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= -5.94! C(o=-6.1!,f=-9.4!) USER MOD Set 1.2: A 209 ASN :FLIP amide:sc= -1.41 F(o=-17!,f=-6.1) USER MOD Set 1.3: A 211 THR OG1 : rot -61:sc= 1.21 USER MOD Set 2.1: A 207 HIS : no HD1:sc= -1.63! C(o=-1.6!,f=-3.2!) USER MOD Set 2.2: A 210 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 194 GLN : amide:sc= -1.85 K(o=-0.58,f=-6.4!) USER MOD Set 3.2: A 204 TYR OH : rot -45:sc= 1.26 USER MOD Single : A 178 SER OG : rot -11:sc= 0.465 USER MOD Single : A 180 ASN : amide:sc= -0.131 K(o=-0.13,f=-1.7!) USER MOD Single : A 181 SER OG : rot 180:sc= -0.314 USER MOD Single : A 182 SER OG : rot 180:sc= 0 USER MOD Single : A 185 SER OG : rot 180:sc= 0.0032 USER MOD Single : A 197 THR OG1 : rot -100:sc= 1.84 USER MOD Single : A 203 TYR OH : rot -110:sc= -0.187 USER MOD Single : A 208 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 212 THR OG1 : rot 180:sc= 0 USER MOD Single : A 213 SER OG : rot 140:sc= -0.0589 USER MOD Single : A 221 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 177 40.990 16.760 -30.260 1.00 0.00 N ATOM 2 CA GLY A 177 40.331 17.864 -31.016 1.00 0.00 C ATOM 3 C GLY A 177 39.800 18.907 -30.039 1.00 0.00 C ATOM 4 O GLY A 177 40.214 18.956 -28.881 1.00 0.00 O ATOM 0 HA2 GLY A 177 41.042 18.323 -31.703 1.00 0.00 H new ATOM 0 HA3 GLY A 177 39.515 17.468 -31.620 1.00 0.00 H new ATOM 10 N SER A 178 38.882 19.737 -30.517 1.00 0.00 N ATOM 11 CA SER A 178 38.294 20.780 -29.684 1.00 0.00 C ATOM 12 C SER A 178 36.996 21.294 -30.305 1.00 0.00 C ATOM 13 O SER A 178 36.819 22.496 -30.494 1.00 0.00 O ATOM 14 CB SER A 178 39.284 21.934 -29.521 1.00 0.00 C ATOM 15 OG SER A 178 40.448 21.459 -28.858 1.00 0.00 O ATOM 0 H SER A 178 38.529 19.709 -31.474 1.00 0.00 H new ATOM 0 HA SER A 178 38.068 20.357 -28.705 1.00 0.00 H new ATOM 0 HB2 SER A 178 39.548 22.344 -30.496 1.00 0.00 H new ATOM 0 HB3 SER A 178 38.829 22.742 -28.948 1.00 0.00 H new ATOM 0 HG SER A 178 40.278 20.563 -28.500 1.00 0.00 H new ATOM 21 N PRO A 179 36.093 20.402 -30.618 1.00 0.00 N ATOM 22 CA PRO A 179 34.776 20.765 -31.223 1.00 0.00 C ATOM 23 C PRO A 179 33.915 21.581 -30.259 1.00 0.00 C ATOM 24 O PRO A 179 33.027 22.323 -30.680 1.00 0.00 O ATOM 25 CB PRO A 179 34.133 19.402 -31.544 1.00 0.00 C ATOM 26 CG PRO A 179 34.810 18.422 -30.634 1.00 0.00 C ATOM 27 CD PRO A 179 36.232 18.944 -30.430 1.00 0.00 C ATOM 0 HA PRO A 179 34.882 21.398 -32.104 1.00 0.00 H new ATOM 0 HB2 PRO A 179 33.057 19.423 -31.369 1.00 0.00 H new ATOM 0 HB3 PRO A 179 34.280 19.134 -32.590 1.00 0.00 H new ATOM 0 HG2 PRO A 179 34.283 18.345 -29.683 1.00 0.00 H new ATOM 0 HG3 PRO A 179 34.820 17.425 -31.074 1.00 0.00 H new ATOM 0 HD2 PRO A 179 36.610 18.701 -29.437 1.00 0.00 H new ATOM 0 HD3 PRO A 179 36.926 18.511 -31.150 1.00 0.00 H new ATOM 35 N ASN A 180 34.189 21.446 -28.965 1.00 0.00 N ATOM 36 CA ASN A 180 33.437 22.184 -27.949 1.00 0.00 C ATOM 37 C ASN A 180 34.275 22.343 -26.683 1.00 0.00 C ATOM 38 O ASN A 180 34.687 21.358 -26.072 1.00 0.00 O ATOM 39 CB ASN A 180 32.124 21.456 -27.621 1.00 0.00 C ATOM 40 CG ASN A 180 31.140 22.422 -26.965 1.00 0.00 C ATOM 41 OD1 ASN A 180 31.125 23.610 -27.288 1.00 0.00 O ATOM 42 ND2 ASN A 180 30.312 21.981 -26.055 1.00 0.00 N ATOM 0 H ASN A 180 34.920 20.838 -28.595 1.00 0.00 H new ATOM 0 HA ASN A 180 33.201 23.172 -28.343 1.00 0.00 H new ATOM 0 HB2 ASN A 180 31.690 21.045 -28.532 1.00 0.00 H new ATOM 0 HB3 ASN A 180 32.321 20.616 -26.954 1.00 0.00 H new ATOM 0 HD21 ASN A 180 29.653 22.621 -25.612 1.00 0.00 H new ATOM 0 HD22 ASN A 180 30.325 20.997 -25.788 1.00 0.00 H new ATOM 49 N SER A 181 34.527 23.590 -26.300 1.00 0.00 N ATOM 50 CA SER A 181 35.323 23.862 -25.101 1.00 0.00 C ATOM 51 C SER A 181 34.601 23.368 -23.851 1.00 0.00 C ATOM 52 O SER A 181 35.235 22.906 -22.902 1.00 0.00 O ATOM 53 CB SER A 181 35.604 25.361 -24.968 1.00 0.00 C ATOM 54 OG SER A 181 34.371 26.064 -24.896 1.00 0.00 O ATOM 0 H SER A 181 34.198 24.421 -26.792 1.00 0.00 H new ATOM 0 HA SER A 181 36.269 23.329 -25.200 1.00 0.00 H new ATOM 0 HB2 SER A 181 36.199 25.554 -24.075 1.00 0.00 H new ATOM 0 HB3 SER A 181 36.186 25.711 -25.820 1.00 0.00 H new ATOM 0 HG SER A 181 34.547 27.024 -24.809 1.00 0.00 H new ATOM 60 N SER A 182 33.275 23.471 -23.858 1.00 0.00 N ATOM 61 CA SER A 182 32.473 23.033 -22.718 1.00 0.00 C ATOM 62 C SER A 182 32.819 23.839 -21.469 1.00 0.00 C ATOM 63 O SER A 182 33.342 23.298 -20.495 1.00 0.00 O ATOM 64 CB SER A 182 32.712 21.546 -22.452 1.00 0.00 C ATOM 65 OG SER A 182 32.668 20.838 -23.684 1.00 0.00 O ATOM 0 H SER A 182 32.735 23.851 -24.635 1.00 0.00 H new ATOM 0 HA SER A 182 31.422 23.196 -22.957 1.00 0.00 H new ATOM 0 HB2 SER A 182 33.679 21.401 -21.970 1.00 0.00 H new ATOM 0 HB3 SER A 182 31.955 21.160 -21.770 1.00 0.00 H new ATOM 0 HG SER A 182 32.822 19.884 -23.519 1.00 0.00 H new ATOM 71 N PRO A 183 32.531 25.115 -21.481 1.00 0.00 N ATOM 72 CA PRO A 183 32.806 26.017 -20.330 1.00 0.00 C ATOM 73 C PRO A 183 31.680 25.979 -19.295 1.00 0.00 C ATOM 74 O PRO A 183 31.140 27.017 -18.912 1.00 0.00 O ATOM 75 CB PRO A 183 32.909 27.389 -21.000 