.00 H new ATOM 0 HA TYR A 24 6.258 4.804 -5.961 1.00 0.00 H new ATOM 0 HB2 TYR A 24 5.029 7.012 -4.302 1.00 0.00 H new ATOM 0 HB3 TYR A 24 6.385 7.101 -5.408 1.00 0.00 H new ATOM 0 HD1 TYR A 24 2.706 6.982 -5.166 1.00 0.00 H new ATOM 0 HD2 TYR A 24 6.025 7.344 -7.815 1.00 0.00 H new ATOM 0 HE1 TYR A 24 1.197 7.726 -6.954 1.00 0.00 H new ATOM 0 HE2 TYR A 24 4.518 8.090 -9.602 1.00 0.00 H new ATOM 0 HH TYR A 24 2.440 8.550 -10.199 1.00 0.00 H new ATOM 353 N ASP A 25 7.463 4.664 -3.751 1.00 0.00 N ATOM 354 CA ASP A 25 8.139 4.297 -2.512 1.00 0.00 C ATOM 355 C ASP A 25 7.989 5.396 -1.465 1.00 0.00 C ATOM 356 O ASP A 25 8.504 6.502 -1.633 1.00 0.00 O ATOM 357 CB ASP A 25 9.621 4.025 -2.775 1.00 0.00 C ATOM 358 CG ASP A 25 10.237 5.038 -3.719 1.00 0.00 C ATOM 359 OD1 ASP A 25 10.012 4.922 -4.942 1.00 0.00 O ATOM 360 OD2 ASP A 25 10.944 5.947 -3.236 1.00 0.00 O ATOM 0 H ASP A 25 8.090 4.859 -4.531 1.00 0.00 H new ATOM 0 HA ASP A 25 7.674 3.389 -2.129 1.00 0.00 H new ATOM 0 HB2 ASP A 25 10.163 4.037 -1.829 1.00 0.00 H new ATOM 0 HB3 ASP A 25 9.735 3.025 -3.195 1.00 0.00 H new ATOM 365 N TYR A 26 7.280 5.086 -0.386 1.00 0.00 N ATOM 366 CA TYR A 26 7.059 6.048 0.687 1.00 0.00 C ATOM 367 C TYR A 26 8.060 5.842 1.819 1.00 0.00 C ATOM 368 O TYR A 26 8.529 4.727 2.053 1.00 0.00 O ATOM 369 CB TYR A 26 5.632 5.926 1.224 1.00 0.00 C ATOM 370 CG TYR A 26 5.365 6.790 2.436 1.00 0.00 C ATOM 371 CD1 TYR A 26 5.187 8.162 2.310 1.00 0.00 C ATOM 372 CD2 TYR A 26 5.290 6.234 3.707 1.00 0.00 C ATOM 373 CE1 TYR A 26 4.944 8.955 3.415 1.00 0.00 C ATOM 374 CE2 TYR A 26 5.046 7.019 4.817 1.00 0.00 C ATOM 375 CZ TYR A 26 4.875 8.379 4.666 1.00 0.00 C ATOM 376 OH TYR A 26 4.631 9.166 5.769 1.00 0.00 O ATOM 0 H TYR A 26 6.848 4.175 -0.231 1.00 0.00 H new ATOM 0 HA TYR A 26 7.202 7.048 0.278 1.00 0.00 H new ATOM 0 HB2 TYR A 26 4.931 6.196 0.434 1.00 0.00 H new ATOM 0 HB3 TYR A 26 5.437 4.885 1.481 1.00 0.00 H new ATOM 0 HD1 TYR A 26 5.239 8.616 1.332 1.00 0.00 H new ATOM 0 HD2 TYR A 26 5.425 5.169 3.829 1.00 0.00 H new ATOM 0 HE1 TYR A 26 4.809 10.020 3.300 1.00 0.00 H new ATOM 0 HE2 TYR A 26 4.989 6.570 5.798 1.00 0.00 H new ATOM 0 HH TYR A 26 3.971 8.726 6.345 1.00 0.00 H new ATOM 386 N ASP A 27 8.382 6.923 2.520 1.00 0.00 N ATOM 387 CA ASP A 27 9.326 6.862 3.630 1.00 0.00 C ATOM 388 C ASP A 27 8.659 7.283 4.935 1.00 0.00 C ATOM 389 O ASP A 27 8.413 8.467 5.164 1.00 0.00 O ATOM 390 CB ASP A 27 10.535 7.757 3.349 1.00 0.00 C ATOM 391 CG ASP A 27 11.643 7.021 2.621 1.00 0.00 C ATOM 392 OD1 ASP A 27 11.617 6.996 1.373 1.00 0.00 O ATOM 393 OD2 ASP A 27 12.535 6.470 3.299 1.00 0.00 O ATOM 0 H ASP A 27 8.003 7.853 2.339 1.00 0.00 H new ATOM 0 HA ASP A 27 9.663 5.830 3.732 1.00 0.00 H new ATOM 0 HB2 ASP A 27 10.219 8.613 2.753 1.00 0.00 H new ATOM 0 HB3 ASP A 27 10.920 8.149 4.290 1.00 0.00 H new ATOM 398 N ALA A 28 8.367 6.306 5.787 1.00 0.00 N ATOM 399 CA ALA A 28 7.728 6.575 7.069 1.00 0.00 C ATOM 400 C ALA A 28 8.507 7.619 7.862 1.00 0.00 C ATOM 401 O ALA A 28 9.730 7.541 7.974 1.00 0.00 O ATOM 402 CB ALA A 28 7.596 5.290 7.873 1.00 0.00 C ATOM 0 H ALA A 28 8.563 5.320 5.612 1.00 0.00 H new ATOM 0 HA ALA A 28 6.732 6.973 6.874 1.00 0.00 H new ATOM 0 HB1 ALA A 28 7.117 5.506 8.828 1.00 0.00 H new ATOM 0 HB2 ALA A 28 6.991 4.574 7.317 1.00 0.00 H new ATOM 0 HB3 ALA A 28 8.585 4.869 8.050 1.00 0.00 H new ATOM 408 N ALA A 29 7.791 8.596 8.409 1.00 0.00 N ATOM 409 CA ALA A 29 8.416 9.655 9.192 1.00 0.00 C ATOM 410 C ALA A 29 8.584 9.234 10.648 1.00 0.00 C ATOM 411 O ALA A 29 9.559 9.602 11.302 1.00 0.00 O ATOM 412 CB ALA A 29 7.595 10.933 9.101 1.00 0.00 C ATOM 0 H ALA A 29 6.778 8.676 8.324 1.00 0.00 H new ATOM 0 HA ALA A 29 9.407 9.843 8.779 1.00 0.00 H new ATOM 0 HB1 ALA A 29 8.073 11.715 9.690 1.00 0.00 H new ATOM 0 HB2 ALA A 29 7.531 11.251 8.060 1.00 0.00 H new ATOM 0 HB3 ALA A 29 6.592 10.750 9.487 1.00 0.00 H new ATOM 418 N ASN A 30 7.626 8.462 11.150 1.00 0.00 N ATOM 419 CA ASN A 30 7.668 7.992 12.531 1.00 0.00 C ATOM 420 C ASN A 30 7.279 6.519 12.616 1.00 0.00 C ATOM 421 O ASN A 30 6.697 5.965 11.684 1.00 0.00 O ATOM 422 CB ASN A 30 6.732 8.830 13.405 1.00 0.00 C ATOM 423 CG ASN A 30 5.538 9.358 12.633 1.00 0.00 C ATOM 424 OD1 ASN A 30 5.229 10.548 12.685 1.00 0.00 O ATOM 425 ND2 ASN A 30 4.861 8.472 11.912 1.00 0.00 N ATOM 0 H ASN A 30 6.811 8.148 10.622 1.00 0.00 H new ATOM 0 HA ASN A 30 8.689 8.101 12.896 1.00 0.00 H new ATOM 0 HB2 ASN A 30 6.382 8.225 14.241 1.00 0.00 H new ATOM 0 HB3 ASN A 30 7.287 9.667 13.828 1.00 0.00 H new ATOM 0 HD21 ASN A 30 4.048 8.768 11.372 1.00 0.00 H new ATOM 0 HD22 ASN A 30 5.154 7.495 11.899 1.00 0.00 H new ATOM 432 N SER A 31 7.604 5.892 13.742 1.00 0.00 N ATOM 433 CA SER A 31 7.292 4.482 13.949 1.00 0.00 C ATOM 434 C SER A 31 5.877 4.164 13.473 1.00 0.00 C ATOM 435 O SER A 31 5.679 3.327 12.591 1.00 0.00 O ATOM 436 CB SER A 31 7.439 4.117 15.427 1.00 0.00 C ATOM 437 OG SER A 31 6.709 5.011 16.249 1.00 0.00 O ATOM 0 H SER A 31 8.083 6.337 14.525 1.00 0.00 H new ATOM 0 HA SER A 31 7.996 3.889 13.364 1.00 0.00 H new ATOM 0 HB2 SER A 31 7.087 3.098 15.590 1.00 0.00 H new ATOM 0 HB3 SER A 31 8.492 4.139 15.707 1.00 0.00 H new ATOM 0 HG SER A 31 6.818 4.755 17.189 1.00 0.00 H new ATOM 443 N THR A 32 4.895 4.837 14.065 1.00 0.00 N ATOM 444 CA THR A 32 3.499 4.626 13.704 1.00 0.00 C ATOM 445 C THR A 32 3.344 4.424 12.201 1.00 0.00 C ATOM 446 O THR A 32 2.524 3.622 11.755 1.00 0.00 O ATOM 447 CB THR A 32 2.620 5.812 14.144 1.00 0.00 C ATOM 448 OG1 THR A 32 3.249 7.048 13.787 1.00 0.00 O ATOM 449 CG2 THR A 32 2.376 5.777 15.645 1.00 0.00 C ATOM 0 H THR A 32 5.041 5.533 14.796 1.00 0.00 H new ATOM 0 HA THR A 32 3.170 3.726 14.225 1.00 0.00 H new ATOM 0 HB THR A 32 1.660 5.733 13.633 1.00 0.00 H new ATOM 0 HG1 THR A 32 2.683 7.797 14.069 1.00 0.00 H new ATOM 0 HG21 THR A 32 1.753 6.624 15.932 1.00 0.00 H new ATOM 0 HG22 THR A 32 1.870 4.848 15.910 1.00 0.00 H new ATOM 0 HG23 THR A 32 3.330 5.833 16.170 1.00 0.00 H new ATOM 457 N GLU A 33 4.137 5.156 11.425 1.00 0.00 N ATOM 458 CA GLU A 33 4.086 5.056 9.971 1.00 0.00 C ATOM 459 C