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 209 ASN : amide:sc= -7! C(o=-7.1!,f=1.4!) USER MOD Set 1.2: A 211 THR OG1 : rot 180:sc= -0.064 USER MOD Set 2.1: A 194 GLN : amide:sc= -1.31! C(o=-0.87!,f=-5.2!) USER MOD Set 2.2: A 204 TYR OH : rot -63:sc= 0.432 USER MOD Single : A 178 SER OG : rot 180:sc= -1.08 USER MOD Single : A 180 ASN : amide:sc= -3.72! K(o=-3.7!,f=-2.2) USER MOD Single : A 181 SER OG : rot 180:sc= 0 USER MOD Single : A 182 SER OG : rot -131:sc= -4.81! USER MOD Single : A 185 SER OG : rot -98:sc= 1.1 USER MOD Single : A 197 THR OG1 : rot -170:sc= -0.0293 USER MOD Single : A 203 TYR OH : rot 180:sc= -0.266 USER MOD Single : A 206 ASN : amide:sc= -1.7 K(o=-1.7,f=-6.7!) USER MOD Single : A 207 HIS : no HD1:sc= -0.0688 X(o=-0.069,f=-0.092) USER MOD Single : A 208 LYS NZ :NH3+ -153:sc= -2.06! (180deg=-3!) USER MOD Single : A 210 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 212 THR OG1 : rot 180:sc=-0.000387 USER MOD Single : A 213 SER OG : rot -150:sc= -0.151 USER MOD Single : A 221 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 177 26.764 21.659 -23.398 1.00 0.00 N ATOM 2 CA GLY A 177 28.059 20.923 -23.370 1.00 0.00 C ATOM 3 C GLY A 177 27.787 19.424 -23.429 1.00 0.00 C ATOM 4 O GLY A 177 28.576 18.618 -22.936 1.00 0.00 O ATOM 0 HA2 GLY A 177 28.681 21.225 -24.213 1.00 0.00 H new ATOM 0 HA3 GLY A 177 28.611 21.169 -22.463 1.00 0.00 H new ATOM 10 N SER A 178 26.657 19.074 -24.035 1.00 0.00 N ATOM 11 CA SER A 178 26.238 17.678 -24.176 1.00 0.00 C ATOM 12 C SER A 178 27.427 16.705 -24.229 1.00 0.00 C ATOM 13 O SER A 178 27.536 15.818 -23.382 1.00 0.00 O ATOM 14 CB SER A 178 25.376 17.528 -25.441 1.00 0.00 C ATOM 15 OG SER A 178 25.595 18.647 -26.290 1.00 0.00 O ATOM 0 H SER A 178 26.006 19.745 -24.442 1.00 0.00 H new ATOM 0 HA SER A 178 25.657 17.419 -23.291 1.00 0.00 H new ATOM 0 HB2 SER A 178 25.631 16.605 -25.962 1.00 0.00 H new ATOM 0 HB3 SER A 178 24.322 17.461 -25.172 1.00 0.00 H new ATOM 0 HG SER A 178 25.049 18.556 -27.099 1.00 0.00 H new ATOM 21 N PRO A 179 28.298 16.828 -25.203 1.00 0.00 N ATOM 22 CA PRO A 179 29.465 15.910 -25.345 1.00 0.00 C ATOM 23 C PRO A 179 30.185 15.663 -24.016 1.00 0.00 C ATOM 24 O PRO A 179 30.654 14.554 -23.763 1.00 0.00 O ATOM 25 CB PRO A 179 30.386 16.615 -26.369 1.00 0.00 C ATOM 26 CG PRO A 179 29.758 17.952 -26.647 1.00 0.00 C ATOM 27 CD PRO A 179 28.283 17.830 -26.274 1.00 0.00 C ATOM 0 HA PRO A 179 29.156 14.918 -25.673 1.00 0.00 H new ATOM 0 HB2 PRO A 179 31.393 16.734 -25.970 1.00 0.00 H new ATOM 0 HB3 PRO A 179 30.473 16.028 -27.283 1.00 0.00 H new ATOM 0 HG2 PRO A 179 30.241 18.735 -26.063 1.00 0.00 H new ATOM 0 HG3 PRO A 179 29.871 18.222 -27.697 1.00 0.00 H new ATOM 0 HD2 PRO A 179 27.873 18.780 -25.932 1.00 0.00 H new ATOM 0 HD3 PRO A 179 27.677 17.507 -27.121 1.00 0.00 H new ATOM 35 N ASN A 180 30.269 16.688 -23.170 1.00 0.00 N ATOM 36 CA ASN A 180 30.935 16.535 -21.876 1.00 0.00 C ATOM 37 C ASN A 180 31.089 17.887 -21.173 1.00 0.00 C ATOM 38 O ASN A 180 31.006 17.969 -19.951 1.00 0.00 O ATOM 39 CB ASN A 180 32.327 15.886 -22.072 1.00 0.00 C ATOM 40 CG ASN A 180 32.328 14.420 -21.623 1.00 0.00 C ATOM 41 OD1 ASN A 180 33.385 13.870 -21.316 1.00 0.00 O ATOM 42 ND2 ASN A 180 31.206 13.753 -21.567 1.00 0.00 N ATOM 0 H ASN A 180 29.892 17.618 -23.351 1.00 0.00 H new ATOM 0 HA ASN A 180 30.318 15.891 -21.250 1.00 0.00 H new ATOM 0 HB2 ASN A 180 32.614 15.947 -23.122 1.00 0.00 H new ATOM 0 HB3 ASN A 180 33.073 16.443 -21.505 1.00 0.00 H new ATOM 0 HD21 ASN A 180 31.207 12.777 -21.269 1.00 0.00 H new ATOM 0 HD22 ASN A 180 30.329 14.208 -21.821 1.00 0.00 H new ATOM 49 N SER A 181 31.335 18.932 -21.949 1.00 0.00 N ATOM 50 CA SER A 181 31.534 20.266 -21.388 1.00 0.00 C ATOM 51 C SER A 181 30.582 20.559 -20.223 1.00 0.00 C ATOM 52 O SER A 181 30.998 21.146 -19.224 1.00 0.00 O ATOM 53 CB SER A 181 31.361 21.322 -22.486 1.00 0.00 C ATOM 54 OG SER A 181 30.779 22.495 -21.931 1.00 0.00 O ATOM 0 H SER A 181 31.402 18.886 -22.966 1.00 0.00 H new ATOM 0 HA SER A 181 32.549 20.305 -20.991 1.00 0.00 H new ATOM 0 HB2 SER A 181 32.327 21.559 -22.932 1.00 0.00 H new ATOM 0 HB3 SER A 181 30.728 20.932 -23.283 1.00 0.00 H new ATOM 0 HG SER A 181 30.670 23.170 -22.633 1.00 0.00 H new ATOM 60 N SER A 182 29.310 20.171 -20.338 1.00 0.00 N ATOM 61 CA SER A 182 28.357 20.437 -19.253 1.00 0.00 C ATOM 62 C SER A 182 28.362 19.298 -18.226 1.00 0.00 C ATOM 63 O SER A 182 28.760 19.508 -17.080 1.00 0.00 O ATOM 64 CB SER A 182 26.941 20.670 -19.813 1.00 0.00 C ATOM 65 OG SER A 182 26.854 20.120 -21.119 1.00 0.00 O ATOM 0 H SER A 182 28.922 19.685 -21.146 1.00 0.00 H new ATOM 0 HA SER A 182 28.672 21.347 -18.743 1.00 0.00 H new ATOM 0 HB2 SER A 182 26.200 20.207 -19.162 1.00 0.00 H new ATOM 0 HB3 SER A 182 26.720 21.737 -19.840 1.00 0.00 H new ATOM 0 HG SER A 182 26.459 20.780 -21.726 1.00 0.00 H new ATOM 71 N PRO A 183 27.942 18.109 -18.593 1.00 0.00 N ATOM 72 CA PRO A 183 27.928 16.954 -17.646 1.00 0.00 C ATOM 73 C PRO A 183 29.340 16.536 -17.220 1.00 0.00 C ATOM 74 O PRO A 183 29.609 15.357 -16.990 1.00 0.00 O ATOM 