USER MOD reduce.3.24.130724 H: found=0, std=0, add=340, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 342 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 206 ASN : amide:sc= -8.57! C(o=-8.7!,f=-15!) USER MOD Set 1.2: A 211 THR OG1 : rot 180:sc= -0.102 USER MOD Single : A 178 SER OG : rot 180:sc= 0 USER MOD Single : A 180 ASN : amide:sc= -0.082 K(o=-0.082,f=-1.3!) USER MOD Single : A 181 SER OG : rot 180:sc= 0 USER MOD Single : A 182 SER OG : rot 180:sc= -0.035 USER MOD Single : A 185 SER OG : rot 180:sc= 0 USER MOD Single : A 194 GLN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 197 THR OG1 : rot 180:sc= -0.675 USER MOD Single : A 203 TYR OH : rot 180:sc= 0 USER MOD Single : A 204 TYR OH : rot 108:sc= 0.0071 USER MOD Single : A 207 HIS : no HD1:sc= -1.38 K(o=-1.4,f=-2.1!) USER MOD Single : A 208 LYS NZ :NH3+ 162:sc= -0.0903 (180deg=-0.579) USER MOD Single : A 209 ASN : amide:sc= -3.49! C(o=-3.5!,f=-6.3!) USER MOD Single : A 210 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 212 THR OG1 : rot 16:sc= 0.453! USER MOD Single : A 213 SER OG : rot 100:sc= -0.726 USER MOD Single : A 221 THR OG1 : rot 55:sc= -0.0109 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 177 32.451 21.458 -32.069 1.00 0.00 N ATOM 2 CA GLY A 177 31.305 22.412 -32.111 1.00 0.00 C ATOM 3 C GLY A 177 30.145 21.853 -31.296 1.00 0.00 C ATOM 4 O GLY A 177 29.044 21.667 -31.814 1.00 0.00 O ATOM 0 HA2 GLY A 177 31.610 23.380 -31.713 1.00 0.00 H new ATOM 0 HA3 GLY A 177 30.993 22.576 -33.142 1.00 0.00 H new ATOM 10 N SER A 178 30.396 21.588 -30.018 1.00 0.00 N ATOM 11 CA SER A 178 29.360 21.052 -29.142 1.00 0.00 C ATOM 12 C SER A 178 29.855 20.989 -27.699 1.00 0.00 C ATOM 13 O SER A 178 29.765 19.947 -27.049 1.00 0.00 O ATOM 14 CB SER A 178 28.962 19.652 -29.608 1.00 0.00 C ATOM 15 OG SER A 178 30.114 18.818 -29.623 1.00 0.00 O ATOM 0 H SER A 178 31.300 21.734 -29.569 1.00 0.00 H new ATOM 0 HA SER A 178 28.494 21.712 -29.186 1.00 0.00 H new ATOM 0 HB2 SER A 178 28.206 19.236 -28.942 1.00 0.00 H new ATOM 0 HB3 SER A 178 28.520 19.699 -30.603 1.00 0.00 H new ATOM 0 HG SER A 178 29.863 17.918 -29.920 1.00 0.00 H new ATOM 21 N PRO A 179 30.374 22.076 -27.192 1.00 0.00 N ATOM 22 CA PRO A 179 30.896 22.145 -25.794 1.00 0.00 C ATOM 23 C PRO A 179 29.780 21.983 -24.760 1.00 0.00 C ATOM 24 O PRO A 179 30.027 21.578 -23.625 1.00 0.00 O ATOM 25 CB PRO A 179 31.545 23.539 -25.714 1.00 0.00 C ATOM 26 CG PRO A 179 30.866 24.345 -26.776 1.00 0.00 C ATOM 27 CD PRO A 179 30.517 23.363 -27.895 1.00 0.00 C ATOM 0 HA PRO A 179 31.598 21.341 -25.572 1.00 0.00 H new ATOM 0 HB2 PRO A 179 31.403 23.984 -24.729 1.00 0.00 H new ATOM 0 HB3 PRO A 179 32.620 23.484 -25.887 1.00 0.00 H new ATOM 0 HG2 PRO A 179 29.969 24.827 -26.386 1.00 0.00 H new ATOM 0 HG3 PRO A 179 31.520 25.137 -27.142 1.00 0.00 H new ATOM 0 HD2 PRO A 179 29.596 23.646 -28.405 1.00 0.00 H new ATOM 0 HD3 PRO A 179 31.300 23.322 -28.652 1.00 0.00 H new ATOM 35 N ASN A 180 28.554 22.298 -25.164 1.00 0.00 N ATOM 36 CA ASN A 180 27.412 22.175 -24.260 1.00 0.00 C ATOM 37 C ASN A 180 26.102 22.177 -25.043 1.00 0.00 C ATOM 38 O ASN A 180 25.810 23.118 -25.781 1.00 0.00 O ATOM 39 CB ASN A 180 27.412 23.326 -23.246 1.00 0.00 C ATOM 40 CG ASN A 180 26.522 22.975 -22.056 1.00 0.00 C ATOM 41 OD1 ASN A 180 26.469 21.817 -21.641 1.00 0.00 O ATOM 42 ND2 ASN A 180 25.817 23.909 -21.480 1.00 0.00 N ATOM 0 H ASN A 180 28.325 22.636 -26.099 1.00 0.00 H new ATOM 0 HA ASN A 180 27.499 21.228 -23.727 1.00 0.00 H new ATOM 0 HB2 ASN A 180 28.429 23.521 -22.905 1.00 0.00 H new ATOM 0 HB3 ASN A 180 27.054 24.240 -23.721 1.00 0.00 H new ATOM 0 HD21 ASN A 180 25.221 23.681 -20.685 1.00 0.00 H new ATOM 0 HD22 ASN A 180 25.862 24.868 -21.825 1.00 0.00 H new ATOM 49 N SER A 181 25.316 21.119 -24.871 1.00 0.00 N ATOM 50 CA SER A 181 24.032 21.007 -25.561 1.00 0.00 C ATOM 51 C SER A 181 23.113 20.044 -24.815 1.00 0.00 C ATOM 52 O SER A 181 23.576 19.215 -24.031 1.00 0.00 O ATOM 53 CB SER A 181 24.251 20.506 -26.989 1.00 0.00 C ATOM 54 OG SER A 181 25.035 19.321 -26.957 1.00 0.00 O ATOM 0 H SER A 181 25.542 20.331 -24.264 1.00 0.00 H new ATOM 0 HA SER A 181 23.564 21.991 -25.591 1.00 0.00 H new ATOM 0 HB2 SER A 181 23.292 20.308 -27.468 1.00 0.00 H new ATOM 0 HB3 SER A 181 24.752 21.271 -27.582 1.00 0.00 H new ATOM 0 HG SER A 181 25.175 18.997 -27.871 1.00 0.00 H new ATOM 60 N SER A 182 21.811 20.153 -25.063 1.00 0.00 N ATOM 61 CA SER A 182 20.847 19.278 -24.400 1.00 0.00 C ATOM 62 C SER A 182 21.171 19.161 -22.910 1.00 0.00 C ATOM 63 O SER A 182 21.803 18.196 -22.482 1.00 0.00 O ATOM 64 CB SER A 182 20.886 17.889 -25.038 1.00 0.00 C ATOM 65 OG SER A 182 20.138 16.984 -24.238 1.00 0.00 O ATOM 0 H SER A 182 21.402 20.828 -25.709 1.00 0.00 H new ATOM 0 HA SER A 182 19.851 19.706 -24.515 1.00 0.00 H new ATOM 0 HB2 SER A 182 20.474 17.928 -26.046 1.00 0.00 H new ATOM 0 HB3 SER A 182 21.917 17.546 -25.128 1.00 0.00 H new ATOM 0 HG SER A 182 20.160 16.093 -24.645 1.00 0.00 H new ATOM 71 N PRO A 183 20.761 20.121 -22.119 1.00 0.00 N ATOM 72 CA PRO A 183 21.030 20.117 -20.649 1.00 0.00 C