GLU A 33 5.021 3.960 9.468 1.00 0.00 C ATOM 460 O GLU A 33 6.025 3.642 10.108 1.00 0.00 O ATOM 461 CB GLU A 33 4.462 6.394 9.332 1.00 0.00 C ATOM 462 CG GLU A 33 3.375 7.450 9.447 1.00 0.00 C ATOM 463 CD GLU A 33 3.866 8.835 9.073 1.00 0.00 C ATOM 464 OE1 GLU A 33 5.072 9.105 9.252 1.00 0.00 O ATOM 465 OE2 GLU A 33 3.044 9.650 8.604 1.00 0.00 O ATOM 0 H GLU A 33 4.822 5.824 11.778 1.00 0.00 H new ATOM 0 HA GLU A 33 3.066 4.799 9.686 1.00 0.00 H new ATOM 0 HB2 GLU A 33 5.372 6.768 9.801 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.690 6.233 8.278 1.00 0.00 H new ATOM 0 HG2 GLU A 33 2.540 7.178 8.802 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.996 7.466 10.469 1.00 0.00 H new ATOM 472 N LEU A 34 4.684 3.384 8.319 1.00 0.00 N ATOM 473 CA LEU A 34 5.493 2.322 7.730 1.00 0.00 C ATOM 474 C LEU A 34 6.005 2.730 6.352 1.00 0.00 C ATOM 475 O LEU A 34 5.338 3.464 5.623 1.00 0.00 O ATOM 476 CB LEU A 34 4.677 1.033 7.623 1.00 0.00 C ATOM 477 CG LEU A 34 4.769 0.079 8.814 1.00 0.00 C ATOM 478 CD1 LEU A 34 3.958 -1.181 8.553 1.00 0.00 C ATOM 479 CD2 LEU A 34 6.221 -0.270 9.106 1.00 0.00 C ATOM 0 H LEU A 34 3.857 3.634 7.777 1.00 0.00 H new ATOM 0 HA LEU A 34 6.351 2.148 8.379 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.630 1.300 7.477 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.997 0.498 6.729 1.00 0.00 H new ATOM 0 HG LEU A 34 4.353 0.579 9.689 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.036 -1.848 9.412 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.913 -0.915 8.394 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.343 -1.685 7.666 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.268 -0.950 9.957 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.662 -0.750 8.233 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.774 0.640 9.338 1.00 0.00 H new ATOM 491 N SER A 35 7.193 2.246 6.001 1.00 0.00 N ATOM 492 CA SER A 35 7.795 2.561 4.711 1.00 0.00 C ATOM 493 C SER A 35 7.191 1.701 3.605 1.00 0.00 C ATOM 494 O SER A 35 6.857 0.536 3.821 1.00 0.00 O ATOM 495 CB SER A 35 9.309 2.350 4.767 1.00 0.00 C ATOM 496 OG SER A 35 9.640 0.982 4.604 1.00 0.00 O ATOM 0 H SER A 35 7.757 1.635 6.592 1.00 0.00 H new ATOM 0 HA SER A 35 7.589 3.608 4.487 1.00 0.00 H new ATOM 0 HB2 SER A 35 9.790 2.939 3.987 1.00 0.00 H new ATOM 0 HB3 SER A 35 9.694 2.709 5.721 1.00 0.00 H new ATOM 0 HG SER A 35 10.613 0.874 4.642 1.00 0.00 H new ATOM 502 N LEU A 36 7.054 2.285 2.420 1.00 0.00 N ATOM 503 CA LEU A 36 6.490 1.574 1.278 1.00 0.00 C ATOM 504 C LEU A 36 7.416 1.663 0.069 1.00 0.00 C ATOM 505 O LEU A 36 8.122 2.656 -0.113 1.00 0.00 O ATOM 506 CB LEU A 36 5.115 2.145 0.924 1.00 0.00 C ATOM 507 CG LEU A 36 4.191 2.447 2.104 1.00 0.00 C ATOM 508 CD1 LEU A 36 2.895 3.077 1.619 1.00 0.00 C ATOM 509 CD2 LEU A 36 3.906 1.179 2.897 1.00 0.00 C ATOM 0 H LEU A 36 7.326 3.249 2.225 1.00 0.00 H new ATOM 0 HA LEU A 36 6.381 0.525 1.553 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.260 3.065 0.357 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.610 1.440 0.264 1.00 0.00 H new ATOM 0 HG LEU A 36 4.693 3.157 2.761 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.250 3.285 2.473 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.116 4.007 1.096 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.389 2.391 0.940 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.247 1.413 3.733 1.00 0.00 H new ATOM 0 HD22 LEU A 36 3.425 0.446 2.250 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.842 0.769 3.277 1.00 0.00 H new ATOM 521 N LEU A 37 7.407 0.621 -0.755 1.00 0.00 N ATOM 522 CA LEU A 37 8.245 0.583 -1.949 1.00 0.00 C ATOM 523 C LEU A 37 7.395 0.660 -3.213 1.00 0.00 C ATOM 524 O LEU A 37 6.194 0.394 -3.183 1.00 0.00 O ATOM 525 CB LEU A 37 9.086 -0.694 -1.964 1.00 0.00 C ATOM 526 CG LEU A 37 10.337 -0.685 -1.083 1.00 0.00 C ATOM 527 CD1 LEU A 37 10.845 -2.101 -0.862 1.00 0.00 C ATOM 528 CD2 LEU A 37 11.421 0.182 -1.707 1.00 0.00 C ATOM 0 H LEU A 37 6.829 -0.208 -0.619 1.00 0.00 H new ATOM 0 HA LEU A 37 8.908 1.448 -1.926 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.453 -1.525 -1.653 1.00 0.00 H new ATOM 0 HB3 LEU A 37 9.391 -0.892 -2.992 1.00 0.00 H new ATOM 0 HG LEU A 37 10.073 -0.261 -0.114 1.00 0.00 H new ATOM 0 HD11 LEU A 37 11.735 -2.074 -0.233 1.00 0.00 H new ATOM 0 HD12 LEU A 37 10.072 -2.693 -0.372 1.00 0.00 H new ATOM 0 HD13 LEU A 37 11.093 -2.553 -1.823 1.00 0.00 H new ATOM 0 HD21 LEU A 37 12.304 0.177 -1.068 1.00 0.00 H new ATOM 0 HD22 LEU A 37 11.682 -0.213 -2.689 1.00 0.00 H new ATOM 0 HD23 LEU A 37 11.055 1.203 -1.812 1.00 0.00 H new ATOM 540 N ALA A 38 8.027 1.025 -4.324 1.00 0.00 N ATOM 541 CA ALA A 38 7.331 1.133 -5.599 1.00 0.00 C ATOM 542 C ALA A 38 7.156 -0.237 -6.247 1.00 0.00 C ATOM 543 O ALA A 38 8.109 -1.007 -6.359 1.00 0.00 O ATOM 544 CB ALA A 38 8.083 2.069 -6.534 1.00 0.00 C ATOM 0 H ALA A 38 9.021 1.251 -4.366 1.00 0.00 H new ATOM 0 HA ALA A 38 6.340 1.546 -5.410 1.00 0.00 H new ATOM 0 HB1 ALA A 38 7.551 2.140 -7.483 1.00 0.00 H new ATOM 0 HB2 ALA A 38 8.151 3.058 -6.081 1.00 0.00 H new ATOM 0 HB3 ALA A 38 9.086 1.680 -6.709 1.00 0.00 H new ATOM 550 N ASP A 39 5.933 -0.533 -6.672 1.00 0.00 N ATOM 551 CA ASP A 39 5.633 -1.810 -7.310 1.00 0.00 C ATOM 552 C ASP A 39 5.579 -2.933 -6.278 1.00 0.00 C ATOM 553 O ASP A 39 6.001 -4.056 -6.548 1.00 0.00 O ATOM 554 CB ASP A 39 6.682 -2.130 -8.376 1.00 0.00 C ATOM 555 CG ASP A 39 7.077 -0.910 -9.185 1.00 0.00 C ATOM 556 OD1 ASP A 39 6.197 -0.066 -9.451 1.00 0.00 O ATOM 557 OD2 ASP A 39 8.266 -0.801 -9.552 1.00 0.00 O ATOM 0 H ASP A 39 5.133 0.094 -6.586 1.00 0.00 H new ATOM 0 HA ASP A 39 4.655 -1.730 -7.786 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.568 -2.546 -7.896 1.00 0.00 H new ATOM 0 HB3 ASP A 39 6.292 -2.896 -9.046 1.00 0.00 H new ATOM 562 N GLU A 40 5.057 -2.619 -5.097 1.00 0.00 N ATOM 563 CA GLU A 40 4.950 -3.602 -4.025 1.00 0.00 C ATOM 564 C GLU A 40 3.540 -3.617 -3.439 1.00 0.00 C ATOM 565 O GLU A 40 2.960 -2.567 -3.162 1.00 0.00 O ATOM 566 CB GLU A 40 5.968 -3.301 -2.923 1.00 0.00 C ATOM 567 CG