1.00 0.00 C ATOM 76 CG PRO A 183 31.951 27.320 -22.152 1.00 0.00 C ATOM 77 CD PRO A 183 31.907 25.846 -22.599 1.00 0.00 C ATOM 0 HA PRO A 183 33.699 25.739 -19.770 1.00 0.00 H new ATOM 0 HB2 PRO A 183 32.641 28.189 -20.309 1.00 0.00 H new ATOM 0 HB3 PRO A 183 33.925 27.589 -21.341 1.00 0.00 H new ATOM 0 HG2 PRO A 183 30.961 27.664 -21.854 1.00 0.00 H new ATOM 0 HG3 PRO A 183 32.280 27.963 -22.968 1.00 0.00 H new ATOM 0 HD2 PRO A 183 30.884 25.512 -22.773 1.00 0.00 H new ATOM 0 HD3 PRO A 183 32.454 25.695 -23.530 1.00 0.00 H new ATOM 85 N ALA A 184 31.329 24.777 -18.852 1.00 0.00 N ATOM 86 CA ALA A 184 30.253 24.629 -17.854 1.00 0.00 C ATOM 87 C ALA A 184 30.167 23.185 -17.361 1.00 0.00 C ATOM 88 O ALA A 184 29.117 22.549 -17.467 1.00 0.00 O ATOM 89 CB ALA A 184 28.897 25.042 -18.454 1.00 0.00 C ATOM 0 H ALA A 184 31.758 23.902 -19.154 1.00 0.00 H new ATOM 0 HA ALA A 184 30.488 25.281 -17.013 1.00 0.00 H new ATOM 0 HB1 ALA A 184 28.116 24.926 -17.703 1.00 0.00 H new ATOM 0 HB2 ALA A 184 28.942 26.083 -18.772 1.00 0.00 H new ATOM 0 HB3 ALA A 184 28.671 24.410 -19.313 1.00 0.00 H new ATOM 95 N SER A 185 31.273 22.670 -16.824 1.00 0.00 N ATOM 96 CA SER A 185 31.299 21.301 -16.322 1.00 0.00 C ATOM 97 C SER A 185 30.409 21.165 -15.089 1.00 0.00 C ATOM 98 O SER A 185 30.108 22.151 -14.417 1.00 0.00 O ATOM 99 CB SER A 185 32.736 20.915 -15.965 1.00 0.00 C ATOM 100 OG SER A 185 33.276 21.900 -15.093 1.00 0.00 O ATOM 0 H SER A 185 32.153 23.176 -16.727 1.00 0.00 H new ATOM 0 HA SER A 185 30.922 20.635 -17.098 1.00 0.00 H new ATOM 0 HB2 SER A 185 32.755 19.936 -15.486 1.00 0.00 H new ATOM 0 HB3 SER A 185 33.341 20.839 -16.868 1.00 0.00 H new ATOM 0 HG SER A 185 34.196 21.659 -14.858 1.00 0.00 H new ATOM 106 N GLY A 186 29.987 19.938 -14.803 1.00 0.00 N ATOM 107 CA GLY A 186 29.122 19.688 -13.649 1.00 0.00 C ATOM 108 C GLY A 186 28.410 18.345 -13.790 1.00 0.00 C ATOM 109 O GLY A 186 27.190 18.295 -13.948 1.00 0.00 O ATOM 0 H GLY A 186 30.225 19.108 -15.346 1.00 0.00 H new ATOM 0 HA2 GLY A 186 29.715 19.697 -12.735 1.00 0.00 H new ATOM 0 HA3 GLY A 186 28.387 20.488 -13.559 1.00 0.00 H new ATOM 113 N PRO A 187 29.142 17.263 -13.747 1.00 0.00 N ATOM 114 CA PRO A 187 28.563 15.898 -13.879 1.00 0.00 C ATOM 115 C PRO A 187 27.843 15.444 -12.611 1.00 0.00 C ATOM 116 O PRO A 187 28.120 15.935 -11.516 1.00 0.00 O ATOM 117 CB PRO A 187 29.785 15.029 -14.195 1.00 0.00 C ATOM 118 CG PRO A 187 30.928 15.716 -13.516 1.00 0.00 C ATOM 119 CD PRO A 187 30.609 17.219 -13.558 1.00 0.00 C ATOM 0 HA PRO A 187 27.792 15.841 -14.648 1.00 0.00 H new ATOM 0 HB2 PRO A 187 29.655 14.013 -13.821 1.00 0.00 H new ATOM 0 HB3 PRO A 187 29.950 14.955 -15.270 1.00 0.00 H new ATOM 0 HG2 PRO A 187 31.036 15.369 -12.488 1.00 0.00 H new ATOM 0 HG3 PRO A 187 31.868 15.503 -14.025 1.00 0.00 H new ATOM 0 HD2 PRO A 187 30.909 17.718 -12.636 1.00 0.00 H new ATOM 0 HD3 PRO A 187 31.133 17.717 -14.374 1.00 0.00 H new ATOM 127 N LEU A 188 26.919 14.498 -12.777 1.00 0.00 N ATOM 128 CA LEU A 188 26.147 13.953 -11.653 1.00 0.00 C ATOM 129 C LEU A 188 26.197 12.419 -11.696 1.00 0.00 C ATOM 130 O LEU A 188 25.374 11.801 -12.371 1.00 0.00 O ATOM 131 CB LEU A 188 24.667 14.408 -11.728 1.00 0.00 C ATOM 132 CG LEU A 188 24.503 15.882 -11.259 1.00 0.00 C ATOM 133 CD1 LEU A 188 24.686 16.865 -12.432 1.00 0.00 C ATOM 134 CD2 LEU A 188 23.096 16.077 -10.663 1.00 0.00 C ATOM 0 H LEU A 188 26.684 14.090 -13.682 1.00 0.00 H new ATOM 0 HA LEU A 188 26.584 14.322 -10.725 1.00 0.00 H new ATOM 0 HB2 LEU A 188 24.305 14.308 -12.751 1.00 0.00 H new ATOM 0 HB3 LEU A 188 24.052 13.756 -11.107 1.00 0.00 H new ATOM 0 HG LEU A 188 25.268 16.085 -10.509 1.00 0.00 H new ATOM 0 HD11 LEU A 188 24.566 17.887 -12.072 1.00 0.00 H new ATOM 0 HD12 LEU A 188 25.683 16.744 -12.856 1.00 0.00 H new ATOM 0 HD13 LEU A 188 23.939 16.660 -13.199 1.00 0.00 H new ATOM 0 HD21 LEU A 188 22.980 17.110 -10.334 1.00 0.00 H new ATOM 0 HD22 LEU A 188 22.345 15.851 -11.420 1.00 0.00 H new ATOM 0 HD23 LEU A 188 22.965 15.408 -9.812 1.00 0.00 H new ATOM 146 N PRO A 189 27.128 11.787 -11.011 1.00 0.00 N ATOM 147 CA PRO A 189 27.234 10.298 -11.015 1.00 0.00 C ATOM 148 C PRO A 189 26.218 9.650 -10.073 1.00 0.00 C ATOM 149 O PRO A 189 25.784 10.269 -9.102 1.00 0.00 O ATOM 150 CB PRO A 189 28.675 10.052 -10.554 1.00 0.00 C ATOM 151 CG PRO A 189 28.980 11.197 -9.640 1.00 0.00 C ATOM 152 CD PRO A 189 28.172 12.396 -10.160 1.00 0.00 C ATOM 0 HA PRO A 189 27.017 9.860 -11.989 1.00 0.00 H new ATOM 0 HB2 PRO A 189 28.768 9.097 -10.037 1.00 0.00 H new ATOM 0 HB3 PRO A 189 29.363 10.026 -11.399 1.00 0.00 H new ATOM 0 HG2 PRO A 189 28.703 10.958 -8.613 1.00 0.00 H new ATOM 0 HG3 PRO A 189 30.047 11.419 -9.639 1.00 0.00 H new ATOM 0 HD2 PRO A 189 27.735 12.967 -9.341 1.00 0.00 H new ATOM 0 HD3 PRO A 189 28.799 13.083 -10.729 1.00 0.00 H new ATOM 160 N GLU A 190 25.842 8.406 -10.362 1.00 0.00 N ATOM 161 CA GLU A 190 24.874 7.706 -9.513 1.00 0.00 C ATOM 162 C GLU A 190 25.364 7.714 -8.064 1.00 0.00 C ATOM 163 O GLU A 190 26.425 7.167 -7.762 1.00 0.00 O ATOM 164 CB GLU A 190 24.674 6.252 -9.977 