USER MOD reduce.3.24.130724 H: found=0, std=0, add=340, rem=0, adj=13 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 207 HIS : no HD1:sc= 0.306 K(o=0.7,f=-1.6) USER MOD Set 1.2: A 210 LYS NZ :NH3+ 174:sc= 0.396 (180deg=0) USER MOD Set 2.1: A 194 GLN : amide:sc= -3.68! C(o=-3.1!,f=-12!) USER MOD Set 2.2: A 204 TYR OH : rot -63:sc= 0.532 USER MOD Set 3.1: A 178 SER OG : rot 121:sc= 0.24 USER MOD Set 3.2: A 180 ASN : amide:sc= -0.174 K(o=0.066,f=-7.9!) USER MOD Single : A 181 SER OG : rot -106:sc= 1.07 USER MOD Single : A 182 SER OG : rot 60:sc= 0.167 USER MOD Single : A 185 SER OG : rot -23:sc= 0.215 USER MOD Single : A 197 THR OG1 : rot -95:sc= 1.78 USER MOD Single : A 203 TYR OH : rot 180:sc= -0.155 USER MOD Single : A 206 ASN : amide:sc= -3.19 K(o=-3.2,f=-8.5!) USER MOD Single : A 208 LYS NZ :NH3+ -101:sc= -2.47! (180deg=-4.35!) USER MOD Single : A 209 ASN : amide:sc= -1.96! C(o=-2!,f=-4.5!) USER MOD Single : A 211 THR OG1 : rot 180:sc= -0.0442 USER MOD Single : A 212 THR OG1 : rot 16:sc= 0.245! USER MOD Single : A 213 SER OG : rot -2:sc= 1.02 USER MOD Single : A 221 THR OG1 : rot -58:sc= 1.15 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 177 40.114 4.562 -20.724 1.00 0.00 N ATOM 2 CA GLY A 177 39.899 5.488 -19.577 1.00 0.00 C ATOM 3 C GLY A 177 41.247 5.953 -19.037 1.00 0.00 C ATOM 4 O GLY A 177 42.009 5.162 -18.482 1.00 0.00 O ATOM 0 HA2 GLY A 177 39.307 6.346 -19.895 1.00 0.00 H new ATOM 0 HA3 GLY A 177 39.335 4.986 -18.791 1.00 0.00 H new ATOM 10 N SER A 178 41.536 7.240 -19.200 1.00 0.00 N ATOM 11 CA SER A 178 42.798 7.791 -18.721 1.00 0.00 C ATOM 12 C SER A 178 42.812 7.818 -17.189 1.00 0.00 C ATOM 13 O SER A 178 41.766 7.989 -16.563 1.00 0.00 O ATOM 14 CB SER A 178 42.983 9.209 -19.266 1.00 0.00 C ATOM 15 OG SER A 178 41.856 9.999 -18.912 1.00 0.00 O ATOM 0 H SER A 178 40.921 7.914 -19.655 1.00 0.00 H new ATOM 0 HA SER A 178 43.616 7.161 -19.071 1.00 0.00 H new ATOM 0 HB2 SER A 178 43.893 9.651 -18.860 1.00 0.00 H new ATOM 0 HB3 SER A 178 43.097 9.182 -20.350 1.00 0.00 H new ATOM 0 HG SER A 178 42.149 10.765 -18.375 1.00 0.00 H new ATOM 21 N PRO A 179 43.959 7.648 -16.569 1.00 0.00 N ATOM 22 CA PRO A 179 44.071 7.651 -15.078 1.00 0.00 C ATOM 23 C PRO A 179 43.788 9.032 -14.481 1.00 0.00 C ATOM 24 O PRO A 179 43.508 9.154 -13.289 1.00 0.00 O ATOM 25 CB PRO A 179 45.521 7.208 -14.815 1.00 0.00 C ATOM 26 CG PRO A 179 46.269 7.575 -16.058 1.00 0.00 C ATOM 27 CD PRO A 179 45.272 7.435 -17.210 1.00 0.00 C ATOM 0 HA PRO A 179 43.338 6.994 -14.610 1.00 0.00 H new ATOM 0 HB2 PRO A 179 45.935 7.712 -13.942 1.00 0.00 H new ATOM 0 HB3 PRO A 179 45.578 6.137 -14.622 1.00 0.00 H new ATOM 0 HG2 PRO A 179 46.652 8.594 -15.996 1.00 0.00 H new ATOM 0 HG3 PRO A 179 47.128 6.920 -16.204 1.00 0.00 H new ATOM 0 HD2 PRO A 179 45.459 8.171 -17.992 1.00 0.00 H new ATOM 0 HD3 PRO A 179 45.335 6.452 -17.676 1.00 0.00 H new ATOM 35 N ASN A 180 43.862 10.067 -15.317 1.00 0.00 N ATOM 36 CA ASN A 180 43.612 11.439 -14.857 1.00 0.00 C ATOM 37 C ASN A 180 42.196 11.882 -15.216 1.00 0.00 C ATOM 38 O ASN A 180 41.868 13.065 -15.133 1.00 0.00 O ATOM 39 CB ASN A 180 44.623 12.408 -15.480 1.00 0.00 C ATOM 40 CG ASN A 180 44.550 12.338 -17.002 1.00 0.00 C ATOM 41 OD1 ASN A 180 43.641 11.718 -17.555 1.00 0.00 O ATOM 42 ND2 ASN A 180 45.461 12.942 -17.716 1.00 0.00 N ATOM 0 H ASN A 180 44.091 9.987 -16.308 1.00 0.00 H new ATOM 0 HA ASN A 180 43.723 11.452 -13.773 1.00 0.00 H new ATOM 0 HB2 ASN A 180 44.417 13.425 -15.145 1.00 0.00 H new ATOM 0 HB3 ASN A 180 45.630 12.160 -15.145 1.00 0.00 H new ATOM 0 HD21 ASN A 180 45.421 12.901 -18.734 1.00 0.00 H new ATOM 0 HD22 ASN A 180 46.213 13.455 -17.255 1.00 0.00 H new ATOM 49 N SER A 181 41.358 10.926 -15.606 1.00 0.00 N ATOM 50 CA SER A 181 39.976 11.238 -15.963 1.00 0.00 C ATOM 51 C SER A 181 39.152 11.490 -14.703 1.00 0.00 C ATOM 52 O SER A 181 39.523 11.051 -13.614 1.00 0.00 O ATOM 53 CB SER A 181 39.363 10.080 -16.750 1.00 0.00 C ATOM 54 OG SER A 181 39.577 8.867 -16.042 1.00 0.00 O ATOM 0 H SER A 181 41.607 9.940 -15.683 1.00 0.00 H new ATOM 0 HA SER A 181 39.970 12.136 -16.581 1.00 0.00 H new ATOM 0 HB2 SER A 181 38.296 10.247 -16.894 1.00 0.00 H new ATOM 0 HB3 SER A 181 39.813 10.020 -17.741 1.00 0.00 H new ATOM 0 HG SER A 181 40.270 8.342 -16.494 1.00 0.00 H new ATOM 60 N SER A 182 38.037 12.197 -14.856 1.00 0.00 N ATOM 61 CA SER A 182 37.176 12.497 -13.718 1.00 0.00 C ATOM 62 C SER A 182 35.926 13.247 -14.171 1.00 0.00 C ATOM 63 O SER A 182 35.804 14.453 -13.960 1.00 0.00 O ATOM 64 CB SER A 182 37.938 13.346 -12.700 1.00 0.00 C ATOM 65 OG SER A 182 38.577 14.423 -13.372 1.00 0.00 O ATOM 0 H SER A 182 37.711 12.570 -15.748 1.00 0.00 H new ATOM 0 HA SER A 182 36.874 11.556 -13.258 1.00 0.00 H new ATOM 0 HB2 SER A 182 37.253 13.729 -11.943 1.00 0.00 H new ATOM 0 HB3 SER A 182 38.677 12.736 -12.181 1.00 0.00 H new ATOM 0 HG SER A 182 37.903 14.975 -13.821 1.00 0.00 H new ATOM 71 N PRO A 183 35.001 12.557 -14.783 1.00 0.00 N ATOM 72 CA PRO A 183 33.730 13.174 -15.272 1.00 0.00 C ATOM 73 C PRO A 183 32.961 13.851 -14.132 1.00 0.00 C ATOM 74 O