GLU A 40 5.429 -2.395 -1.827 1.00 0.00 C ATOM 568 CD GLU A 40 6.346 -2.330 -0.621 1.00 0.00 C ATOM 569 OE1 GLU A 40 7.342 -3.084 -0.593 1.00 0.00 O ATOM 570 OE2 GLU A 40 6.068 -1.527 0.294 1.00 0.00 O ATOM 0 H GLU A 40 4.702 -1.693 -4.858 1.00 0.00 H new ATOM 0 HA GLU A 40 5.161 -4.585 -4.446 1.00 0.00 H new ATOM 0 HB2 GLU A 40 6.297 -4.240 -2.478 1.00 0.00 H new ATOM 0 HB3 GLU A 40 6.846 -2.835 -3.369 1.00 0.00 H new ATOM 0 HG2 GLU A 40 5.289 -1.391 -2.227 1.00 0.00 H new ATOM 0 HG3 GLU A 40 4.448 -2.753 -1.514 1.00 0.00 H new ATOM 577 N VAL A 41 2.995 -4.815 -3.256 1.00 0.00 N ATOM 578 CA VAL A 41 1.654 -4.969 -2.704 1.00 0.00 C ATOM 579 C VAL A 41 1.704 -5.532 -1.288 1.00 0.00 C ATOM 580 O VAL A 41 2.251 -6.611 -1.057 1.00 0.00 O ATOM 581 CB VAL A 41 0.788 -5.892 -3.581 1.00 0.00 C ATOM 582 CG1 VAL A 41 -0.456 -6.334 -2.826 1.00 0.00 C ATOM 583 CG2 VAL A 41 0.414 -5.194 -4.880 1.00 0.00 C ATOM 0 H VAL A 41 3.461 -5.694 -3.482 1.00 0.00 H new ATOM 0 HA VAL A 41 1.205 -3.976 -2.682 1.00 0.00 H new ATOM 0 HB VAL A 41 1.369 -6.781 -3.827 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.055 -6.985 -3.462 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.163 -6.875 -1.926 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.043 -5.459 -2.548 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.198 -5.860 -5.488 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.148 -4.287 -4.657 1.00 0.00 H new ATOM 0 HG23 VAL A 41 1.320 -4.934 -5.427 1.00 0.00 H new ATOM 593 N ILE A 42 1.130 -4.795 -0.343 1.00 0.00 N ATOM 594 CA ILE A 42 1.108 -5.222 1.050 1.00 0.00 C ATOM 595 C ILE A 42 -0.321 -5.321 1.572 1.00 0.00 C ATOM 596 O ILE A 42 -1.276 -4.993 0.867 1.00 0.00 O ATOM 597 CB ILE A 42 1.905 -4.256 1.948 1.00 0.00 C ATOM 598 CG1 ILE A 42 1.232 -2.882 1.979 1.00 0.00 C ATOM 599 CG2 ILE A 42 3.340 -4.138 1.456 1.00 0.00 C ATOM 600 CD1 ILE A 42 1.596 -2.059 3.195 1.00 0.00 C ATOM 0 H ILE A 42 0.674 -3.899 -0.517 1.00 0.00 H new ATOM 0 HA ILE A 42 1.574 -6.207 1.086 1.00 0.00 H new ATOM 0 HB ILE A 42 1.921 -4.655 2.962 1.00 0.00 H new ATOM 0 HG12 ILE A 42 1.509 -2.330 1.081 1.00 0.00 H new ATOM 0 HG13 ILE A 42 0.151 -3.015 1.951 1.00 0.00 H new ATOM 0 HG21 ILE A 42 3.890 -3.452 2.100 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.815 -5.119 1.480 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.344 -3.758 0.434 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.083 -1.098 3.151 1.00 0.00 H new ATOM 0 HD12 ILE A 42 1.294 -2.590 4.098 1.00 0.00 H new ATOM 0 HD13 ILE A 42 2.673 -1.895 3.214 1.00 0.00 H new ATOM 612 N THR A 43 -0.462 -5.773 2.814 1.00 0.00 N ATOM 613 CA THR A 43 -1.775 -5.915 3.432 1.00 0.00 C ATOM 614 C THR A 43 -2.209 -4.617 4.104 1.00 0.00 C ATOM 615 O THR A 43 -1.507 -4.086 4.965 1.00 0.00 O ATOM 616 CB THR A 43 -1.785 -7.048 4.475 1.00 0.00 C ATOM 617 OG1 THR A 43 -1.643 -8.315 3.824 1.00 0.00 O ATOM 618 CG2 THR A 43 -3.075 -7.029 5.282 1.00 0.00 C ATOM 0 H THR A 43 0.317 -6.047 3.412 1.00 0.00 H new ATOM 0 HA THR A 43 -2.476 -6.160 2.634 1.00 0.00 H new ATOM 0 HB THR A 43 -0.947 -6.893 5.155 1.00 0.00 H new ATOM 0 HG1 THR A 43 -2.529 -8.669 3.599 1.00 0.00 H new ATOM 0 HG21 THR A 43 -3.059 -7.838 6.012 1.00 0.00 H new ATOM 0 HG22 THR A 43 -3.166 -6.074 5.800 1.00 0.00 H new ATOM 0 HG23 THR A 43 -3.925 -7.161 4.613 1.00 0.00 H new ATOM 626 N VAL A 44 -3.372 -4.110 3.706 1.00 0.00 N ATOM 627 CA VAL A 44 -3.901 -2.875 4.271 1.00 0.00 C ATOM 628 C VAL A 44 -5.284 -3.094 4.874 1.00 0.00 C ATOM 629 O VAL A 44 -6.067 -3.906 4.379 1.00 0.00 O ATOM 630 CB VAL A 44 -3.987 -1.763 3.208 1.00 0.00 C ATOM 631 CG1 VAL A 44 -2.614 -1.484 2.615 1.00 0.00 C ATOM 632 CG2 VAL A 44 -4.980 -2.142 2.120 1.00 0.00 C ATOM 0 H VAL A 44 -3.965 -4.536 2.994 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.211 -2.565 5.056 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.341 -0.851 3.689 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -2.694 -0.696 1.866 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.934 -1.166 3.405 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.228 -2.390 2.148 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.028 -1.345 1.378 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -4.659 -3.066 1.640 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -5.966 -2.286 2.562 1.00 0.00 H new ATOM 642 N PHE A 45 -5.578 -2.366 5.945 1.00 0.00 N ATOM 643 CA PHE A 45 -6.867 -2.481 6.617 1.00 0.00 C ATOM 644 C PHE A 45 -7.176 -1.222 7.423 1.00 0.00 C ATOM 645 O PHE A 45 -6.273 -0.577 7.956 1.00 0.00 O ATOM 646 CB PHE A 45 -6.880 -3.704 7.537 1.00 0.00 C ATOM 647 CG PHE A 45 -5.670 -3.801 8.421 1.00 0.00 C ATOM 648 CD1 PHE A 45 -4.406 -3.954 7.874 1.00 0.00 C ATOM 649 CD2 PHE A 45 -5.796 -3.741 9.799 1.00 0.00 C ATOM 650 CE1 PHE A 45 -3.290 -4.043 8.685 1.00 0.00 C ATOM 651 CE2 PHE A 45 -4.684 -3.829 10.615 1.00 0.00 C ATOM 652 CZ PHE A 45 -3.430 -3.982 10.057 1.00 0.00 C ATOM 0 H PHE A 45 -4.941 -1.690 6.367 1.00 0.00 H new ATOM 0 HA PHE A 45 -7.636 -2.600 5.854 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -7.774 -3.671 8.160 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -6.949 -4.606 6.929 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -4.291 -4.004 6.801 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -6.774 -3.624 10.241 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -2.310 -4.160 8.246 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -4.796 -3.778 11.688 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.560 -4.054 10.693 1.00 0.00 H new ATOM 662 N SER A 46 -8.457 -0.878 7.505 1.00 0.00 N ATOM 663 CA SER A 46 -8.885 0.305 8.241 1.00 0.00 C ATOM 664 C SER A 46 -8.916 0.031 9.742 1.00 0.00 C ATOM 665 O SER A 46 -8.980 -1.121 10.173 1.00 0.00 O ATOM 666 CB SER A 46 -10.267 0.756 7.766 1.00 0.00 C ATOM 667 OG SER A 46 -11.241 -0.245 8.007 1.00 0.00 O ATOM 0 H SER A 46 -9.217 -1.402 7.071 1.00 0.00 H new ATOM 0 HA SER A 46 -8.165 1.100 8.049 1.00 0.00 H new ATOM 0 HB2 SER A 46 -10.550 1.674 8.280 1.00 0.00 H new ATOM 0 HB3 SER A 46 -10.232 0.985 