ATOM 73 C PRO A 183 20.598 18.808 -19.984 1.00 0.00 C ATOM 74 O PRO A 183 19.406 18.534 -19.848 1.00 0.00 O ATOM 75 CB PRO A 183 20.208 21.312 -20.127 1.00 0.00 C ATOM 76 CG PRO A 183 20.048 22.219 -21.306 1.00 0.00 C ATOM 77 CD PRO A 183 20.002 21.311 -22.536 1.00 0.00 C ATOM 0 HA PRO A 183 22.093 20.200 -20.424 1.00 0.00 H new ATOM 0 HB2 PRO A 183 19.240 20.988 -19.745 1.00 0.00 H new ATOM 0 HB3 PRO A 183 20.721 21.816 -19.308 1.00 0.00 H new ATOM 0 HG2 PRO A 183 19.135 22.809 -21.223 1.00 0.00 H new ATOM 0 HG3 PRO A 183 20.878 22.923 -21.372 1.00 0.00 H new ATOM 0 HD2 PRO A 183 18.978 21.057 -22.809 1.00 0.00 H new ATOM 0 HD3 PRO A 183 20.454 21.790 -23.405 1.00 0.00 H new ATOM 85 N ALA A 184 21.582 18.015 -19.562 1.00 0.00 N ATOM 86 CA ALA A 184 21.296 16.729 -18.896 1.00 0.00 C ATOM 87 C ALA A 184 22.595 16.088 -18.420 1.00 0.00 C ATOM 88 O ALA A 184 22.597 14.971 -17.903 1.00 0.00 O ATOM 89 CB ALA A 184 20.570 15.763 -19.852 1.00 0.00 C ATOM 0 H ALA A 184 22.574 18.229 -19.664 1.00 0.00 H new ATOM 0 HA ALA A 184 20.649 16.927 -18.041 1.00 0.00 H new ATOM 0 HB1 ALA A 184 20.371 14.823 -19.337 1.00 0.00 H new ATOM 0 HB2 ALA A 184 19.628 16.208 -20.173 1.00 0.00 H new ATOM 0 HB3 ALA A 184 21.197 15.574 -20.723 1.00 0.00 H new ATOM 95 N SER A 185 23.702 16.809 -18.600 1.00 0.00 N ATOM 96 CA SER A 185 25.021 16.319 -18.193 1.00 0.00 C ATOM 97 C SER A 185 25.764 17.388 -17.400 1.00 0.00 C ATOM 98 O SER A 185 25.536 18.583 -17.585 1.00 0.00 O ATOM 99 CB SER A 185 25.836 15.940 -19.430 1.00 0.00 C ATOM 100 OG SER A 185 25.275 14.775 -20.020 1.00 0.00 O ATOM 0 H SER A 185 23.712 17.736 -19.026 1.00 0.00 H new ATOM 0 HA SER A 185 24.887 15.441 -17.561 1.00 0.00 H new ATOM 0 HB2 SER A 185 25.835 16.761 -20.146 1.00 0.00 H new ATOM 0 HB3 SER A 185 26.875 15.758 -19.154 1.00 0.00 H new ATOM 0 HG SER A 185 25.793 14.529 -20.815 1.00 0.00 H new ATOM 106 N GLY A 186 26.650 16.949 -16.512 1.00 0.00 N ATOM 107 CA GLY A 186 27.419 17.883 -15.688 1.00 0.00 C ATOM 108 C GLY A 186 28.143 17.145 -14.566 1.00 0.00 C ATOM 109 O GLY A 186 28.039 15.924 -14.447 1.00 0.00 O ATOM 0 H GLY A 186 26.854 15.964 -16.343 1.00 0.00 H new ATOM 0 HA2 GLY A 186 28.143 18.411 -16.308 1.00 0.00 H new ATOM 0 HA3 GLY A 186 26.753 18.635 -15.265 1.00 0.00 H new ATOM 113 N PRO A 187 28.873 17.858 -13.745 1.00 0.00 N ATOM 114 CA PRO A 187 29.627 17.250 -12.609 1.00 0.00 C ATOM 115 C PRO A 187 28.690 16.731 -11.517 1.00 0.00 C ATOM 116 O PRO A 187 28.364 17.447 -10.570 1.00 0.00 O ATOM 117 CB PRO A 187 30.507 18.404 -12.103 1.00 0.00 C ATOM 118 CG PRO A 187 29.772 19.646 -12.493 1.00 0.00 C ATOM 119 CD PRO A 187 29.056 19.320 -13.806 1.00 0.00 C ATOM 0 HA PRO A 187 30.208 16.378 -12.910 1.00 0.00 H new ATOM 0 HB2 PRO A 187 30.647 18.350 -11.023 1.00 0.00 H new ATOM 0 HB3 PRO A 187 31.498 18.373 -12.555 1.00 0.00 H new ATOM 0 HG2 PRO A 187 29.059 19.935 -11.721 1.00 0.00 H new ATOM 0 HG3 PRO A 187 30.460 20.482 -12.621 1.00 0.00 H new ATOM 0 HD2 PRO A 187 28.102 19.841 -13.883 1.00 0.00 H new ATOM 0 HD3 PRO A 187 29.650 19.614 -14.671 1.00 0.00 H new ATOM 127 N LEU A 188 28.274 15.475 -11.661 1.00 0.00 N ATOM 128 CA LEU A 188 27.381 14.833 -10.686 1.00 0.00 C ATOM 129 C LEU A 188 27.956 13.467 -10.282 1.00 0.00 C ATOM 130 O LEU A 188 27.700 12.469 -10.955 1.00 0.00 O ATOM 131 CB LEU A 188 25.962 14.640 -11.284 1.00 0.00 C ATOM 132 CG LEU A 188 25.157 15.975 -11.264 1.00 0.00 C ATOM 133 CD1 LEU A 188 25.311 16.740 -12.589 1.00 0.00 C ATOM 134 CD2 LEU A 188 23.667 15.677 -11.044 1.00 0.00 C ATOM 0 H LEU A 188 28.539 14.877 -12.443 1.00 0.00 H new ATOM 0 HA LEU A 188 27.306 15.476 -9.809 1.00 0.00 H new ATOM 0 HB2 LEU A 188 26.042 14.276 -12.308 1.00 0.00 H new ATOM 0 HB3 LEU A 188 25.425 13.880 -10.716 1.00 0.00 H new ATOM 0 HG LEU A 188 25.550 16.588 -10.453 1.00 0.00 H new ATOM 0 HD11 LEU A 188 24.738 17.666 -12.543 1.00 0.00 H new ATOM 0 HD12 LEU A 188 26.363 16.972 -12.755 1.00 0.00 H new ATOM 0 HD13 LEU A 188 24.941 16.125 -13.409 1.00 0.00 H new ATOM 0 HD21 LEU A 188 23.107 16.612 -11.030 1.00 0.00 H new ATOM 0 HD22 LEU A 188 23.299 15.045 -11.853 1.00 0.00 H new ATOM 0 HD23 LEU A 188 23.536 15.162 -10.093 1.00 0.00 H new ATOM 146 N PRO A 189 28.718 13.391 -9.211 1.00 0.00 N ATOM 147 CA PRO A 189 29.312 12.096 -8.755 1.00 0.00 C ATOM 148 C PRO A 189 28.243 11.020 -8.527 1.00 0.00 C ATOM 149 O PRO A 189 27.124 11.319 -8.113 1.00 0.00 O ATOM 150 CB PRO A 189 30.036 12.458 -7.444 1.00 0.00 C ATOM 151 CG PRO A 189 30.269 13.934 -7.517 1.00 0.00 C ATOM 152 CD PRO A 189 29.109 14.506 -8.331 1.00 0.00 C ATOM 0 HA PRO A 189 29.982 11.668 -9.501 1.00 0.00 H new ATOM 0 HB2 PRO A 189 29.431 12.198 -6.576 1.00 0.00 H new ATOM 0 HB3 PRO A 189 30.977 11.915 -7.351 1.00 0.00 H new ATOM 0 HG2 PRO A 189 30.300 14.374 -6.520 1.00 0.00 H new ATOM 0 HG3 PRO A 189 31.225 14.155 -7.992 1.00 0.00 H new ATOM 0 HD2 PRO A 189 28.285 14.818 -7.689 1.00 0.00 H new ATOM 0 HD3 PRO A 189 29.415 15.381 -8.905 1.00 0.00 H new ATOM 160 N GLU A 190 28.603 9.772 -8.817 1.00 0.00 N ATOM 161 CA GLU A 190 27.667 8.652 -8.657 1.00 0.00 C ATOM 162 C GLU A 