PRO A 183 32.586 13.199 -13.158 1.00 0.00 O ATOM 75 CB PRO A 183 32.944 11.977 -15.860 1.00 0.00 C ATOM 76 CG PRO A 183 33.972 10.919 -16.124 1.00 0.00 C ATOM 77 CD PRO A 183 35.063 11.117 -15.075 1.00 0.00 C ATOM 0 HA PRO A 183 33.899 13.963 -16.005 1.00 0.00 H new ATOM 0 HB2 PRO A 183 32.186 11.623 -15.161 1.00 0.00 H new ATOM 0 HB3 PRO A 183 32.426 12.259 -16.776 1.00 0.00 H new ATOM 0 HG2 PRO A 183 33.535 9.923 -16.048 1.00 0.00 H new ATOM 0 HG3 PRO A 183 34.378 11.013 -17.131 1.00 0.00 H new ATOM 0 HD2 PRO A 183 34.876 10.518 -14.184 1.00 0.00 H new ATOM 0 HD3 PRO A 183 36.042 10.826 -15.455 1.00 0.00 H new ATOM 85 N ALA A 184 32.729 15.160 -14.262 1.00 0.00 N ATOM 86 CA ALA A 184 31.996 15.907 -13.221 1.00 0.00 C ATOM 87 C ALA A 184 31.757 17.344 -13.669 1.00 0.00 C ATOM 88 O ALA A 184 31.186 18.147 -12.934 1.00 0.00 O ATOM 89 CB ALA A 184 32.781 15.915 -11.897 1.00 0.00 C ATOM 0 H ALA A 184 33.029 15.721 -15.059 1.00 0.00 H new ATOM 0 HA ALA A 184 31.039 15.409 -13.064 1.00 0.00 H new ATOM 0 HB1 ALA A 184 32.221 16.471 -11.145 1.00 0.00 H new ATOM 0 HB2 ALA A 184 32.928 14.891 -11.555 1.00 0.00 H new ATOM 0 HB3 ALA A 184 33.750 16.389 -12.052 1.00 0.00 H new ATOM 95 N SER A 185 32.202 17.659 -14.880 1.00 0.00 N ATOM 96 CA SER A 185 32.032 19.007 -15.420 1.00 0.00 C ATOM 97 C SER A 185 30.557 19.298 -15.683 1.00 0.00 C ATOM 98 O SER A 185 30.163 20.451 -15.853 1.00 0.00 O ATOM 99 CB SER A 185 32.823 19.176 -16.721 1.00 0.00 C ATOM 100 OG SER A 185 32.678 20.511 -17.187 1.00 0.00 O ATOM 0 H SER A 185 32.679 17.008 -15.503 1.00 0.00 H new ATOM 0 HA SER A 185 32.411 19.712 -14.680 1.00 0.00 H new ATOM 0 HB2 SER A 185 33.876 18.949 -16.552 1.00 0.00 H new ATOM 0 HB3 SER A 185 32.463 18.474 -17.473 1.00 0.00 H new ATOM 0 HG SER A 185 31.855 20.898 -16.821 1.00 0.00 H new ATOM 106 N GLY A 186 29.748 18.244 -15.722 1.00 0.00 N ATOM 107 CA GLY A 186 28.315 18.405 -15.974 1.00 0.00 C ATOM 108 C GLY A 186 27.506 17.188 -15.518 1.00 0.00 C ATOM 109 O GLY A 186 26.428 17.339 -14.945 1.00 0.00 O ATOM 0 H GLY A 186 30.052 17.280 -15.585 1.00 0.00 H new ATOM 0 HA2 GLY A 186 27.954 19.293 -15.456 1.00 0.00 H new ATOM 0 HA3 GLY A 186 28.152 18.569 -17.039 1.00 0.00 H new ATOM 113 N PRO A 187 27.987 15.993 -15.768 1.00 0.00 N ATOM 114 CA PRO A 187 27.273 14.737 -15.383 1.00 0.00 C ATOM 115 C PRO A 187 27.111 14.594 -13.868 1.00 0.00 C ATOM 116 O PRO A 187 27.901 15.129 -13.091 1.00 0.00 O ATOM 117 CB PRO A 187 28.148 13.611 -15.978 1.00 0.00 C ATOM 118 CG PRO A 187 29.029 14.289 -16.983 1.00 0.00 C ATOM 119 CD PRO A 187 29.257 15.694 -16.443 1.00 0.00 C ATOM 0 HA PRO A 187 26.251 14.718 -15.762 1.00 0.00 H new ATOM 0 HB2 PRO A 187 28.738 13.120 -15.204 1.00 0.00 H new ATOM 0 HB3 PRO A 187 27.535 12.842 -16.447 1.00 0.00 H new ATOM 0 HG2 PRO A 187 29.972 13.756 -17.100 1.00 0.00 H new ATOM 0 HG3 PRO A 187 28.555 14.318 -17.964 1.00 0.00 H new ATOM 0 HD2 PRO A 187 30.100 15.730 -15.753 1.00 0.00 H new ATOM 0 HD3 PRO A 187 29.468 16.405 -17.242 1.00 0.00 H new ATOM 127 N LEU A 188 26.077 13.853 -13.467 1.00 0.00 N ATOM 128 CA LEU A 188 25.787 13.610 -12.047 1.00 0.00 C ATOM 129 C LEU A 188 25.947 12.108 -11.749 1.00 0.00 C ATOM 130 O LEU A 188 25.002 11.340 -11.925 1.00 0.00 O ATOM 131 CB LEU A 188 24.336 14.055 -11.699 1.00 0.00 C ATOM 132 CG LEU A 188 24.285 15.548 -11.294 1.00 0.00 C ATOM 133 CD1 LEU A 188 24.323 16.457 -12.533 1.00 0.00 C ATOM 134 CD2 LEU A 188 22.985 15.816 -10.522 1.00 0.00 C ATOM 0 H LEU A 188 25.421 13.407 -14.108 1.00 0.00 H new ATOM 0 HA LEU A 188 26.483 14.189 -11.440 1.00 0.00 H new ATOM 0 HB2 LEU A 188 23.686 13.887 -12.558 1.00 0.00 H new ATOM 0 HB3 LEU A 188 23.951 13.442 -10.884 1.00 0.00 H new ATOM 0 HG LEU A 188 25.153 15.767 -10.672 1.00 0.00 H new ATOM 0 HD11 LEU A 188 24.286 17.500 -12.220 1.00 0.00 H new ATOM 0 HD12 LEU A 188 25.244 16.277 -13.088 1.00 0.00 H new ATOM 0 HD13 LEU A 188 23.466 16.239 -13.171 1.00 0.00 H new ATOM 0 HD21 LEU A 188 22.943 16.866 -10.234 1.00 0.00 H new ATOM 0 HD22 LEU A 188 22.130 15.579 -11.155 1.00 0.00 H new ATOM 0 HD23 LEU A 188 22.958 15.193 -9.628 1.00 0.00 H new ATOM 146 N PRO A 189 27.110 11.672 -11.309 1.00 0.00 N ATOM 147 CA PRO A 189 27.353 10.228 -10.998 1.00 0.00 C ATOM 148 C PRO A 189 26.358 9.678 -9.970 1.00 0.00 C ATOM 149 O PRO A 189 25.918 10.394 -9.070 1.00 0.00 O ATOM 150 CB PRO A 189 28.794 10.199 -10.449 1.00 0.00 C ATOM 151 CG PRO A 189 29.435 11.457 -10.946 1.00 0.00 C ATOM 152 CD PRO A 189 28.314 12.488 -11.071 1.00 0.00 C ATOM 0 HA PRO A 189 27.221 9.598 -11.877 1.00 0.00 H new ATOM 0 HB2 PRO A 189 28.799 10.160 -9.360 1.00 0.00 H new ATOM 0 HB3 PRO A 189 29.331 9.319 -10.802 1.00 0.00 H new ATOM 0 HG2 PRO A 189 30.204 11.801 -10.255 1.00 0.00 H new ATOM 0 HG3 PRO A 189 29.921 11.292 -11.908 1.00 0.00 H new ATOM 0 HD2 PRO A 189 28.219 13.087 -10.165 1.00 0.00 H new ATOM 0 HD3 PRO A 189 28.497 13.180 -11.893 1.00 0.00 H new ATOM 160 N GLU A 190 26.013 8.401 -10.117 1.00 0.00 N ATOM 161 CA GLU A 190 25.066 7.757 -9.197 1.00 0.00 C ATOM 162 C GLU A 190 25.570 7.884 -7.757 1.00 0.00 C ATOM 163 O GLU A 