1.00 0.00 C ATOM 165 CG GLU A 190 23.610 5.580 -9.104 1.00 0.00 C ATOM 166 CD GLU A 190 23.334 4.166 -9.606 1.00 0.00 C ATOM 167 OE1 GLU A 190 23.718 3.869 -10.727 1.00 0.00 O ATOM 168 OE2 GLU A 190 22.740 3.402 -8.865 1.00 0.00 O ATOM 0 H GLU A 190 26.183 7.869 -11.159 1.00 0.00 H new ATOM 0 HA GLU A 190 23.918 8.225 -9.588 1.00 0.00 H new ATOM 0 HB2 GLU A 190 24.368 6.232 -11.023 1.00 0.00 H new ATOM 0 HB3 GLU A 190 25.614 5.705 -9.909 1.00 0.00 H new ATOM 0 HG2 GLU A 190 23.947 5.547 -8.068 1.00 0.00 H new ATOM 0 HG3 GLU A 190 22.691 6.166 -9.122 1.00 0.00 H new ATOM 175 N GLY A 191 24.599 8.351 -7.170 1.00 0.00 N ATOM 176 CA GLY A 191 24.978 8.441 -5.756 1.00 0.00 C ATOM 177 C GLY A 191 24.816 9.879 -5.275 1.00 0.00 C ATOM 178 O GLY A 191 24.979 10.179 -4.092 1.00 0.00 O ATOM 0 H GLY A 191 23.717 8.810 -7.400 1.00 0.00 H new ATOM 0 HA2 GLY A 191 24.356 7.775 -5.159 1.00 0.00 H new ATOM 0 HA3 GLY A 191 26.010 8.117 -5.624 1.00 0.00 H new ATOM 182 N TRP A 192 24.487 10.759 -6.217 1.00 0.00 N ATOM 183 CA TRP A 192 24.299 12.169 -5.925 1.00 0.00 C ATOM 184 C TRP A 192 23.489 12.821 -7.038 1.00 0.00 C ATOM 185 O TRP A 192 24.038 13.231 -8.060 1.00 0.00 O ATOM 186 CB TRP A 192 25.654 12.871 -5.804 1.00 0.00 C ATOM 187 CG TRP A 192 26.365 12.400 -4.579 1.00 0.00 C ATOM 188 CD1 TRP A 192 27.385 11.512 -4.560 1.00 0.00 C ATOM 189 CD2 TRP A 192 26.135 12.784 -3.196 1.00 0.00 C ATOM 190 NE1 TRP A 192 27.800 11.334 -3.251 1.00 0.00 N ATOM 191 CE2 TRP A 192 27.056 12.095 -2.373 1.00 0.00 C ATOM 192 CE3 TRP A 192 25.221 13.659 -2.581 1.00 0.00 C ATOM 193 CZ2 TRP A 192 27.072 12.269 -0.988 1.00 0.00 C ATOM 194 CZ3 TRP A 192 25.234 13.837 -1.189 1.00 0.00 C ATOM 195 CH2 TRP A 192 26.157 13.143 -0.393 1.00 0.00 C ATOM 0 H TRP A 192 24.345 10.513 -7.197 1.00 0.00 H new ATOM 0 HA TRP A 192 23.764 12.262 -4.980 1.00 0.00 H new ATOM 0 HB2 TRP A 192 26.259 12.666 -6.687 1.00 0.00 H new ATOM 0 HB3 TRP A 192 25.511 13.951 -5.759 1.00 0.00 H new ATOM 0 HD1 TRP A 192 27.807 11.022 -5.425 1.00 0.00 H new ATOM 0 HE1 TRP A 192 28.562 10.716 -2.970 1.00 0.00 H new ATOM 0 HE3 TRP A 192 24.505 14.197 -3.184 1.00 0.00 H new ATOM 0 HZ2 TRP A 192 27.786 11.733 -0.381 1.00 0.00 H new ATOM 0 HZ3 TRP A 192 24.529 14.513 -0.728 1.00 0.00 H new ATOM 0 HH2 TRP A 192 26.161 13.283 0.678 1.00 0.00 H new ATOM 206 N GLU A 193 22.179 12.924 -6.826 1.00 0.00 N ATOM 207 CA GLU A 193 21.280 13.546 -7.818 1.00 0.00 C ATOM 208 C GLU A 193 20.465 14.661 -7.159 1.00 0.00 C ATOM 209 O GLU A 193 19.799 14.439 -6.146 1.00 0.00 O ATOM 210 CB GLU A 193 20.332 12.508 -8.457 1.00 0.00 C ATOM 211 CG GLU A 193 21.089 11.658 -9.484 1.00 0.00 C ATOM 212 CD GLU A 193 20.150 10.621 -10.091 1.00 0.00 C ATOM 213 OE1 GLU A 193 18.992 10.602 -9.707 1.00 0.00 O ATOM 214 OE2 GLU A 193 20.602 9.860 -10.931 1.00 0.00 O ATOM 0 H GLU A 193 21.710 12.590 -5.984 1.00 0.00 H new ATOM 0 HA GLU A 193 21.899 13.966 -8.611 1.00 0.00 H new ATOM 0 HB2 GLU A 193 19.910 11.866 -7.684 1.00 0.00 H new ATOM 0 HB3 GLU A 193 19.497 13.016 -8.940 1.00 0.00 H new ATOM 0 HG2 GLU A 193 21.496 12.296 -10.268 1.00 0.00 H new ATOM 0 HG3 GLU A 193 21.934 11.161 -9.007 1.00 0.00 H new ATOM 221 N GLN A 194 20.527 15.860 -7.737 1.00 0.00 N ATOM 222 CA GLN A 194 19.797 17.009 -7.192 1.00 0.00 C ATOM 223 C GLN A 194 18.314 16.907 -7.517 1.00 0.00 C ATOM 224 O GLN A 194 17.934 16.572 -8.639 1.00 0.00 O ATOM 225 CB GLN A 194 20.375 18.305 -7.761 1.00 0.00 C ATOM 226 CG GLN A 194 19.620 19.522 -7.218 1.00 0.00 C ATOM 227 CD GLN A 194 20.290 20.795 -7.722 1.00 0.00 C ATOM 228 OE1 GLN A 194 21.434 20.755 -8.177 1.00 0.00 O ATOM 229 NE2 GLN A 194 19.645 21.929 -7.673 1.00 0.00 N ATOM 0 H GLN A 194 21.070 16.063 -8.576 1.00 0.00 H new ATOM 0 HA GLN A 194 19.909 17.012 -6.108 1.00 0.00 H new ATOM 0 HB2 GLN A 194 21.431 18.382 -7.503 1.00 0.00 H new ATOM 0 HB3 GLN A 194 20.313 18.289 -8.849 1.00 0.00 H new ATOM 0 HG2 GLN A 194 18.579 19.493 -7.541 1.00 0.00 H new ATOM 0 HG3 GLN A 194 19.616 19.506 -6.128 1.00 0.00 H new ATOM 0 HE21 GLN A 194 18.698 21.961 -7.296 1.00 0.00 H new ATOM 0 HE22 GLN A 194 20.088 22.783 -8.012 1.00 0.00 H new ATOM 238 N ALA A 195 17.479 17.186 -6.521 1.00 0.00 N ATOM 239 CA ALA A 195 16.034 17.104 -6.718 1.00 0.00 C ATOM 240 C ALA A 195 15.282 17.853 -5.620 1.00 0.00 C ATOM 241 O ALA A 195 15.837 18.165 -4.568 1.00 0.00 O ATOM 242 CB ALA A 195 15.593 15.633 -6.733 1.00 0.00 C ATOM 0 H ALA A 195 17.770 17.466 -5.584 1.00 0.00 H new ATOM 0 HA ALA A 195 15.796 17.570 -7.674 1.00 0.00 H new ATOM 0 HB1 ALA A 195 14.514 15.578 -6.880 1.00 0.00 H new ATOM 0 HB2 ALA A 195 16.097 15.110 -7.546 1.00 0.00 H new ATOM 0 HB3 ALA A 195 15.854 15.165 -5.784 1.00 0.00 H new ATOM 248 N ILE A 196 14.009 18.140 -5.889 1.00 0.00 N ATOM 249 CA ILE A 196 13.161 18.863 -4.941 1.00 0.00 C ATOM 250 C ILE A 196 12.428 17.879 -4.008 1.00 0.00 C ATOM 251 O ILE A 196 11.933 16.848 -4.458 1.00 0.00 O ATOM 252 CB ILE A 196 12.131 19.743 -5.725 1.00 0.00 C ATOM 253 CG1 ILE A 196 10.751 19.058 -5.867 1.00 0.00 C ATOM 254 CG2 ILE A 196 12.643 20.042 -7.143 1.00 0.00 C ATOM 255 CD1 