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 206 ASN : amide:sc= -6.08! C(o=-6.4!,f=-9.2!) USER MOD Set 1.2: A 209 ASN : amide:sc= -1.5 K(o=-6.4,f=-15!) USER MOD Set 1.3: A 211 THR OG1 : rot -59:sc= 1.2 USER MOD Set 2.1: A 194 GLN :FLIP amide:sc= -1.7! F(o=-4.2,f=-0.65!) USER MOD Set 2.2: A 204 TYR OH : rot -52:sc= 1.05 USER MOD Single : A 178 SER OG : rot 67:sc= 1.03 USER MOD Single : A 180 ASN : amide:sc= -0.0387 K(o=-0.039,f=-1.7!) USER MOD Single : A 181 SER OG : rot 66:sc= 0.187 USER MOD Single : A 182 SER OG : rot -72:sc= 1.09 USER MOD Single : A 185 SER OG : rot 180:sc= 0 USER MOD Single : A 197 THR OG1 : rot -99:sc= 0.437 USER MOD Single : A 203 TYR OH : rot 180:sc= -0.135 USER MOD Single : A 207 HIS : no HD1:sc= -1.91 X(o=-1.9,f=-1.8) USER MOD Single : A 208 LYS NZ :NH3+ -135:sc= -0.425 (180deg=-2.24!) USER MOD Single : A 210 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 212 THR OG1 : rot 31:sc= 0.167 USER MOD Single : A 213 SER OG : rot -1:sc= 0.889! USER MOD Single : A 221 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 177 24.328 6.084 -17.686 1.00 0.00 N ATOM 2 CA GLY A 177 25.417 7.064 -17.959 1.00 0.00 C ATOM 3 C GLY A 177 26.771 6.364 -17.938 1.00 0.00 C ATOM 4 O GLY A 177 27.281 6.008 -16.875 1.00 0.00 O ATOM 0 HA2 GLY A 177 25.258 7.535 -18.929 1.00 0.00 H new ATOM 0 HA3 GLY A 177 25.398 7.858 -17.212 1.00 0.00 H new ATOM 10 N SER A 178 27.352 6.181 -19.119 1.00 0.00 N ATOM 11 CA SER A 178 28.655 5.535 -19.229 1.00 0.00 C ATOM 12 C SER A 178 29.199 5.660 -20.650 1.00 0.00 C ATOM 13 O SER A 178 29.580 4.668 -21.271 1.00 0.00 O ATOM 14 CB SER A 178 28.549 4.058 -18.847 1.00 0.00 C ATOM 15 OG SER A 178 27.917 3.341 -19.900 1.00 0.00 O ATOM 0 H SER A 178 26.944 6.469 -20.009 1.00 0.00 H new ATOM 0 HA SER A 178 29.341 6.034 -18.544 1.00 0.00 H new ATOM 0 HB2 SER A 178 29.541 3.648 -18.658 1.00 0.00 H new ATOM 0 HB3 SER A 178 27.978 3.950 -17.925 1.00 0.00 H new ATOM 0 HG SER A 178 28.499 3.337 -20.688 1.00 0.00 H new ATOM 21 N PRO A 179 29.243 6.858 -21.171 1.00 0.00 N ATOM 22 CA PRO A 179 29.758 7.118 -22.548 1.00 0.00 C ATOM 23 C PRO A 179 31.254 6.813 -22.658 1.00 0.00 C ATOM 24 O PRO A 179 31.772 6.584 -23.750 1.00 0.00 O ATOM 25 CB PRO A 179 29.467 8.612 -22.776 1.00 0.00 C ATOM 26 CG PRO A 179 29.365 9.202 -21.405 1.00 0.00 C ATOM 27 CD PRO A 179 28.807 8.096 -20.508 1.00 0.00 C ATOM 0 HA PRO A 179 29.286 6.482 -23.296 1.00 0.00 H new ATOM 0 HB2 PRO A 179 30.263 9.086 -23.351 1.00 0.00 H new ATOM 0 HB3 PRO A 179 28.542 8.753 -23.336 1.00 0.00 H new ATOM 0 HG2 PRO A 179 30.340 9.536 -21.051 1.00 0.00 H new ATOM 0 HG3 PRO A 179 28.710 10.073 -21.403 1.00 0.00 H new ATOM 0 HD2 PRO A 179 29.199 8.167 -19.494 1.00 0.00 H new ATOM 0 HD3 PRO A 179 27.721 8.150 -20.434 1.00 0.00 H new ATOM 35 N ASN A 180 31.939 6.820 -21.516 1.00 0.00 N ATOM 36 CA ASN A 180 33.372 6.546 -21.494 1.00 0.00 C ATOM 37 C ASN A 180 34.113 7.508 -22.416 1.00 0.00 C ATOM 38 O ASN A 180 35.101 7.139 -23.051 1.00 0.00 O ATOM 39 CB ASN A 180 33.636 5.101 -21.926 1.00 0.00 C ATOM 40 CG ASN A 180 33.149 4.141 -20.847 1.00 0.00 C ATOM 41 OD1 ASN A 180 33.129 4.492 -19.667 1.00 0.00 O ATOM 42 ND2 ASN A 180 32.765 2.939 -21.180 1.00 0.00 N ATOM 0 H ASN A 180 31.528 7.011 -20.602 1.00 0.00 H new ATOM 0 HA ASN A 180 33.737 6.687 -20.477 1.00 0.00 H new ATOM 0 HB2 ASN A 180 33.126 4.894 -22.867 1.00 0.00 H new ATOM 0 HB3 ASN A 180 34.701 4.954 -22.102 1.00 0.00 H new ATOM 0 HD21 ASN A 180 32.447 2.288 -20.462 1.00 0.00 H new ATOM 0 HD22 ASN A 180 32.783 2.651 -22.158 1.00 0.00 H new ATOM 49 N SER A 181 33.629 8.747 -22.484 1.00 0.00 N ATOM 50 CA SER A 181 34.249 9.773 -23.331 1.00 0.00 C ATOM 51 C SER A 181 34.397 11.080 -22.561 1.00 0.00 C ATOM 52 O SER A 181 33.632 11.357 -21.637 1.00 0.00 O ATOM 53 CB SER A 181 33.393 10.012 -24.577 1.00 0.00 C ATOM 54 OG SER A 181 33.322 8.812 -25.337 1.00 0.00 O ATOM 0 H SER A 181 32.811 9.068 -21.965 1.00 0.00 H new ATOM 0 HA SER A 181 35.236 9.422 -23.630 1.00 0.00 H new ATOM 0 HB2 SER A 181 32.392 10.333 -24.288 1.00 0.00 H new ATOM 0 HB3 SER A 181 33.823 10.812 -25.179 1.00 0.00 H new ATOM 0 HG SER A 181 32.838 8.130 -24.827 1.00 0.00 H new ATOM 60 N SER A 182 35.379 11.886 -22.952 1.00 0.00 N ATOM 61 CA SER A 182 35.608 13.168 -22.296 1.00 0.00 C ATOM 62 C SER A 182 35.693 12.995 -20.780 1.00 0.00 C ATOM 63 O SER A 182 34.771 13.371 -20.056 1.00 0.00 O ATOM 64 CB SER A 182 34.465 14.129 -22.628 1.00 0.00 C ATOM 65 OG SER A 182 34.467 15.200 -21.693 1.00 0.00 O ATOM 0 H SER A 182 36.024 11.676 -23.714 1.00 0.00 H new ATOM 0 HA SER A 182 36.553 13.573 -22.658 1.00 0.00 H new ATOM 0 HB2 SER A 182 34.581 14.515 -23.641 1.00 0.00 H new ATOM 0 HB3 SER A 182 33.511 13.603 -22.595 1.00 0.00 H new ATOM 0 HG SER A 182 34.153 14.876 -20.823 1.00 0.00 H new ATOM 71 N PRO A 183 36.771 12.438 -20.286 1.00 0.00 N ATOM 72 CA PRO A 183 36.952 12.219 -18.823 1.00 0.00 C ATOM 73 C PRO A 183 37.340 13.508 -18.093 1.00 0.00 C ATOM 74 O PRO A 183 38.430 14.044 -18.294 1.00 0.00 O ATOM 75 CB PRO A 183 38.071 11.169 -18.759 1.00 0.00 C ATOM 76 CG