190 26.727 7.572 -7.475 1.00 0.00 O ATOM 164 CB GLU A 190 24.895 6.263 -9.559 1.00 0.00 C ATOM 165 CG GLU A 190 23.853 5.603 -8.644 1.00 0.00 C ATOM 166 CD GLU A 190 22.466 6.170 -8.930 1.00 0.00 C ATOM 167 OE1 GLU A 190 22.323 6.870 -9.919 1.00 0.00 O ATOM 168 OE2 GLU A 190 21.561 5.884 -8.162 1.00 0.00 O ATOM 0 H GLU A 190 26.368 7.793 -10.855 1.00 0.00 H new ATOM 0 HA GLU A 190 24.100 8.254 -9.287 1.00 0.00 H new ATOM 0 HB2 GLU A 190 24.586 6.168 -10.600 1.00 0.00 H new ATOM 0 HB3 GLU A 190 25.851 5.748 -9.462 1.00 0.00 H new ATOM 0 HG2 GLU A 190 23.852 4.524 -8.801 1.00 0.00 H new ATOM 0 HG3 GLU A 190 24.115 5.773 -7.600 1.00 0.00 H new ATOM 175 N GLY A 191 24.704 8.348 -6.844 1.00 0.00 N ATOM 176 CA GLY A 191 25.093 8.512 -5.433 1.00 0.00 C ATOM 177 C GLY A 191 24.925 9.962 -4.995 1.00 0.00 C ATOM 178 O GLY A 191 25.056 10.284 -3.814 1.00 0.00 O ATOM 0 H GLY A 191 23.741 8.614 -7.052 1.00 0.00 H new ATOM 0 HA2 GLY A 191 24.483 7.864 -4.804 1.00 0.00 H new ATOM 0 HA3 GLY A 191 26.130 8.203 -5.298 1.00 0.00 H new ATOM 182 N TRP A 192 24.631 10.833 -5.957 1.00 0.00 N ATOM 183 CA TRP A 192 24.451 12.249 -5.667 1.00 0.00 C ATOM 184 C TRP A 192 23.602 12.917 -6.743 1.00 0.00 C ATOM 185 O TRP A 192 24.125 13.515 -7.682 1.00 0.00 O ATOM 186 CB TRP A 192 25.812 12.945 -5.587 1.00 0.00 C ATOM 187 CG TRP A 192 26.541 12.477 -4.369 1.00 0.00 C ATOM 188 CD1 TRP A 192 27.582 11.613 -4.369 1.00 0.00 C ATOM 189 CD2 TRP A 192 26.303 12.830 -2.976 1.00 0.00 C ATOM 190 NE1 TRP A 192 27.998 11.415 -3.065 1.00 0.00 N ATOM 191 CE2 TRP A 192 27.240 12.143 -2.169 1.00 0.00 C ATOM 192 CE3 TRP A 192 25.373 13.672 -2.342 1.00 0.00 C ATOM 193 CZ2 TRP A 192 27.253 12.287 -0.781 1.00 0.00 C ATOM 194 CZ3 TRP A 192 25.382 13.818 -0.945 1.00 0.00 C ATOM 195 CH2 TRP A 192 26.321 13.128 -0.166 1.00 0.00 C ATOM 0 H TRP A 192 24.513 10.583 -6.939 1.00 0.00 H new ATOM 0 HA TRP A 192 23.939 12.338 -4.709 1.00 0.00 H new ATOM 0 HB2 TRP A 192 26.397 12.726 -6.480 1.00 0.00 H new ATOM 0 HB3 TRP A 192 25.678 14.026 -5.550 1.00 0.00 H new ATOM 0 HD1 TRP A 192 28.017 11.153 -5.244 1.00 0.00 H new ATOM 0 HE1 TRP A 192 28.771 10.805 -2.798 1.00 0.00 H new ATOM 0 HE3 TRP A 192 24.647 14.210 -2.933 1.00 0.00 H new ATOM 0 HZ2 TRP A 192 27.978 11.752 -0.186 1.00 0.00 H new ATOM 0 HZ3 TRP A 192 24.661 14.466 -0.468 1.00 0.00 H new ATOM 0 HH2 TRP A 192 26.324 13.246 0.908 1.00 0.00 H new ATOM 206 N GLU A 193 22.284 12.818 -6.587 1.00 0.00 N ATOM 207 CA GLU A 193 21.344 13.428 -7.542 1.00 0.00 C ATOM 208 C GLU A 193 20.634 14.609 -6.884 1.00 0.00 C ATOM 209 O GLU A 193 20.365 14.588 -5.683 1.00 0.00 O ATOM 210 CB GLU A 193 20.295 12.405 -8.020 1.00 0.00 C ATOM 211 CG GLU A 193 20.968 11.287 -8.820 1.00 0.00 C ATOM 212 CD GLU A 193 21.612 10.273 -7.880 1.00 0.00 C ATOM 213 OE1 GLU A 193 21.600 10.510 -6.684 1.00 0.00 O ATOM 214 OE2 GLU A 193 22.110 9.274 -8.371 1.00 0.00 O ATOM 0 H GLU A 193 21.838 12.325 -5.814 1.00 0.00 H new ATOM 0 HA GLU A 193 21.914 13.770 -8.406 1.00 0.00 H new ATOM 0 HB2 GLU A 193 19.772 11.983 -7.162 1.00 0.00 H new ATOM 0 HB3 GLU A 193 19.547 12.903 -8.637 1.00 0.00 H new ATOM 0 HG2 GLU A 193 20.232 10.790 -9.452 1.00 0.00 H new ATOM 0 HG3 GLU A 193 21.724 11.709 -9.482 1.00 0.00 H new ATOM 221 N GLN A 194 20.340 15.646 -7.672 1.00 0.00 N ATOM 222 CA GLN A 194 19.665 16.844 -7.150 1.00 0.00 C ATOM 223 C GLN A 194 18.185 16.830 -7.507 1.00 0.00 C ATOM 224 O GLN A 194 17.813 16.520 -8.639 1.00 0.00 O ATOM 225 CB GLN A 194 20.327 18.105 -7.716 1.00 0.00 C ATOM 226 CG GLN A 194 19.606 19.359 -7.210 1.00 0.00 C ATOM 227 CD GLN A 194 20.355 20.605 -7.665 1.00 0.00 C ATOM 228 OE1 GLN A 194 21.516 20.521 -8.067 1.00 0.00 O ATOM 229 NE2 GLN A 194 19.758 21.765 -7.625 1.00 0.00 N ATOM 0 H GLN A 194 20.556 15.684 -8.668 1.00 0.00 H new ATOM 0 HA GLN A 194 19.757 16.845 -6.064 1.00 0.00 H new ATOM 0 HB2 GLN A 194 21.376 18.137 -7.421 1.00 0.00 H new ATOM 0 HB3 GLN A 194 20.303 18.078 -8.805 1.00 0.00 H new ATOM 0 HG2 GLN A 194 18.584 19.380 -7.589 1.00 0.00 H new ATOM 0 HG3 GLN A 194 19.543 19.339 -6.122 1.00 0.00 H new ATOM 0 HE21 GLN A 194 18.796 21.832 -7.292 1.00 0.00 H new ATOM 0 HE22 GLN A 194 20.253 22.604 -7.927 1.00 0.00 H new ATOM 238 N ALA A 195 17.345 17.168 -6.532 1.00 0.00 N ATOM 239 CA ALA A 195 15.902 17.187 -6.766 1.00 0.00 C ATOM 240 C ALA A 195 15.165 17.916 -5.641 1.00 0.00 C ATOM 241 O ALA A 195 15.731 18.186 -4.582 1.00 0.00 O ATOM 242 CB ALA A 195 15.370 15.755 -6.901 1.00 0.00 C ATOM 0 H ALA A 195 17.631 17.428 -5.588 1.00 0.00 H new ATOM 0 HA ALA A 195 15.720 17.728 -7.695 1.00 0.00 H new ATOM 0 HB1 ALA A 195 14.294 15.781 -7.075 1.00 0.00 H new ATOM 0 HB2 ALA A 195 15.861 15.262 -7.740 1.00 0.00 H new ATOM 0 HB3 ALA A 195 15.576 15.202 -5.984 1.00 0.00 H new ATOM 248 N ILE A 196 13.899 18.243 -5.895 1.00 0.00 N ATOM 249 CA ILE A 196 13.071 18.959 -4.920 1.00 0.00 C ATOM 250 C ILE A 196 12.296 17.980 -4.015 1.00 0.00 C ATOM 251 O ILE A 196 11.780 16.968 -4.488 1.00 0.00 O ATOM 252 CB ILE A 196 12.085 19.908 -5.675 1.00 0.00 C ATOM 253 CG1 ILE A 196 10.687 19.282 -5.876 1.00 0.00 C ATOM 