190 27.112 8.612 -7.229 1.00 0.00 C ATOM 163 O GLU A 190 27.877 8.544 -6.267 1.00 0.00 O ATOM 164 CB GLU A 190 28.368 7.314 -8.962 1.00 0.00 C ATOM 165 CG GLU A 190 27.351 6.170 -8.907 1.00 0.00 C ATOM 166 CD GLU A 190 28.030 4.854 -9.271 1.00 0.00 C ATOM 167 OE1 GLU A 190 29.128 4.904 -9.800 1.00 0.00 O ATOM 168 OE2 GLU A 190 27.443 3.816 -9.016 1.00 0.00 O ATOM 0 H GLU A 190 29.526 9.508 -9.161 1.00 0.00 H new ATOM 0 HA GLU A 190 26.846 8.800 -9.359 1.00 0.00 H new ATOM 0 HB2 GLU A 190 28.832 7.353 -9.947 1.00 0.00 H new ATOM 0 HB3 GLU A 190 29.166 7.138 -8.240 1.00 0.00 H new ATOM 0 HG2 GLU A 190 26.920 6.103 -7.908 1.00 0.00 H new ATOM 0 HG3 GLU A 190 26.530 6.368 -9.596 1.00 0.00 H new ATOM 175 N GLY A 191 25.781 8.657 -7.090 1.00 0.00 N ATOM 176 CA GLY A 191 25.157 8.625 -5.758 1.00 0.00 C ATOM 177 C GLY A 191 24.936 10.040 -5.236 1.00 0.00 C ATOM 178 O GLY A 191 25.075 10.303 -4.042 1.00 0.00 O ATOM 0 H GLY A 191 25.124 8.715 -7.868 1.00 0.00 H new ATOM 0 HA2 GLY A 191 24.205 8.097 -5.809 1.00 0.00 H new ATOM 0 HA3 GLY A 191 25.792 8.071 -5.066 1.00 0.00 H new ATOM 182 N TRP A 192 24.590 10.946 -6.144 1.00 0.00 N ATOM 183 CA TRP A 192 24.352 12.333 -5.789 1.00 0.00 C ATOM 184 C TRP A 192 23.507 12.994 -6.869 1.00 0.00 C ATOM 185 O TRP A 192 24.034 13.631 -7.783 1.00 0.00 O ATOM 186 CB TRP A 192 25.685 13.068 -5.644 1.00 0.00 C ATOM 187 CG TRP A 192 26.404 12.564 -4.434 1.00 0.00 C ATOM 188 CD1 TRP A 192 27.357 11.603 -4.434 1.00 0.00 C ATOM 189 CD2 TRP A 192 26.246 12.982 -3.051 1.00 0.00 C ATOM 190 NE1 TRP A 192 27.792 11.407 -3.136 1.00 0.00 N ATOM 191 CE2 TRP A 192 27.137 12.236 -2.246 1.00 0.00 C ATOM 192 CE3 TRP A 192 25.423 13.931 -2.426 1.00 0.00 C ATOM 193 CZ2 TRP A 192 27.210 12.425 -0.868 1.00 0.00 C ATOM 194 CZ3 TRP A 192 25.491 14.127 -1.036 1.00 0.00 C ATOM 195 CH2 TRP A 192 26.383 13.375 -0.259 1.00 0.00 C ATOM 0 H TRP A 192 24.469 10.739 -7.135 1.00 0.00 H new ATOM 0 HA TRP A 192 23.820 12.378 -4.839 1.00 0.00 H new ATOM 0 HB2 TRP A 192 26.296 12.914 -6.533 1.00 0.00 H new ATOM 0 HB3 TRP A 192 25.513 14.141 -5.557 1.00 0.00 H new ATOM 0 HD1 TRP A 192 27.718 11.076 -5.305 1.00 0.00 H new ATOM 0 HE1 TRP A 192 28.509 10.733 -2.868 1.00 0.00 H new ATOM 0 HE3 TRP A 192 24.733 14.515 -3.017 1.00 0.00 H new ATOM 0 HZ2 TRP A 192 27.899 11.843 -0.274 1.00 0.00 H new ATOM 0 HZ3 TRP A 192 24.853 14.860 -0.564 1.00 0.00 H new ATOM 0 HH2 TRP A 192 26.432 13.529 0.809 1.00 0.00 H new ATOM 206 N GLU A 193 22.190 12.832 -6.758 1.00 0.00 N ATOM 207 CA GLU A 193 21.253 13.412 -7.737 1.00 0.00 C ATOM 208 C GLU A 193 20.397 14.485 -7.068 1.00 0.00 C ATOM 209 O GLU A 193 19.786 14.245 -6.029 1.00 0.00 O ATOM 210 CB GLU A 193 20.354 12.314 -8.350 1.00 0.00 C ATOM 211 CG GLU A 193 19.416 12.918 -9.406 1.00 0.00 C ATOM 212 CD GLU A 193 20.215 13.402 -10.612 1.00 0.00 C ATOM 213 OE1 GLU A 193 21.390 13.084 -10.690 1.00 0.00 O ATOM 214 OE2 GLU A 193 19.634 14.074 -11.449 1.00 0.00 O ATOM 0 H GLU A 193 21.742 12.308 -6.006 1.00 0.00 H new ATOM 0 HA GLU A 193 21.830 13.869 -8.541 1.00 0.00 H new ATOM 0 HB2 GLU A 193 20.973 11.540 -8.804 1.00 0.00 H new ATOM 0 HB3 GLU A 193 19.768 11.835 -7.566 1.00 0.00 H new ATOM 0 HG2 GLU A 193 18.685 12.173 -9.721 1.00 0.00 H new ATOM 0 HG3 GLU A 193 18.858 13.749 -8.974 1.00 0.00 H new ATOM 221 N GLN A 194 20.371 15.673 -7.667 1.00 0.00 N ATOM 222 CA GLN A 194 19.598 16.792 -7.114 1.00 0.00 C ATOM 223 C GLN A 194 18.107 16.641 -7.397 1.00 0.00 C ATOM 224 O GLN A 194 17.708 16.145 -8.452 1.00 0.00 O ATOM 225 CB GLN A 194 20.113 18.135 -7.678 1.00 0.00 C ATOM 226 CG GLN A 194 19.477 18.468 -9.043 1.00 0.00 C ATOM 227 CD GLN A 194 20.157 19.698 -9.637 1.00 0.00 C ATOM 228 OE1 GLN A 194 20.700 20.522 -8.902 1.00 0.00 O ATOM 229 NE2 GLN A 194 20.155 19.872 -10.930 1.00 0.00 N ATOM 0 H GLN A 194 20.871 15.889 -8.529 1.00 0.00 H new ATOM 0 HA GLN A 194 19.735 16.783 -6.033 1.00 0.00 H new ATOM 0 HB2 GLN A 194 19.893 18.934 -6.970 1.00 0.00 H new ATOM 0 HB3 GLN A 194 21.197 18.093 -7.783 1.00 0.00 H new ATOM 0 HG2 GLN A 194 19.580 17.620 -9.720 1.00 0.00 H new ATOM 0 HG3 GLN A 194 18.409 18.652 -8.923 1.00 0.00 H new ATOM 0 HE21 GLN A 194 19.704 19.187 -11.536 1.00 0.00 H new ATOM 0 HE22 GLN A 194 20.605 20.693 -11.335 1.00 0.00 H new ATOM 238 N ALA A 195 17.290 17.096 -6.452 1.00 0.00 N ATOM 239 CA ALA A 195 15.839 17.034 -6.620 1.00 0.00 C ATOM 240 C ALA A 195 15.140 17.890 -5.568 1.00 0.00 C ATOM 241 O ALA A 195 15.698 18.165 -4.505 1.00 0.00 O ATOM 242 CB ALA A 195 15.344 15.583 -6.532 1.00 0.00 C ATOM 0 H ALA A 195 17.601 17.507 -5.572 1.00 0.00 H new ATOM 0 HA ALA A 195 15.596 17.425 -7.608 1.00 0.00 H new ATOM 0 HB1 ALA A 195 14.262 15.559 -6.660 1.00 0.00 H new ATOM 0 HB2 ALA A 195 15.815 14.990 -7.316 1.00 0.00 H new ATOM 0 HB3 ALA A 195 15.604 15.168 -5.558 1.00 0.00 H new ATOM 248 N ILE A 196 13.915 18.307 -5.873 1.00 0.00 N ATOM 249 CA ILE A 196 13.136 19.135 -4.954 1.00 0.00 C ATOM 250 C ILE A 196 12.259 18.243 -4.050 1.00 0.00 C ATOM 251 O ILE A 196 11.557 17.362 -4.543 1.00 0.00 O ATOM 252 CB ILE A 196 12.267 20.142 -5.775 1.00 0.00 C ATOM 