PRO A 183 38.885 11.391 -19.998 1.00 0.00 C ATOM 77 CD PRO A 183 37.928 11.957 -21.061 1.00 0.00 C ATOM 0 HA PRO A 183 36.036 11.894 -18.330 1.00 0.00 H new ATOM 0 HB2 PRO A 183 38.677 11.293 -17.862 1.00 0.00 H new ATOM 0 HB3 PRO A 183 37.663 10.159 -18.731 1.00 0.00 H new ATOM 0 HG2 PRO A 183 39.703 12.085 -19.804 1.00 0.00 H new ATOM 0 HG3 PRO A 183 39.333 10.458 -20.339 1.00 0.00 H new ATOM 0 HD2 PRO A 183 38.393 12.765 -21.626 1.00 0.00 H new ATOM 0 HD3 PRO A 183 37.635 11.193 -21.781 1.00 0.00 H new ATOM 85 N ALA A 184 36.438 13.994 -17.239 1.00 0.00 N ATOM 86 CA ALA A 184 36.707 15.227 -16.477 1.00 0.00 C ATOM 87 C ALA A 184 35.591 15.449 -15.439 1.00 0.00 C ATOM 88 O ALA A 184 34.455 15.035 -15.666 1.00 0.00 O ATOM 89 CB ALA A 184 36.788 16.437 -17.439 1.00 0.00 C ATOM 0 H ALA A 184 35.530 13.567 -17.055 1.00 0.00 H new ATOM 0 HA ALA A 184 37.661 15.127 -15.959 1.00 0.00 H new ATOM 0 HB1 ALA A 184 36.987 17.344 -16.867 1.00 0.00 H new ATOM 0 HB2 ALA A 184 37.592 16.277 -18.158 1.00 0.00 H new ATOM 0 HB3 ALA A 184 35.842 16.543 -17.970 1.00 0.00 H new ATOM 95 N SER A 185 35.897 16.100 -14.306 1.00 0.00 N ATOM 96 CA SER A 185 34.879 16.340 -13.291 1.00 0.00 C ATOM 97 C SER A 185 33.859 17.362 -13.787 1.00 0.00 C ATOM 98 O SER A 185 34.199 18.285 -14.525 1.00 0.00 O ATOM 99 CB SER A 185 35.533 16.844 -12.006 1.00 0.00 C ATOM 100 OG SER A 185 36.658 16.029 -11.704 1.00 0.00 O ATOM 0 H SER A 185 36.824 16.460 -14.079 1.00 0.00 H new ATOM 0 HA SER A 185 34.363 15.401 -13.089 1.00 0.00 H new ATOM 0 HB2 SER A 185 35.842 17.882 -12.124 1.00 0.00 H new ATOM 0 HB3 SER A 185 34.817 16.816 -11.184 1.00 0.00 H new ATOM 0 HG SER A 185 37.083 16.349 -10.881 1.00 0.00 H new ATOM 106 N GLY A 186 32.606 17.183 -13.379 1.00 0.00 N ATOM 107 CA GLY A 186 31.534 18.094 -13.793 1.00 0.00 C ATOM 108 C GLY A 186 30.186 17.380 -13.792 1.00 0.00 C ATOM 109 O GLY A 186 29.196 17.906 -13.285 1.00 0.00 O ATOM 0 H GLY A 186 32.306 16.424 -12.768 1.00 0.00 H new ATOM 0 HA2 GLY A 186 31.498 18.950 -13.119 1.00 0.00 H new ATOM 0 HA3 GLY A 186 31.745 18.482 -14.790 1.00 0.00 H new ATOM 113 N PRO A 187 30.136 16.195 -14.345 1.00 0.00 N ATOM 114 CA PRO A 187 28.884 15.379 -14.415 1.00 0.00 C ATOM 115 C PRO A 187 28.292 15.109 -13.030 1.00 0.00 C ATOM 116 O PRO A 187 28.793 15.611 -12.023 1.00 0.00 O ATOM 117 CB PRO A 187 29.342 14.072 -15.099 1.00 0.00 C ATOM 118 CG PRO A 187 30.598 14.432 -15.824 1.00 0.00 C ATOM 119 CD PRO A 187 31.273 15.498 -14.968 1.00 0.00 C ATOM 0 HA PRO A 187 28.088 15.888 -14.958 1.00 0.00 H new ATOM 0 HB2 PRO A 187 29.521 13.285 -14.366 1.00 0.00 H new ATOM 0 HB3 PRO A 187 28.583 13.700 -15.787 1.00 0.00 H new ATOM 0 HG2 PRO A 187 31.243 13.562 -15.947 1.00 0.00 H new ATOM 0 HG3 PRO A 187 30.380 14.811 -16.822 1.00 0.00 H new ATOM 0 HD2 PRO A 187 31.934 15.057 -14.222 1.00 0.00 H new ATOM 0 HD3 PRO A 187 31.879 16.174 -15.570 1.00 0.00 H new ATOM 127 N LEU A 188 27.237 14.294 -12.986 1.00 0.00 N ATOM 128 CA LEU A 188 26.588 13.937 -11.718 1.00 0.00 C ATOM 129 C LEU A 188 26.645 12.414 -11.527 1.00 0.00 C ATOM 130 O LEU A 188 25.740 11.705 -11.965 1.00 0.00 O ATOM 131 CB LEU A 188 25.098 14.388 -11.705 1.00 0.00 C ATOM 132 CG LEU A 188 24.967 15.885 -11.332 1.00 0.00 C ATOM 133 CD1 LEU A 188 25.204 16.784 -12.555 1.00 0.00 C ATOM 134 CD2 LEU A 188 23.557 16.153 -10.791 1.00 0.00 C ATOM 0 H LEU A 188 26.813 13.868 -13.810 1.00 0.00 H new ATOM 0 HA LEU A 188 27.116 14.444 -10.910 1.00 0.00 H new ATOM 0 HB2 LEU A 188 24.655 14.215 -12.686 1.00 0.00 H new ATOM 0 HB3 LEU A 188 24.539 13.783 -10.991 1.00 0.00 H new ATOM 0 HG LEU A 188 25.718 16.114 -10.576 1.00 0.00 H new ATOM 0 HD11 LEU A 188 25.106 17.829 -12.263 1.00 0.00 H new ATOM 0 HD12 LEU A 188 26.206 16.609 -12.946 1.00 0.00 H new ATOM 0 HD13 LEU A 188 24.468 16.552 -13.325 1.00 0.00 H new ATOM 0 HD21 LEU A 188 23.462 17.206 -10.528 1.00 0.00 H new ATOM 0 HD22 LEU A 188 22.821 15.902 -11.555 1.00 0.00 H new ATOM 0 HD23 LEU A 188 23.385 15.541 -9.906 1.00 0.00 H new ATOM 146 N PRO A 189 27.664 11.899 -10.874 1.00 0.00 N ATOM 147 CA PRO A 189 27.790 10.429 -10.620 1.00 0.00 C ATOM 148 C PRO A 189 26.617 9.896 -9.800 1.00 0.00 C ATOM 149 O PRO A 189 26.052 10.613 -8.974 1.00 0.00 O ATOM 150 CB PRO A 189 29.119 10.290 -9.844 1.00 0.00 C ATOM 151 CG PRO A 189 29.867 11.559 -10.107 1.00 0.00 C ATOM 152 CD PRO A 189 28.809 12.640 -10.314 1.00 0.00 C ATOM 0 HA PRO A 189 27.782 9.852 -11.545 1.00 0.00 H new ATOM 0 HB2 PRO A 189 28.939 10.154 -8.778 1.00 0.00 H new ATOM 0 HB3 PRO A 189 29.684 9.423 -10.185 1.00 0.00 H new ATOM 0 HG2 PRO A 189 30.519 11.807 -9.270 1.00 0.00 H new ATOM 0 HG3 PRO A 189 30.502 11.462 -10.988 1.00 0.00 H new ATOM 0 HD2 PRO A 189 28.549 13.132 -9.377 1.00 0.00 H new ATOM 0 HD3 PRO A 189 29.157 13.416 -10.996 1.00 0.00 H new ATOM 160 N GLU A 190 26.259 8.635 -10.024 1.00 0.00 N ATOM 161 CA GLU A 190 25.153 8.037 -9.272 1.00 0.00 C ATOM 162 C GLU A 190 25.454 8.145 -7.779 1.00 0.00 C ATOM 163 O GLU A 190 26.602 7.974 -7.365 1.00 0.00 O ATOM 164 CB GLU A 190 24.945 6.554 -9.638 1.00 0.00 C ATOM 165 CG