6.701 1.00 0.00 H new ATOM 0 HG SER A 46 -12.116 0.068 7.696 1.00 0.00 H new ATOM 673 N VAL A 47 -8.868 1.097 10.534 1.00 0.00 N ATOM 674 CA VAL A 47 -8.892 0.973 11.986 1.00 0.00 C ATOM 675 C VAL A 47 -9.605 2.158 12.628 1.00 0.00 C ATOM 676 O VAL A 47 -9.482 3.294 12.169 1.00 0.00 O ATOM 677 CB VAL A 47 -7.468 0.872 12.564 1.00 0.00 C ATOM 678 CG1 VAL A 47 -7.515 0.524 14.044 1.00 0.00 C ATOM 679 CG2 VAL A 47 -6.652 -0.155 11.792 1.00 0.00 C ATOM 0 H VAL A 47 -8.812 2.057 10.194 1.00 0.00 H new ATOM 0 HA VAL A 47 -9.436 0.057 12.216 1.00 0.00 H new ATOM 0 HB VAL A 47 -6.982 1.842 12.459 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -6.500 0.457 14.434 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -8.061 1.299 14.583 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -8.019 -0.434 14.177 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -5.648 -0.214 12.213 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -7.133 -1.130 11.864 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -6.589 0.143 10.745 1.00 0.00 H new ATOM 689 N VAL A 48 -10.353 1.886 13.693 1.00 0.00 N ATOM 690 CA VAL A 48 -11.085 2.929 14.400 1.00 0.00 C ATOM 691 C VAL A 48 -10.176 4.104 14.741 1.00 0.00 C ATOM 692 O VAL A 48 -9.034 3.918 15.160 1.00 0.00 O ATOM 693 CB VAL A 48 -11.719 2.391 15.696 1.00 0.00 C ATOM 694 CG1 VAL A 48 -12.098 3.537 16.621 1.00 0.00 C ATOM 695 CG2 VAL A 48 -12.930 1.528 15.378 1.00 0.00 C ATOM 0 H VAL A 48 -10.468 0.951 14.085 1.00 0.00 H new ATOM 0 HA VAL A 48 -11.876 3.268 13.732 1.00 0.00 H new ATOM 0 HB VAL A 48 -10.984 1.770 16.209 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -12.544 3.137 17.531 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -11.206 4.110 16.875 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -12.816 4.187 16.120 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -13.365 1.156 16.305 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -13.670 2.123 14.842 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -12.624 0.686 14.758 1.00 0.00 H new ATOM 705 N GLY A 49 -10.691 5.317 14.559 1.00 0.00 N ATOM 706 CA GLY A 49 -9.912 6.505 14.853 1.00 0.00 C ATOM 707 C GLY A 49 -8.814 6.745 13.836 1.00 0.00 C ATOM 708 O GLY A 49 -7.812 7.393 14.136 1.00 0.00 O ATOM 0 H GLY A 49 -11.634 5.497 14.213 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -10.573 7.371 14.881 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -9.470 6.410 15.845 1.00 0.00 H new ATOM 712 N MET A 50 -9.001 6.219 12.630 1.00 0.00 N ATOM 713 CA MET A 50 -8.017 6.379 11.566 1.00 0.00 C ATOM 714 C MET A 50 -8.547 7.298 10.470 1.00 0.00 C ATOM 715 O MET A 50 -9.757 7.425 10.284 1.00 0.00 O ATOM 716 CB MET A 50 -7.649 5.018 10.973 1.00 0.00 C ATOM 717 CG MET A 50 -6.651 5.102 9.829 1.00 0.00 C ATOM 718 SD MET A 50 -6.077 3.481 9.288 1.00 0.00 S ATOM 719 CE MET A 50 -4.436 3.446 10.005 1.00 0.00 C ATOM 0 H MET A 50 -9.825 5.679 12.365 1.00 0.00 H new ATOM 0 HA MET A 50 -7.124 6.833 11.996 1.00 0.00 H new ATOM 0 HB2 MET A 50 -7.234 4.388 11.760 1.00 0.00 H new ATOM 0 HB3 MET A 50 -8.556 4.529 10.618 1.00 0.00 H new ATOM 0 HG2 MET A 50 -7.112 5.620 8.987 1.00 0.00 H new ATOM 0 HG3 MET A 50 -5.795 5.700 10.142 1.00 0.00 H new ATOM 0 HE1 MET A 50 -4.048 2.428 9.976 1.00 0.00 H new ATOM 0 HE2 MET A 50 -3.777 4.102 9.437 1.00 0.00 H new ATOM 0 HE3 MET A 50 -4.483 3.787 11.039 1.00 0.00 H new ATOM 729 N ASP A 51 -7.633 7.937 9.747 1.00 0.00 N ATOM 730 CA ASP A 51 -8.009 8.843 8.668 1.00 0.00 C ATOM 731 C ASP A 51 -8.174 8.086 7.354 1.00 0.00 C ATOM 732 O ASP A 51 -7.457 7.121 7.088 1.00 0.00 O ATOM 733 CB ASP A 51 -6.958 9.943 8.509 1.00 0.00 C ATOM 734 CG ASP A 51 -6.241 10.251 9.809 1.00 0.00 C ATOM 735 OD1 ASP A 51 -5.433 9.409 10.255 1.00 0.00 O ATOM 736 OD2 ASP A 51 -6.486 11.335 10.379 1.00 0.00 O ATOM 0 H ASP A 51 -6.627 7.844 9.889 1.00 0.00 H new ATOM 0 HA ASP A 51 -8.965 9.298 8.926 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -6.229 9.639 7.758 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -7.438 10.849 8.139 1.00 0.00 H new ATOM 741 N SER A 52 -9.123 8.530 6.536 1.00 0.00 N ATOM 742 CA SER A 52 -9.385 7.891 5.252 1.00 0.00 C ATOM 743 C SER A 52 -8.155 7.954 4.352 1.00 0.00 C ATOM 744 O SER A 52 -7.989 7.133 3.450 1.00 0.00 O ATOM 745 CB SER A 52 -10.573 8.561 4.558 1.00 0.00 C ATOM 746 OG SER A 52 -10.313 9.933 4.314 1.00 0.00 O ATOM 0 H SER A 52 -9.723 9.329 6.740 1.00 0.00 H new ATOM 0 HA SER A 52 -9.624 6.844 5.438 1.00 0.00 H new ATOM 0 HB2 SER A 52 -10.781 8.054 3.616 1.00 0.00 H new ATOM 0 HB3 SER A 52 -11.464 8.461 5.178 1.00 0.00 H new ATOM 0 HG SER A 52 -11.086 10.338 3.868 1.00 0.00 H new ATOM 752 N ASP A 53 -7.295 8.935 4.605 1.00 0.00 N ATOM 753 CA ASP A 53 -6.078 9.106 3.820 1.00 0.00 C ATOM 754 C ASP A 53 -4.934 8.283 4.404 1.00 0.00 C ATOM 755 O ASP A 53 -3.771 8.482 4.053 1.00 0.00 O ATOM 756 CB ASP A 53 -5.684 10.583 3.765 1.00 0.00 C ATOM 757 CG ASP A 53 -6.840 11.476 3.358 1.00 0.00 C ATOM 758 OD1 ASP A 53 -7.053 11.652 2.139 1.00 0.00 O ATOM 759 OD2 ASP A 53 -7.532 11.997 4.257 1.00 0.00 O ATOM 0 H ASP A 53 -7.418 9.624 5.347 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.276 8.753 2.808 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -5.315 10.894 4.742 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -4.864 10.711 3.059 1.00 0.00 H new ATOM 764 N TRP A 54 -5.272 7.360 5.297 1.00 0.00 N ATOM 765 CA TRP A 54 -4.272 6.508 5.930 1.00 0.00 C ATOM 766 C TRP A 54 -4.877 5.167 6.334 1.00 0.00 C ATOM 767 O TRP A 54 -5.925 5.116 6.979 1.00 0.00 O ATOM 768 CB TRP A 54 -3.682 7.205 7.157 1.00 0.00 C ATOM 769 CG TRP A 54 -2.865 8.414 6.817 1.00 0.00 C ATOM 770 CD1 TRP A 54 -3.318 9.694 6.668 1.00 0.00 C ATOM 771 CD2 TRP A 54 -1.453 8.457 6.583 1.00 0.00 C ATOM 772 NE1 TRP A 54 -2.273 10.529 6.355 1.00 0.00 N ATOM 773 CE2 TRP A 54 -1.118 9.795 6.298 1.00 0.00 C ATOM 774 CE3 TRP A 54 -0.439 7.495 6.589 1.00 0.00 C ATOM 775 CZ2 TRP A 54 0.187 10.192 6.020 1.00 0.00 C ATOM 776 CZ3 TRP A 54 0.856 7.891 6.312 1.00 0.00 C ATOM 777 CH2 TRP A 54 1.160 9.230 6.032 1.00 