253 CG1 ILE A 196 10.823 19.647 -5.985 1.00 0.00 C ATOM 254 CG2 ILE A 196 12.889 20.387 -7.158 1.00 0.00 C ATOM 255 CD1 ILE A 196 10.776 18.358 -6.827 1.00 0.00 C ATOM 0 H ILE A 196 13.439 18.086 -6.748 1.00 0.00 H new ATOM 0 HA ILE A 196 13.807 19.703 -4.309 1.00 0.00 H new ATOM 0 HB ILE A 196 12.240 21.062 -5.191 1.00 0.00 H new ATOM 0 HG12 ILE A 196 10.357 19.466 -5.017 1.00 0.00 H new ATOM 0 HG13 ILE A 196 10.240 20.425 -6.479 1.00 0.00 H new ATOM 0 HG21 ILE A 196 12.271 21.090 -7.716 1.00 0.00 H new ATOM 0 HG22 ILE A 196 13.891 20.800 -7.038 1.00 0.00 H new ATOM 0 HG23 ILE A 196 12.948 19.445 -7.703 1.00 0.00 H new ATOM 0 HD11 ILE A 196 9.740 18.042 -6.952 1.00 0.00 H new ATOM 0 HD12 ILE A 196 11.218 18.546 -7.805 1.00 0.00 H new ATOM 0 HD13 ILE A 196 11.336 17.572 -6.321 1.00 0.00 H new ATOM 267 N THR A 197 12.277 18.479 -2.735 1.00 0.00 N ATOM 268 CA THR A 197 11.447 17.686 -1.827 1.00 0.00 C ATOM 269 C THR A 197 9.973 17.974 -2.115 1.00 0.00 C ATOM 270 O THR A 197 9.659 18.990 -2.730 1.00 0.00 O ATOM 271 CB THR A 197 11.775 18.041 -0.356 1.00 0.00 C ATOM 272 OG1 THR A 197 10.576 18.111 0.402 1.00 0.00 O ATOM 273 CG2 THR A 197 12.478 19.399 -0.281 1.00 0.00 C ATOM 0 H THR A 197 12.844 19.197 -2.284 1.00 0.00 H new ATOM 0 HA THR A 197 11.651 16.627 -1.983 1.00 0.00 H new ATOM 0 HB THR A 197 12.429 17.267 0.046 1.00 0.00 H new ATOM 0 HG1 THR A 197 10.790 18.334 1.332 1.00 0.00 H new ATOM 0 HG21 THR A 197 12.702 19.636 0.759 1.00 0.00 H new ATOM 0 HG22 THR A 197 13.405 19.361 -0.853 1.00 0.00 H new ATOM 0 HG23 THR A 197 11.827 20.169 -0.696 1.00 0.00 H new ATOM 281 N PRO A 198 9.059 17.135 -1.681 1.00 0.00 N ATOM 282 CA PRO A 198 7.606 17.385 -1.912 1.00 0.00 C ATOM 283 C PRO A 198 7.225 18.808 -1.497 1.00 0.00 C ATOM 284 O PRO A 198 6.327 19.420 -2.075 1.00 0.00 O ATOM 285 CB PRO A 198 6.908 16.341 -1.028 1.00 0.00 C ATOM 286 CG PRO A 198 7.892 15.224 -0.895 1.00 0.00 C ATOM 287 CD PRO A 198 9.285 15.865 -0.953 1.00 0.00 C ATOM 0 HA PRO A 198 7.323 17.299 -2.961 1.00 0.00 H new ATOM 0 HB2 PRO A 198 6.650 16.758 -0.054 1.00 0.00 H new ATOM 0 HB3 PRO A 198 5.979 15.996 -1.483 1.00 0.00 H new ATOM 0 HG2 PRO A 198 7.749 14.690 0.044 1.00 0.00 H new ATOM 0 HG3 PRO A 198 7.765 14.497 -1.697 1.00 0.00 H new ATOM 0 HD2 PRO A 198 9.686 16.042 0.045 1.00 0.00 H new ATOM 0 HD3 PRO A 198 9.998 15.226 -1.474 1.00 0.00 H new ATOM 295 N GLU A 199 7.932 19.323 -0.497 1.00 0.00 N ATOM 296 CA GLU A 199 7.681 20.683 -0.006 1.00 0.00 C ATOM 297 C GLU A 199 8.007 21.712 -1.091 1.00 0.00 C ATOM 298 O GLU A 199 7.563 22.858 -1.023 1.00 0.00 O ATOM 299 CB GLU A 199 8.536 20.940 1.244 1.00 0.00 C ATOM 300 CG GLU A 199 8.250 22.335 1.803 1.00 0.00 C ATOM 301 CD GLU A 199 9.040 22.546 3.090 1.00 0.00 C ATOM 302 OE1 GLU A 199 10.220 22.235 3.094 1.00 0.00 O ATOM 303 OE2 GLU A 199 8.455 23.013 4.053 1.00 0.00 O ATOM 0 H GLU A 199 8.679 18.828 -0.010 1.00 0.00 H new ATOM 0 HA GLU A 199 6.626 20.781 0.252 1.00 0.00 H new ATOM 0 HB2 GLU A 199 8.322 20.186 2.001 1.00 0.00 H new ATOM 0 HB3 GLU A 199 9.593 20.850 0.995 1.00 0.00 H new ATOM 0 HG2 GLU A 199 8.522 23.094 1.069 1.00 0.00 H new ATOM 0 HG3 GLU A 199 7.183 22.448 1.997 1.00 0.00 H new ATOM 310 N GLY A 200 8.778 21.296 -2.097 1.00 0.00 N ATOM 311 CA GLY A 200 9.153 22.196 -3.194 1.00 0.00 C ATOM 312 C GLY A 200 10.518 22.841 -2.931 1.00 0.00 C ATOM 313 O GLY A 200 10.943 23.720 -3.680 1.00 0.00 O ATOM 0 H GLY A 200 9.153 20.351 -2.177 1.00 0.00 H new ATOM 0 HA2 GLY A 200 9.184 21.640 -4.131 1.00 0.00 H new ATOM 0 HA3 GLY A 200 8.396 22.972 -3.308 1.00 0.00 H new ATOM 317 N GLU A 201 11.205 22.407 -1.861 1.00 0.00 N ATOM 318 CA GLU A 201 12.518 22.968 -1.528 1.00 0.00 C ATOM 319 C GLU A 201 13.633 22.186 -2.235 1.00 0.00 C ATOM 320 O GLU A 201 13.585 20.959 -2.325 1.00 0.00 O ATOM 321 CB GLU A 201 12.710 22.922 0.008 1.00 0.00 C ATOM 322 CG GLU A 201 13.339 24.226 0.522 1.00 0.00 C ATOM 323 CD GLU A 201 14.742 24.388 -0.047 1.00 0.00 C ATOM 324 OE1 GLU A 201 15.443 23.396 -0.124 1.00 0.00 O ATOM 325 OE2 GLU A 201 15.095 25.503 -0.395 1.00 0.00 O ATOM 0 H GLU A 201 10.877 21.682 -1.223 1.00 0.00 H new ATOM 0 HA GLU A 201 12.568 24.002 -1.869 1.00 0.00 H new ATOM 0 HB2 GLU A 201 11.748 22.762 0.494 1.00 0.00 H new ATOM 0 HB3 GLU A 201 13.346 22.078 0.274 1.00 0.00 H new ATOM 0 HG2 GLU A 201 12.721 25.076 0.234 1.00 0.00 H new ATOM 0 HG3 GLU A 201 13.379 24.216 1.611 1.00 0.00 H new ATOM 332 N ILE A 202 14.634 22.910 -2.727 1.00 0.00 N ATOM 333 CA ILE A 202 15.767 22.287 -3.419 1.00 0.00 C ATOM 334 C ILE A 202 16.713 21.655 -2.405 1.00 0.00 C ATOM 335 O ILE A 202 17.045 22.244 -1.378 1.00 0.00 O ATOM 336 CB ILE A 202 16.467 23.336 -4.354 1.00 0.00 C ATOM 337 CG1 ILE A 202 16.278 22.978 -5.873 1.00 0.00 C ATOM 338 CG2 ILE A 202 17.970 23.443 -4.039 1.00 0.00 C ATOM 339 CD1 ILE A 202 15.109 23.767 -6.488 1.00 0.00 C ATOM 0 H ILE A 202 14.687 23.927 -2.662 1.00 0.00 H new ATOM 0 HA ILE A 202 15.417 21.480 -4.063 1.00 0.00 H new ATOM 0 HB ILE A 202 15.990 24.297 -4.161 1.00 0.00 H new ATOM 0 HG12 ILE A 202 17.196 23.198 -6.418 1.00 0.00 H new ATOM 0 HG13 