GLU A 190 24.349 6.418 -11.050 1.00 0.00 C ATOM 166 CD GLU A 190 25.444 6.563 -12.103 1.00 0.00 C ATOM 167 OE1 GLU A 190 26.567 6.848 -11.727 1.00 0.00 O ATOM 168 OE2 GLU A 190 25.138 6.402 -13.273 1.00 0.00 O ATOM 0 H GLU A 190 26.704 8.017 -10.703 1.00 0.00 H new ATOM 0 HA GLU A 190 24.240 8.576 -9.526 1.00 0.00 H new ATOM 0 HB2 GLU A 190 25.897 6.025 -9.588 1.00 0.00 H new ATOM 0 HB3 GLU A 190 24.281 6.085 -8.912 1.00 0.00 H new ATOM 0 HG2 GLU A 190 23.861 5.449 -11.154 1.00 0.00 H new ATOM 0 HG3 GLU A 190 23.584 7.179 -11.204 1.00 0.00 H new ATOM 175 N GLY A 191 24.434 8.438 -6.966 1.00 0.00 N ATOM 176 CA GLY A 191 24.637 8.575 -5.516 1.00 0.00 C ATOM 177 C GLY A 191 24.598 10.040 -5.108 1.00 0.00 C ATOM 178 O GLY A 191 24.749 10.372 -3.933 1.00 0.00 O ATOM 0 H GLY A 191 23.474 8.583 -7.278 1.00 0.00 H new ATOM 0 HA2 GLY A 191 23.865 8.022 -4.981 1.00 0.00 H new ATOM 0 HA3 GLY A 191 25.595 8.138 -5.234 1.00 0.00 H new ATOM 182 N TRP A 192 24.385 10.908 -6.092 1.00 0.00 N ATOM 183 CA TRP A 192 24.324 12.342 -5.848 1.00 0.00 C ATOM 184 C TRP A 192 23.548 13.035 -6.963 1.00 0.00 C ATOM 185 O TRP A 192 24.141 13.622 -7.869 1.00 0.00 O ATOM 186 CB TRP A 192 25.736 12.925 -5.778 1.00 0.00 C ATOM 187 CG TRP A 192 26.420 12.442 -4.540 1.00 0.00 C ATOM 188 CD1 TRP A 192 27.415 11.524 -4.506 1.00 0.00 C ATOM 189 CD2 TRP A 192 26.183 12.838 -3.157 1.00 0.00 C ATOM 190 NE1 TRP A 192 27.796 11.326 -3.191 1.00 0.00 N ATOM 191 CE2 TRP A 192 27.069 12.117 -2.323 1.00 0.00 C ATOM 192 CE3 TRP A 192 25.294 13.746 -2.553 1.00 0.00 C ATOM 193 CZ2 TRP A 192 27.073 12.294 -0.938 1.00 0.00 C ATOM 194 CZ3 TRP A 192 25.298 13.924 -1.161 1.00 0.00 C ATOM 195 CH2 TRP A 192 26.186 13.200 -0.354 1.00 0.00 C ATOM 0 H TRP A 192 24.252 10.641 -7.067 1.00 0.00 H new ATOM 0 HA TRP A 192 23.816 12.508 -4.898 1.00 0.00 H new ATOM 0 HB2 TRP A 192 26.306 12.629 -6.659 1.00 0.00 H new ATOM 0 HB3 TRP A 192 25.691 14.014 -5.779 1.00 0.00 H new ATOM 0 HD1 TRP A 192 27.841 11.028 -5.365 1.00 0.00 H new ATOM 0 HE1 TRP A 192 28.525 10.675 -2.898 1.00 0.00 H new ATOM 0 HE3 TRP A 192 24.604 14.309 -3.164 1.00 0.00 H new ATOM 0 HZ2 TRP A 192 27.759 11.733 -0.321 1.00 0.00 H new ATOM 0 HZ3 TRP A 192 24.612 14.624 -0.708 1.00 0.00 H new ATOM 0 HH2 TRP A 192 26.184 13.343 0.717 1.00 0.00 H new ATOM 206 N GLU A 193 22.218 12.971 -6.888 1.00 0.00 N ATOM 207 CA GLU A 193 21.354 13.606 -7.900 1.00 0.00 C ATOM 208 C GLU A 193 20.512 14.708 -7.252 1.00 0.00 C ATOM 209 O GLU A 193 19.771 14.457 -6.301 1.00 0.00 O ATOM 210 CB GLU A 193 20.441 12.559 -8.562 1.00 0.00 C ATOM 211 CG GLU A 193 19.620 13.210 -9.677 1.00 0.00 C ATOM 212 CD GLU A 193 18.753 12.155 -10.355 1.00 0.00 C ATOM 213 OE1 GLU A 193 18.654 11.065 -9.818 1.00 0.00 O ATOM 214 OE2 GLU A 193 18.197 12.455 -11.399 1.00 0.00 O ATOM 0 H GLU A 193 21.712 12.490 -6.144 1.00 0.00 H new ATOM 0 HA GLU A 193 21.986 14.049 -8.670 1.00 0.00 H new ATOM 0 HB2 GLU A 193 21.042 11.746 -8.969 1.00 0.00 H new ATOM 0 HB3 GLU A 193 19.776 12.122 -7.817 1.00 0.00 H new ATOM 0 HG2 GLU A 193 18.993 14.002 -9.266 1.00 0.00 H new ATOM 0 HG3 GLU A 193 20.283 13.675 -10.407 1.00 0.00 H new ATOM 221 N GLN A 194 20.639 15.931 -7.768 1.00 0.00 N ATOM 222 CA GLN A 194 19.893 17.069 -7.222 1.00 0.00 C ATOM 223 C GLN A 194 18.418 16.975 -7.579 1.00 0.00 C ATOM 224 O GLN A 194 18.060 16.673 -8.717 1.00 0.00 O ATOM 225 CB GLN A 194 20.480 18.384 -7.745 1.00 0.00 C ATOM 226 CG GLN A 194 19.740 19.579 -7.133 1.00 0.00 C ATOM 227 CD GLN A 194 20.324 20.882 -7.663 1.00 0.00 C ATOM 228 OE1 GLN A 194 21.516 20.884 -8.193 1.00 0.00 O flip ATOM 229 NE2 GLN A 194 19.682 21.929 -7.582 1.00 0.00 N flip ATOM 0 H GLN A 194 21.245 16.160 -8.556 1.00 0.00 H new ATOM 0 HA GLN A 194 19.982 17.046 -6.136 1.00 0.00 H new ATOM 0 HB2 GLN A 194 21.540 18.440 -7.499 1.00 0.00 H new ATOM 0 HB3 GLN A 194 20.403 18.418 -8.832 1.00 0.00 H new ATOM 0 HG2 GLN A 194 18.679 19.522 -7.374 1.00 0.00 H new ATOM 0 HG3 GLN A 194 19.822 19.550 -6.046 1.00 0.00 H new ATOM 0 HE21 GLN A 194 18.750 21.925 -7.167 1.00 0.00 H new ATOM 0 HE22 GLN A 194 20.082 22.801 -7.930 1.00 0.00 H new ATOM 238 N ALA A 195 17.563 17.238 -6.594 1.00 0.00 N ATOM 239 CA ALA A 195 16.122 17.179 -6.821 1.00 0.00 C ATOM 240 C ALA A 195 15.354 17.834 -5.674 1.00 0.00 C ATOM 241 O ALA A 195 15.919 18.135 -4.624 1.00 0.00 O ATOM 242 CB ALA A 195 15.675 15.721 -6.995 1.00 0.00 C ATOM 0 H ALA A 195 17.837 17.490 -5.645 1.00 0.00 H new ATOM 0 HA ALA A 195 15.900 17.732 -7.733 1.00 0.00 H new ATOM 0 HB1 ALA A 195 14.599 15.688 -7.164 1.00 0.00 H new ATOM 0 HB2 ALA A 195 16.190 15.282 -7.850 1.00 0.00 H new ATOM 0 HB3 ALA A 195 15.919 15.156 -6.095 1.00 0.00 H new ATOM 248 N ILE A 196 14.064 18.081 -5.903 1.00 0.00 N ATOM 249 CA ILE A 196 13.215 18.740 -4.906 1.00 0.00 C ATOM 250 C ILE A 196 12.516 17.730 -3.971 1.00 0.00 C ATOM 251 O ILE A 196 12.037 16.688 -4.421 1.00 0.00 O ATOM 252 CB ILE A 196 12.150 19.618 -5.638 1.00 0.00 C ATOM 253 CG1 ILE A 196 10.791 18.897 -5.802 1.00 0.00 C ATOM 254 CG2 ILE A 196 12.639 20.006 -7.045 1.00 0.00 C ATOM 255 CD1 ILE A 