75 CB PRO A 183 27.217 15.835 -18.425 1.00 0.00 C ATOM 76 CG PRO A 183 27.355 16.203 -19.868 1.00 0.00 C ATOM 77 CD PRO A 183 27.432 17.730 -19.923 1.00 0.00 C ATOM 0 HA PRO A 183 27.422 17.200 -16.713 1.00 0.00 H new ATOM 0 HB2 PRO A 183 27.672 14.865 -18.222 1.00 0.00 H new ATOM 0 HB3 PRO A 183 26.168 15.762 -18.137 1.00 0.00 H new ATOM 0 HG2 PRO A 183 28.250 15.754 -20.299 1.00 0.00 H new ATOM 0 HG3 PRO A 183 26.506 15.837 -20.444 1.00 0.00 H new ATOM 0 HD2 PRO A 183 28.098 18.068 -20.717 1.00 0.00 H new ATOM 0 HD3 PRO A 183 26.455 18.172 -20.117 1.00 0.00 H new ATOM 85 N ALA A 184 30.231 17.518 -17.098 1.00 0.00 N ATOM 86 CA ALA A 184 31.608 17.262 -16.675 1.00 0.00 C ATOM 87 C ALA A 184 32.062 18.372 -15.738 1.00 0.00 C ATOM 88 O ALA A 184 33.031 18.218 -14.994 1.00 0.00 O ATOM 89 CB ALA A 184 32.548 17.195 -17.879 1.00 0.00 C ATOM 0 H ALA A 184 30.025 18.499 -17.286 1.00 0.00 H new ATOM 0 HA ALA A 184 31.639 16.302 -16.161 1.00 0.00 H new ATOM 0 HB1 ALA A 184 33.565 17.004 -17.536 1.00 0.00 H new ATOM 0 HB2 ALA A 184 32.232 16.391 -18.543 1.00 0.00 H new ATOM 0 HB3 ALA A 184 32.518 18.143 -18.417 1.00 0.00 H new ATOM 95 N SER A 185 31.337 19.489 -15.773 1.00 0.00 N ATOM 96 CA SER A 185 31.645 20.631 -14.915 1.00 0.00 C ATOM 97 C SER A 185 30.618 20.722 -13.792 1.00 0.00 C ATOM 98 O SER A 185 30.799 21.465 -12.827 1.00 0.00 O ATOM 99 CB SER A 185 31.623 21.921 -15.736 1.00 0.00 C ATOM 100 OG SER A 185 30.483 21.917 -16.586 1.00 0.00 O ATOM 0 H SER A 185 30.533 19.627 -16.386 1.00 0.00 H new ATOM 0 HA SER A 185 32.638 20.496 -14.487 1.00 0.00 H new ATOM 0 HB2 SER A 185 31.594 22.787 -15.074 1.00 0.00 H new ATOM 0 HB3 SER A 185 32.533 22.004 -16.330 1.00 0.00 H new ATOM 0 HG SER A 185 30.745 21.623 -17.483 1.00 0.00 H new ATOM 106 N GLY A 186 29.543 19.951 -13.926 1.00 0.00 N ATOM 107 CA GLY A 186 28.488 19.934 -12.921 1.00 0.00 C ATOM 108 C GLY A 186 27.665 18.649 -13.007 1.00 0.00 C ATOM 109 O GLY A 186 26.436 18.685 -12.950 1.00 0.00 O ATOM 0 H GLY A 186 29.381 19.331 -14.720 1.00 0.00 H new ATOM 0 HA2 GLY A 186 28.927 20.022 -11.927 1.00 0.00 H new ATOM 0 HA3 GLY A 186 27.836 20.797 -13.059 1.00 0.00 H new ATOM 113 N PRO A 187 28.318 17.522 -13.141 1.00 0.00 N ATOM 114 CA PRO A 187 27.643 16.190 -13.234 1.00 0.00 C ATOM 115 C PRO A 187 27.112 15.719 -11.884 1.00 0.00 C ATOM 116 O PRO A 187 27.376 16.334 -10.851 1.00 0.00 O ATOM 117 CB PRO A 187 28.763 15.270 -13.720 1.00 0.00 C ATOM 118 CG PRO A 187 29.995 15.870 -13.137 1.00 0.00 C ATOM 119 CD PRO A 187 29.784 17.380 -13.221 1.00 0.00 C ATOM 0 HA PRO A 187 26.772 16.211 -13.890 1.00 0.00 H new ATOM 0 HB2 PRO A 187 28.616 14.246 -13.377 1.00 0.00 H new ATOM 0 HB3 PRO A 187 28.810 15.238 -14.809 1.00 0.00 H new ATOM 0 HG2 PRO A 187 30.139 15.549 -12.105 1.00 0.00 H new ATOM 0 HG3 PRO A 187 30.882 15.565 -13.692 1.00 0.00 H new ATOM 0 HD2 PRO A 187 30.284 17.902 -12.405 1.00 0.00 H new ATOM 0 HD3 PRO A 187 30.178 17.790 -14.151 1.00 0.00 H new ATOM 127 N LEU A 188 26.377 14.610 -11.905 1.00 0.00 N ATOM 128 CA LEU A 188 25.825 14.038 -10.680 1.00 0.00 C ATOM 129 C LEU A 188 26.222 12.565 -10.573 1.00 0.00 C ATOM 130 O LEU A 188 25.494 11.686 -11.035 1.00 0.00 O ATOM 131 CB LEU A 188 24.298 14.151 -10.701 1.00 0.00 C ATOM 132 CG LEU A 188 23.893 15.636 -10.738 1.00 0.00 C ATOM 133 CD1 LEU A 188 24.059 16.219 -12.161 1.00 0.00 C ATOM 134 CD2 LEU A 188 22.435 15.768 -10.282 1.00 0.00 C ATOM 0 H LEU A 188 26.150 14.091 -12.753 1.00 0.00 H new ATOM 0 HA LEU A 188 26.219 14.583 -9.822 1.00 0.00 H new ATOM 0 HB2 LEU A 188 23.896 13.632 -11.571 1.00 0.00 H new ATOM 0 HB3 LEU A 188 23.875 13.670 -9.819 1.00 0.00 H new ATOM 0 HG LEU A 188 24.543 16.198 -10.067 1.00 0.00 H new ATOM 0 HD11 LEU A 188 23.766 17.269 -12.160 1.00 0.00 H new ATOM 0 HD12 LEU A 188 25.101 16.133 -12.470 1.00 0.00 H new ATOM 0 HD13 LEU A 188 23.427 15.667 -12.856 1.00 0.00 H new ATOM 0 HD21 LEU A 188 22.140 16.817 -10.305 1.00 0.00 H new ATOM 0 HD22 LEU A 188 21.792 15.195 -10.950 1.00 0.00 H new ATOM 0 HD23 LEU A 188 22.335 15.386 -9.266 1.00 0.00 H new ATOM 146 N PRO A 189 27.351 12.279 -9.972 1.00 0.00 N ATOM 147 CA PRO A 189 27.838 10.877 -9.804 1.00 0.00 C ATOM 148 C PRO A 189 26.866 10.023 -8.995 1.00 0.00 C ATOM 149 O PRO A 189 26.200 10.515 -8.083 1.00 0.00 O ATOM 150 CB PRO A 189 29.184 11.030 -9.072 1.00 0.00 C ATOM 151 CG PRO A 189 29.591 12.453 -9.279 1.00 0.00 C ATOM 152 CD PRO A 189 28.295 13.250 -9.399 1.00 0.00 C ATOM 0 HA PRO A 189 27.933 10.364 -10.761 1.00 0.00 H new ATOM 0 HB2 PRO A 189 29.082 10.801 -8.011 1.00 0.00 H new ATOM 0 HB3 PRO A 189 29.930 10.346 -9.475 1.00 0.00 H new ATOM 0 HG2 PRO A 189 30.193 12.812 -8.444 1.00 0.00 H new ATOM 0 HG3 PRO A 189 30.198 12.558 -10.178 1.00 0.00 H new ATOM 0 HD2 PRO A 189 27.957 13.616 -8.429 1.00 0.00 H new ATOM 0 HD3 PRO A 189 28.417 14.121 -10.043 1.00 0.00 H new ATOM 160 N GLU A 190 26.800 8.743 -9.333 1.00 0.00 N ATOM 161 CA GLU A 190 25.917 7.821 -8.632 1.00 0.00 C ATOM 162 C GLU A 190 26.099 7.959 -7.125 1.00 0.00 C ATOM 163 O GLU A 190 27.173 7.681 -6.591 1.00 0.00 O ATOM 164 CB