254 CG2 ILE A 196 12.634 20.267 -7.066 1.00 0.00 C ATOM 255 CD1 ILE A 196 10.751 18.016 -6.752 1.00 0.00 C ATOM 0 H ILE A 196 13.421 18.024 -6.769 1.00 0.00 H new ATOM 0 HA ILE A 196 13.723 19.550 -4.277 1.00 0.00 H new ATOM 0 HB ILE A 196 11.991 20.794 -5.048 1.00 0.00 H new ATOM 0 HG12 ILE A 196 10.257 19.032 -4.906 1.00 0.00 H new ATOM 0 HG13 ILE A 196 10.024 20.013 -6.340 1.00 0.00 H new ATOM 0 HG21 ILE A 196 11.932 20.928 -7.575 1.00 0.00 H new ATOM 0 HG22 ILE A 196 13.595 20.771 -6.959 1.00 0.00 H new ATOM 0 HG23 ILE A 196 12.764 19.357 -7.652 1.00 0.00 H new ATOM 0 HD11 ILE A 196 9.749 17.605 -6.871 1.00 0.00 H new ATOM 0 HD12 ILE A 196 11.157 18.271 -7.731 1.00 0.00 H new ATOM 0 HD13 ILE A 196 11.393 17.276 -6.275 1.00 0.00 H new ATOM 267 N THR A 197 12.190 18.300 -2.715 1.00 0.00 N ATOM 268 CA THR A 197 11.442 17.456 -1.782 1.00 0.00 C ATOM 269 C THR A 197 9.955 17.832 -1.877 1.00 0.00 C ATOM 270 O THR A 197 9.609 18.800 -2.556 1.00 0.00 O ATOM 271 CB THR A 197 11.982 17.699 -0.338 1.00 0.00 C ATOM 272 OG1 THR A 197 12.973 18.714 -0.399 1.00 0.00 O ATOM 273 CG2 THR A 197 12.622 16.430 0.295 1.00 0.00 C ATOM 0 H THR A 197 12.610 19.129 -2.294 1.00 0.00 H new ATOM 0 HA THR A 197 11.561 16.400 -2.026 1.00 0.00 H new ATOM 0 HB THR A 197 11.134 17.984 0.285 1.00 0.00 H new ATOM 0 HG1 THR A 197 13.860 18.302 -0.467 1.00 0.00 H new ATOM 0 HG21 THR A 197 12.978 16.664 1.298 1.00 0.00 H new ATOM 0 HG22 THR A 197 11.877 15.636 0.350 1.00 0.00 H new ATOM 0 HG23 THR A 197 13.460 16.100 -0.319 1.00 0.00 H new ATOM 281 N PRO A 198 9.075 17.118 -1.218 1.00 0.00 N ATOM 282 CA PRO A 198 7.616 17.436 -1.254 1.00 0.00 C ATOM 283 C PRO A 198 7.357 18.889 -0.854 1.00 0.00 C ATOM 284 O PRO A 198 6.403 19.514 -1.319 1.00 0.00 O ATOM 285 CB PRO A 198 7.000 16.454 -0.245 1.00 0.00 C ATOM 286 CG PRO A 198 7.965 15.316 -0.183 1.00 0.00 C ATOM 287 CD PRO A 198 9.348 15.937 -0.376 1.00 0.00 C ATOM 0 HA PRO A 198 7.186 17.332 -2.250 1.00 0.00 H new ATOM 0 HB2 PRO A 198 6.873 16.919 0.733 1.00 0.00 H new ATOM 0 HB3 PRO A 198 6.014 16.120 -0.569 1.00 0.00 H new ATOM 0 HG2 PRO A 198 7.898 14.798 0.774 1.00 0.00 H new ATOM 0 HG3 PRO A 198 7.754 14.581 -0.959 1.00 0.00 H new ATOM 0 HD2 PRO A 198 9.800 16.217 0.576 1.00 0.00 H new ATOM 0 HD3 PRO A 198 10.035 15.245 -0.864 1.00 0.00 H new ATOM 295 N GLU A 199 8.221 19.415 0.006 1.00 0.00 N ATOM 296 CA GLU A 199 8.090 20.802 0.466 1.00 0.00 C ATOM 297 C GLU A 199 8.368 21.768 -0.689 1.00 0.00 C ATOM 298 O GLU A 199 7.964 22.930 -0.650 1.00 0.00 O ATOM 299 CB GLU A 199 9.070 21.053 1.625 1.00 0.00 C ATOM 300 CG GLU A 199 8.793 22.412 2.274 1.00 0.00 C ATOM 301 CD GLU A 199 7.470 22.371 3.031 1.00 0.00 C ATOM 302 OE1 GLU A 199 6.902 21.295 3.133 1.00 0.00 O ATOM 303 OE2 GLU A 199 7.044 23.413 3.501 1.00 0.00 O ATOM 0 H GLU A 199 9.016 18.911 0.399 1.00 0.00 H new ATOM 0 HA GLU A 199 7.073 20.972 0.818 1.00 0.00 H new ATOM 0 HB2 GLU A 199 8.974 20.262 2.368 1.00 0.00 H new ATOM 0 HB3 GLU A 199 10.095 21.021 1.256 1.00 0.00 H new ATOM 0 HG2 GLU A 199 9.603 22.670 2.956 1.00 0.00 H new ATOM 0 HG3 GLU A 199 8.760 23.189 1.510 1.00 0.00 H new ATOM 310 N GLY A 200 9.053 21.279 -1.726 1.00 0.00 N ATOM 311 CA GLY A 200 9.372 22.117 -2.890 1.00 0.00 C ATOM 312 C GLY A 200 10.746 22.777 -2.729 1.00 0.00 C ATOM 313 O GLY A 200 11.164 23.555 -3.585 1.00 0.00 O ATOM 0 H GLY A 200 9.395 20.320 -1.786 1.00 0.00 H new ATOM 0 HA2 GLY A 200 9.360 21.509 -3.795 1.00 0.00 H new ATOM 0 HA3 GLY A 200 8.607 22.884 -3.011 1.00 0.00 H new ATOM 317 N GLU A 201 11.451 22.464 -1.631 1.00 0.00 N ATOM 318 CA GLU A 201 12.775 23.044 -1.394 1.00 0.00 C ATOM 319 C GLU A 201 13.846 22.203 -2.084 1.00 0.00 C ATOM 320 O GLU A 201 13.942 20.997 -1.857 1.00 0.00 O ATOM 321 CB GLU A 201 13.035 23.100 0.121 1.00 0.00 C ATOM 322 CG GLU A 201 14.408 23.717 0.424 1.00 0.00 C ATOM 323 CD GLU A 201 14.426 25.193 0.033 1.00 0.00 C ATOM 324 OE1 GLU A 201 13.369 25.719 -0.273 1.00 0.00 O ATOM 325 OE2 GLU A 201 15.498 25.775 0.047 1.00 0.00 O ATOM 0 H GLU A 201 11.130 21.823 -0.906 1.00 0.00 H new ATOM 0 HA GLU A 201 12.812 24.053 -1.805 1.00 0.00 H new ATOM 0 HB2 GLU A 201 12.254 23.686 0.606 1.00 0.00 H new ATOM 0 HB3 GLU A 201 12.984 22.095 0.539 1.00 0.00 H new ATOM 0 HG2 GLU A 201 14.635 23.612 1.485 1.00 0.00 H new ATOM 0 HG3 GLU A 201 15.184 23.180 -0.122 1.00 0.00 H new ATOM 332 N ILE A 202 14.647 22.846 -2.932 1.00 0.00 N ATOM 333 CA ILE A 202 15.700 22.134 -3.650 1.00 0.00 C ATOM 334 C ILE A 202 16.777 21.683 -2.674 1.00 0.00 C ATOM 335 O ILE A 202 17.237 22.442 -1.821 1.00 0.00 O ATOM 336 CB ILE A 202 16.255 23.024 -4.809 1.00 0.00 C ATOM 337 CG1 ILE A 202 16.437 22.198 -6.114 1.00 0.00 C ATOM 338 CG2 ILE A 202 17.604 23.657 -4.425 1.00 0.00 C ATOM 339 CD1 ILE A 202 16.353 23.117 -7.332 1.00 0.00 C ATOM 0 H ILE A 202 14.588 23.844 -3.136 1.00 0.00 H new ATOM 0 HA ILE A 202 15.296 21.234 -4.113 1.00 0.00 H new ATOM 0 HB ILE A 202 15.524 23.813 -4.983 1.00 0.00 H new ATOM 0 HG12 ILE A 202 17.400 21.688 -6.099 1.00 0.00 H new ATOM 0 HG13 ILE A 202 15.669 21.427 -6.176 1.00 0.00 H new ATOM 0 HG21 