196 10.922 17.613 -6.645 1.00 0.00 C ATOM 0 H ILE A 196 13.583 17.836 -6.768 1.00 0.00 H new ATOM 0 HA ILE A 196 13.854 19.364 -4.281 1.00 0.00 H new ATOM 0 HB ILE A 196 12.013 20.499 -5.012 1.00 0.00 H new ATOM 0 HG12 ILE A 196 10.391 18.647 -4.819 1.00 0.00 H new ATOM 0 HG13 ILE A 196 10.077 19.571 -6.275 1.00 0.00 H new ATOM 0 HG21 ILE A 196 11.883 20.617 -7.537 1.00 0.00 H new ATOM 0 HG22 ILE A 196 13.567 20.572 -6.964 1.00 0.00 H new ATOM 0 HG23 ILE A 196 12.814 19.104 -7.631 1.00 0.00 H new ATOM 0 HD11 ILE A 196 9.946 17.137 -6.736 1.00 0.00 H new ATOM 0 HD12 ILE A 196 11.297 17.866 -7.637 1.00 0.00 H new ATOM 0 HD13 ILE A 196 11.616 16.928 -6.159 1.00 0.00 H new ATOM 267 N THR A 197 12.418 18.070 -2.676 1.00 0.00 N ATOM 268 CA THR A 197 11.724 17.207 -1.718 1.00 0.00 C ATOM 269 C THR A 197 10.214 17.457 -1.874 1.00 0.00 C ATOM 270 O THR A 197 9.818 18.390 -2.570 1.00 0.00 O ATOM 271 CB THR A 197 12.195 17.570 -0.277 1.00 0.00 C ATOM 272 OG1 THR A 197 13.290 18.469 -0.378 1.00 0.00 O ATOM 273 CG2 THR A 197 12.656 16.332 0.540 1.00 0.00 C ATOM 0 H THR A 197 12.806 18.925 -2.276 1.00 0.00 H new ATOM 0 HA THR A 197 11.943 16.155 -1.898 1.00 0.00 H new ATOM 0 HB THR A 197 11.345 18.011 0.244 1.00 0.00 H new ATOM 0 HG1 THR A 197 14.130 17.975 -0.274 1.00 0.00 H new ATOM 0 HG21 THR A 197 12.972 16.649 1.534 1.00 0.00 H new ATOM 0 HG22 THR A 197 11.830 15.627 0.630 1.00 0.00 H new ATOM 0 HG23 THR A 197 13.490 15.850 0.031 1.00 0.00 H new ATOM 281 N PRO A 198 9.365 16.685 -1.242 1.00 0.00 N ATOM 282 CA PRO A 198 7.891 16.903 -1.343 1.00 0.00 C ATOM 283 C PRO A 198 7.517 18.352 -1.018 1.00 0.00 C ATOM 284 O PRO A 198 6.522 18.877 -1.515 1.00 0.00 O ATOM 285 CB PRO A 198 7.306 15.941 -0.298 1.00 0.00 C ATOM 286 CG PRO A 198 8.328 14.862 -0.152 1.00 0.00 C ATOM 287 CD PRO A 198 9.688 15.529 -0.389 1.00 0.00 C ATOM 0 HA PRO A 198 7.512 16.721 -2.349 1.00 0.00 H new ATOM 0 HB2 PRO A 198 7.129 16.448 0.650 1.00 0.00 H new ATOM 0 HB3 PRO A 198 6.349 15.536 -0.626 1.00 0.00 H new ATOM 0 HG2 PRO A 198 8.282 14.413 0.840 1.00 0.00 H new ATOM 0 HG3 PRO A 198 8.156 14.062 -0.872 1.00 0.00 H new ATOM 0 HD2 PRO A 198 10.151 15.839 0.548 1.00 0.00 H new ATOM 0 HD3 PRO A 198 10.386 14.851 -0.880 1.00 0.00 H new ATOM 295 N GLU A 199 8.322 18.983 -0.169 1.00 0.00 N ATOM 296 CA GLU A 199 8.068 20.372 0.229 1.00 0.00 C ATOM 297 C GLU A 199 8.350 21.335 -0.926 1.00 0.00 C ATOM 298 O GLU A 199 7.898 22.479 -0.913 1.00 0.00 O ATOM 299 CB GLU A 199 8.931 20.726 1.447 1.00 0.00 C ATOM 300 CG GLU A 199 8.593 22.137 1.938 1.00 0.00 C ATOM 301 CD GLU A 199 9.373 22.441 3.213 1.00 0.00 C ATOM 302 OE1 GLU A 199 10.280 21.687 3.523 1.00 0.00 O ATOM 303 OE2 GLU A 199 9.046 23.420 3.865 1.00 0.00 O ATOM 0 H GLU A 199 9.149 18.564 0.256 1.00 0.00 H new ATOM 0 HA GLU A 199 7.016 20.471 0.495 1.00 0.00 H new ATOM 0 HB2 GLU A 199 8.761 20.004 2.246 1.00 0.00 H new ATOM 0 HB3 GLU A 199 9.987 20.667 1.184 1.00 0.00 H new ATOM 0 HG2 GLU A 199 8.838 22.868 1.168 1.00 0.00 H new ATOM 0 HG3 GLU A 199 7.523 22.220 2.127 1.00 0.00 H new ATOM 310 N GLY A 200 9.098 20.869 -1.927 1.00 0.00 N ATOM 311 CA GLY A 200 9.425 21.715 -3.083 1.00 0.00 C ATOM 312 C GLY A 200 10.758 22.443 -2.869 1.00 0.00 C ATOM 313 O GLY A 200 11.194 23.210 -3.727 1.00 0.00 O ATOM 0 H GLY A 200 9.485 19.926 -1.965 1.00 0.00 H new ATOM 0 HA2 GLY A 200 9.481 21.102 -3.983 1.00 0.00 H new ATOM 0 HA3 GLY A 200 8.630 22.443 -3.242 1.00 0.00 H new ATOM 317 N GLU A 201 11.408 22.199 -1.723 1.00 0.00 N ATOM 318 CA GLU A 201 12.688 22.844 -1.432 1.00 0.00 C ATOM 319 C GLU A 201 13.821 22.087 -2.124 1.00 0.00 C ATOM 320 O GLU A 201 14.013 20.894 -1.889 1.00 0.00 O ATOM 321 CB GLU A 201 12.907 22.863 0.087 1.00 0.00 C ATOM 322 CG GLU A 201 14.206 23.595 0.434 1.00 0.00 C ATOM 323 CD GLU A 201 14.355 23.711 1.947 1.00 0.00 C ATOM 324 OE1 GLU A 201 13.363 23.539 2.636 1.00 0.00 O ATOM 325 OE2 GLU A 201 15.460 23.965 2.394 1.00 0.00 O ATOM 0 H GLU A 201 11.072 21.569 -0.995 1.00 0.00 H new ATOM 0 HA GLU A 201 12.678 23.868 -1.806 1.00 0.00 H new ATOM 0 HB2 GLU A 201 12.065 23.354 0.575 1.00 0.00 H new ATOM 0 HB3 GLU A 201 12.945 21.842 0.467 1.00 0.00 H new ATOM 0 HG2 GLU A 201 15.058 23.057 0.017 1.00 0.00 H new ATOM 0 HG3 GLU A 201 14.204 24.588 -0.016 1.00 0.00 H new ATOM 332 N ILE A 202 14.555 22.775 -3.001 1.00 0.00 N ATOM 333 CA ILE A 202 15.643 22.131 -3.728 1.00 0.00 C ATOM 334 C ILE A 202 16.767 21.774 -2.767 1.00 0.00 C ATOM 335 O ILE A 202 17.192 22.581 -1.944 1.00 0.00 O ATOM 336 CB ILE A 202 16.115 23.040 -4.908 1.00 0.00 C ATOM 337 CG1 ILE A 202 16.339 22.208 -6.202 1.00 0.00 C ATOM 338 CG2 ILE A 202 17.420 23.777 -4.554 1.00 0.00 C ATOM 339 CD1 ILE A 202 16.200 23.107 -7.430 1.00 0.00 C ATOM 0 H ILE A 202 14.417 23.762 -3.221 1.00 0.00 H new ATOM 0 HA ILE A 202 15.294 21.198 -4.171 1.00 0.00 H new ATOM 0 HB ILE A 202 15.326 23.771 -5.083 1.00 0.00 H new ATOM 0 HG12 ILE A 202 17.329 21.752 -6.185 1.00 0.00 H new ATOM 0 HG13 ILE A 202 15.615 21.395 -6.252 1.00 0.00 H new ATOM 0 HG21 ILE A 202 17.724 24.402 -5.394 1.00 0.00 H new ATOM 0 HG22 