GLU A 190 26.232 6.389 -9.069 1.00 0.00 C ATOM 165 CG GLU A 190 25.789 6.196 -10.521 1.00 0.00 C ATOM 166 CD GLU A 190 26.406 4.924 -11.092 1.00 0.00 C ATOM 167 OE1 GLU A 190 26.827 4.090 -10.309 1.00 0.00 O ATOM 168 OE2 GLU A 190 26.462 4.811 -12.306 1.00 0.00 O ATOM 0 H GLU A 190 27.345 8.320 -10.085 1.00 0.00 H new ATOM 0 HA GLU A 190 24.882 8.057 -8.878 1.00 0.00 H new ATOM 0 HB2 GLU A 190 27.300 6.194 -8.973 1.00 0.00 H new ATOM 0 HB3 GLU A 190 25.719 5.678 -8.422 1.00 0.00 H new ATOM 0 HG2 GLU A 190 24.702 6.137 -10.573 1.00 0.00 H new ATOM 0 HG3 GLU A 190 26.091 7.056 -11.119 1.00 0.00 H new ATOM 175 N GLY A 191 25.041 8.397 -6.444 1.00 0.00 N ATOM 176 CA GLY A 191 25.086 8.582 -4.993 1.00 0.00 C ATOM 177 C GLY A 191 24.831 10.040 -4.624 1.00 0.00 C ATOM 178 O GLY A 191 24.862 10.407 -3.450 1.00 0.00 O ATOM 0 H GLY A 191 24.145 8.630 -6.871 1.00 0.00 H new ATOM 0 HA2 GLY A 191 24.339 7.946 -4.518 1.00 0.00 H new ATOM 0 HA3 GLY A 191 26.059 8.271 -4.612 1.00 0.00 H new ATOM 182 N TRP A 192 24.580 10.867 -5.636 1.00 0.00 N ATOM 183 CA TRP A 192 24.322 12.286 -5.408 1.00 0.00 C ATOM 184 C TRP A 192 23.479 12.865 -6.538 1.00 0.00 C ATOM 185 O TRP A 192 24.013 13.426 -7.493 1.00 0.00 O ATOM 186 CB TRP A 192 25.646 13.049 -5.326 1.00 0.00 C ATOM 187 CG TRP A 192 26.429 12.570 -4.146 1.00 0.00 C ATOM 188 CD1 TRP A 192 27.451 11.685 -4.202 1.00 0.00 C ATOM 189 CD2 TRP A 192 26.278 12.935 -2.744 1.00 0.00 C ATOM 190 NE1 TRP A 192 27.934 11.481 -2.922 1.00 0.00 N ATOM 191 CE2 TRP A 192 27.245 12.230 -1.989 1.00 0.00 C ATOM 192 CE3 TRP A 192 25.405 13.800 -2.061 1.00 0.00 C ATOM 193 CZ2 TRP A 192 27.341 12.377 -0.605 1.00 0.00 C ATOM 194 CZ3 TRP A 192 25.499 13.951 -0.668 1.00 0.00 C ATOM 195 CH2 TRP A 192 26.465 13.241 0.058 1.00 0.00 C ATOM 0 H TRP A 192 24.550 10.582 -6.615 1.00 0.00 H new ATOM 0 HA TRP A 192 23.778 12.390 -4.469 1.00 0.00 H new ATOM 0 HB2 TRP A 192 26.220 12.900 -6.241 1.00 0.00 H new ATOM 0 HB3 TRP A 192 25.456 14.119 -5.239 1.00 0.00 H new ATOM 0 HD1 TRP A 192 27.828 11.215 -5.099 1.00 0.00 H new ATOM 0 HE1 TRP A 192 28.705 10.853 -2.695 1.00 0.00 H new ATOM 0 HE3 TRP A 192 24.657 14.352 -2.611 1.00 0.00 H new ATOM 0 HZ2 TRP A 192 28.087 11.827 -0.050 1.00 0.00 H new ATOM 0 HZ3 TRP A 192 24.823 14.618 -0.153 1.00 0.00 H new ATOM 0 HH2 TRP A 192 26.532 13.361 1.129 1.00 0.00 H new ATOM 206 N GLU A 193 22.157 12.728 -6.424 1.00 0.00 N ATOM 207 CA GLU A 193 21.246 13.246 -7.448 1.00 0.00 C ATOM 208 C GLU A 193 20.449 14.429 -6.904 1.00 0.00 C ATOM 209 O GLU A 193 19.920 14.377 -5.794 1.00 0.00 O ATOM 210 CB GLU A 193 20.287 12.141 -7.898 1.00 0.00 C ATOM 211 CG GLU A 193 19.495 12.619 -9.117 1.00 0.00 C ATOM 212 CD GLU A 193 18.603 11.495 -9.633 1.00 0.00 C ATOM 213 OE1 GLU A 193 19.117 10.412 -9.859 1.00 0.00 O ATOM 214 OE2 GLU A 193 17.417 11.733 -9.795 1.00 0.00 O ATOM 0 H GLU A 193 21.695 12.267 -5.640 1.00 0.00 H new ATOM 0 HA GLU A 193 21.836 13.583 -8.301 1.00 0.00 H new ATOM 0 HB2 GLU A 193 20.846 11.238 -8.145 1.00 0.00 H new ATOM 0 HB3 GLU A 193 19.606 11.883 -7.087 1.00 0.00 H new ATOM 0 HG2 GLU A 193 18.887 13.483 -8.850 1.00 0.00 H new ATOM 0 HG3 GLU A 193 20.179 12.941 -9.902 1.00 0.00 H new ATOM 221 N GLN A 194 20.376 15.498 -7.693 1.00 0.00 N ATOM 222 CA GLN A 194 19.651 16.699 -7.288 1.00 0.00 C ATOM 223 C GLN A 194 18.161 16.560 -7.588 1.00 0.00 C ATOM 224 O GLN A 194 17.773 15.991 -8.608 1.00 0.00 O ATOM 225 CB GLN A 194 20.217 17.914 -8.025 1.00 0.00 C ATOM 226 CG GLN A 194 19.431 19.170 -7.642 1.00 0.00 C ATOM 227 CD GLN A 194 20.096 20.400 -8.249 1.00 0.00 C ATOM 228 OE1 GLN A 194 21.315 20.434 -8.409 1.00 0.00 O ATOM 229 NE2 GLN A 194 19.359 21.415 -8.604 1.00 0.00 N ATOM 0 H GLN A 194 20.809 15.557 -8.615 1.00 0.00 H new ATOM 0 HA GLN A 194 19.774 16.833 -6.213 1.00 0.00 H new ATOM 0 HB2 GLN A 194 21.270 18.043 -7.775 1.00 0.00 H new ATOM 0 HB3 GLN A 194 20.162 17.755 -9.102 1.00 0.00 H new ATOM 0 HG2 GLN A 194 18.403 19.089 -7.996 1.00 0.00 H new ATOM 0 HG3 GLN A 194 19.388 19.267 -6.557 1.00 0.00 H new ATOM 0 HE21 GLN A 194 18.348 21.383 -8.470 1.00 0.00 H new ATOM 0 HE22 GLN A 194 19.793 22.241 -9.016 1.00 0.00 H new ATOM 238 N ALA A 195 17.335 17.087 -6.691 1.00 0.00 N ATOM 239 CA ALA A 195 15.888 17.024 -6.862 1.00 0.00 C ATOM 240 C ALA A 195 15.198 17.984 -5.901 1.00 0.00 C ATOM 241 O ALA A 195 15.852 18.803 -5.254 1.00 0.00 O ATOM 242 CB ALA A 195 15.392 15.600 -6.605 1.00 0.00 C ATOM 0 H ALA A 195 17.641 17.561 -5.841 1.00 0.00 H new ATOM 0 HA ALA A 195 15.648 17.312 -7.885 1.00 0.00 H new ATOM 0 HB1 ALA A 195 14.310 15.562 -6.735 1.00 0.00 H new ATOM 0 HB2 ALA A 195 15.866 14.917 -7.310 1.00 0.00 H new ATOM 0 HB3 ALA A 195 15.646 15.305 -5.587 1.00 0.00 H new ATOM 248 N ILE A 196 13.873 17.878 -5.808 1.00 0.00 N ATOM 249 CA ILE A 196 13.099 18.744 -4.915 1.00 0.00 C ATOM 250 C ILE A 196 12.256 17.913 -3.950 1.00 0.00 C ATOM 251 O ILE A 196 11.747 16.850 -4.308 1.00 0.00 O ATOM 252 CB ILE A 196 12.186 19.676 -5.729 1.00 0.00 C ATOM 253 CG1 ILE A 196 11.034 18.887 -6.378 1.00 0.00 C ATOM 254 CG2 ILE A 196 13.001 20.370 -6.823 1.00 0.00 C ATOM 255 CD1 ILE A 196 11.574 17.746 -7.251 1.00 0.00 C ATOM 0 H ILE A 196 13.315 17.207 -6.335 1.00 0.00 H new ATOM 0 HA ILE A 196 13.801 19.346 -4.338 1.00 0.00 H new ATOM 0 HB ILE A 196 11.764 20.418 -5.052 1.00 0.00 H new ATOM 0 HG12 ILE A 196 10.384 18.481 -5.603 1.00 0.00 H new ATOM 0 HG13 ILE A 196 10.425 19.558 -6.985 1.00 0.00 H new ATOM 0 HG21 ILE A 196 12.351 21.030 -7.398 1.00 0.00 H new ATOM 0 HG22 ILE A 196 13.799 20.955 -6.366 1.00 0.00 H new ATOM 0 HG23 ILE A 196 13.434 19.620 -7.485 1.00 0.00 H new ATOM 0 HD11 ILE A 196 10.741 17.204 -7.698 1.00 0.00 H new ATOM 0 HD12 ILE A 196 12.204 18.158 -8.040 1.00 0.00 H new ATOM 0 HD13 ILE A 196 12.162 17.064 -6.636 1.00 0.00 H new ATOM 267 N THR A 197 12.106 18.412 -2.728 1.00 0.00 N ATOM 268 CA THR A 197 11.315 17.719 -1.717 1.00 0.00 C ATOM 269 C THR A 197 9.829 17.980 -1.963 1.00 0.00 C ATOM 270 O THR A 197 9.473 18.967 -2.606 1.00 0.00 O ATOM 271 CB THR A 197 11.701 18.229 -0.313 1.00 0.00 C ATOM 272 OG1 THR A 197 12.121 19.582 -0.411 1.00 0.00 O ATOM 273 CG2 THR A 197 12.842 17.388 0.271 1.00 0.00 C ATOM 0 H THR A 197 12.520 19.290 -2.414 1.00 0.00 H new ATOM 0 HA THR A 197 11.512 16.649 -1.778 1.00 0.00 H new ATOM 0 HB THR A 197 10.834 18.148 0.343 1.00 0.00 H new ATOM 0 HG1 THR A 197 12.516 19.865 0.440 1.00 0.00 H new ATOM 0 HG21 THR A 197 13.100 17.763 1.261 1.00 0.00 H new ATOM 0 HG22 THR A 197 12.525 16.348 0.348 1.00 0.00 H new ATOM 0 HG23 THR A 197 13.713 17.454 -0.381 1.00 0.00 H new ATOM 281 N PRO A 198 8.958 17.145 -1.455 1.00 0.00 N ATOM 282 CA PRO A 198 7.494 17.346 -1.629 1.00 0.00 C ATOM 283 C PRO A 198 7.099 18.792 -1.333 1.00 0.00 C ATOM 284 O PRO A 198 6.211 19.350 -1.978 1.00 0.00 O ATOM 285 CB PRO A 198 6.873 16.384 -0.609 1.00 0.00 C ATOM 286 CG PRO A 198 7.879 15.291 -0.441 1.00 0.00 C ATOM 287 CD PRO A 198 9.256 15.925 -0.677 1.00 0.00 C ATOM 0 HA PRO A 198 7.159 17.154 -2.648 1.00 0.00 H new ATOM 0 HB2 PRO A 198 6.676 16.887 0.338 1.00 0.00 H new ATOM 0 HB3 PRO A 198 5.921 15.992 -0.966 1.00 0.00 H new ATOM 0 HG2 PRO A 198 7.818 14.858 0.557 1.00 0.00 H new ATOM 0 HG3 PRO A 198 7.697 14.484 -1.151 1.00 0.00 H new ATOM 0 HD2 PRO A 198 9.753 16.163 0.264 1.00 0.00 H new ATOM 0 HD3 PRO A 198 9.916 15.253 -1.225 1.00 0.00 H new ATOM 295 N GLU A 199 7.773 19.388 -0.354 1.00 0.00 N ATOM 296 CA GLU A 199 7.497 20.768 0.028 1.00 0.00 C ATOM 297 C GLU A 199 7.810 21.717 -1.127 1.00 0.00 C ATOM 298 O GLU A 199 7.227 22.796 -1.230 1.00 0.00 O ATOM 299 CB GLU A 199 8.337 21.147 1.249 1.00 0.00 C ATOM 300 CG GLU A 199 7.966 22.558 1.710 1.00 0.00 C ATOM 301 CD GLU A 199 8.761 22.923 2.958 1.00 0.00 C ATOM 302 OE1 GLU A 199 9.329 22.026 3.559 1.00 0.00 O ATOM 303 OE2 GLU A 199 8.791 24.096 3.295 1.00 0.00 O ATOM 0 H GLU A 199 8.512 18.939 0.187 1.00 0.00 H new ATOM 0 HA GLU A 199 6.439 20.855 0.275 1.00 0.00 H new ATOM 0 HB2 GLU A 199 8.167 20.434 2.055 1.00 0.00 H new ATOM 0 HB3 GLU A 199 9.398 21.102 1.002 1.00 0.00 H new ATOM 0 HG2 GLU A 199 8.171 23.275 0.915 1.00 0.00 H new ATOM 0 HG3 GLU A 199 6.898 22.612 1.920 1.00 0.00 H new ATOM 310 N GLY A 200 8.731 21.306 -1.998 1.00 0.00 N ATOM 311 CA GLY A 200 9.113 22.126 -3.151 1.00 0.00 C ATOM 312 C GLY A 200 10.515 22.709 -2.983 1.00 0.00 C ATOM 313 O GLY A 200 11.067 23.289 -3.917 1.00 0.00 O ATOM 0 H GLY A 200 9.225 20.416 -1.930 1.00 0.00 H new ATOM 0 HA2 GLY A 200 9.075 21.522 -4.057 1.00 0.00 H new ATOM 0 HA3 GLY A 200 8.394 22.935 -3.278 1.00 0.00 H new ATOM 317 N GLU A 201 11.089 22.550 -1.794 1.00 0.00 N ATOM 318 CA GLU A 201 12.431 23.066 -1.535 1.00 0.00 C ATOM 319 C GLU A 201 13.465 22.223 -2.282 1.00 0.00 C ATOM 320 O GLU A 201 13.357 20.998 -2.333 1.00 0.00 O ATOM 321 CB GLU A 201 12.715 23.043 -0.031 1.00 0.00 C ATOM 322 CG GLU A 201 14.031 23.768 0.260 1.00 0.00 C ATOM 323 CD GLU A 201 14.264 23.833 1.766 1.00 0.00 C ATOM 324 OE1 GLU A 201 13.568 23.132 2.483 1.00 0.00 O ATOM 325 OE2 GLU A 201 15.136 24.578 2.180 1.00 0.00 O ATOM 0 H GLU A 201 10.654 22.075 -1.004 1.00 0.00 H new ATOM 0 HA GLU A 201 12.495 24.095 -1.889 1.00 0.00 H new ATOM 0 HB2 GLU A 201 11.898 23.521 0.510 1.00 0.00 H new ATOM 0 HB3 GLU A 201 12.771 22.013 0.322 1.00 0.00 H new ATOM 0 HG2 GLU A 201 14.858 23.247 -0.223 1.00 0.00 H new ATOM 0 HG3 GLU A 201 14.002 24.775 -0.156 1.00 0.00 H new ATOM 332 N ILE A 202 14.454 22.885 -2.882 1.00 0.00 N ATOM 333 CA ILE A 202 15.485 22.179 -3.646 1.00 0.00 C ATOM 334 C ILE A 202 16.586 21.646 -2.726 1.00 0.00 C ATOM 335 O ILE A 202 17.061 22.352 -1.836 1.00 0.00 O ATOM 336 CB ILE A 202 16.074 23.127 -4.704 1.00 0.00 C ATOM 337 CG1 ILE A 202 16.768 22.318 -5.805 1.00 0.00 C ATOM 338 CG2 ILE A 202 17.091 24.075 -4.058 1.00 0.00 C ATOM 339 CD1 ILE A 202 17.079 23.238 -6.986 1.00 0.00 C ATOM 0 H ILE A 202 14.564 23.899 -2.855 1.00 0.00 H new ATOM 0 HA ILE A 202 15.030 21.322 -4.143 1.00 0.00 H new ATOM 0 HB ILE A 202 15.261 23.710 -5.137 1.00 0.00 H new ATOM 0 HG12 ILE A 202 17.687 21.875 -5.422 1.00 0.00 H new ATOM 0 HG13 ILE A 202 16.128 21.497 -6.127 1.00 0.00 H new ATOM 0 HG21 ILE A 202 17.501 24.741 -4.817 1.00 0.00 H new ATOM 0 HG22 ILE A 202 16.598 24.665 -3.285 1.00 0.00 H new ATOM 0 HG23 ILE A 202 17.898 23.494 -3.612 1.00 0.00 H new ATOM 0 HD11 ILE A 202 17.573 22.667 -7.772 1.00 0.00 H new ATOM 0 HD12 ILE A 202 16.151 23.660 -7.373 1.00 0.00 H new ATOM 0 HD13 ILE A 202 17.735 24.044 -6.657 1.00 0.00 H new ATOM 351 N TYR A 203 16.976 20.388 -2.942 1.00 0.00 N ATOM 352 CA TYR A 203 18.009 19.758 -2.119 1.00 0.00 C ATOM 353 C TYR A 203 18.680 18.597 -2.863 1.00 0.00 C ATOM 354 O TYR A 203 18.220 18.180 -3.926 1.00 0.00 O ATOM 355 CB TYR A 203 17.389 19.259 -0.805 1.00 0.00 C ATOM 356 CG TYR A 203 16.696 17.923 -1.010 1.00 0.00 C ATOM 357 CD1 TYR A 203 15.730 17.774 -2.016 1.00 0.00 C ATOM 358 CD2 TYR A 203 17.018 16.835 -0.188 1.00 0.00 C ATOM 359 CE1 TYR A 203 15.091 16.541 -2.198 1.00 0.00 C ATOM 360 CE2 TYR A 203 16.379 15.603 -0.371 1.00 0.00 C ATOM 361 CZ TYR A 203 15.414 15.457 -1.375 1.00 0.00 C ATOM 362 OH TYR A 203 14.783 14.243 -1.553 1.00 0.00 O ATOM 0 H TYR A 203 16.595 19.789 -3.675 1.00 0.00 H new ATOM 0 HA TYR A 203 18.776 20.501 -1.900 1.00 0.00 H new ATOM 0 HB2 TYR A 203 18.165 19.159 -0.046 1.00 0.00 H new ATOM 0 HB3 TYR A 203 16.673 19.992 -0.434 1.00 0.00 H new ATOM 0 HD1 TYR A 203 15.479 18.611 -2.651 1.00 0.00 H new ATOM 0 HD2 TYR A 203 17.761 16.947 0.588 1.00 0.00 H new ATOM 0 HE1 TYR A 203 14.349 16.427 -2.974 1.00 0.00 H new ATOM 0 HE2 TYR A 203 16.630 14.765 0.262 1.00 0.00 H new ATOM 0 HH TYR A 203 15.125 13.598 -0.899 1.00 0.00 H new ATOM 372 N TYR A 204 19.767 18.078 -2.287 1.00 0.00 N ATOM 373 CA TYR A 204 20.501 16.959 -2.888 1.00 0.00 C ATOM 374 C TYR A 204 20.177 15.657 -2.155 1.00 0.00 C ATOM 375 O TYR A 204 19.983 15.650 -0.939 1.00 0.00 O ATOM 376 CB TYR A 204 22.011 17.230 -2.826 1.00 0.00 C ATOM 377 CG TYR A 204 22.409 18.169 -3.945 1.00 0.00 C ATOM 378 CD1 TYR A 204 21.928 19.485 -3.961 1.00 0.00 C ATOM 379 CD2 TYR A 204 23.256 17.722 -4.969 1.00 0.00 C ATOM 380 CE1 TYR A 204 22.294 20.351 -4.999 1.00 0.00 C ATOM 381 CE2 TYR A 204 23.622 18.588 -6.004 1.00 0.00 C ATOM 382 CZ TYR A 204 23.141 19.902 -6.021 1.00 0.00 C ATOM 383 OH TYR A 204 23.499 20.753 -7.046 1.00 0.00 O ATOM 0 H TYR A 204 20.159 18.413 -1.407 1.00 0.00 H new ATOM 0 HA TYR A 204 20.197 16.861 -3.930 1.00 0.00 H new ATOM 0 HB2 TYR A 204 22.272 17.667 -1.862 1.00 0.00 H new ATOM 0 HB3 TYR A 204 22.562 16.293 -2.911 1.00 0.00 H new ATOM 0 HD1 TYR A 204 21.275 19.831 -3.173 1.00 0.00 H new ATOM 0 HD2 TYR A 204 23.626 16.707 -4.958 1.00 0.00 H new ATOM 0 HE1 TYR A 204 21.923 21.365 -5.012 1.00 0.00 H new ATOM 0 HE2 TYR A 204 24.276 18.243 -6.791 1.00 0.00 H new ATOM 0 HH TYR A 204 22.700 21.012 -7.550 1.00 0.00 H new ATOM 393 N ILE A 205 20.104 14.555 -2.908 1.00 0.00 N ATOM 394 CA ILE A 205 19.781 13.249 -2.324 1.00 0.00 C ATOM 395 C ILE A 205 20.988 12.314 -2.357 1.00 0.00 C ATOM 396 O ILE A 205 21.584 12.086 -3.410 1.00 0.00 O ATOM 397 CB ILE A 205 18.637 12.605 -3.116 1.00 0.00 C ATOM 398 CG1 ILE A 205 17.418 13.529 -3.096 1.00 0.00 C ATOM 399 CG2 ILE A 205 18.255 11.264 -2.479 1.00 0.00 C ATOM 400 CD1 ILE A 205 16.399 13.056 -4.138 1.00 0.00 C ATOM 0 H ILE A 205 20.263 14.540 -3.915 1.00 0.00 H new ATOM 0 HA ILE A 205 19.488 13.406 -1.286 1.00 0.00 H new ATOM 0 HB ILE A 205 18.963 12.443 -4.143 1.00 0.00 H new ATOM 0 HG12 ILE A 205 16.966 13.530 -2.104 1.00 0.00 H new ATOM 0 HG13 ILE A 205 17.722 14.554 -3.309 1.00 0.00 H new ATOM 0 HG21 ILE A 205 17.442 10.811 -3.046 1.00 0.00 H new ATOM 0 HG22 ILE A 205 19.118 10.598 -2.487 1.00 0.00 H new ATOM 0 HG23 ILE A 205 17.933 11.428 -1.451 1.00 0.00 H new ATOM 0 HD11 ILE A 205 15.531 13.715 -4.123 1.00 0.00 H new ATOM 0 HD12 ILE A 205 16.854 13.078 -5.128 1.00 0.00 H new ATOM 0 HD13 ILE A 205 16.086 12.038 -3.905 1.00 0.00 H new ATOM 412 N ASN A 206 21.324 11.754 -1.196 1.00 0.00 N ATOM 413 CA ASN A 206 22.443 10.818 -1.091 1.00 0.00 C ATOM 414 C ASN A 206 21.912 9.385 -1.085 1.00 0.00 C ATOM 415 O ASN A 206 21.392 8.914 -0.074 1.00 0.00 O ATOM 416 CB ASN A 206 23.228 11.081 0.199 1.00 0.00 C ATOM 417 CG ASN A 206 24.611 10.441 0.116 1.00 0.00 C ATOM 418 OD1 ASN A 206 24.932 9.784 -0.875 1.00 0.00 O ATOM 419 ND2 ASN A 206 25.452 10.595 1.101 1.00 0.00 N ATOM 0 H ASN A 206 20.839 11.931 -0.316 1.00 0.00 H new ATOM 0 HA ASN A 206 23.106 10.957 -1.945 1.00 0.00 H new ATOM 0 HB2 ASN A 206 23.325 12.154 0.361 1.00 0.00 H new ATOM 0 HB3 ASN A 206 22.684 10.678 1.053 1.00 0.00 H new ATOM 0 HD21 ASN A 206 26.378 10.171 1.052 1.00 0.00 H new ATOM 0 HD22 ASN A 206 25.183 11.140 1.920 1.00 0.00 H new ATOM 426 N HIS A 207 22.033 8.701 -2.219 1.00 0.00 N ATOM 427 CA HIS A 207 21.545 7.328 -2.325 1.00 0.00 C ATOM 428 C HIS A 207 22.548 6.350 -1.725 1.00 0.00 C ATOM 429 O HIS A 207 22.285 5.150 -1.645 1.00 0.00 O ATOM 430 CB HIS A 207 21.296 6.970 -3.791 1.00 0.00 C ATOM 431 CG HIS A 207 20.232 7.870 -4.356 1.00 0.00 C ATOM 432 ND1 HIS A 207 18.927 7.443 -4.543 1.00 0.00 N ATOM 433 CD2 HIS A 207 20.264 9.175 -4.779 1.00 0.00 C ATOM 434 CE1 HIS A 207 18.233 8.474 -5.060 1.00 0.00 C ATOM 435 NE2 HIS A 207 19.001 9.555 -5.223 