0.00 C ATOM 0 H TRP A 54 -6.230 7.182 5.599 1.00 0.00 H new ATOM 0 HA TRP A 54 -3.477 6.324 5.207 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -4.493 7.499 7.824 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -3.060 6.497 7.704 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -4.346 10.004 6.780 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -2.346 11.533 6.191 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -0.663 6.461 6.806 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 0.423 11.223 5.802 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 1.647 7.156 6.311 1.00 0.00 H new ATOM 0 HH2 TRP A 54 2.182 9.508 5.822 1.00 0.00 H new ATOM 788 N LEU A 55 -4.211 4.084 5.950 1.00 0.00 N ATOM 789 CA LEU A 55 -4.683 2.741 6.273 1.00 0.00 C ATOM 790 C LEU A 55 -3.678 2.008 7.155 1.00 0.00 C ATOM 791 O LEU A 55 -2.586 2.510 7.419 1.00 0.00 O ATOM 792 CB LEU A 55 -4.930 1.945 4.991 1.00 0.00 C ATOM 793 CG LEU A 55 -6.318 2.091 4.366 1.00 0.00 C ATOM 794 CD1 LEU A 55 -6.298 1.651 2.910 1.00 0.00 C ATOM 795 CD2 LEU A 55 -7.344 1.288 5.153 1.00 0.00 C ATOM 0 H LEU A 55 -3.343 4.109 5.415 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.620 2.834 6.822 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -4.187 2.246 4.252 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.759 0.890 5.204 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.602 3.143 4.402 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.295 1.762 2.483 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.593 2.268 2.353 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.992 0.607 2.850 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.326 1.403 4.694 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -7.063 0.235 5.149 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.379 1.650 6.181 1.00 0.00 H new ATOM 807 N MET A 56 -4.054 0.816 7.607 1.00 0.00 N ATOM 808 CA MET A 56 -3.184 0.012 8.457 1.00 0.00 C ATOM 809 C MET A 56 -2.341 -0.945 7.621 1.00 0.00 C ATOM 810 O MET A 56 -2.822 -1.987 7.178 1.00 0.00 O ATOM 811 CB MET A 56 -4.014 -0.775 9.473 1.00 0.00 C ATOM 812 CG MET A 56 -3.305 -0.990 10.801 1.00 0.00 C ATOM 813 SD MET A 56 -1.574 -1.453 10.597 1.00 0.00 S ATOM 814 CE MET A 56 -0.793 -0.382 11.801 1.00 0.00 C ATOM 0 H MET A 56 -4.955 0.386 7.399 1.00 0.00 H new ATOM 0 HA MET A 56 -2.514 0.686 8.990 1.00 0.00 H new ATOM 0 HB2 MET A 56 -4.951 -0.247 9.652 1.00 0.00 H new ATOM 0 HB3 MET A 56 -4.271 -1.745 9.047 1.00 0.00 H new ATOM 0 HG2 MET A 56 -3.365 -0.077 11.393 1.00 0.00 H new ATOM 0 HG3 MET A 56 -3.822 -1.768 11.362 1.00 0.00 H new ATOM 0 HE1 MET A 56 0.260 -0.649 11.897 1.00 0.00 H new ATOM 0 HE2 MET A 56 -0.876 0.655 11.474 1.00 0.00 H new ATOM 0 HE3 MET A 56 -1.286 -0.499 12.766 1.00 0.00 H new ATOM 824 N GLY A 57 -1.079 -0.584 7.408 1.00 0.00 N ATOM 825 CA GLY A 57 -0.189 -1.422 6.625 1.00 0.00 C ATOM 826 C GLY A 57 0.551 -2.434 7.475 1.00 0.00 C ATOM 827 O GLY A 57 0.774 -2.210 8.665 1.00 0.00 O ATOM 0 H GLY A 57 -0.657 0.274 7.764 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.765 -1.945 5.862 1.00 0.00 H new ATOM 0 HA3 GLY A 57 0.533 -0.793 6.104 1.00 0.00 H new ATOM 831 N GLU A 58 0.932 -3.552 6.865 1.00 0.00 N ATOM 832 CA GLU A 58 1.650 -4.604 7.576 1.00 0.00 C ATOM 833 C GLU A 58 2.666 -5.282 6.662 1.00 0.00 C ATOM 834 O GLU A 58 2.299 -5.955 5.698 1.00 0.00 O ATOM 835 CB GLU A 58 0.668 -5.641 8.124 1.00 0.00 C ATOM 836 CG GLU A 58 1.315 -6.669 9.037 1.00 0.00 C ATOM 837 CD GLU A 58 0.318 -7.671 9.587 1.00 0.00 C ATOM 838 OE1 GLU A 58 -0.898 -7.394 9.520 1.00 0.00 O ATOM 839 OE2 GLU A 58 0.753 -8.730 10.083 1.00 0.00 O ATOM 0 H GLU A 58 0.756 -3.753 5.881 1.00 0.00 H new ATOM 0 HA GLU A 58 2.185 -4.146 8.408 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -0.122 -5.127 8.672 1.00 0.00 H new ATOM 0 HB3 GLU A 58 0.194 -6.157 7.289 1.00 0.00 H new ATOM 0 HG2 GLU A 58 2.092 -7.200 8.487 1.00 0.00 H new ATOM 0 HG3 GLU A 58 1.804 -6.157 9.865 1.00 0.00 H new ATOM 846 N ARG A 59 3.946 -5.100 6.972 1.00 0.00 N ATOM 847 CA ARG A 59 5.016 -5.693 6.178 1.00 0.00 C ATOM 848 C ARG A 59 5.882 -6.612 7.034 1.00 0.00 C ATOM 849 O ARG A 59 6.665 -6.150 7.863 1.00 0.00 O ATOM 850 CB ARG A 59 5.881 -4.598 5.551 1.00 0.00 C ATOM 851 CG ARG A 59 6.509 -5.002 4.228 1.00 0.00 C ATOM 852 CD ARG A 59 6.941 -3.786 3.422 1.00 0.00 C ATOM 853 NE ARG A 59 8.307 -3.378 3.735 1.00 0.00 N ATOM 854 CZ ARG A 59 8.847 -2.237 3.321 1.00 0.00 C ATOM 855 NH1 ARG A 59 8.139 -1.395 2.581 1.00 0.00 N ATOM 856 NH2 ARG A 59 10.097 -1.936 3.648 1.00 0.00 N ATOM 0 H ARG A 59 4.267 -4.547 7.767 1.00 0.00 H new ATOM 0 HA ARG A 59 4.561 -6.286 5.385 1.00 0.00 H new ATOM 0 HB2 ARG A 59 5.271 -3.708 5.397 1.00 0.00 H new ATOM 0 HB3 ARG A 59 6.671 -4.326 6.251 1.00 0.00 H new ATOM 0 HG2 ARG A 59 7.372 -5.642 4.414 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.796 -5.589 3.649 1.00 0.00 H new ATOM 0 HD2 ARG A 59 6.865 -4.011 2.358 1.00 0.00 H new ATOM 0 HD3 ARG A 59 6.261 -2.958 3.622 1.00 0.00 H new ATOM 0 HE ARG A 59 8.879 -4.003 4.303 1.00 0.00 H new ATOM 0 HH11 ARG A 59 7.177 -1.623 2.328 1.00 0.00 H new ATOM 0 HH12 ARG A 59 8.556 -0.520 2.264 1.00 0.00 H new ATOM 0 HH21 ARG A 59 10.645 -2.581 4.218 1.00 0.00 H new ATOM 0 HH22 ARG A 59 10.511 -1.060 3.330 1.00 0.00 H new ATOM 870 N GLY A 60 5.735 -7.917 6.827 1.00 0.00 N ATOM 871 CA GLY A 60 6.510 -8.881 7.587 1.00 0.00 C ATOM 872 C GLY A 60 6.221 -8.813 9.073 1.00 0.00 C ATOM 873 O GLY A 60 5.128 -9.163 9.517 1.00 0.00 O ATOM 0 H GLY A 60 5.093 -8.324 6.147 1.00 0.00 H new ATOM 0 HA2 GLY A 60 6.293 -9.885 7.223 1.00 0.00 H new ATOM 0 HA3 GLY A 60 7.572 -8.703 7.418 1.00 0.00 H new ATOM 877 N ASN A 61 7.205 -8.363 9.846 1.00 0.00 N ATOM 878 CA ASN A 61 7.052 -8.253 11.292 1.00 0.00 C ATOM 879 C ASN A 61 6.961 -6.792 11.720 1.00 0.00 C ATOM 880 O ASN A 61 7.578 -6.384 12.703 1.00 0.00 O ATOM 881 CB ASN A 61 8.224 -8.933 12.003 1.00 0.00 C ATOM 882 CG ASN A 61 8.163 -10.445 11.903 1.00 0.00 C ATOM 883 OD1 ASN A 61 7.163 -11.009 11.457 1.00 0.00 O ATOM 884 ND2 ASN A 61 9.235 -11.109 12.319 1.00 0.00 N ATOM 0 H ASN A 61 8.116 -8.069 9.495 1.00 0.00 H new ATOM 0 HA ASN A 61 6.125 -8.753 11.573 1.00 0.00 H new ATOM 0 HB2 ASN A 61 9.161 -8.581 11.571 1.00 0.00 H new ATOM 0 HB3 ASN A 61 8.227 -8.641 13.053 1.00 0.00 H new ATOM 0 HD21 ASN A 61 9.252 -12.128 12.276 1.00 0.00 H new ATOM 0 HD22 ASN A 61 10.041 -10.600 12.681 1.00 0.00 H new ATOM 891 N GLN A 62 6.188 -6.009 10.974 1.00 0.00 N ATOM 892 CA GLN A 62 6.017 -4.593 11.276 1.00 0.00 C ATOM 893 C GLN A 62 4.571 -4.160 11.055 1.00 0.00 C ATOM 894 O GLN A 62 3.800 -4.850 10.387 1.00 0.00 O ATOM 895 CB GLN A 62 6.953 -3.748 10.410 1.00 0.00 C ATOM 896 CG GLN A 62 8.415 -3.853 10.814 1.00 0.00 C ATOM 897 CD GLN A 62 9.260 -2.732 10.242 1.00 0.00 C ATOM 898 OE1 GLN A 62 9.520 -1.732 10.911 1.00 0.00 O ATOM 899 NE2 GLN A 62 9.694 -2.893 8.997 1.00 0.00 N ATOM 0 H GLN A 62 5.670 -6.331 10.156 1.00 0.00 H new ATOM 0 HA GLN A 62 6.267 -4.439 12.326 1.00 0.00 H new ATOM 0 HB2 GLN A 62 6.849 -4.056 9.370 1.00 0.00 H new ATOM 0 HB3 GLN A 62 6.643 -2.704 10.466 1.00 0.00 H new ATOM 0 HG2 GLN A 62 8.489 -3.840 11.901 1.00 0.00 H new ATOM 0 HG3 GLN A 62 8.813 -4.811 10.478 1.00 0.00 H new ATOM 0 HE21 GLN A 62 9.455 -3.738 8.479 1.00 0.00 H new ATOM 0 HE22 GLN A 62 10.267 -2.171 8.559 1.00 0.00 H new ATOM 908 N LYS A 63 4.209 -3.013 11.621 1.00 0.00 N ATOM 909 CA LYS A 63 2.856 -2.486 11.486 1.00 0.00 C ATOM 910 C LYS A 63 2.848 -0.967 11.623 1.00 0.00 C ATOM 911 O LYS A 63 3.582 -0.403 12.433 1.00 0.00 O ATOM 912 CB LYS A 63 1.937 -3.109 12.538 1.00 0.00 C ATOM 913 CG LYS A 63 1.629 -4.575 12.286 1.00 0.00 C ATOM 914 CD LYS A 63 0.419 -5.035 13.082 1.00 0.00 C ATOM 915 CE LYS A 63 -0.879 -4.724 12.354 1.00 0.00 C ATOM 916 NZ LYS A 63 -1.278 -5.826 11.435 1.00 0.00 N ATOM 0 H LYS A 63 4.834 -2.431 12.178 1.00 0.00 H new ATOM 0 HA LYS A 63 2.489 -2.745 10.493 1.00 0.00 H new ATOM 0 HB2 LYS A 63 2.401 -3.007 13.519 1.00 0.00 H new ATOM 0 HB3 LYS A 63 1.002 -2.550 12.568 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.447 -4.732 11.223 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.494 -5.181 12.555 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.488 -6.108 13.263 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.417 -4.547 14.057 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -1.672 -4.554 13.082 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -0.764 -3.801 11.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.293 -5.750 11.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -0.733 -5.756 10.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -1.087 -6.742 11.888 1.00 0.00 H new ATOM 930 N GLY A 64 2.012 -0.310 10.825 1.00 0.00 N ATOM 931 CA GLY A 64 1.923 1.138 10.874 1.00 0.00 C ATOM 932 C GLY A 64 0.891 1.688 9.910 1.00 0.00 C ATOM 933 O GLY A 64 0.123 0.934 9.313 1.00 0.00 O ATOM 0 H GLY A 64 1.395 -0.754 10.145 1.00 0.00 H new ATOM 0 HA2 GLY A 64 1.671 1.449 11.888 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.898 1.567 10.642 1.00 0.00 H new ATOM 937 N LYS A 65 0.870 3.008 9.759 1.00 0.00 N ATOM 938 CA LYS A 65 -0.076 3.661 8.861 1.00 0.00 C ATOM 939 C LYS A 65 0.492 3.757 7.449 1.00 0.00 C ATOM 940 O LYS A 65 1.708 3.768 7.257 1.00 0.00 O ATOM 941 CB LYS A 65 -0.420 5.059 9.379 1.00 0.00 C ATOM 942 CG LYS A 65 -0.944 5.067 10.805 1.00 0.00 C ATOM 943 CD LYS A 65 -1.889 6.233 11.045 1.00 0.00 C ATOM 944 CE LYS A 65 -1.188 7.568 10.851 1.00 0.00 C ATOM 945 NZ LYS A 65 -1.814 8.647 11.664 1.00 0.00 N ATOM 0 H LYS A 65 1.498 3.647 10.247 1.00 0.00 H new ATOM 0 HA LYS A 65 -0.983 3.058 8.829 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.469 5.687 9.324 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -1.167 5.507 8.724 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -1.462 4.130 11.009 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -0.107 5.126 11.501 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -2.736 6.163 10.362 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -2.290 6.175 12.057 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -0.138 7.470 11.125 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -1.218 7.844 9.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -1.307 9.541 11.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -2.810 8.759 11.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -1.763 8.396 12.672 1.00 0.00 H new ATOM 959 N VAL A 66 -0.396 3.827 6.462 1.00 0.00 N ATOM 960 CA VAL A 66 0.017 3.925 5.067 1.00 0.00 C ATOM 961 C VAL A 66 -0.871 4.896 4.298 1.00 0.00 C ATOM 962 O VAL A 66 -2.099 4.840 4.364 1.00 0.00 O ATOM 963 CB VAL A 66 -0.023 2.550 4.373 1.00 0.00 C ATOM 964 CG1 VAL A 66 1.096 1.659 4.889 1.00 0.00 C ATOM 965 CG2 VAL A 66 -1.378 1.890 4.576 1.00 0.00 C ATOM 0 H VAL A 66 -1.406 3.818 6.603 1.00 0.00 H new ATOM 0 HA VAL A 66 1.042 4.296 5.065 1.00 0.00 H new ATOM 0 HB VAL A 66 0.127 2.698 3.303 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.052 0.692 4.388 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.058 2.129 4.686 1.00 0.00 H new ATOM 0 HG13 VAL A 66 0.981 1.516 5.963 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.388 0.920 4.079 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -1.560 1.754 5.642 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -2.158 2.523 4.153 1.00 0.00 H new ATOM 975 N PRO A 67 -0.237 5.811 3.549 1.00 0.00 N ATOM 976 CA PRO A 67 -0.950 6.812 2.751 1.00 0.00 C ATOM 977 C PRO A 67 -1.675 6.196 1.559 1.00 0.00 C ATOM 978 O PRO A 67 -1.047 5.638 0.659 1.00 0.00 O ATOM 979 CB PRO A 67 0.166 7.745 2.273 1.00 0.00 C ATOM 980 CG PRO A 67 1.394 6.902 2.282 1.00 0.00 C ATOM 981 CD PRO A 67 1.225 5.936 3.422 1.00 0.00 C ATOM 0 HA PRO A 67 -1.727 7.314 3.328 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -0.041 8.132 1.275 1.00 0.00 H new ATOM 0 HB3 PRO A 67 0.272 8.606 2.933 1.00 0.00 H new ATOM 0 HG2 PRO A 67 1.511 6.373 1.336 1.00 0.00 H new ATOM 0 HG3 PRO A 67 2.286 7.513 2.418 1.00 0.00 H new ATOM 0 HD2 PRO A 67 1.693 4.975 3.208 1.00 0.00 H new ATOM 0 HD3 PRO A 67 1.677 6.313 4.339 1.00 