ILE A 196 10.848 17.744 -6.666 1.00 0.00 C ATOM 0 H ILE A 196 13.541 17.882 -6.758 1.00 0.00 H new ATOM 0 HA ILE A 196 13.788 19.508 -4.326 1.00 0.00 H new ATOM 0 HB ILE A 196 12.019 20.659 -5.145 1.00 0.00 H new ATOM 0 HG12 ILE A 196 10.343 18.853 -4.877 1.00 0.00 H new ATOM 0 HG13 ILE A 196 10.057 19.736 -6.364 1.00 0.00 H new ATOM 0 HG21 ILE A 196 11.913 20.655 -7.672 1.00 0.00 H new ATOM 0 HG22 ILE A 196 13.590 20.578 -7.082 1.00 0.00 H new ATOM 0 HG23 ILE A 196 12.789 19.106 -7.682 1.00 0.00 H new ATOM 0 HD11 ILE A 196 9.859 17.292 -6.745 1.00 0.00 H new ATOM 0 HD12 ILE A 196 11.232 17.953 -7.665 1.00 0.00 H new ATOM 0 HD13 ILE A 196 11.522 17.056 -6.155 1.00 0.00 H new ATOM 267 N THR A 197 12.334 18.217 -2.715 1.00 0.00 N ATOM 268 CA THR A 197 11.624 17.366 -1.761 1.00 0.00 C ATOM 269 C THR A 197 10.122 17.660 -1.882 1.00 0.00 C ATOM 270 O THR A 197 9.735 18.589 -2.591 1.00 0.00 O ATOM 271 CB THR A 197 12.142 17.680 -0.325 1.00 0.00 C ATOM 272 OG1 THR A 197 13.077 18.745 -0.415 1.00 0.00 O ATOM 273 CG2 THR A 197 12.845 16.470 0.348 1.00 0.00 C ATOM 0 H THR A 197 12.736 19.064 -2.313 1.00 0.00 H new ATOM 0 HA THR A 197 11.798 16.310 -1.967 1.00 0.00 H new ATOM 0 HB THR A 197 11.277 17.936 0.287 1.00 0.00 H new ATOM 0 HG1 THR A 197 13.988 18.384 -0.393 1.00 0.00 H new ATOM 0 HG21 THR A 197 13.182 16.754 1.345 1.00 0.00 H new ATOM 0 HG22 THR A 197 12.144 15.639 0.425 1.00 0.00 H new ATOM 0 HG23 THR A 197 13.703 16.167 -0.253 1.00 0.00 H new ATOM 281 N PRO A 198 9.274 16.922 -1.207 1.00 0.00 N ATOM 282 CA PRO A 198 7.801 17.160 -1.267 1.00 0.00 C ATOM 283 C PRO A 198 7.462 18.611 -0.925 1.00 0.00 C ATOM 284 O PRO A 198 6.496 19.174 -1.441 1.00 0.00 O ATOM 285 CB PRO A 198 7.232 16.189 -0.218 1.00 0.00 C ATOM 286 CG PRO A 198 8.250 15.101 -0.123 1.00 0.00 C ATOM 287 CD PRO A 198 9.601 15.784 -0.325 1.00 0.00 C ATOM 0 HA PRO A 198 7.386 16.993 -2.261 1.00 0.00 H new ATOM 0 HB2 PRO A 198 7.088 16.683 0.743 1.00 0.00 H new ATOM 0 HB3 PRO A 198 6.261 15.799 -0.524 1.00 0.00 H new ATOM 0 HG2 PRO A 198 8.203 14.604 0.846 1.00 0.00 H new ATOM 0 HG3 PRO A 198 8.079 14.337 -0.882 1.00 0.00 H new ATOM 0 HD2 PRO A 198 10.029 16.117 0.620 1.00 0.00 H new ATOM 0 HD3 PRO A 198 10.327 15.113 -0.785 1.00 0.00 H new ATOM 295 N GLU A 199 8.276 19.211 -0.063 1.00 0.00 N ATOM 296 CA GLU A 199 8.063 20.605 0.331 1.00 0.00 C ATOM 297 C GLU A 199 8.321 21.539 -0.854 1.00 0.00 C ATOM 298 O GLU A 199 7.877 22.687 -0.859 1.00 0.00 O ATOM 299 CB GLU A 199 8.985 20.965 1.502 1.00 0.00 C ATOM 300 CG GLU A 199 8.631 22.361 2.022 1.00 0.00 C ATOM 301 CD GLU A 199 9.466 22.683 3.257 1.00 0.00 C ATOM 302 OE1 GLU A 199 10.403 21.947 3.523 1.00 0.00 O ATOM 303 OE2 GLU A 199 9.159 23.661 3.917 1.00 0.00 O ATOM 0 H GLU A 199 9.081 18.763 0.374 1.00 0.00 H new ATOM 0 HA GLU A 199 7.027 20.726 0.647 1.00 0.00 H new ATOM 0 HB2 GLU A 199 8.880 20.231 2.301 1.00 0.00 H new ATOM 0 HB3 GLU A 199 10.026 20.939 1.180 1.00 0.00 H new ATOM 0 HG2 GLU A 199 8.813 23.104 1.246 1.00 0.00 H new ATOM 0 HG3 GLU A 199 7.570 22.409 2.267 1.00 0.00 H new ATOM 310 N GLY A 200 9.040 21.035 -1.861 1.00 0.00 N ATOM 311 CA GLY A 200 9.349 21.833 -3.054 1.00 0.00 C ATOM 312 C GLY A 200 10.694 22.555 -2.899 1.00 0.00 C ATOM 313 O GLY A 200 11.103 23.300 -3.788 1.00 0.00 O ATOM 0 H GLY A 200 9.417 20.087 -1.876 1.00 0.00 H new ATOM 0 HA2 GLY A 200 9.378 21.186 -3.931 1.00 0.00 H new ATOM 0 HA3 GLY A 200 8.557 22.563 -3.223 1.00 0.00 H new ATOM 317 N GLU A 201 11.379 22.336 -1.769 1.00 0.00 N ATOM 318 CA GLU A 201 12.670 22.984 -1.530 1.00 0.00 C ATOM 319 C GLU A 201 13.787 22.195 -2.211 1.00 0.00 C ATOM 320 O GLU A 201 13.945 20.999 -1.971 1.00 0.00 O ATOM 321 CB GLU A 201 12.913 23.051 -0.015 1.00 0.00 C ATOM 322 CG GLU A 201 14.240 23.752 0.308 1.00 0.00 C ATOM 323 CD GLU A 201 14.154 25.236 -0.034 1.00 0.00 C ATOM 324 OE1 GLU A 201 13.072 25.688 -0.375 1.00 0.00 O ATOM 325 OE2 GLU A 201 15.172 25.903 0.059 1.00 0.00 O ATOM 0 H GLU A 201 11.064 21.723 -1.017 1.00 0.00 H new ATOM 0 HA GLU A 201 12.662 23.992 -1.945 1.00 0.00 H new ATOM 0 HB2 GLU A 201 12.092 23.585 0.464 1.00 0.00 H new ATOM 0 HB3 GLU A 201 12.922 22.043 0.399 1.00 0.00 H new ATOM 0 HG2 GLU A 201 14.476 23.629 1.365 1.00 0.00 H new ATOM 0 HG3 GLU A 201 15.050 23.289 -0.255 1.00 0.00 H new ATOM 332 N ILE A 202 14.556 22.865 -3.069 1.00 0.00 N ATOM 333 CA ILE A 202 15.642 22.191 -3.773 1.00 0.00 C ATOM 334 C ILE A 202 16.741 21.819 -2.786 1.00 0.00 C ATOM 335 O ILE A 202 17.156 22.617 -1.946 1.00 0.00 O ATOM 336 CB ILE A 202 16.147 23.073 -4.960 1.00 0.00 C ATOM 337 CG1 ILE A 202 16.343 22.218 -6.245 1.00 0.00 C ATOM 338 CG2 ILE A 202 17.477 23.763 -4.613 1.00 0.00 C ATOM 339 CD1 ILE A 202 16.256 23.108 -7.483 1.00 0.00 C ATOM 0 H ILE A 202 14.449 23.855 -3.289 1.00 0.00 H new ATOM 0 HA ILE A 202 15.285 21.261 -4.214 1.00 0.00 H new ATOM 0 HB ILE A 202 15.386 23.832 -5.142 1.00 0.00 H new ATOM 0 HG12 ILE A 202 17.311 21.717 -6.214 1.00 0.00 H new ATOM 0 HG13 ILE A 202 15.582 21.439 -6.293 1.00 0.00 H new ATOM 0 HG21 ILE A 202 17.803 24.370 -5.458 1.00 0.00 H new