1.00 0.00 N ATOM 0 H HIS A 207 22.460 9.069 -3.069 1.00 0.00 H new ATOM 0 HA HIS A 207 20.610 7.256 -1.770 1.00 0.00 H new ATOM 0 HB2 HIS A 207 22.218 7.076 -4.363 1.00 0.00 H new ATOM 0 HB3 HIS A 207 20.987 5.928 -3.874 1.00 0.00 H new ATOM 0 HD2 HIS A 207 21.137 9.811 -4.769 1.00 0.00 H new ATOM 0 HE1 HIS A 207 17.184 8.432 -5.312 1.00 0.00 H new ATOM 0 HE2 HIS A 207 18.722 10.463 -5.593 1.00 0.00 H new ATOM 443 N LYS A 208 23.694 6.867 -1.300 1.00 0.00 N ATOM 444 CA LYS A 208 24.720 6.021 -0.705 1.00 0.00 C ATOM 445 C LYS A 208 24.196 5.371 0.572 1.00 0.00 C ATOM 446 O LYS A 208 24.440 4.191 0.823 1.00 0.00 O ATOM 447 CB LYS A 208 25.969 6.849 -0.392 1.00 0.00 C ATOM 448 CG LYS A 208 26.653 7.255 -1.700 1.00 0.00 C ATOM 449 CD LYS A 208 27.899 8.089 -1.392 1.00 0.00 C ATOM 450 CE LYS A 208 28.614 8.437 -2.699 1.00 0.00 C ATOM 451 NZ LYS A 208 29.833 9.242 -2.401 1.00 0.00 N ATOM 0 H LYS A 208 23.935 7.857 -1.355 1.00 0.00 H new ATOM 0 HA LYS A 208 24.981 5.238 -1.417 1.00 0.00 H new ATOM 0 HB2 LYS A 208 25.696 7.737 0.179 1.00 0.00 H new ATOM 0 HB3 LYS A 208 26.656 6.271 0.226 1.00 0.00 H new ATOM 0 HG2 LYS A 208 26.929 6.367 -2.268 1.00 0.00 H new ATOM 0 HG3 LYS A 208 25.964 7.828 -2.320 1.00 0.00 H new ATOM 0 HD2 LYS A 208 27.619 9.001 -0.864 1.00 0.00 H new ATOM 0 HD3 LYS A 208 28.569 7.534 -0.735 1.00 0.00 H new ATOM 0 HE2 LYS A 208 28.888 7.525 -3.230 1.00 0.00 H new ATOM 0 HE3 LYS A 208 27.946 8.998 -3.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 208 30.057 9.847 -3.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 208 29.660 9.837 -1.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 208 30.633 8.604 -2.213 1.00 0.00 H new ATOM 465 N ASN A 209 23.471 6.148 1.376 1.00 0.00 N ATOM 466 CA ASN A 209 22.911 5.641 2.629 1.00 0.00 C ATOM 467 C ASN A 209 21.474 6.129 2.820 1.00 0.00 C ATOM 468 O ASN A 209 20.961 6.145 3.939 1.00 0.00 O ATOM 469 CB ASN A 209 23.774 6.103 3.806 1.00 0.00 C ATOM 470 CG ASN A 209 24.144 7.574 3.638 1.00 0.00 C ATOM 471 OD1 ASN A 209 24.970 8.096 4.386 1.00 0.00 O ATOM 472 ND2 ASN A 209 23.578 8.277 2.695 1.00 0.00 N ATOM 0 H ASN A 209 23.258 7.127 1.184 1.00 0.00 H new ATOM 0 HA ASN A 209 22.903 4.552 2.587 1.00 0.00 H new ATOM 0 HB2 ASN A 209 23.233 5.960 4.742 1.00 0.00 H new ATOM 0 HB3 ASN A 209 24.678 5.497 3.864 1.00 0.00 H new ATOM 0 HD21 ASN A 209 23.820 9.261 2.577 1.00 0.00 H new ATOM 0 HD22 ASN A 209 22.894 7.843 2.076 1.00 0.00 H new ATOM 479 N LYS A 210 20.832 6.528 1.725 1.00 0.00 N ATOM 480 CA LYS A 210 19.457 7.017 1.792 1.00 0.00 C ATOM 481 C LYS A 210 19.326 8.105 2.852 1.00 0.00 C ATOM 482 O LYS A 210 18.639 7.926 3.857 1.00 0.00 O ATOM 483 CB LYS A 210 18.498 5.869 2.127 1.00 0.00 C ATOM 484 CG LYS A 210 18.463 4.845 0.984 1.00 0.00 C ATOM 485 CD LYS A 210 17.714 5.420 -0.229 1.00 0.00 C ATOM 486 CE LYS A 210 17.312 4.281 -1.169 1.00 0.00 C ATOM 487 NZ LYS A 210 16.482 4.825 -2.281 1.00 0.00 N ATOM 0 H LYS A 210 21.237 6.523 0.789 1.00 0.00 H new ATOM 0 HA LYS A 210 19.199 7.432 0.818 1.00 0.00 H new ATOM 0 HB2 LYS A 210 18.813 5.382 3.050 1.00 0.00 H new ATOM 0 HB3 LYS A 210 17.497 6.263 2.301 1.00 0.00 H new ATOM 0 HG2 LYS A 210 19.480 4.576 0.697 1.00 0.00 H new ATOM 0 HG3 LYS A 210 17.974 3.931 1.321 1.00 0.00 H new ATOM 0 HD2 LYS A 210 16.828 5.963 0.101 1.00 0.00 H new ATOM 0 HD3 LYS A 210 18.347 6.134 -0.756 1.00 0.00 H new ATOM 0 HE2 LYS A 210 18.201 3.794 -1.569 1.00 0.00 H new ATOM 0 HE3 LYS A 210 16.753 3.523 -0.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 210 16.208 4.052 -2.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 210 15.627 5.270 -1.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 210 17.031 5.533 -2.809 1.00 0.00 H new ATOM 501 N THR A 211 19.985 9.238 2.619 1.00 0.00 N ATOM 502 CA THR A 211 19.934 10.357 3.561 1.00 0.00 C ATOM 503 C THR A 211 19.766 11.677 2.815 1.00 0.00 C ATOM 504 O THR A 211 20.130 11.790 1.645 1.00 0.00 O ATOM 505 CB THR A 211 21.222 10.403 4.387 1.00 0.00 C ATOM 506 OG1 THR A 211 22.316 10.716 3.537 1.00 0.00 O ATOM 507 CG2 THR A 211 21.459 9.043 5.045 1.00 0.00 C ATOM 0 H THR A 211 20.558 9.406 1.792 1.00 0.00 H new ATOM 0 HA THR A 211 19.080 10.211 4.222 1.00 0.00 H new ATOM 0 HB THR A 211 21.130 11.166 5.160 1.00 0.00 H new ATOM 0 HG1 THR A 211 23.141 10.747 4.064 1.00 0.00 H new ATOM 0 HG21 THR A 211 22.376 9.078 5.633 1.00 0.00 H new ATOM 0 HG22 THR A 211 20.619 8.803 5.697 1.00 0.00 H new ATOM 0 HG23 THR A 211 21.550 8.277 4.275 1.00 0.00 H new ATOM 515 N THR A 212 19.216 12.676 3.503 1.00 0.00 N ATOM 516 CA THR A 212 19.008 13.994 2.902 1.00 0.00 C ATOM 517 C THR A 212 19.996 14.998 3.481 1.00 0.00 C ATOM 518 O THR A 212 20.201 15.052 4.694 1.00 0.00 O ATOM 519 CB THR A 212 17.580 14.476 3.173 1.00 0.00 C ATOM 520 OG1 THR A 212 17.479 14.922 4.519 1.00 0.00 O ATOM 521 CG2 THR A 212 16.597 13.329 2.939 1.00 0.00 C ATOM 0 H THR A 212 18.907 12.600 4.472 1.00 0.00 H new ATOM 0 HA THR A 212 19.165 13.912 1.827 1.00 0.00 H new ATOM 0 HB THR A 212 17.341 15.298 2.498 1.00 0.00 H new ATOM 0 HG1 THR A 212 16.566 15.232 4.693 1.00 0.00 H new