ILE A 202 17.966 24.270 -5.250 1.00 0.00 H new ATOM 0 HG22 ILE A 202 17.475 24.279 -3.539 1.00 0.00 H new ATOM 0 HG23 ILE A 202 18.328 22.870 -4.213 1.00 0.00 H new ATOM 0 HD11 ILE A 202 16.482 22.529 -8.241 1.00 0.00 H new ATOM 0 HD12 ILE A 202 15.380 23.607 -7.352 1.00 0.00 H new ATOM 0 HD13 ILE A 202 17.138 23.871 -7.274 1.00 0.00 H new ATOM 351 N TYR A 203 17.142 20.413 -2.808 1.00 0.00 N ATOM 352 CA TYR A 203 18.140 19.803 -1.940 1.00 0.00 C ATOM 353 C TYR A 203 18.810 18.640 -2.684 1.00 0.00 C ATOM 354 O TYR A 203 18.326 18.218 -3.734 1.00 0.00 O ATOM 355 CB TYR A 203 17.483 19.355 -0.610 1.00 0.00 C ATOM 356 CG TYR A 203 16.728 18.047 -0.770 1.00 0.00 C ATOM 357 CD1 TYR A 203 15.501 18.003 -1.453 1.00 0.00 C ATOM 358 CD2 TYR A 203 17.260 16.873 -0.228 1.00 0.00 C ATOM 359 CE1 TYR A 203 14.818 16.793 -1.592 1.00 0.00 C ATOM 360 CE2 TYR A 203 16.573 15.661 -0.357 1.00 0.00 C ATOM 361 CZ TYR A 203 15.351 15.620 -1.040 1.00 0.00 C ATOM 362 OH TYR A 203 14.676 14.425 -1.177 1.00 0.00 O ATOM 0 H TYR A 203 16.759 19.784 -3.514 1.00 0.00 H new ATOM 0 HA TYR A 203 18.914 20.526 -1.684 1.00 0.00 H new ATOM 0 HB2 TYR A 203 18.251 19.241 0.155 1.00 0.00 H new ATOM 0 HB3 TYR A 203 16.800 20.130 -0.262 1.00 0.00 H new ATOM 0 HD1 TYR A 203 15.085 18.907 -1.872 1.00 0.00 H new ATOM 0 HD2 TYR A 203 18.206 16.902 0.293 1.00 0.00 H new ATOM 0 HE1 TYR A 203 13.879 16.761 -2.125 1.00 0.00 H new ATOM 0 HE2 TYR A 203 16.985 14.758 0.070 1.00 0.00 H new ATOM 0 HH TYR A 203 15.183 13.711 -0.738 1.00 0.00 H new ATOM 372 N TYR A 204 19.943 18.153 -2.172 1.00 0.00 N ATOM 373 CA TYR A 204 20.689 17.075 -2.841 1.00 0.00 C ATOM 374 C TYR A 204 20.416 15.721 -2.164 1.00 0.00 C ATOM 375 O TYR A 204 20.217 15.660 -0.951 1.00 0.00 O ATOM 376 CB TYR A 204 22.194 17.430 -2.791 1.00 0.00 C ATOM 377 CG TYR A 204 22.569 18.350 -3.952 1.00 0.00 C ATOM 378 CD1 TYR A 204 21.822 19.515 -4.225 1.00 0.00 C ATOM 379 CD2 TYR A 204 23.688 18.045 -4.748 1.00 0.00 C ATOM 380 CE1 TYR A 204 22.193 20.355 -5.278 1.00 0.00 C ATOM 381 CE2 TYR A 204 24.051 18.891 -5.802 1.00 0.00 C ATOM 382 CZ TYR A 204 23.307 20.045 -6.066 1.00 0.00 C ATOM 383 OH TYR A 204 23.669 20.879 -7.104 1.00 0.00 O ATOM 0 H TYR A 204 20.364 18.482 -1.303 1.00 0.00 H new ATOM 0 HA TYR A 204 20.366 16.984 -3.878 1.00 0.00 H new ATOM 0 HB2 TYR A 204 22.427 17.917 -1.844 1.00 0.00 H new ATOM 0 HB3 TYR A 204 22.790 16.518 -2.835 1.00 0.00 H new ATOM 0 HD1 TYR A 204 20.962 19.758 -3.619 1.00 0.00 H new ATOM 0 HD2 TYR A 204 24.268 17.157 -4.545 1.00 0.00 H new ATOM 0 HE1 TYR A 204 21.618 21.246 -5.484 1.00 0.00 H new ATOM 0 HE2 TYR A 204 24.909 18.652 -6.413 1.00 0.00 H new ATOM 0 HH TYR A 204 22.952 20.901 -7.772 1.00 0.00 H new ATOM 393 N ILE A 205 20.376 14.632 -2.961 1.00 0.00 N ATOM 394 CA ILE A 205 20.092 13.298 -2.424 1.00 0.00 C ATOM 395 C ILE A 205 21.342 12.422 -2.433 1.00 0.00 C ATOM 396 O ILE A 205 21.973 12.235 -3.472 1.00 0.00 O ATOM 397 CB ILE A 205 19.027 12.598 -3.298 1.00 0.00 C ATOM 398 CG1 ILE A 205 17.957 13.617 -3.748 1.00 0.00 C ATOM 399 CG2 ILE A 205 18.377 11.458 -2.497 1.00 0.00 C ATOM 400 CD1 ILE A 205 16.663 12.898 -4.168 1.00 0.00 C ATOM 0 H ILE A 205 20.536 14.656 -3.968 1.00 0.00 H new ATOM 0 HA ILE A 205 19.739 13.425 -1.401 1.00 0.00 H new ATOM 0 HB ILE A 205 19.503 12.183 -4.186 1.00 0.00 H new ATOM 0 HG12 ILE A 205 17.745 14.312 -2.936 1.00 0.00 H new ATOM 0 HG13 ILE A 205 18.338 14.207 -4.581 1.00 0.00 H new ATOM 0 HG21 ILE A 205 17.626 10.963 -3.112 1.00 0.00 H new ATOM 0 HG22 ILE A 205 19.140 10.736 -2.206 1.00 0.00 H new ATOM 0 HG23 ILE A 205 17.904 11.865 -1.603 1.00 0.00 H new ATOM 0 HD11 ILE A 205 15.923 13.634 -4.481 1.00 0.00 H new ATOM 0 HD12 ILE A 205 16.875 12.222 -4.996 1.00 0.00 H new ATOM 0 HD13 ILE A 205 16.273 12.328 -3.325 1.00 0.00 H new ATOM 412 N ASN A 206 21.664 11.851 -1.274 1.00 0.00 N ATOM 413 CA ASN A 206 22.814 10.949 -1.165 1.00 0.00 C ATOM 414 C ASN A 206 22.311 9.513 -1.269 1.00 0.00 C ATOM 415 O ASN A 206 21.920 8.912 -0.268 1.00 0.00 O ATOM 416 CB ASN A 206 23.548 11.138 0.174 1.00 0.00 C ATOM 417 CG ASN A 206 24.840 10.327 0.172 1.00 0.00 C ATOM 418 OD1 ASN A 206 25.428 10.097 -0.884 1.00 0.00 O ATOM 419 ND2 ASN A 206 25.319 9.880 1.300 1.00 0.00 N ATOM 0 H ASN A 206 21.152 11.993 -0.403 1.00 0.00 H new ATOM 0 HA ASN A 206 23.517 11.173 -1.967 1.00 0.00 H new ATOM 0 HB2 ASN A 206 23.770 12.193 0.332 1.00 0.00 H new ATOM 0 HB3 ASN A 206 22.909 10.820 0.998 1.00 0.00 H new ATOM 0 HD21 ASN A 206 26.183 9.338 1.308 1.00 0.00 H new ATOM 0 HD22 ASN A 206 24.829 10.072 2.174 1.00 0.00 H new ATOM 426 N HIS A 207 22.301 8.970 -2.484 1.00 0.00 N ATOM 427 CA HIS A 207 21.816 7.610 -2.691 1.00 0.00 C ATOM 428 C HIS A 207 22.860 6.601 -2.226 1.00 0.00 C ATOM 429 O HIS A 207 22.810 5.426 -2.587 1.00 0.00 O ATOM 430 CB HIS A 207 21.470 7.386 -4.175 1.00 0.00 C ATOM 431 CG HIS A 207 20.079 7.896 -4.463 1.00 0.00 C ATOM 432 ND1 HIS A 207 18.971 7.064 -4.448 1.00 0.00 N ATOM 433 CD2 HIS A 207 19.603 9.147 -4.768 1.00 0.00 C ATOM 434 CE1 HIS A 207 17.894 7.816 -4.738 1.00 0.00 C ATOM 435 NE2 HIS A 207 18.223 