ILE A 202 17.258 24.403 -3.676 1.00 0.00 H new ATOM 0 HG23 ILE A 202 18.203 23.049 -4.341 1.00 0.00 H new ATOM 0 HD11 ILE A 202 16.358 22.517 -8.333 1.00 0.00 H new ATOM 0 HD12 ILE A 202 15.201 23.542 -7.451 1.00 0.00 H new ATOM 0 HD13 ILE A 202 16.942 23.904 -7.383 1.00 0.00 H new ATOM 351 N TYR A 203 17.217 20.532 -2.888 1.00 0.00 N ATOM 352 CA TYR A 203 18.270 20.005 -2.035 1.00 0.00 C ATOM 353 C TYR A 203 18.945 18.827 -2.752 1.00 0.00 C ATOM 354 O TYR A 203 18.449 18.368 -3.781 1.00 0.00 O ATOM 355 CB TYR A 203 17.678 19.608 -0.662 1.00 0.00 C ATOM 356 CG TYR A 203 17.006 18.247 -0.715 1.00 0.00 C ATOM 357 CD1 TYR A 203 15.779 18.076 -1.382 1.00 0.00 C ATOM 358 CD2 TYR A 203 17.610 17.152 -0.095 1.00 0.00 C ATOM 359 CE1 TYR A 203 15.172 16.818 -1.425 1.00 0.00 C ATOM 360 CE2 TYR A 203 17.004 15.895 -0.128 1.00 0.00 C ATOM 361 CZ TYR A 203 15.785 15.724 -0.796 1.00 0.00 C ATOM 362 OH TYR A 203 15.191 14.478 -0.839 1.00 0.00 O ATOM 0 H TYR A 203 16.864 19.867 -3.576 1.00 0.00 H new ATOM 0 HA TYR A 203 19.032 20.761 -1.845 1.00 0.00 H new ATOM 0 HB2 TYR A 203 18.471 19.594 0.086 1.00 0.00 H new ATOM 0 HB3 TYR A 203 16.954 20.360 -0.346 1.00 0.00 H new ATOM 0 HD1 TYR A 203 15.305 18.919 -1.862 1.00 0.00 H new ATOM 0 HD2 TYR A 203 18.554 17.278 0.414 1.00 0.00 H new ATOM 0 HE1 TYR A 203 14.233 16.688 -1.942 1.00 0.00 H new ATOM 0 HE2 TYR A 203 17.475 15.055 0.361 1.00 0.00 H new ATOM 0 HH TYR A 203 15.748 13.833 -0.355 1.00 0.00 H new ATOM 372 N TYR A 204 20.086 18.358 -2.244 1.00 0.00 N ATOM 373 CA TYR A 204 20.820 17.260 -2.896 1.00 0.00 C ATOM 374 C TYR A 204 20.491 15.902 -2.240 1.00 0.00 C ATOM 375 O TYR A 204 20.305 15.825 -1.027 1.00 0.00 O ATOM 376 CB TYR A 204 22.331 17.578 -2.814 1.00 0.00 C ATOM 377 CG TYR A 204 22.760 18.483 -3.967 1.00 0.00 C ATOM 378 CD1 TYR A 204 22.020 19.638 -4.301 1.00 0.00 C ATOM 379 CD2 TYR A 204 23.918 18.170 -4.695 1.00 0.00 C ATOM 380 CE1 TYR A 204 22.440 20.461 -5.348 1.00 0.00 C ATOM 381 CE2 TYR A 204 24.332 19.000 -5.744 1.00 0.00 C ATOM 382 CZ TYR A 204 23.597 20.144 -6.069 1.00 0.00 C ATOM 383 OH TYR A 204 24.013 20.961 -7.101 1.00 0.00 O ATOM 0 H TYR A 204 20.522 18.713 -1.393 1.00 0.00 H new ATOM 0 HA TYR A 204 20.519 17.179 -3.940 1.00 0.00 H new ATOM 0 HB2 TYR A 204 22.554 18.063 -1.863 1.00 0.00 H new ATOM 0 HB3 TYR A 204 22.904 16.651 -2.841 1.00 0.00 H new ATOM 0 HD1 TYR A 204 21.127 19.886 -3.746 1.00 0.00 H new ATOM 0 HD2 TYR A 204 24.490 17.289 -4.446 1.00 0.00 H new ATOM 0 HE1 TYR A 204 21.871 21.343 -5.602 1.00 0.00 H new ATOM 0 HE2 TYR A 204 25.222 18.756 -6.304 1.00 0.00 H new ATOM 0 HH TYR A 204 23.268 21.111 -7.720 1.00 0.00 H new ATOM 393 N ILE A 205 20.391 14.831 -3.059 1.00 0.00 N ATOM 394 CA ILE A 205 20.047 13.494 -2.539 1.00 0.00 C ATOM 395 C ILE A 205 21.243 12.551 -2.591 1.00 0.00 C ATOM 396 O ILE A 205 21.874 12.383 -3.632 1.00 0.00 O ATOM 397 CB ILE A 205 18.931 12.855 -3.395 1.00 0.00 C ATOM 398 CG1 ILE A 205 17.719 13.797 -3.502 1.00 0.00 C ATOM 399 CG2 ILE A 205 18.488 11.545 -2.739 1.00 0.00 C ATOM 400 CD1 ILE A 205 16.736 13.276 -4.561 1.00 0.00 C ATOM 0 H ILE A 205 20.542 14.867 -4.067 1.00 0.00 H new ATOM 0 HA ILE A 205 19.723 13.632 -1.508 1.00 0.00 H new ATOM 0 HB ILE A 205 19.320 12.669 -4.396 1.00 0.00 H new ATOM 0 HG12 ILE A 205 17.219 13.870 -2.536 1.00 0.00 H new ATOM 0 HG13 ILE A 205 18.051 14.801 -3.766 1.00 0.00 H new ATOM 0 HG21 ILE A 205 17.700 11.087 -3.337 1.00 0.00 H new ATOM 0 HG22 ILE A 205 19.337 10.865 -2.675 1.00 0.00 H new ATOM 0 HG23 ILE A 205 18.111 11.749 -1.737 1.00 0.00 H new ATOM 0 HD11 ILE A 205 15.882 13.950 -4.628 1.00 0.00 H new ATOM 0 HD12 ILE A 205 17.236 13.226 -5.528 1.00 0.00 H new ATOM 0 HD13 ILE A 205 16.391 12.281 -4.279 1.00 0.00 H new ATOM 412 N ASN A 206 21.513 11.902 -1.458 1.00 0.00 N ATOM 413 CA ASN A 206 22.604 10.927 -1.365 1.00 0.00 C ATOM 414 C ASN A 206 22.002 9.525 -1.312 1.00 0.00 C ATOM 415 O ASN A 206 21.471 9.116 -0.278 1.00 0.00 O ATOM 416 CB ASN A 206 23.447 11.168 -0.102 1.00 0.00 C ATOM 417 CG ASN A 206 24.753 10.385 -0.191 1.00 0.00 C ATOM 418 OD1 ASN A 206 25.354 10.294 -1.262 1.00 0.00 O ATOM 419 ND2 ASN A 206 25.228 9.811 0.879 1.00 0.00 N ATOM 0 H ASN A 206 20.992 12.033 -0.591 1.00 0.00 H new ATOM 0 HA ASN A 206 23.252 11.033 -2.235 1.00 0.00 H new ATOM 0 HB2 ASN A 206 23.658 12.232 0.007 1.00 0.00 H new ATOM 0 HB3 ASN A 206 22.889 10.861 0.782 1.00 0.00 H new ATOM 0 HD21 ASN A 206 26.100 9.284 0.831 1.00 0.00 H new ATOM 0 HD22 ASN A 206 24.727 9.889 1.764 1.00 0.00 H new ATOM 426 N HIS A 207 22.065 8.787 -2.422 1.00 0.00 N ATOM 427 CA HIS A 207 21.496 7.436 -2.451 1.00 0.00 C ATOM 428 C HIS A 207 22.531 6.419 -1.988 1.00 0.00 C ATOM 429 O HIS A 207 22.349 5.214 -2.164 1.00 0.00 O ATOM 430 CB HIS A 207 21.026 7.072 -3.863 1.00 0.00 C ATOM 431 CG HIS A 207 19.955 8.028 -4.310 1.00 0.00 C ATOM 432 ND1 HIS A 207 18.634 7.910 -3.907 1.00 0.00 N ATOM 433 CD2 HIS A 207 20.000 9.129 -5.129 1.00 0.00 C ATOM 434 CE1 HIS A 207 17.944 8.913 -4.481 1.00 0.00 C ATOM 435 NE2 HIS A 207 18.730 9.686 -5.236 1.00 0.00 N ATOM 0 H HIS A 207 