ATOM 0 HG21 THR A 212 15.582 13.675 3.133 1.00 0.00 H new ATOM 0 HG22 THR A 212 16.674 12.989 1.906 1.00 0.00 H new ATOM 0 HG23 THR A 212 16.834 12.504 3.611 1.00 0.00 H new ATOM 529 N SER A 213 20.609 15.796 2.609 1.00 0.00 N ATOM 530 CA SER A 213 21.576 16.799 3.053 1.00 0.00 C ATOM 531 C SER A 213 21.439 18.072 2.228 1.00 0.00 C ATOM 532 O SER A 213 21.065 18.029 1.055 1.00 0.00 O ATOM 533 CB SER A 213 22.998 16.253 2.918 1.00 0.00 C ATOM 534 OG SER A 213 23.474 16.504 1.602 1.00 0.00 O ATOM 0 H SER A 213 20.456 15.769 1.601 1.00 0.00 H new ATOM 0 HA SER A 213 21.376 17.031 4.099 1.00 0.00 H new ATOM 0 HB2 SER A 213 23.653 16.726 3.650 1.00 0.00 H new ATOM 0 HB3 SER A 213 23.010 15.183 3.124 1.00 0.00 H new ATOM 0 HG SER A 213 24.110 15.804 1.345 1.00 0.00 H new ATOM 540 N TRP A 214 21.740 19.209 2.852 1.00 0.00 N ATOM 541 CA TRP A 214 21.643 20.500 2.175 1.00 0.00 C ATOM 542 C TRP A 214 23.025 21.009 1.771 1.00 0.00 C ATOM 543 O TRP A 214 23.149 22.071 1.163 1.00 0.00 O ATOM 544 CB TRP A 214 20.972 21.512 3.105 1.00 0.00 C ATOM 545 CG TRP A 214 19.853 20.839 3.832 1.00 0.00 C ATOM 546 CD1 TRP A 214 19.996 20.088 4.949 1.00 0.00 C ATOM 547 CD2 TRP A 214 18.432 20.834 3.514 1.00 0.00 C ATOM 548 NE1 TRP A 214 18.753 19.620 5.334 1.00 0.00 N ATOM 549 CE2 TRP A 214 17.757 20.053 4.482 1.00 0.00 C ATOM 550 CE3 TRP A 214 17.670 21.423 2.489 1.00 0.00 C ATOM 551 CZ2 TRP A 214 16.375 19.865 4.437 1.00 0.00 C ATOM 552 CZ3 TRP A 214 16.279 21.236 2.441 1.00 0.00 C ATOM 553 CH2 TRP A 214 15.633 20.457 3.411 1.00 0.00 C ATOM 0 H TRP A 214 22.052 19.263 3.822 1.00 0.00 H new ATOM 0 HA TRP A 214 21.046 20.375 1.271 1.00 0.00 H new ATOM 0 HB2 TRP A 214 21.697 21.909 3.815 1.00 0.00 H new ATOM 0 HB3 TRP A 214 20.593 22.357 2.531 1.00 0.00 H new ATOM 0 HD1 TRP A 214 20.928 19.887 5.456 1.00 0.00 H new ATOM 0 HE1 TRP A 214 18.592 19.027 6.148 1.00 0.00 H new ATOM 0 HE3 TRP A 214 18.157 22.023 1.734 1.00 0.00 H new ATOM 0 HZ2 TRP A 214 15.882 19.267 5.189 1.00 0.00 H new ATOM 0 HZ3 TRP A 214 15.703 21.695 1.651 1.00 0.00 H new ATOM 0 HH2 TRP A 214 14.563 20.314 3.366 1.00 0.00 H new ATOM 564 N LEU A 215 24.060 20.250 2.116 1.00 0.00 N ATOM 565 CA LEU A 215 25.424 20.648 1.786 1.00 0.00 C ATOM 566 C LEU A 215 25.546 20.973 0.295 1.00 0.00 C ATOM 567 O LEU A 215 24.795 20.451 -0.530 1.00 0.00 O ATOM 568 CB LEU A 215 26.410 19.540 2.203 1.00 0.00 C ATOM 569 CG LEU A 215 26.446 18.402 1.154 1.00 0.00 C ATOM 570 CD1 LEU A 215 27.655 18.579 0.219 1.00 0.00 C ATOM 571 CD2 LEU A 215 26.560 17.044 1.864 1.00 0.00 C ATOM 0 H LEU A 215 23.983 19.366 2.618 1.00 0.00 H new ATOM 0 HA LEU A 215 25.674 21.553 2.340 1.00 0.00 H new ATOM 0 HB2 LEU A 215 27.408 19.962 2.320 1.00 0.00 H new ATOM 0 HB3 LEU A 215 26.119 19.136 3.173 1.00 0.00 H new ATOM 0 HG LEU A 215 25.527 18.439 0.570 1.00 0.00 H new ATOM 0 HD11 LEU A 215 27.669 17.772 -0.514 1.00 0.00 H new ATOM 0 HD12 LEU A 215 27.579 19.537 -0.296 1.00 0.00 H new ATOM 0 HD13 LEU A 215 28.574 18.554 0.804 1.00 0.00 H new ATOM 0 HD21 LEU A 215 26.585 16.246 1.122 1.00 0.00 H new ATOM 0 HD22 LEU A 215 27.475 17.018 2.455 1.00 0.00 H new ATOM 0 HD23 LEU A 215 25.701 16.903 2.519 1.00 0.00 H new ATOM 583 N ASP A 216 26.481 21.859 -0.029 1.00 0.00 N ATOM 584 CA ASP A 216 26.692 22.291 -1.409 1.00 0.00 C ATOM 585 C ASP A 216 26.667 21.098 -2.375 1.00 0.00 C ATOM 586 O ASP A 216 26.816 19.955 -1.955 1.00 0.00 O ATOM 587 CB ASP A 216 28.042 23.018 -1.502 1.00 0.00 C ATOM 588 CG ASP A 216 28.333 23.741 -0.190 1.00 0.00 C ATOM 589 OD1 ASP A 216 27.404 24.289 0.380 1.00 0.00 O ATOM 590 OD2 ASP A 216 29.480 23.734 0.226 1.00 0.00 O ATOM 0 H ASP A 216 27.108 22.295 0.647 1.00 0.00 H new ATOM 0 HA ASP A 216 25.885 22.965 -1.695 1.00 0.00 H new ATOM 0 HB2 ASP A 216 28.836 22.303 -1.717 1.00 0.00 H new ATOM 0 HB3 ASP A 216 28.024 23.732 -2.325 1.00 0.00 H new ATOM 595 N PRO A 217 26.480 21.330 -3.657 1.00 0.00 N ATOM 596 CA PRO A 217 26.442 20.226 -4.666 1.00 0.00 C ATOM 597 C PRO A 217 27.649 19.296 -4.547 1.00 0.00 C ATOM 598 O PRO A 217 28.510 19.487 -3.688 1.00 0.00 O ATOM 599 CB PRO A 217 26.429 20.959 -6.012 1.00 0.00 C ATOM 600 CG PRO A 217 25.833 22.293 -5.713 1.00 0.00 C ATOM 601 CD PRO A 217 26.282 22.647 -4.296 1.00 0.00 C ATOM 0 HA PRO A 217 25.578 19.575 -4.531 1.00 0.00 H new ATOM 0 HB2 PRO A 217 27.436 21.058 -6.419 1.00 0.00 H new ATOM 0 HB3 PRO A 217 25.838 20.418 -6.751 1.00 0.00 H new ATOM 0 HG2 PRO A 217 26.173 23.042 -6.429 1.00 0.00 H new ATOM 0 HG3 PRO A 217 24.746 22.259 -5.781 1.00 0.00 H new ATOM 0 HD2 PRO A 217 27.201 23.233 -4.301 1.00 0.00 H new ATOM 0 HD3 PRO A 217 25.530 23.238 -3.773 1.00 0.00 H new ATOM 609 N ARG A 218 27.693 18.282 -5.405 1.00 0.00 N ATOM 610 CA ARG A 218 28.787 17.317 -5.379 1.00 0.00 C ATOM 611 C ARG A 218 30.136 17.991 -5.652 1.00 0.00 C ATOM 612 O ARG A 218 31.041 17.934 -4.819 1.00 0.00 O ATOM 613 CB ARG A 218 28.514 16.210 -6.418 1.00 0.00 C ATOM 614 CG ARG A 218 29.790 15.366 -6.685 1.00 0.00 C ATOM 615 CD ARG A 218 30.440 15.763 -8.027 1.00 0.00 C ATOM 616 NE ARG A 218 31.888 15.633 -7.943 1.00 0.00 N ATOM 