9.094 -4.942 1.00 0.00 N ATOM 0 H HIS A 207 22.619 9.444 -3.329 1.00 0.00 H new ATOM 0 HA HIS A 207 20.911 7.467 -2.101 1.00 0.00 H new ATOM 0 HB2 HIS A 207 22.193 7.901 -4.807 1.00 0.00 H new ATOM 0 HB3 HIS A 207 21.534 6.325 -4.416 1.00 0.00 H new ATOM 0 HD2 HIS A 207 20.208 10.037 -4.859 1.00 0.00 H new ATOM 0 HE1 HIS A 207 16.886 7.433 -4.798 1.00 0.00 H new ATOM 0 HE2 HIS A 207 17.598 9.865 -5.175 1.00 0.00 H new ATOM 443 N LYS A 208 23.793 7.073 -1.403 1.00 0.00 N ATOM 444 CA LYS A 208 24.841 6.211 -0.863 1.00 0.00 C ATOM 445 C LYS A 208 24.408 5.668 0.493 1.00 0.00 C ATOM 446 O LYS A 208 25.051 4.786 1.061 1.00 0.00 O ATOM 447 CB LYS A 208 26.146 6.999 -0.711 1.00 0.00 C ATOM 448 CG LYS A 208 26.715 7.330 -2.093 1.00 0.00 C ATOM 449 CD LYS A 208 28.007 8.133 -1.932 1.00 0.00 C ATOM 450 CE LYS A 208 28.571 8.476 -3.312 1.00 0.00 C ATOM 451 NZ LYS A 208 29.812 9.286 -3.158 1.00 0.00 N ATOM 0 H LYS A 208 23.845 8.044 -1.096 1.00 0.00 H new ATOM 0 HA LYS A 208 25.007 5.381 -1.550 1.00 0.00 H new ATOM 0 HB2 LYS A 208 25.964 7.917 -0.153 1.00 0.00 H new ATOM 0 HB3 LYS A 208 26.869 6.417 -0.140 1.00 0.00 H new ATOM 0 HG2 LYS A 208 26.911 6.412 -2.647 1.00 0.00 H new ATOM 0 HG3 LYS A 208 25.988 7.902 -2.670 1.00 0.00 H new ATOM 0 HD2 LYS A 208 27.812 9.046 -1.370 1.00 0.00 H new ATOM 0 HD3 LYS A 208 28.737 7.558 -1.362 1.00 0.00 H new ATOM 0 HE2 LYS A 208 28.788 7.562 -3.865 1.00 0.00 H new ATOM 0 HE3 LYS A 208 27.832 9.031 -3.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 208 29.594 10.290 -3.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 208 30.188 9.166 -2.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 208 30.522 8.968 -3.849 1.00 0.00 H new ATOM 465 N ASN A 209 23.301 6.205 1.003 1.00 0.00 N ATOM 466 CA ASN A 209 22.771 5.776 2.294 1.00 0.00 C ATOM 467 C ASN A 209 21.307 6.189 2.428 1.00 0.00 C ATOM 468 O ASN A 209 20.711 6.064 3.498 1.00 0.00 O ATOM 469 CB ASN A 209 23.587 6.398 3.431 1.00 0.00 C ATOM 470 CG ASN A 209 23.178 5.774 4.768 1.00 0.00 C ATOM 471 OD1 ASN A 209 22.306 4.906 4.800 1.00 0.00 O ATOM 472 ND2 ASN A 209 23.750 6.163 5.883 1.00 0.00 N ATOM 0 H ASN A 209 22.756 6.935 0.544 1.00 0.00 H new ATOM 0 HA ASN A 209 22.841 4.690 2.355 1.00 0.00 H new ATOM 0 HB2 ASN A 209 24.651 6.239 3.256 1.00 0.00 H new ATOM 0 HB3 ASN A 209 23.426 7.476 3.458 1.00 0.00 H new ATOM 0 HD21 ASN A 209 23.472 5.746 6.771 1.00 0.00 H new ATOM 0 HD22 ASN A 209 24.473 6.882 5.861 1.00 0.00 H new ATOM 479 N LYS A 210 20.733 6.680 1.333 1.00 0.00 N ATOM 480 CA LYS A 210 19.337 7.113 1.338 1.00 0.00 C ATOM 481 C LYS A 210 19.117 8.181 2.407 1.00 0.00 C ATOM 482 O LYS A 210 18.265 8.032 3.282 1.00 0.00 O ATOM 483 CB LYS A 210 18.413 5.922 1.613 1.00 0.00 C ATOM 484 CG LYS A 210 18.663 4.787 0.604 1.00 0.00 C ATOM 485 CD LYS A 210 18.145 5.170 -0.790 1.00 0.00 C ATOM 486 CE LYS A 210 18.336 3.987 -1.743 1.00 0.00 C ATOM 487 NZ LYS A 210 17.824 4.355 -3.093 1.00 0.00 N ATOM 0 H LYS A 210 21.208 6.788 0.437 1.00 0.00 H new ATOM 0 HA LYS A 210 19.104 7.531 0.359 1.00 0.00 H new ATOM 0 HB2 LYS A 210 18.578 5.556 2.626 1.00 0.00 H new ATOM 0 HB3 LYS A 210 17.373 6.243 1.555 1.00 0.00 H new ATOM 0 HG2 LYS A 210 19.730 4.569 0.553 1.00 0.00 H new ATOM 0 HG3 LYS A 210 18.167 3.877 0.943 1.00 0.00 H new ATOM 0 HD2 LYS A 210 17.091 5.442 -0.737 1.00 0.00 H new ATOM 0 HD3 LYS A 210 18.681 6.043 -1.163 1.00 0.00 H new ATOM 0 HE2 LYS A 210 19.391 3.719 -1.802 1.00 0.00 H new ATOM 0 HE3 LYS A 210 17.806 3.112 -1.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 210 18.043 3.594 -3.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 210 16.794 4.491 -3.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 210 18.277 5.237 -3.407 1.00 0.00 H new ATOM 501 N THR A 211 19.892 9.263 2.321 1.00 0.00 N ATOM 502 CA THR A 211 19.788 10.370 3.275 1.00 0.00 C ATOM 503 C THR A 211 19.662 11.694 2.531 1.00 0.00 C ATOM 504 O THR A 211 19.906 11.767 1.326 1.00 0.00 O ATOM 505 CB THR A 211 21.031 10.412 4.171 1.00 0.00 C ATOM 506 OG1 THR A 211 22.166 10.745 3.385 1.00 0.00 O ATOM 507 CG2 THR A 211 21.248 9.046 4.825 1.00 0.00 C ATOM 0 H THR A 211 20.600 9.397 1.599 1.00 0.00 H new ATOM 0 HA THR A 211 18.902 10.214 3.890 1.00 0.00 H new ATOM 0 HB THR A 211 20.889 11.162 4.949 1.00 0.00 H new ATOM 0 HG1 THR A 211 22.962 10.774 3.956 1.00 0.00 H new ATOM 0 HG21 THR A 211 22.133 9.083 5.460 1.00 0.00 H new ATOM 0 HG22 THR A 211 20.378 8.790 5.429 1.00 0.00 H new ATOM 0 HG23 THR A 211 21.388 8.291 4.052 1.00 0.00 H new ATOM 515 N THR A 212 19.277 12.743 3.256 1.00 0.00 N ATOM 516 CA THR A 212 19.116 14.073 2.661 1.00 0.00 C ATOM 517 C THR A 212 20.272 14.978 3.093 1.00 0.00 C ATOM 518 O THR A 212 20.625 15.007 4.272 1.00 0.00 O ATOM 519 CB THR A 212 17.798 14.688 3.140 1.00 0.00 C ATOM 520 OG1 THR A 212 17.894 14.985 4.527 1.00 0.00 O ATOM 521 CG2 THR A 212 16.656 13.699 2.910 1.00 0.00 C ATOM 0 H THR A 212 19.071 12.700 4.254 1.00 0.00 H new ATOM 0 HA THR A 212 19.111 13.980 1.575 1.00 0.00 H new ATOM 0 HB THR A 212 17.601 15.603 2.582 1.00 0.00 H new ATOM 0 HG1 THR A 212 18.835 14.969 4.801 1.00 