22.494 9.092 -3.296 1.00 0.00 H new ATOM 0 HA HIS A 207 20.639 7.418 -1.778 1.00 0.00 H new ATOM 0 HB2 HIS A 207 21.867 7.106 -4.555 1.00 0.00 H new ATOM 0 HB3 HIS A 207 20.643 6.052 -3.876 1.00 0.00 H new ATOM 0 HD2 HIS A 207 20.887 9.506 -5.616 1.00 0.00 H new ATOM 0 HE1 HIS A 207 16.884 9.073 -4.348 1.00 0.00 H new ATOM 0 HE2 HIS A 207 18.457 10.508 -5.775 1.00 0.00 H new ATOM 443 N LYS A 208 23.616 6.910 -1.394 1.00 0.00 N ATOM 444 CA LYS A 208 24.672 6.026 -0.904 1.00 0.00 C ATOM 445 C LYS A 208 24.336 5.525 0.495 1.00 0.00 C ATOM 446 O LYS A 208 24.946 4.575 0.985 1.00 0.00 O ATOM 447 CB LYS A 208 26.018 6.761 -0.867 1.00 0.00 C ATOM 448 CG LYS A 208 26.525 7.009 -2.292 1.00 0.00 C ATOM 449 CD LYS A 208 27.864 7.746 -2.235 1.00 0.00 C ATOM 450 CE LYS A 208 28.366 8.010 -3.655 1.00 0.00 C ATOM 451 NZ LYS A 208 29.647 8.768 -3.590 1.00 0.00 N ATOM 0 H LYS A 208 23.787 7.904 -1.241 1.00 0.00 H new ATOM 0 HA LYS A 208 24.746 5.179 -1.586 1.00 0.00 H new ATOM 0 HB2 LYS A 208 25.908 7.710 -0.342 1.00 0.00 H new ATOM 0 HB3 LYS A 208 26.747 6.172 -0.311 1.00 0.00 H new ATOM 0 HG2 LYS A 208 26.641 6.062 -2.818 1.00 0.00 H new ATOM 0 HG3 LYS A 208 25.797 7.597 -2.851 1.00 0.00 H new ATOM 0 HD2 LYS A 208 27.750 8.688 -1.698 1.00 0.00 H new ATOM 0 HD3 LYS A 208 28.594 7.152 -1.685 1.00 0.00 H new ATOM 0 HE2 LYS A 208 28.514 7.067 -4.182 1.00 0.00 H new ATOM 0 HE3 LYS A 208 27.623 8.576 -4.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 208 29.626 9.545 -4.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 208 29.772 9.158 -2.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 208 30.439 8.131 -3.810 1.00 0.00 H new ATOM 465 N ASN A 209 23.366 6.173 1.136 1.00 0.00 N ATOM 466 CA ASN A 209 22.960 5.785 2.484 1.00 0.00 C ATOM 467 C ASN A 209 21.499 6.146 2.733 1.00 0.00 C ATOM 468 O ASN A 209 20.999 6.011 3.849 1.00 0.00 O ATOM 469 CB ASN A 209 23.853 6.481 3.511 1.00 0.00 C ATOM 470 CG ASN A 209 23.706 8.000 3.386 1.00 0.00 C ATOM 471 OD1 ASN A 209 23.002 8.480 2.496 1.00 0.00 O ATOM 472 ND2 ASN A 209 24.336 8.795 4.218 1.00 0.00 N ATOM 0 H ASN A 209 22.850 6.963 0.748 1.00 0.00 H new ATOM 0 HA ASN A 209 23.068 4.705 2.583 1.00 0.00 H new ATOM 0 HB2 ASN A 209 23.581 6.162 4.517 1.00 0.00 H new ATOM 0 HB3 ASN A 209 24.893 6.194 3.356 1.00 0.00 H new ATOM 0 HD21 ASN A 209 24.242 9.807 4.127 1.00 0.00 H new ATOM 0 HD22 ASN A 209 24.920 8.402 4.956 1.00 0.00 H new ATOM 479 N LYS A 210 20.815 6.593 1.684 1.00 0.00 N ATOM 480 CA LYS A 210 19.407 6.956 1.806 1.00 0.00 C ATOM 481 C LYS A 210 19.232 8.073 2.840 1.00 0.00 C ATOM 482 O LYS A 210 18.498 7.927 3.817 1.00 0.00 O ATOM 483 CB LYS A 210 18.602 5.696 2.207 1.00 0.00 C ATOM 484 CG LYS A 210 17.231 5.660 1.513 1.00 0.00 C ATOM 485 CD LYS A 210 16.398 6.873 1.937 1.00 0.00 C ATOM 486 CE LYS A 210 15.038 6.818 1.240 1.00 0.00 C ATOM 487 NZ LYS A 210 14.208 7.977 1.673 1.00 0.00 N ATOM 0 H LYS A 210 21.207 6.712 0.750 1.00 0.00 H new ATOM 0 HA LYS A 210 19.036 7.330 0.852 1.00 0.00 H new ATOM 0 HB2 LYS A 210 19.168 4.802 1.944 1.00 0.00 H new ATOM 0 HB3 LYS A 210 18.464 5.679 3.288 1.00 0.00 H new ATOM 0 HG2 LYS A 210 17.362 5.658 0.431 1.00 0.00 H new ATOM 0 HG3 LYS A 210 16.707 4.740 1.772 1.00 0.00 H new ATOM 0 HD2 LYS A 210 16.266 6.878 3.019 1.00 0.00 H new ATOM 0 HD3 LYS A 210 16.917 7.795 1.675 1.00 0.00 H new ATOM 0 HE2 LYS A 210 15.171 6.837 0.158 1.00 0.00 H new ATOM 0 HE3 LYS A 210 14.531 5.884 1.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 210 13.283 7.938 1.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 210 14.070 7.940 2.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 210 14.690 8.863 1.420 1.00 0.00 H new ATOM 501 N THR A 211 19.917 9.195 2.611 1.00 0.00 N ATOM 502 CA THR A 211 19.842 10.343 3.516 1.00 0.00 C ATOM 503 C THR A 211 19.730 11.635 2.716 1.00 0.00 C ATOM 504 O THR A 211 19.985 11.656 1.512 1.00 0.00 O ATOM 505 CB THR A 211 21.093 10.406 4.397 1.00 0.00 C ATOM 506 OG1 THR A 211 22.225 10.686 3.584 1.00 0.00 O ATOM 507 CG2 THR A 211 21.299 9.071 5.117 1.00 0.00 C ATOM 0 H THR A 211 20.529 9.333 1.807 1.00 0.00 H new ATOM 0 HA THR A 211 18.960 10.227 4.146 1.00 0.00 H new ATOM 0 HB THR A 211 20.968 11.193 5.141 1.00 0.00 H new ATOM 0 HG1 THR A 211 22.325 9.983 2.909 1.00 0.00 H new ATOM 0 HG21 THR A 211 22.191 9.128 5.740 1.00 0.00 H new ATOM 0 HG22 THR A 211 20.432 8.857 5.743 1.00 0.00 H new ATOM 0 HG23 THR A 211 21.420 8.276 4.381 1.00 0.00 H new ATOM 515 N THR A 212 19.348 12.716 3.392 1.00 0.00 N ATOM 516 CA THR A 212 19.204 14.018 2.734 1.00 0.00 C ATOM 517 C THR A 212 20.362 14.941 3.130 1.00 0.00 C ATOM 518 O THR A 212 20.721 15.015 4.305 1.00 0.00 O ATOM 519 CB THR A 212 17.887 14.665 3.170 1.00 0.00 C ATOM 520 OG1 THR A 212 17.922 14.881 4.574 1.00 0.00 O ATOM 521 CG2 THR A 212 16.716 13.743 2.825 1.00 0.00 C ATOM 0 H THR A 212 19.133 12.720 4.389 1.00 0.00 H new ATOM 0 HA THR A 212 19.211 13.869 1.654 1.00 0.00 H new ATOM 0 HB THR A 212 17.757 15.614 2.651 1.00 0.00 H new ATOM 0 HG1 THR A 212 18.846 15.045 4.857 1.00 0.00 H new ATOM 0 HG21 THR A 212 15.782 14.209 