ILE A 202 16.094 21.909 -5.977 1.00 0.00 H new ATOM 0 HG21 ILE A 202 18.429 24.177 -4.702 1.00 0.00 H new ATOM 0 HG22 ILE A 202 18.103 23.756 -3.003 1.00 0.00 H new ATOM 0 HG23 ILE A 202 18.443 22.473 -4.189 1.00 0.00 H new ATOM 0 HD11 ILE A 202 15.002 23.499 -7.539 1.00 0.00 H new ATOM 0 HD12 ILE A 202 14.188 23.526 -5.957 1.00 0.00 H new ATOM 0 HD13 ILE A 202 15.307 24.836 -6.405 1.00 0.00 H new ATOM 351 N TYR A 203 17.133 20.435 -2.717 1.00 0.00 N ATOM 352 CA TYR A 203 18.030 19.697 -1.840 1.00 0.00 C ATOM 353 C TYR A 203 18.708 18.563 -2.620 1.00 0.00 C ATOM 354 O TYR A 203 18.307 18.253 -3.742 1.00 0.00 O ATOM 355 CB TYR A 203 17.263 19.198 -0.590 1.00 0.00 C ATOM 356 CG TYR A 203 16.487 17.910 -0.846 1.00 0.00 C ATOM 357 CD1 TYR A 203 15.395 17.891 -1.726 1.00 0.00 C ATOM 358 CD2 TYR A 203 16.842 16.740 -0.160 1.00 0.00 C ATOM 359 CE1 TYR A 203 14.676 16.710 -1.932 1.00 0.00 C ATOM 360 CE2 TYR A 203 16.118 15.559 -0.359 1.00 0.00 C ATOM 361 CZ TYR A 203 15.038 15.542 -1.251 1.00 0.00 C ATOM 362 OH TYR A 203 14.323 14.377 -1.447 1.00 0.00 O ATOM 0 H TYR A 203 16.868 19.938 -3.567 1.00 0.00 H new ATOM 0 HA TYR A 203 18.823 20.353 -1.480 1.00 0.00 H new ATOM 0 HB2 TYR A 203 17.970 19.035 0.223 1.00 0.00 H new ATOM 0 HB3 TYR A 203 16.572 19.974 -0.260 1.00 0.00 H new ATOM 0 HD1 TYR A 203 15.108 18.793 -2.247 1.00 0.00 H new ATOM 0 HD2 TYR A 203 17.677 16.750 0.525 1.00 0.00 H new ATOM 0 HE1 TYR A 203 13.841 16.699 -2.617 1.00 0.00 H new ATOM 0 HE2 TYR A 203 16.392 14.661 0.175 1.00 0.00 H new ATOM 0 HH TYR A 203 14.707 13.661 -0.899 1.00 0.00 H new ATOM 372 N TYR A 204 19.769 17.986 -2.050 1.00 0.00 N ATOM 373 CA TYR A 204 20.539 16.931 -2.725 1.00 0.00 C ATOM 374 C TYR A 204 20.308 15.561 -2.058 1.00 0.00 C ATOM 375 O TYR A 204 20.099 15.486 -0.846 1.00 0.00 O ATOM 376 CB TYR A 204 22.032 17.330 -2.657 1.00 0.00 C ATOM 377 CG TYR A 204 22.425 18.190 -3.851 1.00 0.00 C ATOM 378 CD1 TYR A 204 21.774 19.414 -4.096 1.00 0.00 C ATOM 379 CD2 TYR A 204 23.468 17.777 -4.694 1.00 0.00 C ATOM 380 CE1 TYR A 204 22.169 20.212 -5.179 1.00 0.00 C ATOM 381 CE2 TYR A 204 23.855 18.574 -5.777 1.00 0.00 C ATOM 382 CZ TYR A 204 23.207 19.791 -6.019 1.00 0.00 C ATOM 383 OH TYR A 204 23.595 20.579 -7.083 1.00 0.00 O ATOM 0 H TYR A 204 20.117 18.230 -1.123 1.00 0.00 H new ATOM 0 HA TYR A 204 20.216 16.835 -3.762 1.00 0.00 H new ATOM 0 HB2 TYR A 204 22.224 17.876 -1.733 1.00 0.00 H new ATOM 0 HB3 TYR A 204 22.651 16.433 -2.632 1.00 0.00 H new ATOM 0 HD1 TYR A 204 20.971 19.738 -3.450 1.00 0.00 H new ATOM 0 HD2 TYR A 204 23.974 16.841 -4.506 1.00 0.00 H new ATOM 0 HE1 TYR A 204 21.672 21.153 -5.366 1.00 0.00 H new ATOM 0 HE2 TYR A 204 24.654 18.250 -6.427 1.00 0.00 H new ATOM 0 HH TYR A 204 24.468 20.981 -6.891 1.00 0.00 H new ATOM 393 N ILE A 205 20.323 14.476 -2.859 1.00 0.00 N ATOM 394 CA ILE A 205 20.090 13.123 -2.335 1.00 0.00 C ATOM 395 C ILE A 205 21.354 12.270 -2.377 1.00 0.00 C ATOM 396 O ILE A 205 21.986 12.126 -3.424 1.00 0.00 O ATOM 397 CB ILE A 205 19.019 12.425 -3.190 1.00 0.00 C ATOM 398 CG1 ILE A 205 17.908 13.425 -3.543 1.00 0.00 C ATOM 399 CG2 ILE A 205 18.429 11.252 -2.403 1.00 0.00 C ATOM 400 CD1 ILE A 205 16.707 12.687 -4.152 1.00 0.00 C ATOM 0 H ILE A 205 20.493 14.514 -3.864 1.00 0.00 H new ATOM 0 HA ILE A 205 19.769 13.225 -1.298 1.00 0.00 H new ATOM 0 HB ILE A 205 19.471 12.054 -4.110 1.00 0.00 H new ATOM 0 HG12 ILE A 205 17.597 13.966 -2.649 1.00 0.00 H new ATOM 0 HG13 ILE A 205 18.285 14.166 -4.248 1.00 0.00 H new ATOM 0 HG21 ILE A 205 17.669 10.755 -3.006 1.00 0.00 H new ATOM 0 HG22 ILE A 205 19.220 10.543 -2.159 1.00 0.00 H new ATOM 0 HG23 ILE A 205 17.977 11.622 -1.483 1.00 0.00 H new ATOM 0 HD11 ILE A 205 15.925 13.406 -4.398 1.00 0.00 H new ATOM 0 HD12 ILE A 205 17.020 12.167 -5.057 1.00 0.00 H new ATOM 0 HD13 ILE A 205 16.322 11.964 -3.433 1.00 0.00 H new ATOM 412 N ASN A 206 21.689 11.677 -1.231 1.00 0.00 N ATOM 413 CA ASN A 206 22.852 10.798 -1.126 1.00 0.00 C ATOM 414 C ASN A 206 22.377 9.344 -1.189 1.00 0.00 C ATOM 415 O ASN A 206 21.823 8.830 -0.217 1.00 0.00 O ATOM 416 CB ASN A 206 23.588 11.046 0.201 1.00 0.00 C ATOM 417 CG ASN A 206 23.561 12.532 0.544 1.00 0.00 C ATOM 418 OD1 ASN A 206 23.109 13.349 -0.258 1.00 0.00 O ATOM 419 ND2 ASN A 206 24.015 12.932 1.699 1.00 0.00 N ATOM 0 H ASN A 206 21.169 11.790 -0.361 1.00 0.00 H new ATOM 0 HA ASN A 206 23.539 11.003 -1.947 1.00 0.00 H new ATOM 0 HB2 ASN A 206 23.118 10.472 0.999 1.00 0.00 H new ATOM 0 HB3 ASN A 206 24.619 10.701 0.124 1.00 0.00 H new ATOM 0 HD21 ASN A 206 23.996 13.923 1.939 1.00 0.00 H new ATOM 0 HD22 ASN A 206 24.389 12.254 2.363 1.00 0.00 H new ATOM 426 N HIS A 207 22.573 8.687 -2.330 1.00 0.00 N ATOM 427 CA HIS A 207 22.130 7.303 -2.473 1.00 0.00 C ATOM 428 C HIS A 207 22.865 6.405 -1.487 1.00 0.00 C ATOM 429 O HIS A 207 22.293 5.464 -0.937 1.00 0.00 O ATOM 430 CB HIS A 207 22.397 6.807 -3.891 1.00 0.00 C ATOM 431 CG HIS A 207 21.682 7.694 -4.872 1.00 0.00 C ATOM 432 ND1 HIS A 207 21.882 7.599 -6.241 1.00 0.00 N ATOM 433 CD2 HIS A 207 20.767 8.704 -4.697 1.00 0.00 C ATOM 434 CE1 HIS A 207 