ATOM 0 HG22 ILE A 202 17.339 24.401 -3.740 1.00 0.00 H new ATOM 0 HG23 ILE A 202 18.232 23.008 -4.395 1.00 0.00 H new ATOM 0 HD11 ILE A 202 16.394 22.501 -8.378 1.00 0.00 H new ATOM 0 HD12 ILE A 202 15.278 23.588 -7.518 1.00 0.00 H new ATOM 0 HD13 ILE A 202 17.033 23.871 -7.438 1.00 0.00 H new ATOM 351 N TYR A 203 17.172 20.570 -2.896 1.00 0.00 N ATOM 352 CA TYR A 203 18.193 20.024 -2.017 1.00 0.00 C ATOM 353 C TYR A 203 18.873 18.848 -2.731 1.00 0.00 C ATOM 354 O TYR A 203 18.418 18.431 -3.797 1.00 0.00 O ATOM 355 CB TYR A 203 17.554 19.622 -0.664 1.00 0.00 C ATOM 356 CG TYR A 203 16.858 18.276 -0.753 1.00 0.00 C ATOM 357 CD1 TYR A 203 15.650 18.135 -1.457 1.00 0.00 C ATOM 358 CD2 TYR A 203 17.429 17.168 -0.128 1.00 0.00 C ATOM 359 CE1 TYR A 203 15.027 16.888 -1.536 1.00 0.00 C ATOM 360 CE2 TYR A 203 16.804 15.923 -0.197 1.00 0.00 C ATOM 361 CZ TYR A 203 15.601 15.778 -0.903 1.00 0.00 C ATOM 362 OH TYR A 203 14.987 14.544 -0.977 1.00 0.00 O ATOM 0 H TYR A 203 16.825 19.911 -3.593 1.00 0.00 H new ATOM 0 HA TYR A 203 18.959 20.766 -1.793 1.00 0.00 H new ATOM 0 HB2 TYR A 203 18.325 19.584 0.106 1.00 0.00 H new ATOM 0 HB3 TYR A 203 16.837 20.384 -0.359 1.00 0.00 H new ATOM 0 HD1 TYR A 203 15.203 18.993 -1.938 1.00 0.00 H new ATOM 0 HD2 TYR A 203 18.359 17.274 0.411 1.00 0.00 H new ATOM 0 HE1 TYR A 203 14.103 16.779 -2.085 1.00 0.00 H new ATOM 0 HE2 TYR A 203 17.247 15.069 0.294 1.00 0.00 H new ATOM 0 HH TYR A 203 14.626 14.305 -0.098 1.00 0.00 H new ATOM 372 N TYR A 204 19.988 18.350 -2.189 1.00 0.00 N ATOM 373 CA TYR A 204 20.740 17.264 -2.840 1.00 0.00 C ATOM 374 C TYR A 204 20.449 15.911 -2.161 1.00 0.00 C ATOM 375 O TYR A 204 20.223 15.858 -0.952 1.00 0.00 O ATOM 376 CB TYR A 204 22.245 17.621 -2.762 1.00 0.00 C ATOM 377 CG TYR A 204 22.658 18.494 -3.942 1.00 0.00 C ATOM 378 CD1 TYR A 204 21.908 19.634 -4.295 1.00 0.00 C ATOM 379 CD2 TYR A 204 23.812 18.170 -4.672 1.00 0.00 C ATOM 380 CE1 TYR A 204 22.313 20.433 -5.367 1.00 0.00 C ATOM 381 CE2 TYR A 204 24.210 18.973 -5.746 1.00 0.00 C ATOM 382 CZ TYR A 204 23.463 20.104 -6.092 1.00 0.00 C ATOM 383 OH TYR A 204 23.860 20.896 -7.151 1.00 0.00 O ATOM 0 H TYR A 204 20.390 18.675 -1.310 1.00 0.00 H new ATOM 0 HA TYR A 204 20.436 17.163 -3.882 1.00 0.00 H new ATOM 0 HB2 TYR A 204 22.451 18.144 -1.828 1.00 0.00 H new ATOM 0 HB3 TYR A 204 22.840 16.708 -2.754 1.00 0.00 H new ATOM 0 HD1 TYR A 204 21.020 19.890 -3.736 1.00 0.00 H new ATOM 0 HD2 TYR A 204 24.393 17.300 -4.404 1.00 0.00 H new ATOM 0 HE1 TYR A 204 21.737 21.306 -5.636 1.00 0.00 H new ATOM 0 HE2 TYR A 204 25.096 18.719 -6.309 1.00 0.00 H new ATOM 0 HH TYR A 204 23.083 21.111 -7.708 1.00 0.00 H new ATOM 393 N ILE A 205 20.428 14.821 -2.955 1.00 0.00 N ATOM 394 CA ILE A 205 20.129 13.479 -2.426 1.00 0.00 C ATOM 395 C ILE A 205 21.366 12.590 -2.431 1.00 0.00 C ATOM 396 O ILE A 205 22.059 12.479 -3.439 1.00 0.00 O ATOM 397 CB ILE A 205 19.072 12.776 -3.304 1.00 0.00 C ATOM 398 CG1 ILE A 205 17.811 13.646 -3.434 1.00 0.00 C ATOM 399 CG2 ILE A 205 18.692 11.445 -2.651 1.00 0.00 C ATOM 400 CD1 ILE A 205 16.897 13.093 -4.534 1.00 0.00 C ATOM 0 H ILE A 205 20.613 14.845 -3.958 1.00 0.00 H new ATOM 0 HA ILE A 205 19.768 13.619 -1.407 1.00 0.00 H new ATOM 0 HB ILE A 205 19.490 12.611 -4.297 1.00 0.00 H new ATOM 0 HG12 ILE A 205 17.277 13.669 -2.484 1.00 0.00 H new ATOM 0 HG13 ILE A 205 18.092 14.673 -3.667 1.00 0.00 H new ATOM 0 HG21 ILE A 205 17.945 10.939 -3.263 1.00 0.00 H new ATOM 0 HG22 ILE A 205 19.578 10.816 -2.566 1.00 0.00 H new ATOM 0 HG23 ILE A 205 18.282 11.631 -1.658 1.00 0.00 H new ATOM 0 HD11 ILE A 205 16.008 13.718 -4.616 1.00 0.00 H new ATOM 0 HD12 ILE A 205 17.430 13.094 -5.485 1.00 0.00 H new ATOM 0 HD13 ILE A 205 16.603 12.074 -4.284 1.00 0.00 H new ATOM 412 N ASN A 206 21.598 11.918 -1.304 1.00 0.00 N ATOM 413 CA ASN A 206 22.721 10.981 -1.179 1.00 0.00 C ATOM 414 C ASN A 206 22.170 9.558 -1.206 1.00 0.00 C ATOM 415 O ASN A 206 21.648 9.073 -0.204 1.00 0.00 O ATOM 416 CB ASN A 206 23.488 11.206 0.135 1.00 0.00 C ATOM 417 CG ASN A 206 24.780 10.398 0.127 1.00 0.00 C ATOM 418 OD1 ASN A 206 25.406 10.234 -0.921 1.00 0.00 O ATOM 419 ND2 ASN A 206 25.220 9.884 1.241 1.00 0.00 N ATOM 0 H ASN A 206 21.026 12.003 -0.464 1.00 0.00 H new ATOM 0 HA ASN A 206 23.412 11.144 -2.006 1.00 0.00 H new ATOM 0 HB2 ASN A 206 23.712 12.266 0.258 1.00 0.00 H new ATOM 0 HB3 ASN A 206 22.869 10.910 0.982 1.00 0.00 H new ATOM 0 HD21 ASN A 206 26.085 9.344 1.247 1.00 0.00 H new ATOM 0 HD22 ASN A 206 24.699 10.022 2.107 1.00 0.00 H new ATOM 426 N HIS A 207 22.268 8.895 -2.361 1.00 0.00 N ATOM 427 CA HIS A 207 21.751 7.532 -2.493 1.00 0.00 C ATOM 428 C HIS A 207 22.792 6.522 -2.030 1.00 0.00 C ATOM 429 O HIS A 207 22.650 5.319 -2.250 1.00 0.00 O ATOM 430 CB HIS A 207 21.355 7.260 -3.949 1.00 0.00 C ATOM 431 CG HIS A 207 20.057 7.958 -4.259 1.00 0.00 C ATOM 432 ND1 HIS A 207 18.826 7.410 -3.934 1.00 0.00 N ATOM 433 CD2 HIS A 207 19.784 9.167 -4.851 1.00 0.00 C ATOM 434 CE1 HIS A 207 17.878 8.281 -4.325 1.00 0.00 C ATOM 435 NE2 HIS A 207 18.408 9.369 -4.890 1.00 0.00 N ATOM 0 H HIS A 