0.00 H new ATOM 989 N ILE A 68 -3.000 6.300 1.560 1.00 0.00 N ATOM 990 CA ILE A 68 -3.809 5.754 0.478 1.00 0.00 C ATOM 991 C ILE A 68 -3.439 6.386 -0.859 1.00 0.00 C ATOM 992 O ILE A 68 -3.466 5.728 -1.899 1.00 0.00 O ATOM 993 CB ILE A 68 -5.312 5.968 0.737 1.00 0.00 C ATOM 994 CG1 ILE A 68 -5.830 4.943 1.748 1.00 0.00 C ATOM 995 CG2 ILE A 68 -6.092 5.874 -0.566 1.00 0.00 C ATOM 996 CD1 ILE A 68 -5.595 5.345 3.188 1.00 0.00 C ATOM 0 H ILE A 68 -3.535 6.757 2.298 1.00 0.00 H new ATOM 0 HA ILE A 68 -3.604 4.684 0.439 1.00 0.00 H new ATOM 0 HB ILE A 68 -5.455 6.965 1.154 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -6.898 4.796 1.590 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -5.345 3.984 1.563 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -7.153 6.027 -0.367 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -5.738 6.639 -1.258 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -5.945 4.889 -1.008 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -5.987 4.573 3.850 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -4.526 5.464 3.363 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -6.103 6.288 3.390 1.00 0.00 H new ATOM 1008 N THR A 69 -3.091 7.669 -0.824 1.00 0.00 N ATOM 1009 CA THR A 69 -2.715 8.392 -2.032 1.00 0.00 C ATOM 1010 C THR A 69 -1.551 7.709 -2.741 1.00 0.00 C ATOM 1011 O THR A 69 -1.309 7.943 -3.926 1.00 0.00 O ATOM 1012 CB THR A 69 -2.326 9.849 -1.718 1.00 0.00 C ATOM 1013 OG1 THR A 69 -1.578 9.903 -0.497 1.00 0.00 O ATOM 1014 CG2 THR A 69 -3.563 10.726 -1.600 1.00 0.00 C ATOM 0 H THR A 69 -3.062 8.228 0.028 1.00 0.00 H new ATOM 0 HA THR A 69 -3.587 8.390 -2.685 1.00 0.00 H new ATOM 0 HB THR A 69 -1.712 10.223 -2.537 1.00 0.00 H new ATOM 0 HG1 THR A 69 -1.333 10.832 -0.305 1.00 0.00 H new ATOM 0 HG21 THR A 69 -3.263 11.750 -1.378 1.00 0.00 H new ATOM 0 HG22 THR A 69 -4.115 10.705 -2.540 1.00 0.00 H new ATOM 0 HG23 THR A 69 -4.199 10.352 -0.798 1.00 0.00 H new ATOM 1022 N TYR A 70 -0.833 6.864 -2.010 1.00 0.00 N ATOM 1023 CA TYR A 70 0.307 6.147 -2.569 1.00 0.00 C ATOM 1024 C TYR A 70 -0.071 4.713 -2.924 1.00 0.00 C ATOM 1025 O TYR A 70 0.672 4.015 -3.615 1.00 0.00 O ATOM 1026 CB TYR A 70 1.473 6.149 -1.578 1.00 0.00 C ATOM 1027 CG TYR A 70 2.157 7.491 -1.450 1.00 0.00 C ATOM 1028 CD1 TYR A 70 1.484 8.589 -0.930 1.00 0.00 C ATOM 1029 CD2 TYR A 70 3.477 7.660 -1.848 1.00 0.00 C ATOM 1030 CE1 TYR A 70 2.105 9.818 -0.812 1.00 0.00 C ATOM 1031 CE2 TYR A 70 4.107 8.885 -1.732 1.00 0.00 C ATOM 1032 CZ TYR A 70 3.416 9.960 -1.214 1.00 0.00 C ATOM 1033 OH TYR A 70 4.039 11.182 -1.097 1.00 0.00 O ATOM 0 H TYR A 70 -1.020 6.659 -1.029 1.00 0.00 H new ATOM 0 HA TYR A 70 0.613 6.658 -3.482 1.00 0.00 H new ATOM 0 HB2 TYR A 70 1.107 5.843 -0.598 1.00 0.00 H new ATOM 0 HB3 TYR A 70 2.206 5.405 -1.891 1.00 0.00 H new ATOM 0 HD1 TYR A 70 0.457 8.481 -0.612 1.00 0.00 H new ATOM 0 HD2 TYR A 70 4.020 6.820 -2.255 1.00 0.00 H new ATOM 0 HE1 TYR A 70 1.566 10.662 -0.407 1.00 0.00 H new ATOM 0 HE2 TYR A 70 5.134 8.999 -2.045 1.00 0.00 H new ATOM 0 HH TYR A 70 4.960 11.112 -1.424 1.00 0.00 H new ATOM 1043 N LEU A 71 -1.232 4.279 -2.447 1.00 0.00 N ATOM 1044 CA LEU A 71 -1.712 2.927 -2.714 1.00 0.00 C ATOM 1045 C LEU A 71 -2.887 2.949 -3.686 1.00 0.00 C ATOM 1046 O LEU A 71 -3.656 3.909 -3.724 1.00 0.00 O ATOM 1047 CB LEU A 71 -2.128 2.246 -1.409 1.00 0.00 C ATOM 1048 CG LEU A 71 -1.215 2.486 -0.206 1.00 0.00 C ATOM 1049 CD1 LEU A 71 -1.980 2.285 1.093 1.00 0.00 C ATOM 1050 CD2 LEU A 71 -0.005 1.565 -0.263 1.00 0.00 C ATOM 0 H LEU A 71 -1.859 4.843 -1.873 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.898 2.362 -3.169 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.132 2.583 -1.151 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.188 1.172 -1.586 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.863 3.517 -0.241 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.314 2.460 1.938 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.814 2.986 1.137 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.361 1.265 1.137 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.634 1.750 0.601 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -0.337 0.527 -0.254 1.00 0.00 H new ATOM 0 HD23 LEU A 71 0.556 1.758 -1.177 1.00 0.00 H new ATOM 1062 N GLU A 72 -3.020 1.883 -4.469 1.00 0.00 N ATOM 1063 CA GLU A 72 -4.102 1.780 -5.441 1.00 0.00 C ATOM 1064 C GLU A 72 -4.881 0.481 -5.252 1.00 0.00 C ATOM 1065 O GLU A 72 -4.590 -0.529 -5.894 1.00 0.00 O ATOM 1066 CB GLU A 72 -3.548 1.852 -6.865 1.00 0.00 C ATOM 1067 CG GLU A 72 -4.540 1.411 -7.928 1.00 0.00 C ATOM 1068 CD GLU A 72 -4.234 1.999 -9.292 1.00 0.00 C ATOM 1069 OE1 GLU A 72 -3.039 2.174 -9.609 1.00 0.00 O ATOM 1070 OE2 GLU A 72 -5.191 2.285 -10.042 1.00 0.00 O ATOM 0 H GLU A 72 -2.392 1.079 -4.449 1.00 0.00 H new ATOM 0 HA GLU A 72 -4.781 2.618 -5.280 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -3.237 2.876 -7.073 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -2.657 1.228 -6.931 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -4.534 0.323 -7.996 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -5.545 1.706 -7.626 1.00 0.00 H new ATOM 1077 N LEU A 73 -5.871 0.515 -4.367 1.00 0.00 N ATOM 1078 CA LEU A 73 -6.692 -0.659 -4.092 1.00 0.00 C ATOM 1079 C LEU A 73 -7.124 -1.337 -5.389 1.00 0.00 C ATOM 1080 O LEU A 73 -7.880 -0.768 -6.178 1.00 0.00 O ATOM 1081 CB LEU A 73 -7.923 -0.265 -3.274 1.00 0.00 C ATOM 1082 CG LEU A 73 -7.655 0.547 -2.007 1.00 0.00 C ATOM 1083 CD1 LEU A 73 -8.902 0.611 -1.140 1.00 0.00 C ATOM 1084 CD2 LEU A 73 -6.492 -0.050 -1.228 1.00 0.00 C ATOM 0 H LEU A 73 -6.125 1.343 -3.828 1.00 0.00 H new ATOM 0 HA LEU A 73 -6.093 -1.365 -3.517 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -8.592 0.310 -3.915 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.454 -1.174 -2.993 1.00 0.00 H new ATOM 0 HG LEU A 73 -7.388 1.563 -2.299 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -8.692 1.193 -0.243 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -9.710 1.084 -1.699 