21.105 8.527 -6.830 1.00 0.00 C ATOM 435 NE2 HIS A 207 20.405 9.229 -5.934 1.00 0.00 N ATOM 0 H HIS A 207 23.027 9.081 -3.154 1.00 0.00 H new ATOM 0 HA HIS A 207 21.060 7.266 -2.268 1.00 0.00 H new ATOM 0 HB2 HIS A 207 23.468 6.811 -4.094 1.00 0.00 H new ATOM 0 HB3 HIS A 207 22.056 5.777 -3.999 1.00 0.00 H new ATOM 0 HD2 HIS A 207 20.386 9.040 -3.744 1.00 0.00 H new ATOM 0 HE1 HIS A 207 21.054 8.685 -7.897 1.00 0.00 H new ATOM 0 HE2 HIS A 207 19.747 9.987 -6.117 1.00 0.00 H new ATOM 443 N LYS A 208 24.142 6.697 -1.289 1.00 0.00 N ATOM 444 CA LYS A 208 24.974 5.907 -0.389 1.00 0.00 C ATOM 445 C LYS A 208 24.254 5.609 0.928 1.00 0.00 C ATOM 446 O LYS A 208 24.705 4.769 1.705 1.00 0.00 O ATOM 447 CB LYS A 208 26.298 6.640 -0.120 1.00 0.00 C ATOM 448 CG LYS A 208 26.098 7.799 0.869 1.00 0.00 C ATOM 449 CD LYS A 208 27.395 8.607 0.960 1.00 0.00 C ATOM 450 CE LYS A 208 27.206 9.780 1.925 1.00 0.00 C ATOM 451 NZ LYS A 208 26.857 9.258 3.277 1.00 0.00 N ATOM 0 H LYS A 208 24.626 7.474 -1.738 1.00 0.00 H new ATOM 0 HA LYS A 208 25.182 4.953 -0.874 1.00 0.00 H new ATOM 0 HB2 LYS A 208 27.031 5.939 0.280 1.00 0.00 H new ATOM 0 HB3 LYS A 208 26.702 7.023 -1.057 1.00 0.00 H new ATOM 0 HG2 LYS A 208 25.279 8.438 0.539 1.00 0.00 H new ATOM 0 HG3 LYS A 208 25.825 7.413 1.851 1.00 0.00 H new ATOM 0 HD2 LYS A 208 28.209 7.969 1.303 1.00 0.00 H new ATOM 0 HD3 LYS A 208 27.674 8.977 -0.027 1.00 0.00 H new ATOM 0 HE2 LYS A 208 28.119 10.373 1.977 1.00 0.00 H new ATOM 0 HE3 LYS A 208 26.417 10.440 1.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 208 27.025 9.998 3.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 208 25.854 8.982 3.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 208 27.448 8.430 3.493 1.00 0.00 H new ATOM 465 N ASN A 209 23.137 6.289 1.178 1.00 0.00 N ATOM 466 CA ASN A 209 22.392 6.054 2.418 1.00 0.00 C ATOM 467 C ASN A 209 20.962 6.592 2.328 1.00 0.00 C ATOM 468 O ASN A 209 20.252 6.646 3.330 1.00 0.00 O ATOM 469 CB ASN A 209 23.112 6.722 3.594 1.00 0.00 C ATOM 470 CG ASN A 209 22.485 6.262 4.913 1.00 0.00 C ATOM 471 OD1 ASN A 209 21.556 5.454 4.903 1.00 0.00 O ATOM 472 ND2 ASN A 209 22.928 6.729 6.056 1.00 0.00 N ATOM 0 H ASN A 209 22.733 6.991 0.557 1.00 0.00 H new ATOM 0 HA ASN A 209 22.342 4.976 2.574 1.00 0.00 H new ATOM 0 HB2 ASN A 209 24.172 6.467 3.576 1.00 0.00 H new ATOM 0 HB3 ASN A 209 23.043 7.806 3.506 1.00 0.00 H new ATOM 0 HD21 ASN A 209 22.503 6.423 6.931 1.00 0.00 H new ATOM 0 HD22 ASN A 209 23.697 7.399 6.070 1.00 0.00 H new ATOM 479 N LYS A 210 20.542 6.988 1.132 1.00 0.00 N ATOM 480 CA LYS A 210 19.189 7.518 0.957 1.00 0.00 C ATOM 481 C LYS A 210 18.940 8.650 1.950 1.00 0.00 C ATOM 482 O LYS A 210 17.795 8.935 2.304 1.00 0.00 O ATOM 483 CB LYS A 210 18.146 6.417 1.201 1.00 0.00 C ATOM 484 CG LYS A 210 18.408 5.183 0.318 1.00 0.00 C ATOM 485 CD LYS A 210 18.112 5.490 -1.157 1.00 0.00 C ATOM 486 CE LYS A 210 18.321 4.224 -1.989 1.00 0.00 C ATOM 487 NZ LYS A 210 18.067 4.528 -3.426 1.00 0.00 N ATOM 0 H LYS A 210 21.104 6.955 0.282 1.00 0.00 H new ATOM 0 HA LYS A 210 19.099 7.889 -0.064 1.00 0.00 H new ATOM 0 HB2 LYS A 210 18.164 6.124 2.251 1.00 0.00 H new ATOM 0 HB3 LYS A 210 17.149 6.807 0.996 1.00 0.00 H new ATOM 0 HG2 LYS A 210 19.446 4.867 0.426 1.00 0.00 H new ATOM 0 HG3 LYS A 210 17.786 4.353 0.653 1.00 0.00 H new ATOM 0 HD2 LYS A 210 17.088 5.847 -1.268 1.00 0.00 H new ATOM 0 HD3 LYS A 210 18.767 6.285 -1.513 1.00 0.00 H new ATOM 0 HE2 LYS A 210 19.338 3.854 -1.859 1.00 0.00 H new ATOM 0 HE3 LYS A 210 17.649 3.437 -1.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 210 18.209 3.668 -3.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 210 17.089 4.862 -3.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 210 18.726 5.266 -3.746 1.00 0.00 H new ATOM 501 N THR A 211 20.015 9.290 2.399 1.00 0.00 N ATOM 502 CA THR A 211 19.895 10.388 3.357 1.00 0.00 C ATOM 503 C THR A 211 19.642 11.704 2.634 1.00 0.00 C ATOM 504 O THR A 211 19.866 11.818 1.429 1.00 0.00 O ATOM 505 CB THR A 211 21.181 10.511 4.185 1.00 0.00 C ATOM 506 OG1 THR A 211 22.302 10.524 3.312 1.00 0.00 O ATOM 507 CG2 THR A 211 21.306 9.332 5.154 1.00 0.00 C ATOM 0 H THR A 211 20.971 9.072 2.119 1.00 0.00 H new ATOM 0 HA THR A 211 19.054 10.172 4.016 1.00 0.00 H new ATOM 0 HB THR A 211 21.145 11.437 4.759 1.00 0.00 H new ATOM 0 HG1 THR A 211 23.125 10.604 3.838 1.00 0.00 H new ATOM 0 HG21 THR A 211 22.223 9.434 5.734 1.00 0.00 H new ATOM 0 HG22 THR A 211 20.449 9.323 5.828 1.00 0.00 H new ATOM 0 HG23 THR A 211 21.335 8.399 4.591 1.00 0.00 H new ATOM 515 N THR A 212 19.188 12.703 3.388 1.00 0.00 N ATOM 516 CA THR A 212 18.916 14.030 2.828 1.00 0.00 C ATOM 517 C THR A 212 19.993 15.005 3.306 1.00 0.00 C ATOM 518 O THR A 212 20.316 15.027 4.494 1.00 0.00 O ATOM 519 CB THR A 212 17.549 14.518 3.314 1.00 0.00 C ATOM 520 OG1 THR A 212 17.598 14.727 4.719 1.00 0.00 O ATOM 521 CG2 THR A 212 16.483 13.470 2.991 1.00 0.00 C ATOM 0 H THR A 212 19.000 12.621 4.387 1.00 0.00 H new ATOM 0 HA THR A 212 18.920 13.975 1.739 1.00 0.00 H new ATOM 0 HB THR A 212 17.298 15.453 2.813 1.00 0.00 H new