617 CZ ARG A 218 32.656 15.854 -9.003 1.00 0.00 C ATOM 618 NH1 ARG A 218 32.111 16.163 -10.149 1.00 0.00 N ATOM 619 NH2 ARG A 218 33.953 15.763 -8.898 1.00 0.00 N ATOM 0 H ARG A 218 26.989 18.107 -6.122 1.00 0.00 H new ATOM 0 HA ARG A 218 28.840 16.878 -4.383 1.00 0.00 H new ATOM 0 HB2 ARG A 218 27.714 15.562 -6.061 1.00 0.00 H new ATOM 0 HB3 ARG A 218 28.170 16.659 -7.350 1.00 0.00 H new ATOM 0 HG2 ARG A 218 30.503 15.511 -5.874 1.00 0.00 H new ATOM 0 HG3 ARG A 218 29.534 14.307 -6.699 1.00 0.00 H new ATOM 0 HD2 ARG A 218 30.057 15.129 -8.827 1.00 0.00 H new ATOM 0 HD3 ARG A 218 30.174 16.790 -8.279 1.00 0.00 H new ATOM 0 HE ARG A 218 32.318 15.368 -7.057 1.00 0.00 H new ATOM 0 HH11 ARG A 218 31.097 16.234 -10.229 1.00 0.00 H new ATOM 0 HH12 ARG A 218 32.700 16.333 -10.964 1.00 0.00 H new ATOM 0 HH21 ARG A 218 34.376 15.522 -8.002 1.00 0.00 H new ATOM 0 HH22 ARG A 218 34.544 15.933 -9.712 1.00 0.00 H new ATOM 633 N LEU A 219 30.275 18.607 -6.820 1.00 0.00 N ATOM 634 CA LEU A 219 31.529 19.260 -7.181 1.00 0.00 C ATOM 635 C LEU A 219 31.708 20.579 -6.434 1.00 0.00 C ATOM 636 O LEU A 219 32.792 20.870 -5.931 1.00 0.00 O ATOM 637 CB LEU A 219 31.576 19.501 -8.695 1.00 0.00 C ATOM 638 CG LEU A 219 32.862 20.251 -9.084 1.00 0.00 C ATOM 639 CD1 LEU A 219 34.095 19.488 -8.571 1.00 0.00 C ATOM 640 CD2 LEU A 219 32.935 20.385 -10.617 1.00 0.00 C ATOM 0 H LEU A 219 29.543 18.668 -7.528 1.00 0.00 H new ATOM 0 HA LEU A 219 32.347 18.600 -6.893 1.00 0.00 H new ATOM 0 HB2 LEU A 219 31.531 18.548 -9.222 1.00 0.00 H new ATOM 0 HB3 LEU A 219 30.704 20.078 -9.004 1.00 0.00 H new ATOM 0 HG LEU A 219 32.847 21.243 -8.632 1.00 0.00 H new ATOM 0 HD11 LEU A 219 35.000 20.027 -8.852 1.00 0.00 H new ATOM 0 HD12 LEU A 219 34.045 19.404 -7.485 1.00 0.00 H new ATOM 0 HD13 LEU A 219 34.115 18.491 -9.012 1.00 0.00 H new ATOM 0 HD21 LEU A 219 33.846 20.916 -10.893 1.00 0.00 H new ATOM 0 HD22 LEU A 219 32.942 19.393 -11.069 1.00 0.00 H new ATOM 0 HD23 LEU A 219 32.068 20.941 -10.975 1.00 0.00 H new ATOM 652 N GLU A 220 30.645 21.377 -6.377 1.00 0.00 N ATOM 653 CA GLU A 220 30.703 22.671 -5.701 1.00 0.00 C ATOM 654 C GLU A 220 31.990 23.407 -6.072 1.00 0.00 C ATOM 655 O GLU A 220 32.008 24.172 -7.032 1.00 0.00 O ATOM 656 CB GLU A 220 30.628 22.477 -4.179 1.00 0.00 C ATOM 657 CG GLU A 220 30.876 23.808 -3.444 1.00 0.00 C ATOM 658 CD GLU A 220 30.088 24.946 -4.091 1.00 0.00 C ATOM 659 OE1 GLU A 220 30.455 25.347 -5.184 1.00 0.00 O ATOM 660 OE2 GLU A 220 29.138 25.404 -3.482 1.00 0.00 O ATOM 0 H GLU A 220 29.739 21.153 -6.788 1.00 0.00 H new ATOM 0 HA GLU A 220 29.852 23.270 -6.023 1.00 0.00 H new ATOM 0 HB2 GLU A 220 29.649 22.083 -3.906 1.00 0.00 H new ATOM 0 HB3 GLU A 220 31.367 21.740 -3.865 1.00 0.00 H new ATOM 0 HG2 GLU A 220 30.586 23.709 -2.398 1.00 0.00 H new ATOM 0 HG3 GLU A 220 31.940 24.043 -3.459 1.00 0.00 H new ATOM 667 N THR A 221 33.045 23.149 -5.292 1.00 0.00 N ATOM 668 CA THR A 221 34.376 23.749 -5.474 1.00 0.00 C ATOM 669 C THR A 221 34.924 24.156 -4.112 1.00 0.00 C ATOM 670 O THR A 221 34.911 25.333 -3.753 1.00 0.00 O ATOM 671 CB THR A 221 34.366 24.986 -6.394 1.00 0.00 C ATOM 672 OG1 THR A 221 35.671 25.546 -6.413 1.00 0.00 O ATOM 673 CG2 THR A 221 33.379 26.050 -5.878 1.00 0.00 C ATOM 0 H THR A 221 33.000 22.506 -4.501 1.00 0.00 H new ATOM 0 HA THR A 221 35.003 22.997 -5.953 1.00 0.00 H new ATOM 0 HB THR A 221 34.056 24.679 -7.393 1.00 0.00 H new ATOM 0 HG1 THR A 221 35.681 26.334 -6.996 1.00 0.00 H new ATOM 0 HG21 THR A 221 33.392 26.912 -6.545 1.00 0.00 H new ATOM 0 HG22 THR A 221 32.374 25.629 -5.847 1.00 0.00 H new ATOM 0 HG23 THR A 221 33.672 26.363 -4.876 1.00 0.00 H new ATOM 681 N ARG A 222 35.394 23.174 -3.353 1.00 0.00 N ATOM 682 CA ARG A 222 35.933 23.442 -2.023 1.00 0.00 C ATOM 683 C ARG A 222 37.141 24.374 -2.123 1.00 0.00 C ATOM 684 O ARG A 222 37.788 24.582 -1.109 1.00 0.00 O ATOM 685 CB ARG A 222 36.332 22.124 -1.308 1.00 0.00 C ATOM 686 CG ARG A 222 35.930 20.906 -2.155 1.00 0.00 C ATOM 687 CD ARG A 222 36.878 20.762 -3.361 1.00 0.00 C ATOM 688 NE ARG A 222 37.528 22.042 -3.667 1.00 0.00 N ATOM 689 CZ ARG A 222 38.785 22.303 -3.297 1.00 0.00 C ATOM 690 NH1 ARG A 222 39.471 21.422 -2.620 1.00 0.00 N ATOM 691 NH2 ARG A 222 39.328 23.449 -3.600 1.00 0.00 N ATOM 692 OXT ARG A 222 37.398 24.864 -3.209 1.00 0.00 O ATOM 0 H ARG A 222 35.414 22.193 -3.631 1.00 0.00 H new ATOM 0 HA ARG A 222 35.156 23.927 -1.432 1.00 0.00 H new ATOM 0 HB2 ARG A 222 37.407 22.111 -1.131 1.00 0.00 H new ATOM 0 HB3 ARG A 222 35.847 22.072 -0.333 1.00 0.00 H new ATOM 0 HG2 ARG A 222 35.964 20.003 -1.546 1.00 0.00 H new ATOM 0 HG3 ARG A 222 34.903 21.018 -2.502 1.00 0.00 H new ATOM 0 HD2 ARG A 222 37.634 20.007 -3.147 1.00 0.00 H new ATOM 0 HD3 ARG A 222 36.319 20.416 -4.230 1.00 0.00 H new ATOM 0 HE ARG A 222 37.005 22.753 -4.177 1.00 0.00 H new ATOM 0 HH11 ARG A 222 39.048 20.528 -2.371 1.00 0.00 H new ATOM 0 HH12 ARG A 222 40.430 21.628 -2.341 1.00 0.00 H new ATOM 0 HH21 ARG A 222 38.793 24.145 -4.119 1.00 0.00 H new ATOM 0 HH22 ARG A 222 40.288 23.649 -3.318 1.00 0.00 H new TER 706 ARG A 222