207 22.694 9.274 -3.207 1.00 0.00 H new ATOM 0 HA HIS A 207 20.868 7.429 -1.863 1.00 0.00 H new ATOM 0 HB2 HIS A 207 22.138 7.611 -4.621 1.00 0.00 H new ATOM 0 HB3 HIS A 207 21.251 6.188 -4.114 1.00 0.00 H new ATOM 0 HD2 HIS A 207 20.525 9.856 -5.229 1.00 0.00 H new ATOM 0 HE1 HIS A 207 16.818 8.120 -4.198 1.00 0.00 H new ATOM 0 HE2 HIS A 207 17.911 10.175 -5.269 1.00 0.00 H new ATOM 443 N LYS A 208 23.831 7.022 -1.371 1.00 0.00 N ATOM 444 CA LYS A 208 24.889 6.156 -0.856 1.00 0.00 C ATOM 445 C LYS A 208 24.471 5.572 0.490 1.00 0.00 C ATOM 446 O LYS A 208 25.057 4.601 0.969 1.00 0.00 O ATOM 447 CB LYS A 208 26.192 6.947 -0.695 1.00 0.00 C ATOM 448 CG LYS A 208 26.826 7.192 -2.070 1.00 0.00 C ATOM 449 CD LYS A 208 28.065 8.088 -1.924 1.00 0.00 C ATOM 450 CE LYS A 208 29.252 7.273 -1.400 1.00 0.00 C ATOM 451 NZ LYS A 208 30.489 8.101 -1.471 1.00 0.00 N ATOM 0 H LYS A 208 23.965 8.015 -1.181 1.00 0.00 H new ATOM 0 HA LYS A 208 25.054 5.345 -1.565 1.00 0.00 H new ATOM 0 HB2 LYS A 208 25.992 7.898 -0.202 1.00 0.00 H new ATOM 0 HB3 LYS A 208 26.885 6.398 -0.058 1.00 0.00 H new ATOM 0 HG2 LYS A 208 27.105 6.242 -2.525 1.00 0.00 H new ATOM 0 HG3 LYS A 208 26.102 7.663 -2.735 1.00 0.00 H new ATOM 0 HD2 LYS A 208 28.317 8.532 -2.887 1.00 0.00 H new ATOM 0 HD3 LYS A 208 27.850 8.910 -1.241 1.00 0.00 H new ATOM 0 HE2 LYS A 208 29.068 6.961 -0.372 1.00 0.00 H new ATOM 0 HE3 LYS A 208 29.374 6.365 -1.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 208 31.296 7.550 -1.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 208 30.666 8.377 -2.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 208 30.369 8.954 -0.889 1.00 0.00 H new ATOM 465 N ASN A 209 23.452 6.176 1.098 1.00 0.00 N ATOM 466 CA ASN A 209 22.958 5.716 2.393 1.00 0.00 C ATOM 467 C ASN A 209 21.489 6.086 2.583 1.00 0.00 C ATOM 468 O ASN A 209 20.952 5.957 3.681 1.00 0.00 O ATOM 469 CB ASN A 209 23.786 6.351 3.514 1.00 0.00 C ATOM 470 CG ASN A 209 23.898 7.856 3.289 1.00 0.00 C ATOM 471 OD1 ASN A 209 23.111 8.435 2.423 1.00 0.00 O flip ATOM 472 ND2 ASN A 209 24.715 8.520 3.926 1.00 0.00 N flip ATOM 0 H ASN A 209 22.955 6.981 0.717 1.00 0.00 H new ATOM 0 HA ASN A 209 23.051 4.631 2.427 1.00 0.00 H new ATOM 0 HB2 ASN A 209 23.320 6.153 4.479 1.00 0.00 H new ATOM 0 HB3 ASN A 209 24.780 5.904 3.542 1.00 0.00 H new ATOM 0 HD21 ASN A 209 25.328 8.063 4.602 1.00 0.00 H new ATOM 0 HD22 ASN A 209 24.779 9.527 3.779 1.00 0.00 H new ATOM 479 N LYS A 210 20.851 6.553 1.514 1.00 0.00 N ATOM 480 CA LYS A 210 19.444 6.945 1.587 1.00 0.00 C ATOM 481 C LYS A 210 19.254 8.015 2.654 1.00 0.00 C ATOM 482 O LYS A 210 18.458 7.850 3.578 1.00 0.00 O ATOM 483 CB LYS A 210 18.568 5.732 1.928 1.00 0.00 C ATOM 484 CG LYS A 210 18.767 4.599 0.907 1.00 0.00 C ATOM 485 CD LYS A 210 18.113 4.948 -0.438 1.00 0.00 C ATOM 486 CE LYS A 210 18.288 3.773 -1.402 1.00 0.00 C ATOM 487 NZ LYS A 210 17.674 4.114 -2.717 1.00 0.00 N ATOM 0 H LYS A 210 21.279 6.669 0.595 1.00 0.00 H new ATOM 0 HA LYS A 210 19.147 7.341 0.616 1.00 0.00 H new ATOM 0 HB2 LYS A 210 18.813 5.372 2.927 1.00 0.00 H new ATOM 0 HB3 LYS A 210 17.520 6.030 1.945 1.00 0.00 H new ATOM 0 HG2 LYS A 210 19.832 4.419 0.761 1.00 0.00 H new ATOM 0 HG3 LYS A 210 18.338 3.675 1.295 1.00 0.00 H new ATOM 0 HD2 LYS A 210 17.054 5.163 -0.296 1.00 0.00 H new ATOM 0 HD3 LYS A 210 18.568 5.847 -0.855 1.00 0.00 H new ATOM 0 HE2 LYS A 210 19.347 3.548 -1.530 1.00 0.00 H new ATOM 0 HE3 LYS A 210 17.820 2.879 -0.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 210 17.793 3.316 -3.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 210 16.661 4.308 -2.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 210 18.140 4.957 -3.110 1.00 0.00 H new ATOM 501 N THR A 211 19.989 9.119 2.518 1.00 0.00 N ATOM 502 CA THR A 211 19.896 10.227 3.470 1.00 0.00 C ATOM 503 C THR A 211 19.736 11.543 2.719 1.00 0.00 C ATOM 504 O THR A 211 20.055 11.632 1.532 1.00 0.00 O ATOM 505 CB THR A 211 21.154 10.287 4.342 1.00 0.00 C ATOM 506 OG1 THR A 211 22.272 10.604 3.526 1.00 0.00 O ATOM 507 CG2 THR A 211 21.377 8.934 5.026 1.00 0.00 C ATOM 0 H THR A 211 20.654 9.270 1.760 1.00 0.00 H new ATOM 0 HA THR A 211 19.028 10.065 4.109 1.00 0.00 H new ATOM 0 HB THR A 211 21.032 11.054 5.107 1.00 0.00 H new ATOM 0 HG1 THR A 211 22.389 9.907 2.847 1.00 0.00 H new ATOM 0 HG21 THR A 211 22.273 8.982 5.645 1.00 0.00 H new ATOM 0 HG22 THR A 211 20.516 8.696 5.651 1.00 0.00 H new ATOM 0 HG23 THR A 211 21.500 8.160 4.269 1.00 0.00 H new ATOM 515 N THR A 212 19.235 12.560 3.414 1.00 0.00 N ATOM 516 CA THR A 212 19.026 13.876 2.803 1.00 0.00 C ATOM 517 C THR A 212 20.064 14.868 3.334 1.00 0.00 C ATOM 518 O THR A 212 20.361 14.869 4.530 1.00 0.00 O ATOM 519 CB THR A 212 17.627 14.388 3.161 1.00 0.00 C ATOM 520 OG1 THR A 212 17.559 14.609 4.564 1.00 0.00 O ATOM 521 CG2 THR A 212 16.573 13.358 2.753 1.00 0.00 C ATOM 0 H THR A 212 18.966 12.503 4.396 1.00 0.00 H new ATOM 0 HA THR A 212 19.126 13.784 1.721 1.00 0.00 H new ATOM 0 HB THR A 212 17.435 15.320 2.629 1.00 0.00 H new ATOM 0 HG1 THR A 212 16.667 14.939 4.800 1.00 0.00 H new ATOM 0 HG21 