ATOM 0 HG1 THR A 212 18.533 14.767 5.011 1.00 0.00 H new ATOM 0 HG21 THR A 212 15.511 13.821 3.338 1.00 0.00 H new ATOM 0 HG22 THR A 212 16.447 13.308 1.914 1.00 0.00 H new ATOM 0 HG23 THR A 212 16.731 12.533 3.490 1.00 0.00 H new ATOM 529 N SER A 213 20.558 15.815 2.404 1.00 0.00 N ATOM 530 CA SER A 213 21.600 16.768 2.828 1.00 0.00 C ATOM 531 C SER A 213 21.676 17.976 1.886 1.00 0.00 C ATOM 532 O SER A 213 21.337 17.872 0.707 1.00 0.00 O ATOM 533 CB SER A 213 22.965 16.069 2.888 1.00 0.00 C ATOM 534 OG SER A 213 23.968 17.028 3.195 1.00 0.00 O ATOM 0 H SER A 213 20.326 15.836 1.411 1.00 0.00 H new ATOM 0 HA SER A 213 21.333 17.130 3.821 1.00 0.00 H new ATOM 0 HB2 SER A 213 22.952 15.284 3.644 1.00 0.00 H new ATOM 0 HB3 SER A 213 23.184 15.589 1.934 1.00 0.00 H new ATOM 0 HG SER A 213 24.189 16.976 4.148 1.00 0.00 H new ATOM 540 N TRP A 214 22.130 19.125 2.415 1.00 0.00 N ATOM 541 CA TRP A 214 22.250 20.348 1.607 1.00 0.00 C ATOM 542 C TRP A 214 23.689 20.529 1.122 1.00 0.00 C ATOM 543 O TRP A 214 23.974 21.420 0.322 1.00 0.00 O ATOM 544 CB TRP A 214 21.819 21.585 2.423 1.00 0.00 C ATOM 545 CG TRP A 214 20.703 21.201 3.363 1.00 0.00 C ATOM 546 CD1 TRP A 214 20.875 20.765 4.642 1.00 0.00 C ATOM 547 CD2 TRP A 214 19.252 21.202 3.131 1.00 0.00 C ATOM 548 NE1 TRP A 214 19.639 20.511 5.200 1.00 0.00 N ATOM 549 CE2 TRP A 214 18.611 20.763 4.318 1.00 0.00 C ATOM 550 CE3 TRP A 214 18.430 21.539 2.029 1.00 0.00 C ATOM 551 CZ2 TRP A 214 17.223 20.660 4.409 1.00 0.00 C ATOM 552 CZ3 TRP A 214 17.032 21.435 2.125 1.00 0.00 C ATOM 553 CH2 TRP A 214 16.431 20.998 3.312 1.00 0.00 C ATOM 0 H TRP A 214 22.417 19.231 3.388 1.00 0.00 H new ATOM 0 HA TRP A 214 21.592 20.248 0.744 1.00 0.00 H new ATOM 0 HB2 TRP A 214 22.666 21.976 2.987 1.00 0.00 H new ATOM 0 HB3 TRP A 214 21.488 22.379 1.753 1.00 0.00 H new ATOM 0 HD1 TRP A 214 21.825 20.639 5.139 1.00 0.00 H new ATOM 0 HE1 TRP A 214 19.502 20.176 6.154 1.00 0.00 H new ATOM 0 HE3 TRP A 214 18.880 21.878 1.108 1.00 0.00 H new ATOM 0 HZ2 TRP A 214 16.763 20.320 5.325 1.00 0.00 H new ATOM 0 HZ3 TRP A 214 16.416 21.694 1.277 1.00 0.00 H new ATOM 0 HH2 TRP A 214 15.356 20.923 3.378 1.00 0.00 H new ATOM 564 N LEU A 215 24.591 19.682 1.613 1.00 0.00 N ATOM 565 CA LEU A 215 25.998 19.776 1.216 1.00 0.00 C ATOM 566 C LEU A 215 26.134 19.525 -0.288 1.00 0.00 C ATOM 567 O LEU A 215 25.556 18.578 -0.819 1.00 0.00 O ATOM 568 CB LEU A 215 26.885 18.795 2.039 1.00 0.00 C ATOM 569 CG LEU A 215 26.814 17.330 1.502 1.00 0.00 C ATOM 570 CD1 LEU A 215 27.964 17.040 0.518 1.00 0.00 C ATOM 571 CD2 LEU A 215 26.951 16.320 2.662 1.00 0.00 C ATOM 0 H LEU A 215 24.381 18.935 2.275 1.00 0.00 H new ATOM 0 HA LEU A 215 26.353 20.784 1.431 1.00 0.00 H new ATOM 0 HB2 LEU A 215 27.919 19.138 2.014 1.00 0.00 H new ATOM 0 HB3 LEU A 215 26.568 18.812 3.082 1.00 0.00 H new ATOM 0 HG LEU A 215 25.851 17.225 1.003 1.00 0.00 H new ATOM 0 HD11 LEU A 215 27.888 16.013 0.162 1.00 0.00 H new ATOM 0 HD12 LEU A 215 27.900 17.724 -0.329 1.00 0.00 H new ATOM 0 HD13 LEU A 215 28.919 17.178 1.024 1.00 0.00 H new ATOM 0 HD21 LEU A 215 26.899 15.305 2.269 1.00 0.00 H new ATOM 0 HD22 LEU A 215 27.909 16.467 3.161 1.00 0.00 H new ATOM 0 HD23 LEU A 215 26.142 16.474 3.376 1.00 0.00 H new ATOM 583 N ASP A 216 26.882 20.396 -0.985 1.00 0.00 N ATOM 584 CA ASP A 216 27.061 20.259 -2.441 1.00 0.00 C ATOM 585 C ASP A 216 28.424 19.633 -2.775 1.00 0.00 C ATOM 586 O ASP A 216 29.448 20.310 -2.677 1.00 0.00 O ATOM 587 CB ASP A 216 26.971 21.635 -3.118 1.00 0.00 C ATOM 588 CG ASP A 216 26.860 21.461 -4.629 1.00 0.00 C ATOM 589 OD1 ASP A 216 25.939 20.787 -5.062 1.00 0.00 O ATOM 590 OD2 ASP A 216 27.697 22.003 -5.332 1.00 0.00 O ATOM 0 H ASP A 216 27.367 21.192 -0.571 1.00 0.00 H new ATOM 0 HA ASP A 216 26.269 19.608 -2.811 1.00 0.00 H new ATOM 0 HB2 ASP A 216 26.106 22.180 -2.741 1.00 0.00 H new ATOM 0 HB3 ASP A 216 27.852 22.228 -2.875 1.00 0.00 H new ATOM 595 N PRO A 217 28.476 18.374 -3.171 1.00 0.00 N ATOM 596 CA PRO A 217 29.760 17.705 -3.519 1.00 0.00 C ATOM 597 C PRO A 217 30.153 17.944 -4.976 1.00 0.00 C ATOM 598 O PRO A 217 31.210 17.500 -5.423 1.00 0.00 O ATOM 599 CB PRO A 217 29.456 16.231 -3.257 1.00 0.00 C ATOM 600 CG PRO A 217 28.007 16.075 -3.605 1.00 0.00 C ATOM 601 CD PRO A 217 27.341 17.441 -3.337 1.00 0.00 C ATOM 0 HA PRO A 217 30.605 18.082 -2.943 1.00 0.00 H new ATOM 0 HB2 PRO A 217 30.083 15.582 -3.869 1.00 0.00 H new ATOM 0 HB3 PRO A 217 29.644 15.966 -2.216 1.00 0.00 H new ATOM 0 HG2 PRO A 217 27.888 15.784 -4.649 1.00 0.00 H new ATOM 0 HG3 PRO A 217 27.545 15.294 -3.001 1.00 0.00 H new ATOM 0 HD2 PRO A 217 26.698 17.740 -4.165 1.00 0.00 H new ATOM 0 HD3 PRO A 217 26.717 17.411 -2.444 1.00 0.00 H new ATOM 609 N ARG A 218 29.290 18.640 -5.715 1.00 0.00 N ATOM 610 CA ARG A 218 29.551 18.926 -7.122 1.00 0.00 C ATOM 611 C ARG A 218 31.025 19.267 -7.348 1.00 0.00 C ATOM 612 O ARG A 218 31.590 18.934 -8.390 1.00 0.00 O ATOM 613 CB ARG A 218 28.673 20.100 -7.595 1.00 0.00 C ATOM 614 CG ARG A 218 28.820 20.313 -9.127 1.00 0.00 C ATOM 615 CD ARG A 218 28.832 21.811 -9.454 1.00 0.00 C ATOM 616 NE