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -9.200 -0.398 -0.856 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -6.315 0.540 -0.329 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -6.731 -1.076 -0.947 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -5.596 -0.043 -1.849 1.00 0.00 H new ATOM 1096 N LEU A 74 -6.643 -2.556 -5.602 1.00 0.00 N ATOM 1097 CA LEU A 74 -6.981 -3.314 -6.802 1.00 0.00 C ATOM 1098 C LEU A 74 -8.354 -3.965 -6.666 1.00 0.00 C ATOM 1099 O LEU A 74 -9.007 -3.847 -5.630 1.00 0.00 O ATOM 1100 CB LEU A 74 -5.921 -4.384 -7.069 1.00 0.00 C ATOM 1101 CG LEU A 74 -4.473 -3.978 -6.791 1.00 0.00 C ATOM 1102 CD1 LEU A 74 -3.624 -5.203 -6.486 1.00 0.00 C ATOM 1103 CD2 LEU A 74 -3.898 -3.209 -7.972 1.00 0.00 C ATOM 0 H LEU A 74 -6.017 -3.042 -4.959 1.00 0.00 H new ATOM 0 HA LEU A 74 -7.009 -2.621 -7.643 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -6.155 -5.258 -6.462 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -5.998 -4.691 -8.112 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.460 -3.326 -5.918 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.597 -4.894 -6.291 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -4.023 -5.713 -5.609 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.643 -5.881 -7.339 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.867 -2.928 -7.756 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.924 -3.837 -8.863 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -4.490 -2.310 -8.144 1.00 0.00 H new ATOM 1115 N ASN A 75 -8.783 -4.654 -7.718 1.00 0.00 N ATOM 1116 CA ASN A 75 -10.077 -5.326 -7.715 1.00 0.00 C ATOM 1117 C ASN A 75 -9.916 -6.816 -7.427 1.00 0.00 C ATOM 1118 O ASN A 75 -8.846 -7.387 -7.637 1.00 0.00 O ATOM 1119 CB ASN A 75 -10.781 -5.128 -9.060 1.00 0.00 C ATOM 1120 CG ASN A 75 -11.342 -3.728 -9.218 1.00 0.00 C ATOM 1121 OD1 ASN A 75 -10.849 -2.937 -10.022 1.00 0.00 O ATOM 1122 ND2 ASN A 75 -12.379 -3.416 -8.449 1.00 0.00 N ATOM 0 H ASN A 75 -8.254 -4.762 -8.583 1.00 0.00 H new ATOM 0 HA ASN A 75 -10.685 -4.885 -6.925 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -10.077 -5.328 -9.868 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -11.589 -5.853 -9.154 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -12.799 -2.489 -8.511 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -12.755 -4.104 -7.796 1.00 0.00 H new ATOM 1129 N SER A 76 -10.987 -7.439 -6.946 1.00 0.00 N ATOM 1130 CA SER A 76 -10.965 -8.861 -6.625 1.00 0.00 C ATOM 1131 C SER A 76 -11.571 -9.683 -7.759 1.00 0.00 C ATOM 1132 O SER A 76 -12.319 -10.631 -7.523 1.00 0.00 O ATOM 1133 CB SER A 76 -11.726 -9.125 -5.325 1.00 0.00 C ATOM 1134 OG SER A 76 -11.285 -10.323 -4.710 1.00 0.00 O ATOM 0 H SER A 76 -11.881 -6.981 -6.770 1.00 0.00 H new ATOM 0 HA SER A 76 -9.926 -9.163 -6.496 1.00 0.00 H new ATOM 0 HB2 SER A 76 -11.585 -8.288 -4.641 1.00 0.00 H new ATOM 0 HB3 SER A 76 -12.794 -9.191 -5.532 1.00 0.00 H new ATOM 0 HG SER A 76 -11.786 -10.468 -3.880 1.00 0.00 H new ATOM 1140 N GLY A 77 -11.242 -9.311 -8.993 1.00 0.00 N ATOM 1141 CA GLY A 77 -11.761 -10.023 -10.145 1.00 0.00 C ATOM 1142 C GLY A 77 -11.895 -9.133 -11.365 1.00 0.00 C ATOM 1143 O GLY A 77 -12.048 -7.916 -11.258 1.00 0.00 O ATOM 0 H GLY A 77 -10.625 -8.529 -9.214 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -11.101 -10.858 -10.379 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -12.735 -10.445 -9.899 1.00 0.00 H new ATOM 1147 N PRO A 78 -11.835 -9.744 -12.558 1.00 0.00 N ATOM 1148 CA PRO A 78 -11.946 -9.017 -13.826 1.00 0.00 C ATOM 1149 C PRO A 78 -13.353 -8.478 -14.063 1.00 0.00 C ATOM 1150 O PRO A 78 -14.333 -9.219 -13.987 1.00 0.00 O ATOM 1151 CB PRO A 78 -11.596 -10.076 -14.874 1.00 0.00 C ATOM 1152 CG PRO A 78 -11.931 -11.375 -14.226 1.00 0.00 C ATOM 1153 CD PRO A 78 -11.653 -11.191 -12.760 1.00 0.00 C ATOM 0 HA PRO A 78 -11.297 -8.141 -13.852 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -12.169 -9.931 -15.790 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -10.542 -10.030 -15.147 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -12.975 -11.637 -14.395 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -11.328 -12.184 -14.639 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -12.340 -11.772 -12.145 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -10.644 -11.509 -12.499 1.00 0.00 H new ATOM 1161 N SER A 79 -13.445 -7.184 -14.351 1.00 0.00 N ATOM 1162 CA SER A 79 -14.733 -6.545 -14.596 1.00 0.00 C ATOM 1163 C SER A 79 -15.429 -7.170 -15.801 1.00 0.00 C ATOM 1164 O SER A 79 -14.778 -7.600 -16.753 1.00 0.00 O ATOM 1165 CB SER A 79 -14.547 -5.043 -14.822 1.00 0.00 C ATOM 1166 OG SER A 79 -14.080 -4.404 -13.647 1.00 0.00 O ATOM 0 H SER A 79 -12.643 -6.557 -14.420 1.00 0.00 H new ATOM 0 HA SER A 79 -15.359 -6.698 -13.717 1.00 0.00 H new ATOM 0 HB2 SER A 79 -13.839 -4.879 -15.634 1.00 0.00 H new ATOM 0 HB3 SER A 79 -15.494 -4.599 -15.130 1.00 0.00 H new ATOM 0 HG SER A 79 -13.968 -3.446 -13.818 1.00 0.00 H new ATOM 1172 N SER A 80 -16.756 -7.217 -15.752 1.00 0.00 N ATOM 1173 CA SER A 80 -17.542 -7.792 -16.837 1.00 0.00 C ATOM 1174 C SER A 80 -16.890 -7.511 -18.188 1.00 0.00 C ATOM 1175 O SER A 80 -16.611 -8.428 -18.958 1.00 0.00 O ATOM 1176 CB SER A 80 -18.965 -7.232 -16.818 1.00 0.00 C ATOM 1177 OG SER A 80 -19.583 -7.451 -15.562 1.00 0.00 O ATOM 0 H SER A 80 -17.310 -6.863 -14.972 1.00 0.00 H new ATOM 0 HA SER A 80 -17.583 -8.871 -16.690 1.00 0.00 H new ATOM 0 HB2 SER A 80 -18.942 -6.164 -17.034 1.00 0.00 H new ATOM 0 HB3 SER A 80 -19.555 -7.703 -17.604 1.00 0.00 H new ATOM 0 HG SER A 80 -20.491 -7.082 -15.575 1.00 0.00 H new ATOM 1183 N GLY A 81 -16.651 -6.233 -18.468 1.00 0.00 N ATOM 1184 CA GLY A 81 -16.035 -5.852 -19.725 1.00 0.00 C ATOM 1185 C GLY A 81 -16.968 -5.048 -20.608 1.00 0.00 C ATOM 1186 O GLY A 81 -16.567 -4.040 -21.191 1.00 0.00 O ATOM 0 H GLY A 81 -16.873 -5.455 -17.847 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -15.137 -5.268 -19.524 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -15.719 -6.749 -20.258 1.00 0.00 H new TER 1190 GLY A 81