0.00 H new ATOM 0 HG21 THR A 212 15.719 14.139 3.252 1.00 0.00 H new ATOM 0 HG22 THR A 212 16.582 13.469 1.847 1.00 0.00 H new ATOM 0 HG23 THR A 212 16.851 12.782 3.467 1.00 0.00 H new ATOM 529 N SER A 213 20.872 15.715 2.145 1.00 0.00 N ATOM 530 CA SER A 213 21.995 16.606 2.479 1.00 0.00 C ATOM 531 C SER A 213 21.807 17.979 1.815 1.00 0.00 C ATOM 532 O SER A 213 21.729 18.067 0.589 1.00 0.00 O ATOM 533 CB SER A 213 23.302 15.981 1.985 1.00 0.00 C ATOM 534 OG SER A 213 23.396 16.144 0.576 1.00 0.00 O ATOM 0 H SER A 213 20.606 15.713 1.160 1.00 0.00 H new ATOM 0 HA SER A 213 22.030 16.738 3.560 1.00 0.00 H new ATOM 0 HB2 SER A 213 24.153 16.454 2.475 1.00 0.00 H new ATOM 0 HB3 SER A 213 23.333 14.923 2.243 1.00 0.00 H new ATOM 0 HG SER A 213 22.587 16.585 0.243 1.00 0.00 H new ATOM 540 N TRP A 214 21.734 19.051 2.617 1.00 0.00 N ATOM 541 CA TRP A 214 21.557 20.395 2.055 1.00 0.00 C ATOM 542 C TRP A 214 22.876 20.928 1.503 1.00 0.00 C ATOM 543 O TRP A 214 22.903 21.964 0.840 1.00 0.00 O ATOM 544 CB TRP A 214 21.005 21.369 3.111 1.00 0.00 C ATOM 545 CG TRP A 214 19.946 20.667 3.924 1.00 0.00 C ATOM 546 CD1 TRP A 214 20.181 19.930 5.044 1.00 0.00 C ATOM 547 CD2 TRP A 214 18.494 20.605 3.698 1.00 0.00 C ATOM 548 NE1 TRP A 214 18.979 19.436 5.516 1.00 0.00 N ATOM 549 CE2 TRP A 214 17.915 19.821 4.728 1.00 0.00 C ATOM 550 CE3 TRP A 214 17.626 21.147 2.719 1.00 0.00 C ATOM 551 CZ2 TRP A 214 16.542 19.581 4.785 1.00 0.00 C ATOM 552 CZ3 TRP A 214 16.245 20.905 2.781 1.00 0.00 C ATOM 553 CH2 TRP A 214 15.705 20.125 3.809 1.00 0.00 C ATOM 0 H TRP A 214 21.793 19.016 3.635 1.00 0.00 H new ATOM 0 HA TRP A 214 20.836 20.319 1.241 1.00 0.00 H new ATOM 0 HB2 TRP A 214 21.809 21.715 3.760 1.00 0.00 H new ATOM 0 HB3 TRP A 214 20.585 22.250 2.626 1.00 0.00 H new ATOM 0 HD1 TRP A 214 21.149 19.759 5.491 1.00 0.00 H new ATOM 0 HE1 TRP A 214 18.890 18.855 6.349 1.00 0.00 H new ATOM 0 HE3 TRP A 214 18.029 21.751 1.919 1.00 0.00 H new ATOM 0 HZ2 TRP A 214 16.129 18.978 5.580 1.00 0.00 H new ATOM 0 HZ3 TRP A 214 15.594 21.325 2.029 1.00 0.00 H new ATOM 0 HH2 TRP A 214 14.641 19.944 3.848 1.00 0.00 H new ATOM 564 N LEU A 215 23.972 20.220 1.787 1.00 0.00 N ATOM 565 CA LEU A 215 25.296 20.651 1.313 1.00 0.00 C ATOM 566 C LEU A 215 25.210 21.216 -0.111 1.00 0.00 C ATOM 567 O LEU A 215 24.405 20.755 -0.920 1.00 0.00 O ATOM 568 CB LEU A 215 26.339 19.499 1.393 1.00 0.00 C ATOM 569 CG LEU A 215 25.969 18.261 0.510 1.00 0.00 C ATOM 570 CD1 LEU A 215 26.425 18.444 -0.958 1.00 0.00 C ATOM 571 CD2 LEU A 215 26.662 17.003 1.078 1.00 0.00 C ATOM 0 H LEU A 215 23.974 19.359 2.334 1.00 0.00 H new ATOM 0 HA LEU A 215 25.638 21.446 1.976 1.00 0.00 H new ATOM 0 HB2 LEU A 215 27.313 19.879 1.083 1.00 0.00 H new ATOM 0 HB3 LEU A 215 26.437 19.179 2.430 1.00 0.00 H new ATOM 0 HG LEU A 215 24.884 18.156 0.528 1.00 0.00 H new ATOM 0 HD11 LEU A 215 26.149 17.563 -1.537 1.00 0.00 H new ATOM 0 HD12 LEU A 215 25.941 19.323 -1.383 1.00 0.00 H new ATOM 0 HD13 LEU A 215 27.507 18.575 -0.989 1.00 0.00 H new ATOM 0 HD21 LEU A 215 26.406 16.139 0.465 1.00 0.00 H new ATOM 0 HD22 LEU A 215 27.742 17.147 1.069 1.00 0.00 H new ATOM 0 HD23 LEU A 215 26.327 16.834 2.101 1.00 0.00 H new ATOM 583 N ASP A 216 26.011 22.249 -0.396 1.00 0.00 N ATOM 584 CA ASP A 216 25.982 22.885 -1.713 1.00 0.00 C ATOM 585 C ASP A 216 26.384 21.876 -2.795 1.00 0.00 C ATOM 586 O ASP A 216 26.740 20.745 -2.478 1.00 0.00 O ATOM 587 CB ASP A 216 26.923 24.108 -1.729 1.00 0.00 C ATOM 588 CG ASP A 216 27.073 24.675 -0.318 1.00 0.00 C ATOM 589 OD1 ASP A 216 27.963 24.229 0.387 1.00 0.00 O ATOM 590 OD2 ASP A 216 26.296 25.548 0.033 1.00 0.00 O ATOM 0 H ASP A 216 26.678 22.656 0.259 1.00 0.00 H new ATOM 0 HA ASP A 216 24.968 23.226 -1.922 1.00 0.00 H new ATOM 0 HB2 ASP A 216 27.899 23.820 -2.119 1.00 0.00 H new ATOM 0 HB3 ASP A 216 26.526 24.873 -2.396 1.00 0.00 H new ATOM 595 N PRO A 217 26.331 22.238 -4.058 1.00 0.00 N ATOM 596 CA PRO A 217 26.693 21.297 -5.162 1.00 0.00 C ATOM 597 C PRO A 217 28.139 20.814 -5.062 1.00 0.00 C ATOM 598 O PRO A 217 29.037 21.573 -4.699 1.00 0.00 O ATOM 599 CB PRO A 217 26.456 22.120 -6.445 1.00 0.00 C ATOM 600 CG PRO A 217 25.557 23.239 -6.030 1.00 0.00 C ATOM 601 CD PRO A 217 25.933 23.554 -4.586 1.00 0.00 C ATOM 0 HA PRO A 217 26.099 20.384 -5.132 1.00 0.00 H new ATOM 0 HB2 PRO A 217 27.395 22.498 -6.850 1.00 0.00 H new ATOM 0 HB3 PRO A 217 25.995 21.512 -7.224 1.00 0.00 H new ATOM 0 HG2 PRO A 217 25.695 24.111 -6.670 1.00 0.00 H new ATOM 0 HG3 PRO A 217 24.509 22.949 -6.108 1.00 0.00 H new ATOM 0 HD2 PRO A 217 26.747 24.276 -4.528 1.00 0.00 H new ATOM 0 HD3 PRO A 217 25.094 23.975 -4.032 1.00 0.00 H new ATOM 609 N ARG A 218 28.346 19.540 -5.380 1.00 0.00 N ATOM 610 CA ARG A 218 29.678 18.948 -5.322 1.00 0.00 C ATOM 611 C ARG A 218 30.606 19.549 -6.383 1.00 0.00 C ATOM 612 O ARG A 218 31.826 19.412 -6.293 1.00 0.00 O ATOM 613 CB ARG A 218 29.573 17.428 -5.525 1.00 0.00 C ATOM 614 CG ARG A 218 30.978 16.764 -5.481 1.00 0.00 C ATOM 615 CD ARG A 218 31.464 16.442 -6.900 1.00 0.00 C ATOM 616 NE ARG A 218 32.792 15.839 -6.852 1.00 0.00 N