THR A 212 15.582 13.730 3.011 1.00 0.00 H new ATOM 0 HG22 THR A 212 16.628 13.187 1.678 1.00 0.00 H new ATOM 0 HG23 THR A 212 16.757 12.421 3.279 1.00 0.00 H new ATOM 529 N SER A 213 20.619 15.721 2.464 1.00 0.00 N ATOM 530 CA SER A 213 21.618 16.705 2.926 1.00 0.00 C ATOM 531 C SER A 213 21.516 18.005 2.119 1.00 0.00 C ATOM 532 O SER A 213 21.164 17.985 0.939 1.00 0.00 O ATOM 533 CB SER A 213 23.036 16.127 2.818 1.00 0.00 C ATOM 534 OG SER A 213 23.979 17.135 3.162 1.00 0.00 O ATOM 0 H SER A 213 20.406 15.755 1.467 1.00 0.00 H new ATOM 0 HA SER A 213 21.410 16.930 3.972 1.00 0.00 H new ATOM 0 HB2 SER A 213 23.144 15.269 3.482 1.00 0.00 H new ATOM 0 HB3 SER A 213 23.220 15.770 1.805 1.00 0.00 H new ATOM 0 HG SER A 213 24.698 16.741 3.699 1.00 0.00 H new ATOM 540 N TRP A 214 21.824 19.143 2.760 1.00 0.00 N ATOM 541 CA TRP A 214 21.753 20.446 2.076 1.00 0.00 C ATOM 542 C TRP A 214 23.119 20.833 1.516 1.00 0.00 C ATOM 543 O TRP A 214 23.257 21.867 0.863 1.00 0.00 O ATOM 544 CB TRP A 214 21.262 21.547 3.031 1.00 0.00 C ATOM 545 CG TRP A 214 20.174 21.000 3.919 1.00 0.00 C ATOM 546 CD1 TRP A 214 20.373 20.395 5.122 1.00 0.00 C ATOM 547 CD2 TRP A 214 18.724 20.986 3.695 1.00 0.00 C ATOM 548 NE1 TRP A 214 19.148 20.030 5.647 1.00 0.00 N ATOM 549 CE2 TRP A 214 18.104 20.369 4.812 1.00 0.00 C ATOM 550 CE3 TRP A 214 17.888 21.447 2.651 1.00 0.00 C ATOM 551 CZ2 TRP A 214 16.717 20.216 4.885 1.00 0.00 C ATOM 552 CZ3 TRP A 214 16.496 21.290 2.729 1.00 0.00 C ATOM 553 CH2 TRP A 214 15.912 20.678 3.842 1.00 0.00 C ATOM 0 H TRP A 214 22.120 19.190 3.735 1.00 0.00 H new ATOM 0 HA TRP A 214 21.041 20.349 1.256 1.00 0.00 H new ATOM 0 HB2 TRP A 214 22.091 21.912 3.638 1.00 0.00 H new ATOM 0 HB3 TRP A 214 20.886 22.396 2.460 1.00 0.00 H new ATOM 0 HD1 TRP A 214 21.332 20.228 5.590 1.00 0.00 H new ATOM 0 HE1 TRP A 214 19.030 19.564 6.547 1.00 0.00 H new ATOM 0 HE3 TRP A 214 18.325 21.924 1.786 1.00 0.00 H new ATOM 0 HZ2 TRP A 214 16.269 19.742 5.746 1.00 0.00 H new ATOM 0 HZ3 TRP A 214 15.871 21.645 1.923 1.00 0.00 H new ATOM 0 HH2 TRP A 214 14.839 20.563 3.895 1.00 0.00 H new ATOM 564 N LEU A 215 24.127 20.006 1.788 1.00 0.00 N ATOM 565 CA LEU A 215 25.489 20.288 1.314 1.00 0.00 C ATOM 566 C LEU A 215 25.468 20.883 -0.101 1.00 0.00 C ATOM 567 O LEU A 215 24.655 20.490 -0.936 1.00 0.00 O ATOM 568 CB LEU A 215 26.386 19.022 1.374 1.00 0.00 C ATOM 569 CG LEU A 215 25.906 17.887 0.412 1.00 0.00 C ATOM 570 CD1 LEU A 215 26.491 18.055 -1.016 1.00 0.00 C ATOM 571 CD2 LEU A 215 26.368 16.523 0.976 1.00 0.00 C ATOM 0 H LEU A 215 24.033 19.145 2.327 1.00 0.00 H new ATOM 0 HA LEU A 215 25.923 21.029 1.985 1.00 0.00 H new ATOM 0 HB2 LEU A 215 27.410 19.297 1.121 1.00 0.00 H new ATOM 0 HB3 LEU A 215 26.401 18.642 2.396 1.00 0.00 H new ATOM 0 HG LEU A 215 24.819 17.940 0.346 1.00 0.00 H new ATOM 0 HD11 LEU A 215 26.133 17.246 -1.653 1.00 0.00 H new ATOM 0 HD12 LEU A 215 26.172 19.011 -1.430 1.00 0.00 H new ATOM 0 HD13 LEU A 215 27.580 18.025 -0.969 1.00 0.00 H new ATOM 0 HD21 LEU A 215 26.038 15.724 0.312 1.00 0.00 H new ATOM 0 HD22 LEU A 215 27.455 16.509 1.048 1.00 0.00 H new ATOM 0 HD23 LEU A 215 25.937 16.374 1.966 1.00 0.00 H new ATOM 583 N ASP A 216 26.339 21.869 -0.344 1.00 0.00 N ATOM 584 CA ASP A 216 26.387 22.537 -1.645 1.00 0.00 C ATOM 585 C ASP A 216 26.792 21.542 -2.741 1.00 0.00 C ATOM 586 O ASP A 216 27.083 20.384 -2.449 1.00 0.00 O ATOM 587 CB ASP A 216 27.368 23.732 -1.598 1.00 0.00 C ATOM 588 CG ASP A 216 27.611 24.171 -0.157 1.00 0.00 C ATOM 589 OD1 ASP A 216 28.526 23.646 0.455 1.00 0.00 O ATOM 590 OD2 ASP A 216 26.884 25.033 0.310 1.00 0.00 O ATOM 0 H ASP A 216 27.013 22.218 0.337 1.00 0.00 H new ATOM 0 HA ASP A 216 25.394 22.919 -1.881 1.00 0.00 H new ATOM 0 HB2 ASP A 216 28.313 23.452 -2.063 1.00 0.00 H new ATOM 0 HB3 ASP A 216 26.964 24.564 -2.174 1.00 0.00 H new ATOM 595 N PRO A 217 26.812 21.955 -3.989 1.00 0.00 N ATOM 596 CA PRO A 217 27.181 21.046 -5.118 1.00 0.00 C ATOM 597 C PRO A 217 28.582 20.455 -4.961 1.00 0.00 C ATOM 598 O PRO A 217 29.493 21.109 -4.453 1.00 0.00 O ATOM 599 CB PRO A 217 27.097 21.946 -6.364 1.00 0.00 C ATOM 600 CG PRO A 217 26.233 23.098 -5.961 1.00 0.00 C ATOM 601 CD PRO A 217 26.491 23.311 -4.472 1.00 0.00 C ATOM 0 HA PRO A 217 26.520 20.181 -5.170 1.00 0.00 H new ATOM 0 HB2 PRO A 217 28.086 22.285 -6.672 1.00 0.00 H new ATOM 0 HB3 PRO A 217 26.667 21.409 -7.209 1.00 0.00 H new ATOM 0 HG2 PRO A 217 26.482 23.992 -6.533 1.00 0.00 H new ATOM 0 HG3 PRO A 217 25.181 22.882 -6.149 1.00 0.00 H new ATOM 0 HD2 PRO A 217 27.314 24.005 -4.301 1.00 0.00 H new ATOM 0 HD3 PRO A 217 25.617 23.722 -3.967 1.00 0.00 H new ATOM 609 N ARG A 218 28.740 19.209 -5.397 1.00 0.00 N ATOM 610 CA ARG A 218 30.028 18.533 -5.295 1.00 0.00 C ATOM 611 C ARG A 218 31.081 19.178 -6.212 1.00 0.00 C ATOM 612 O ARG A 218 32.228 19.354 -5.798 1.00 0.00 O ATOM 613 CB ARG A 218 29.872 17.035 -5.642 1.00 0.00 C ATOM 614 CG ARG A 218 31.217 16.275 -5.444 1.00 0.00 C ATOM 615 CD ARG A 218 31.453 15.310 -6.613 1.00 0.00 C ATOM 616 NE ARG A 218 32.660 14.524 -6.387 1.00 0.00 N ATOM 617 CZ ARG A 218 33.861 15.006 -6.684 1.00 0.00 C ATOM 618 NH1 ARG A 218 33.976 16.203 -7.191 1.00 0.00 N ATOM 619 NH2 ARG A 218 34.927 14.285 -6.466 1.00 0.00 N ATOM 0 H ARG A 218 27.999 18.651 -5.821 1.00 0.00 H new ATOM 0 HA ARG A 218 30.374 18.633 -4.266 1.00 0.00 H new ATOM 0 HB2 ARG A 218 29.102 16.590 -5.012 1.00 0.00 H new ATOM 0 HB3 ARG A 218 29.539 16.930 -6.674 1.00 0.00 H new ATOM 0 HG2 ARG A 218 32.040 16.987 -5.378 1.00 0.00 H new ATOM 0 HG3 ARG A 218 31.197 15.723 -4.504 1.00 0.00 H new ATOM 0 HD2 ARG A 218 30.595 14.647 -6.724 1.00 0.00 H new ATOM 0 HD3 ARG A 218 31.545 15.871 -7.543 1.00 0.00 H new ATOM 0 HE ARG A 218 32.580 13.586 -5.993 1.00 0.00 H new ATOM 0 HH11 ARG A 218 33.143 16.768 -7.359 1.00 0.00 H new ATOM 0 HH12 ARG A 218 34.898 16.574 -7.419 1.00 0.00 H new ATOM 0 HH21 ARG A 218 34.838 13.350 -6.067 1.00 0.00 H new ATOM 0 HH22 ARG A 218 35.849 14.656 -6.695 1.00 0.00 H new ATOM 633 N LEU A 219 30.712 19.521 -7.456 1.00 0.00 N ATOM 634 CA LEU A 219 31.675 20.123 -8.385 1.00 0.00 C ATOM 635 C LEU A 219 30.995 21.182 -9.263 1.00 0.00 C ATOM 636 O LEU A 219 31.047 21.117 -10.491 1.00 0.00 O ATOM 637 CB LEU A 219 32.293 19.009 -9.255 1.00 0.00 C ATOM 638 CG LEU A 219 33.469 19.523 -10.112 1.00 0.00 C ATOM 639 CD1 LEU A 219 34.679 19.887 -9.228 1.00 0.00 C ATOM 640 CD2 LEU A 219 33.872 18.414 -11.093 1.00 0.00 C ATOM 0 H LEU A 219 29.773 19.395 -7.834 1.00 0.00 H new ATOM 0 HA LEU A 219 32.462 20.621 -7.819 1.00 0.00 H new ATOM 0 HB2 LEU A 219 32.640 18.200 -8.613 1.00 0.00 H new ATOM 0 HB3 LEU A 219 31.526 18.592 -9.907 1.00 0.00 H new ATOM 0 HG LEU A 219 33.157 20.420 -10.647 1.00 0.00 H new ATOM 0 HD11 LEU A 219 35.494 20.246 -9.857 1.00 0.00 H new ATOM 0 HD12 LEU A 219 34.393 20.668 -8.523 1.00 0.00 H new ATOM 0 HD13 LEU A 219 35.007 19.005 -8.679 1.00 0.00 H new ATOM 0 HD21 LEU A 219 34.703 18.758 -11.709 1.00 0.00 H new ATOM 0 HD22 LEU A 219 34.176 17.528 -10.536 1.00 0.00 H new ATOM 0 HD23 LEU A 219 33.024 18.168 -11.732 1.00 0.00 H new ATOM 652 N GLU A 220 30.360 22.164 -8.632 1.00 0.00 N ATOM 653 CA GLU A 220 29.693 23.238 -9.378 1.00 0.00 C ATOM 654 C GLU A 220 29.639 24.499 -8.520 1.00 0.00 C ATOM 655 O GLU A 220 28.562 25.006 -8.208 1.00 0.00 O ATOM 656 CB GLU A 220 28.254 22.845 -9.786 1.00 0.00 C ATOM 657 CG GLU A 220 28.236 21.655 -10.766 1.00 0.00 C ATOM 658 CD GLU A 220 26.792 21.297 -11.105 1.00 0.00 C ATOM 659 OE1 GLU A 220 25.903 21.954 -10.590 1.00 0.00 O ATOM 660 OE2 GLU A 220 26.599 20.368 -11.872 1.00 0.00 O ATOM 0 H GLU A 220 30.290 22.243 -7.617 1.00 0.00 H new ATOM 0 HA GLU A 220 30.269 23.418 -10.286 1.00 0.00 H new ATOM 0 HB2 GLU A 220 27.682 22.589 -8.894 1.00 0.00 H new ATOM 0 HB3 GLU A 220 27.761 23.701 -10.246 1.00 0.00 H new ATOM 0 HG2 GLU A 220 28.782 21.910 -11.675 1.00 0.00 H new ATOM 0 HG3 GLU A 220 28.740 20.797 -10.322 1.00 0.00 H new ATOM 667 N THR A 221 30.815 25.006 -8.157 1.00 0.00 N ATOM 668 CA THR A 221 30.905 26.220 -7.346 1.00 0.00 C ATOM 669 C THR A 221 32.362 26.670 -7.217 1.00 0.00 C ATOM 670 O THR A 221 32.768 27.208 -6.189 1.00 0.00 O ATOM 671 CB THR A 221 30.265 25.986 -5.951 1.00 0.00 C ATOM 672 OG1 THR A 221 29.739 27.215 -5.474 1.00 0.00 O ATOM 673 CG2 THR A 221 31.273 25.436 -4.907 1.00 0.00 C ATOM 0 H THR A 221 31.715 24.598 -8.410 1.00 0.00 H new ATOM 0 HA THR A 221 30.350 27.016 -7.843 1.00 0.00 H new ATOM 0 HB THR A 221 29.483 25.237 -6.076 1.00 0.00 H new ATOM 0 HG1 THR A 221 29.331 27.077 -4.594 1.00 0.00 H new ATOM 0 HG21 THR A 221 30.767 25.293 -3.952 1.00 0.00 H new ATOM 0 HG22 THR A 221 31.671 24.482 -5.253 1.00 0.00 H new ATOM 0 HG23 THR A 221 32.090 26.146 -4.781 1.00 0.00 H new ATOM 681 N ARG A 222 33.136 26.466 -8.284 1.00 0.00 N ATOM 682 CA ARG A 222 34.543 26.866 -8.288 1.00 0.00 C ATOM 683 C ARG A 222 35.162 26.635 -9.664 1.00 0.00 C ATOM 684 O ARG A 222 36.320 26.979 -9.836 1.00 0.00 O ATOM 685 CB ARG A 222 35.334 26.082 -7.221 1.00 0.00 C ATOM 686 CG ARG A 222 35.341 24.578 -7.543 1.00 0.00 C ATOM 687 CD ARG A 222 36.166 23.838 -6.488 1.00 0.00 C ATOM 688 NE ARG A 222 36.222 22.412 -6.793 1.00 0.00 N ATOM 689 CZ ARG A 222 36.981 21.591 -6.074 1.00 0.00 C ATOM 690 NH1 ARG A 222 37.672 22.065 -5.073 1.00 0.00 N ATOM 691 NH2 ARG A 222 37.027 20.320 -6.366 1.00 0.00 N ATOM 692 OXT ARG A 222 34.470 26.111 -10.521 1.00 0.00 O ATOM 0 H ARG A 222 32.816 26.030 -9.149 1.00 0.00 H new ATOM 0 HA ARG A 222 34.593 27.929 -8.052 1.00 0.00 H new ATOM 0 HB2 ARG A 222 36.358 26.453 -7.175 1.00 0.00 H new ATOM 0 HB3 ARG A 222 34.890 26.246 -6.239 1.00 0.00 H new ATOM 0 HG2 ARG A 222 34.321 24.193 -7.559 1.00 0.00 H new ATOM 0 HG3 ARG A 222 35.761 24.409 -8.534 1.00 0.00 H new ATOM 0 HD2 ARG A 222 37.175 24.249 -6.453 1.00 0.00 H new ATOM 0 HD3 ARG A 222 35.726 23.988 -5.502 1.00 0.00 H new ATOM 0 HE ARG A 222 35.672 22.041 -7.568 1.00 0.00 H new ATOM 0 HH11 ARG A 222 37.627 23.059 -4.847 1.00 0.00 H new ATOM 0 HH12 ARG A 222 38.257 21.442 -4.516 1.00 0.00 H new ATOM 0 HH21 ARG A 222 36.480 19.956 -7.146 1.00 0.00 H new ATOM 0 HH22 ARG A 222 37.610 19.691 -5.814 1.00 0.00 H new TER 706 ARG A 222