ARG A 218 27.557 22.418 -9.092 1.00 0.00 N ATOM 617 CZ ARG A 218 27.358 23.726 -9.221 1.00 0.00 C ATOM 618 NH1 ARG A 218 28.308 24.488 -9.688 1.00 0.00 N ATOM 619 NH2 ARG A 218 26.210 24.247 -8.885 1.00 0.00 N ATOM 0 H ARG A 218 28.409 19.014 -5.363 1.00 0.00 H new ATOM 0 HA ARG A 218 29.308 18.033 -7.698 1.00 0.00 H new ATOM 0 HB2 ARG A 218 27.630 19.903 -7.349 1.00 0.00 H new ATOM 0 HB3 ARG A 218 28.959 21.010 -7.067 1.00 0.00 H new ATOM 0 HG2 ARG A 218 29.741 19.849 -9.479 1.00 0.00 H new ATOM 0 HG3 ARG A 218 27.997 19.826 -9.650 1.00 0.00 H new ATOM 0 HD2 ARG A 218 29.642 22.301 -8.914 1.00 0.00 H new ATOM 0 HD3 ARG A 218 29.023 21.957 -10.517 1.00 0.00 H new ATOM 0 HE ARG A 218 26.805 21.829 -8.734 1.00 0.00 H new ATOM 0 HH11 ARG A 218 29.204 24.080 -9.954 1.00 0.00 H new ATOM 0 HH12 ARG A 218 28.155 25.492 -9.787 1.00 0.00 H new ATOM 0 HH21 ARG A 218 25.466 23.651 -8.523 1.00 0.00 H new ATOM 0 HH22 ARG A 218 26.057 25.251 -8.984 1.00 0.00 H new ATOM 633 N LEU A 219 31.649 19.933 -6.373 1.00 0.00 N ATOM 634 CA LEU A 219 33.060 20.309 -6.499 1.00 0.00 C ATOM 635 C LEU A 219 33.774 20.157 -5.155 1.00 0.00 C ATOM 636 O LEU A 219 34.089 21.147 -4.494 1.00 0.00 O ATOM 637 CB LEU A 219 33.168 21.764 -6.991 1.00 0.00 C ATOM 638 CG LEU A 219 34.636 22.157 -7.253 1.00 0.00 C ATOM 639 CD1 LEU A 219 35.204 21.395 -8.470 1.00 0.00 C ATOM 640 CD2 LEU A 219 34.701 23.669 -7.515 1.00 0.00 C ATOM 0 H LEU A 219 31.208 20.220 -5.499 1.00 0.00 H new ATOM 0 HA LEU A 219 33.537 19.648 -7.223 1.00 0.00 H new ATOM 0 HB2 LEU A 219 32.588 21.885 -7.906 1.00 0.00 H new ATOM 0 HB3 LEU A 219 32.736 22.435 -6.248 1.00 0.00 H new ATOM 0 HG LEU A 219 35.235 21.896 -6.381 1.00 0.00 H new ATOM 0 HD11 LEU A 219 36.240 21.691 -8.633 1.00 0.00 H new ATOM 0 HD12 LEU A 219 35.158 20.322 -8.282 1.00 0.00 H new ATOM 0 HD13 LEU A 219 34.615 21.633 -9.356 1.00 0.00 H new ATOM 0 HD21 LEU A 219 35.734 23.962 -7.702 1.00 0.00 H new ATOM 0 HD22 LEU A 219 34.091 23.914 -8.385 1.00 0.00 H new ATOM 0 HD23 LEU A 219 34.324 24.206 -6.644 1.00 0.00 H new ATOM 652 N GLU A 220 34.027 18.912 -4.755 1.00 0.00 N ATOM 653 CA GLU A 220 34.705 18.646 -3.491 1.00 0.00 C ATOM 654 C GLU A 220 34.017 19.397 -2.345 1.00 0.00 C ATOM 655 O GLU A 220 34.197 20.606 -2.197 1.00 0.00 O ATOM 656 CB GLU A 220 36.171 19.091 -3.588 1.00 0.00 C ATOM 657 CG GLU A 220 36.934 18.692 -2.317 1.00 0.00 C ATOM 658 CD GLU A 220 37.076 17.175 -2.246 1.00 0.00 C ATOM 659 OE1 GLU A 220 36.762 16.522 -3.229 1.00 0.00 O ATOM 660 OE2 GLU A 220 37.504 16.687 -1.214 1.00 0.00 O ATOM 0 H GLU A 220 33.774 18.078 -5.285 1.00 0.00 H new ATOM 0 HA GLU A 220 34.659 17.576 -3.288 1.00 0.00 H new ATOM 0 HB2 GLU A 220 36.640 18.635 -4.460 1.00 0.00 H new ATOM 0 HB3 GLU A 220 36.222 20.171 -3.727 1.00 0.00 H new ATOM 0 HG2 GLU A 220 37.919 19.158 -2.314 1.00 0.00 H new ATOM 0 HG3 GLU A 220 36.406 19.057 -1.436 1.00 0.00 H new ATOM 667 N THR A 221 33.228 18.686 -1.536 1.00 0.00 N ATOM 668 CA THR A 221 32.526 19.327 -0.421 1.00 0.00 C ATOM 669 C THR A 221 33.515 19.740 0.685 1.00 0.00 C ATOM 670 O THR A 221 33.163 19.818 1.860 1.00 0.00 O ATOM 671 CB THR A 221 31.391 18.390 0.095 1.00 0.00 C ATOM 672 OG1 THR A 221 30.207 19.158 0.250 1.00 0.00 O ATOM 673 CG2 THR A 221 31.709 17.695 1.445 1.00 0.00 C ATOM 0 H THR A 221 33.061 17.684 -1.628 1.00 0.00 H new ATOM 0 HA THR A 221 32.055 20.248 -0.765 1.00 0.00 H new ATOM 0 HB THR A 221 31.278 17.598 -0.645 1.00 0.00 H new ATOM 0 HG1 THR A 221 29.995 19.606 -0.595 1.00 0.00 H new ATOM 0 HG21 THR A 221 30.871 17.062 1.735 1.00 0.00 H new ATOM 0 HG22 THR A 221 32.605 17.084 1.337 1.00 0.00 H new ATOM 0 HG23 THR A 221 31.875 18.451 2.213 1.00 0.00 H new ATOM 681 N ARG A 222 34.756 20.037 0.285 1.00 0.00 N ATOM 682 CA ARG A 222 35.792 20.472 1.233 1.00 0.00 C ATOM 683 C ARG A 222 36.730 21.469 0.562 1.00 0.00 C ATOM 684 O ARG A 222 37.147 22.402 1.230 1.00 0.00 O ATOM 685 CB ARG A 222 36.613 19.280 1.754 1.00 0.00 C ATOM 686 CG ARG A 222 35.745 18.406 2.657 1.00 0.00 C ATOM 687 CD ARG A 222 36.567 17.219 3.162 1.00 0.00 C ATOM 688 NE ARG A 222 36.882 16.318 2.059 1.00 0.00 N ATOM 689 CZ ARG A 222 37.608 15.223 2.253 1.00 0.00 C ATOM 690 NH1 ARG A 222 38.055 14.939 3.445 1.00 0.00 N ATOM 691 NH2 ARG A 222 37.872 14.429 1.250 1.00 0.00 N ATOM 692 OXT ARG A 222 37.019 21.284 -0.609 1.00 0.00 O ATOM 0 H ARG A 222 35.069 19.985 -0.685 1.00 0.00 H new ATOM 0 HA ARG A 222 35.289 20.944 2.077 1.00 0.00 H new ATOM 0 HB2 ARG A 222 36.989 18.692 0.916 1.00 0.00 H new ATOM 0 HB3 ARG A 222 37.481 19.639 2.306 1.00 0.00 H new ATOM 0 HG2 ARG A 222 35.375 18.990 3.499 1.00 0.00 H new ATOM 0 HG3 ARG A 222 34.873 18.051 2.108 1.00 0.00 H new ATOM 0 HD2 ARG A 222 37.488 17.575 3.624 1.00 0.00 H new ATOM 0 HD3 ARG A 222 36.011 16.683 3.931 1.00 0.00 H new ATOM 0 HE ARG A 222 36.539 16.533 1.123 1.00 0.00 H new ATOM 0 HH11 ARG A 222 37.847 15.558 4.229 1.00 0.00 H new ATOM 0 HH12 ARG A 222 38.613 14.098 3.594 1.00 0.00 H new ATOM 0 HH21 ARG A 222 37.521 14.650 0.318 1.00 0.00 H new ATOM 0 HH22 ARG A 222 38.430 13.588 1.398 1.00 0.00 H new TER 706 ARG A 222