ATOM 617 CZ ARG A 218 33.318 15.255 -7.923 1.00 0.00 C ATOM 618 NH1 ARG A 218 32.634 15.191 -9.032 1.00 0.00 N ATOM 619 NH2 ARG A 218 34.516 14.738 -7.865 1.00 0.00 N ATOM 0 H ARG A 218 27.611 18.899 -5.680 1.00 0.00 H new ATOM 0 HA ARG A 218 30.104 19.164 -4.342 1.00 0.00 H new ATOM 0 HB2 ARG A 218 28.938 16.997 -4.751 1.00 0.00 H new ATOM 0 HB3 ARG A 218 29.096 17.217 -6.482 1.00 0.00 H new ATOM 0 HG2 ARG A 218 31.687 17.431 -4.990 1.00 0.00 H new ATOM 0 HG3 ARG A 218 30.937 15.850 -4.888 1.00 0.00 H new ATOM 0 HD2 ARG A 218 30.765 15.762 -7.386 1.00 0.00 H new ATOM 0 HD3 ARG A 218 31.491 17.353 -7.499 1.00 0.00 H new ATOM 0 HE ARG A 218 33.325 15.866 -5.983 1.00 0.00 H new ATOM 0 HH11 ARG A 218 31.696 15.589 -9.076 1.00 0.00 H new ATOM 0 HH12 ARG A 218 33.037 14.743 -9.855 1.00 0.00 H new ATOM 0 HH21 ARG A 218 35.049 14.782 -6.997 1.00 0.00 H new ATOM 0 HH22 ARG A 218 34.918 14.290 -8.688 1.00 0.00 H new ATOM 633 N LEU A 219 30.027 20.217 -7.386 1.00 0.00 N ATOM 634 CA LEU A 219 30.827 20.836 -8.459 1.00 0.00 C ATOM 635 C LEU A 219 30.865 22.355 -8.275 1.00 0.00 C ATOM 636 O LEU A 219 30.133 23.085 -8.942 1.00 0.00 O ATOM 637 CB LEU A 219 30.218 20.505 -9.844 1.00 0.00 C ATOM 638 CG LEU A 219 31.104 21.043 -10.990 1.00 0.00 C ATOM 639 CD1 LEU A 219 32.393 20.206 -11.140 1.00 0.00 C ATOM 640 CD2 LEU A 219 30.301 20.989 -12.298 1.00 0.00 C ATOM 0 H LEU A 219 29.020 20.345 -7.481 1.00 0.00 H new ATOM 0 HA LEU A 219 31.840 20.437 -8.407 1.00 0.00 H new ATOM 0 HB2 LEU A 219 30.105 19.426 -9.945 1.00 0.00 H new ATOM 0 HB3 LEU A 219 29.221 20.939 -9.918 1.00 0.00 H new ATOM 0 HG LEU A 219 31.394 22.068 -10.760 1.00 0.00 H new ATOM 0 HD11 LEU A 219 32.996 20.609 -11.954 1.00 0.00 H new ATOM 0 HD12 LEU A 219 32.963 20.247 -10.212 1.00 0.00 H new ATOM 0 HD13 LEU A 219 32.131 19.171 -11.360 1.00 0.00 H new ATOM 0 HD21 LEU A 219 30.914 21.366 -13.117 1.00 0.00 H new ATOM 0 HD22 LEU A 219 30.012 19.959 -12.505 1.00 0.00 H new ATOM 0 HD23 LEU A 219 29.406 21.604 -12.201 1.00 0.00 H new ATOM 652 N GLU A 220 31.730 22.829 -7.373 1.00 0.00 N ATOM 653 CA GLU A 220 31.859 24.266 -7.117 1.00 0.00 C ATOM 654 C GLU A 220 33.329 24.668 -7.076 1.00 0.00 C ATOM 655 O GLU A 220 33.668 25.768 -6.642 1.00 0.00 O ATOM 656 CB GLU A 220 31.198 24.632 -5.782 1.00 0.00 C ATOM 657 CG GLU A 220 29.682 24.411 -5.859 1.00 0.00 C ATOM 658 CD GLU A 220 29.062 25.341 -6.897 1.00 0.00 C ATOM 659 OE1 GLU A 220 29.693 26.331 -7.230 1.00 0.00 O ATOM 660 OE2 GLU A 220 27.966 25.048 -7.346 1.00 0.00 O ATOM 0 H GLU A 220 32.347 22.243 -6.811 1.00 0.00 H new ATOM 0 HA GLU A 220 31.361 24.801 -7.925 1.00 0.00 H new ATOM 0 HB2 GLU A 220 31.620 24.025 -4.981 1.00 0.00 H new ATOM 0 HB3 GLU A 220 31.408 25.673 -5.538 1.00 0.00 H new ATOM 0 HG2 GLU A 220 29.472 23.374 -6.119 1.00 0.00 H new ATOM 0 HG3 GLU A 220 29.231 24.593 -4.883 1.00 0.00 H new ATOM 667 N THR A 221 34.198 23.764 -7.527 1.00 0.00 N ATOM 668 CA THR A 221 35.639 24.022 -7.541 1.00 0.00 C ATOM 669 C THR A 221 36.076 24.798 -6.298 1.00 0.00 C ATOM 670 O THR A 221 36.940 25.672 -6.375 1.00 0.00 O ATOM 671 CB THR A 221 36.040 24.796 -8.812 1.00 0.00 C ATOM 672 OG1 THR A 221 37.443 25.011 -8.800 1.00 0.00 O ATOM 673 CG2 THR A 221 35.320 26.157 -8.890 1.00 0.00 C ATOM 0 H THR A 221 33.931 22.848 -7.887 1.00 0.00 H new ATOM 0 HA THR A 221 36.146 23.057 -7.538 1.00 0.00 H new ATOM 0 HB THR A 221 35.750 24.205 -9.681 1.00 0.00 H new ATOM 0 HG1 THR A 221 37.692 25.499 -7.988 1.00 0.00 H new ATOM 0 HG21 THR A 221 35.624 26.678 -9.798 1.00 0.00 H new ATOM 0 HG22 THR A 221 34.242 25.998 -8.907 1.00 0.00 H new ATOM 0 HG23 THR A 221 35.584 26.759 -8.020 1.00 0.00 H new ATOM 681 N ARG A 222 35.473 24.473 -5.159 1.00 0.00 N ATOM 682 CA ARG A 222 35.810 25.148 -3.908 1.00 0.00 C ATOM 683 C ARG A 222 35.601 26.654 -4.046 1.00 0.00 C ATOM 684 O ARG A 222 36.548 27.331 -4.411 1.00 0.00 O ATOM 685 CB ARG A 222 37.269 24.862 -3.529 1.00 0.00 C ATOM 686 CG ARG A 222 37.585 25.490 -2.167 1.00 0.00 C ATOM 687 CD ARG A 222 39.041 25.200 -1.802 1.00 0.00 C ATOM 688 NE ARG A 222 39.231 23.773 -1.575 1.00 0.00 N ATOM 689 CZ ARG A 222 40.426 23.278 -1.268 1.00 0.00 C ATOM 690 NH1 ARG A 222 41.454 24.075 -1.159 1.00 0.00 N ATOM 691 NH2 ARG A 222 40.572 21.997 -1.072 1.00 0.00 N ATOM 692 OXT ARG A 222 34.499 27.106 -3.784 1.00 0.00 O ATOM 0 H ARG A 222 34.755 23.753 -5.075 1.00 0.00 H new ATOM 0 HA ARG A 222 35.156 24.769 -3.123 1.00 0.00 H new ATOM 0 HB2 ARG A 222 37.440 23.786 -3.492 1.00 0.00 H new ATOM 0 HB3 ARG A 222 37.938 25.265 -4.290 1.00 0.00 H new ATOM 0 HG2 ARG A 222 37.414 26.566 -2.201 1.00 0.00 H new ATOM 0 HG3 ARG A 222 36.919 25.086 -1.404 1.00 0.00 H new ATOM 0 HD2 ARG A 222 39.698 25.538 -2.603 1.00 0.00 H new ATOM 0 HD3 ARG A 222 39.317 25.757 -0.907 1.00 0.00 H new ATOM 0 HE ARG A 222 38.433 23.143 -1.653 1.00 0.00 H new ATOM 0 HH11 ARG A 222 41.340 25.077 -1.309 1.00 0.00 H new ATOM 0 HH12 ARG A 222 42.371 23.695 -0.923 1.00 0.00 H new ATOM 0 HH21 ARG A 222 39.769 21.374 -1.154 1.00 0.00 H new ATOM 0 HH22 ARG A 222 41.489 21.618 -0.837 1.00 0.00 H new TER 706 ARG A 222