3.138 1.00 0.00 H new ATOM 0 HG22 THR A 212 16.693 13.571 1.749 1.00 0.00 H new ATOM 0 HG23 THR A 212 16.838 12.791 3.342 1.00 0.00 H new ATOM 529 N SER A 213 20.945 15.650 2.154 1.00 0.00 N ATOM 530 CA SER A 213 22.060 16.568 2.439 1.00 0.00 C ATOM 531 C SER A 213 21.753 17.961 1.869 1.00 0.00 C ATOM 532 O SER A 213 21.614 18.116 0.656 1.00 0.00 O ATOM 533 CB SER A 213 23.346 16.030 1.802 1.00 0.00 C ATOM 534 OG SER A 213 23.300 16.248 0.398 1.00 0.00 O ATOM 0 H SER A 213 20.669 15.608 1.173 1.00 0.00 H new ATOM 0 HA SER A 213 22.190 16.643 3.519 1.00 0.00 H new ATOM 0 HB2 SER A 213 24.215 16.529 2.231 1.00 0.00 H new ATOM 0 HB3 SER A 213 23.453 14.966 2.013 1.00 0.00 H new ATOM 0 HG SER A 213 22.454 16.682 0.162 1.00 0.00 H new ATOM 540 N TRP A 214 21.653 18.972 2.745 1.00 0.00 N ATOM 541 CA TRP A 214 21.362 20.344 2.303 1.00 0.00 C ATOM 542 C TRP A 214 22.654 21.167 2.171 1.00 0.00 C ATOM 543 O TRP A 214 22.763 22.232 2.778 1.00 0.00 O ATOM 544 CB TRP A 214 20.432 21.046 3.308 1.00 0.00 C ATOM 545 CG TRP A 214 19.362 20.082 3.750 1.00 0.00 C ATOM 546 CD1 TRP A 214 19.574 19.018 4.568 1.00 0.00 C ATOM 547 CD2 TRP A 214 17.928 20.060 3.419 1.00 0.00 C ATOM 548 NE1 TRP A 214 18.380 18.351 4.757 1.00 0.00 N ATOM 549 CE2 TRP A 214 17.340 18.948 4.079 1.00 0.00 C ATOM 550 CE3 TRP A 214 17.079 20.874 2.629 1.00 0.00 C ATOM 551 CZ2 TRP A 214 15.980 18.655 3.959 1.00 0.00 C ATOM 552 CZ3 TRP A 214 15.712 20.576 2.514 1.00 0.00 C ATOM 553 CH2 TRP A 214 15.165 19.472 3.176 1.00 0.00 C ATOM 0 H TRP A 214 21.768 18.868 3.753 1.00 0.00 H new ATOM 0 HA TRP A 214 20.876 20.278 1.330 1.00 0.00 H new ATOM 0 HB2 TRP A 214 21.003 21.393 4.169 1.00 0.00 H new ATOM 0 HB3 TRP A 214 19.979 21.925 2.850 1.00 0.00 H new ATOM 0 HD1 TRP A 214 20.523 18.739 5.001 1.00 0.00 H new ATOM 0 HE1 TRP A 214 18.280 17.514 5.331 1.00 0.00 H new ATOM 0 HE3 TRP A 214 17.486 21.730 2.112 1.00 0.00 H new ATOM 0 HZ2 TRP A 214 15.562 17.800 4.470 1.00 0.00 H new ATOM 0 HZ3 TRP A 214 15.077 21.205 1.909 1.00 0.00 H new ATOM 0 HH2 TRP A 214 14.112 19.252 3.081 1.00 0.00 H new ATOM 564 N LEU A 215 23.625 20.694 1.368 1.00 0.00 N ATOM 565 CA LEU A 215 24.883 21.434 1.175 1.00 0.00 C ATOM 566 C LEU A 215 24.992 21.843 -0.296 1.00 0.00 C ATOM 567 O LEU A 215 24.498 21.141 -1.178 1.00 0.00 O ATOM 568 CB LEU A 215 26.127 20.572 1.563 1.00 0.00 C ATOM 569 CG LEU A 215 25.932 19.782 2.910 1.00 0.00 C ATOM 570 CD1 LEU A 215 26.523 18.360 2.781 1.00 0.00 C ATOM 571 CD2 LEU A 215 26.664 20.470 4.095 1.00 0.00 C ATOM 0 H LEU A 215 23.564 19.817 0.851 1.00 0.00 H new ATOM 0 HA LEU A 215 24.869 22.311 1.823 1.00 0.00 H new ATOM 0 HB2 LEU A 215 26.337 19.865 0.761 1.00 0.00 H new ATOM 0 HB3 LEU A 215 26.998 21.221 1.652 1.00 0.00 H new ATOM 0 HG LEU A 215 24.860 19.755 3.104 1.00 0.00 H new ATOM 0 HD11 LEU A 215 26.383 17.821 3.718 1.00 0.00 H new ATOM 0 HD12 LEU A 215 26.016 17.827 1.977 1.00 0.00 H new ATOM 0 HD13 LEU A 215 27.588 18.427 2.557 1.00 0.00 H new ATOM 0 HD21 LEU A 215 26.504 19.893 5.006 1.00 0.00 H new ATOM 0 HD22 LEU A 215 27.732 20.523 3.882 1.00 0.00 H new ATOM 0 HD23 LEU A 215 26.271 21.478 4.230 1.00 0.00 H new ATOM 583 N ASP A 216 25.623 22.988 -0.552 1.00 0.00 N ATOM 584 CA ASP A 216 25.768 23.485 -1.918 1.00 0.00 C ATOM 585 C ASP A 216 26.273 22.368 -2.843 1.00 0.00 C ATOM 586 O ASP A 216 26.538 21.257 -2.386 1.00 0.00 O ATOM 587 CB ASP A 216 26.725 24.701 -1.939 1.00 0.00 C ATOM 588 CG ASP A 216 26.808 25.336 -0.553 1.00 0.00 C ATOM 589 OD1 ASP A 216 27.567 24.838 0.263 1.00 0.00 O ATOM 590 OD2 ASP A 216 26.109 26.311 -0.329 1.00 0.00 O ATOM 0 H ASP A 216 26.039 23.585 0.163 1.00 0.00 H new ATOM 0 HA ASP A 216 24.794 23.809 -2.285 1.00 0.00 H new ATOM 0 HB2 ASP A 216 27.717 24.386 -2.262 1.00 0.00 H new ATOM 0 HB3 ASP A 216 26.373 25.436 -2.663 1.00 0.00 H new ATOM 595 N PRO A 217 26.402 22.630 -4.126 1.00 0.00 N ATOM 596 CA PRO A 217 26.871 21.603 -5.113 1.00 0.00 C ATOM 597 C PRO A 217 28.241 21.019 -4.755 1.00 0.00 C ATOM 598 O PRO A 217 29.102 21.705 -4.203 1.00 0.00 O ATOM 599 CB PRO A 217 26.922 22.371 -6.446 1.00 0.00 C ATOM 600 CG PRO A 217 25.987 23.518 -6.257 1.00 0.00 C ATOM 601 CD PRO A 217 26.125 23.914 -4.792 1.00 0.00 C ATOM 0 HA PRO A 217 26.208 20.738 -5.141 1.00 0.00 H new ATOM 0 HB2 PRO A 217 27.932 22.716 -6.666 1.00 0.00 H new ATOM 0 HB3 PRO A 217 26.612 21.740 -7.279 1.00 0.00 H new ATOM 0 HG2 PRO A 217 26.245 24.348 -6.915 1.00 0.00 H new ATOM 0 HG3 PRO A 217 24.962 23.232 -6.492 1.00 0.00 H new ATOM 0 HD2 PRO A 217 26.934 24.629 -4.642 1.00 0.00 H new ATOM 0 HD3 PRO A 217 25.215 24.378 -4.412 1.00 0.00 H new ATOM 609 N ARG A 218 28.416 19.739 -5.069 1.00 0.00 N ATOM 610 CA ARG A 218 29.663 19.041 -4.780 1.00 0.00 C ATOM 611 C ARG A 218 30.852 19.680 -5.505 1.00 0.00 C ATOM 612 O ARG A 218 31.956 19.720 -4.960 1.00 0.00 O ATOM 613 CB ARG A 218 29.552 17.566 -5.203 1.00 0.00 C ATOM 614 CG ARG A 218 30.775 16.760 -4.694 1.00 0.00 C ATOM 615 CD ARG A 218 31.124 15.652 -5.690 1.00 0.00 C ATOM 616 NE ARG A 218 32.158 14.785 -5.136 1.00 0.00 N ATOM 617 CZ ARG A 218 32.671 13.784 -5.844 1.00 0.00 C ATOM 618 NH1 ARG A 218 32.260 13.566 -7.063 1.00 0.00 N ATOM 619 NH2 ARG A 218 33.582 13.014 -5.313 1.00 0.00 N ATOM 0 H ARG A 218 27.708 19.163 -5.525 1.00 0.00 H new ATOM 0 HA ARG A 218 29.835 19.112 -3.706 1.00 0.00 H new ATOM 0 HB2 ARG A 218 28.634 17.135 -4.804 1.00 0.00 H new ATOM 0 HB3 ARG A 218 29.490 17.497 -6.289 1.00 0.00 H new ATOM 0 HG2 ARG A 218 31.629 17.424 -4.562 1.00 0.00 H new ATOM 0 HG3 ARG A 218 30.555 16.327 -3.718 1.00 0.00 H new ATOM 0 HD2 ARG A 218 30.234 15.067 -5.921 1.00 0.00 H new ATOM 0 HD3 ARG A 218 31.470 16.090 -6.626 1.00 0.00 H new ATOM 0 HE ARG A 218 32.494 14.950 -4.187 1.00 0.00 H new ATOM 0 HH11 ARG A 218 31.544 14.164 -7.474 1.00 0.00 H new ATOM 0 HH12 ARG A 218 32.655 12.797 -7.605 1.00 0.00 H new ATOM 0 HH21 ARG A 218 33.898 13.182 -4.358 1.00 0.00 H new ATOM 0 HH22 ARG A 218 33.978 12.245 -5.853 1.00 0.00 H new ATOM 633 N LEU A 219 30.640 20.165 -6.737 1.00 0.00 N ATOM 634 CA LEU A 219 31.728 20.777 -7.513 1.00 0.00 C ATOM 635 C LEU A 219 31.292 22.155 -8.017 1.00 0.00 C ATOM 636 O LEU A 219 31.423 22.472 -9.198 1.00 0.00 O ATOM 637 CB LEU A 219 32.103 19.869 -8.707 1.00 0.00 C ATOM 638 CG LEU A 219 33.423 20.323 -9.370 1.00 0.00 C ATOM 639 CD1 LEU A 219 34.638 20.003 -8.472 1.00 0.00 C ATOM 640 CD2 LEU A 219 33.567 19.610 -10.721 1.00 0.00 C ATOM 0 H LEU A 219 29.738 20.146 -7.212 1.00 0.00 H new ATOM 0 HA LEU A 219 32.602 20.892 -6.872 1.00 0.00 H new ATOM 0 HB2 LEU A 219 32.202 18.839 -8.365 1.00 0.00 H new ATOM 0 HB3 LEU A 219 31.300 19.885 -9.444 1.00 0.00 H new ATOM 0 HG LEU A 219 33.393 21.403 -9.515 1.00 0.00 H new ATOM 0 HD11 LEU A 219 35.552 20.334 -8.965 1.00 0.00 H new ATOM 0 HD12 LEU A 219 34.532 20.521 -7.519 1.00 0.00 H new ATOM 0 HD13 LEU A 219 34.689 18.928 -8.298 1.00 0.00 H new ATOM 0 HD21 LEU A 219 34.495 19.922 -11.200 1.00 0.00 H new ATOM 0 HD22 LEU A 219 33.584 18.532 -10.563 1.00 0.00 H new ATOM 0 HD23 LEU A 219 32.724 19.869 -11.361 1.00 0.00 H new ATOM 652 N GLU A 220 30.765 22.966 -7.099 1.00 0.00 N ATOM 653 CA GLU A 220 30.297 24.319 -7.421 1.00 0.00 C ATOM 654 C GLU A 220 29.729 24.390 -8.842 1.00 0.00 C ATOM 655 O GLU A 220 30.279 25.083 -9.700 1.00 0.00 O ATOM 656 CB GLU A 220 31.453 25.316 -7.277 1.00 0.00 C ATOM 657 CG GLU A 220 30.916 26.752 -7.340 1.00 0.00 C ATOM 658 CD GLU A 220 30.123 27.058 -6.075 1.00 0.00 C ATOM 659 OE1 GLU A 220 30.159 26.243 -5.167 1.00 0.00 O ATOM 660 OE2 GLU A 220 29.495 28.101 -6.028 1.00 0.00 O ATOM 0 H GLU A 220 30.650 22.709 -6.119 1.00 0.00 H new ATOM 0 HA GLU A 220 29.500 24.575 -6.723 1.00 0.00 H new ATOM 0 HB2 GLU A 220 31.969 25.153 -6.331 1.00 0.00 H new ATOM 0 HB3 GLU A 220 32.183 25.156 -8.070 1.00 0.00 H new ATOM 0 HG2 GLU A 220 31.742 27.456 -7.442 1.00 0.00 H new ATOM 0 HG3 GLU A 220 30.282 26.875 -8.218 1.00 0.00 H new ATOM 667 N THR A 221 28.635 23.657 -9.071 1.00 0.00 N ATOM 668 CA THR A 221 27.964 23.607 -10.383 1.00 0.00 C ATOM 669 C THR A 221 28.910 23.972 -11.531 1.00 0.00 C ATOM 670 O THR A 221 28.715 24.971 -12.220 1.00 0.00 O ATOM 671 CB THR A 221 26.733 24.536 -10.388 1.00 0.00 C ATOM 672 OG1 THR A 221 25.990 24.313 -11.577 1.00 0.00 O ATOM 673 CG2 THR A 221 27.143 26.029 -10.323 1.00 0.00 C ATOM 0 H THR A 221 28.187 23.082 -8.358 1.00 0.00 H new ATOM 0 HA THR A 221 27.641 22.578 -10.544 1.00 0.00 H new ATOM 0 HB THR A 221 26.133 24.309 -9.507 1.00 0.00 H new ATOM 0 HG1 THR A 221 25.205 24.899 -11.587 1.00 0.00 H new ATOM 0 HG21 THR A 221 26.249 26.652 -10.328 1.00 0.00 H new ATOM 0 HG22 THR A 221 27.707 26.212 -9.409 1.00 0.00 H new ATOM 0 HG23 THR A 221 27.762 26.274 -11.186 1.00 0.00 H new ATOM 681 N ARG A 222 29.936 23.149 -11.727 1.00 0.00 N ATOM 682 CA ARG A 222 30.907 23.394 -12.789 1.00 0.00 C ATOM 683 C ARG A 222 31.850 22.204 -12.934 1.00 0.00 C ATOM 684 O ARG A 222 32.911 22.238 -12.333 1.00 0.00 O ATOM 685 CB ARG A 222 31.715 24.658 -12.469 1.00 0.00 C ATOM 686 CG ARG A 222 32.666 24.978 -13.625 1.00 0.00 C ATOM 687 CD ARG A 222 33.434 26.262 -13.304 1.00 0.00 C ATOM 688 NE ARG A 222 32.524 27.402 -13.289 1.00 0.00 N ATOM 689 CZ ARG A 222 32.964 28.629 -13.032 1.00 0.00 C ATOM 690 NH1 ARG A 222 34.231 28.832 -12.791 1.00 0.00 N ATOM 691 NH2 ARG A 222 32.131 29.632 -13.014 1.00 0.00 N ATOM 692 OXT ARG A 222 31.497 21.276 -13.643 1.00 0.00 O ATOM 0 H ARG A 222 30.116 22.314 -11.170 1.00 0.00 H new ATOM 0 HA ARG A 222 30.371 23.532 -13.728 1.00 0.00 H new ATOM 0 HB2 ARG A 222 31.041 25.497 -12.299 1.00 0.00 H new ATOM 0 HB3 ARG A 222 32.282 24.514 -11.550 1.00 0.00 H new ATOM 0 HG2 ARG A 222 33.361 24.153 -13.779 1.00 0.00 H new ATOM 0 HG3 ARG A 222 32.104 25.098 -14.551 1.00 0.00 H new ATOM 0 HD2 ARG A 222 33.927 26.168 -12.336 1.00 0.00 H new ATOM 0 HD3 ARG A 222 34.217 26.422 -14.046 1.00 0.00 H new ATOM 0 HE ARG A 222 31.533 27.255 -13.479 1.00 0.00 H new ATOM 0 HH11 ARG A 222 34.884 28.048 -12.800 1.00 0.00 H new ATOM 0 HH12 ARG A 222 34.568 29.774 -12.594 1.00 0.00 H new ATOM 0 HH21 ARG A 222 31.140 29.475 -13.197 1.00 0.00 H new ATOM 0 HH22 ARG A 222 32.470 30.573 -12.817 1.00 0.00 H new TER 706 ARG A 222