USER MOD reduce.3.24.130724 H: found=0, std=0, add=483, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 474 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 19 HIS : no HE2:sc= -5.86! C(o=-9.1!,f=-11!) USER MOD Set 1.2: A 21 SER OG : rot 160:sc= -1.3 USER MOD Set 1.3: A 22 LYS NZ :NH3+ -174:sc= -1.97! (180deg=-2.27!) USER MOD Single : A 1 GLU N :NH3+ 133:sc= 0.0562 (180deg=-0.276) USER MOD Single : A 3 THR OG1 : rot 180:sc=-0.00774 USER MOD Single : A 5 GLN : amide:sc= -0.862! X(o=-0.86!,f=-0.77) USER MOD Single : A 6 HIS : no HE2:sc= -0.075 X(o=-0.075,f=-0.56) USER MOD Single : A 8 TYR OH : rot 39:sc= -5.82! USER MOD Single : A 11 SER OG : rot 93:sc= -4.1! USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= -0.268 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -2.08 K(o=-2.1,f=-5.4) USER MOD Single : A 17 TYR OH : rot 29:sc= 0.0967 USER MOD Single : A 18 HIS :FLIP no HE2:sc= 0.101 F(o=-1.6,f=0.1) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HD1:sc= -4.04! X(o=-4!,f=-3.9) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 ASN :FLIP amide:sc= -3.12! C(o=-3.7!,f=-3.1!) USER MOD Single : A 31 ASN : amide:sc= -0.109 K(o=-0.11,f=-1.8!) USER MOD Single : A 32 ASN : amide:sc= -5.35! C(o=-5.3!,f=-7.4!) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -0.0355 K(o=-0.036,f=-1.7!) USER MOD Single : A 38 LYS NZ :NH3+ 149:sc= -0.179 (180deg=-1.08) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.269 USER MOD Single : A 41 GLN : amide:sc= -3.96! C(o=-4!,f=-7.7!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -0.676 X(o=-0.68,f=-0.3) USER MOD Single : A 56 THR OG1 : rot 3:sc= 0.542! USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 180:sc= -0.571 USER MOD Single : A 62 TYR OH : rot 180:sc= -0.302 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -2.59! C(o=-2.6!,f=-2.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 12.490 9.217 -2.992 1.00 0.00 N ATOM 2 CA GLU A 1 13.357 8.114 -3.372 1.00 0.00 C ATOM 3 C GLU A 1 12.531 6.850 -3.616 1.00 0.00 C ATOM 4 O GLU A 1 11.302 6.899 -3.625 1.00 0.00 O ATOM 5 CB GLU A 1 14.431 7.871 -2.310 1.00 0.00 C ATOM 6 CG GLU A 1 13.800 7.591 -0.945 1.00 0.00 C ATOM 7 CD GLU A 1 14.403 6.337 -0.309 1.00 0.00 C ATOM 8 OE1 GLU A 1 14.626 5.335 -1.004 1.00 0.00 O ATOM 9 OE2 GLU A 1 14.641 6.428 0.956 1.00 0.00 O ATOM 0 H1 GLU A 1 12.888 9.701 -2.162 1.00 0.00 H new ATOM 0 H2 GLU A 1 12.416 9.889 -3.783 1.00 0.00 H new ATOM 0 H3 GLU A 1 11.545 8.851 -2.759 1.00 0.00 H new ATOM 0 HA GLU A 1 13.864 8.378 -4.300 1.00 0.00 H new ATOM 0 HB2 GLU A 1 15.055 7.028 -2.606 1.00 0.00 H new ATOM 0 HB3 GLU A 1 15.083 8.742 -2.241 1.00 0.00 H new ATOM 0 HG2 GLU A 1 13.953 8.446 -0.287 1.00 0.00 H new ATOM 0 HG3 GLU A 1 12.723 7.464 -1.057 1.00 0.00 H new ATOM 17 N GLY A 2 13.240 5.746 -3.808 1.00 0.00 N ATOM 18 CA GLY A 2 12.587 4.471 -4.052 1.00 0.00 C ATOM 19 C GLY A 2 11.580 4.581 -5.198 1.00 0.00 C ATOM 20 O GLY A 2 11.618 5.535 -5.974 1.00 0.00 O ATOM 0 H GLY A 2 14.259 5.709 -3.799 1.00 0.00 H new ATOM 0 HA2 GLY A 2 13.335 3.715 -4.292 1.00 0.00 H new ATOM 0 HA3 GLY A 2 12.078 4.140 -3.147 1.00 0.00 H new ATOM 24 N THR A 3 10.702 3.591 -5.269 1.00 0.00 N ATOM 25 CA THR A 3 9.686 3.564 -6.307 1.00 0.00 C ATOM 26 C THR A 3 8.301 3.356 -5.693 1.00 0.00 C ATOM 27 O THR A 3 8.001 2.278 -5.180 1.00 0.00 O ATOM 28 CB THR A 3 10.072 2.482 -7.318 1.00 0.00 C ATOM 29 OG1 THR A 3 11.404 2.818 -7.695 1.00 0.00 O ATOM 30 CG2 THR A 3 9.277 2.588 -8.621 1.00 0.00 C ATOM 0 H THR A 3 10.673 2.801 -4.624 1.00 0.00 H new ATOM 0 HA THR A 3 9.633 4.517 -6.833 1.00 0.00 H new ATOM 0 HB THR A 3 9.913 1.499 -6.875 1.00 0.00 H new ATOM 0 HG1 THR A 3 11.733 2.166 -8.348 1.00 0.00 H new ATOM 0 HG21 THR A 3 9.590 1.797 -9.303 1.00 0.00 H new ATOM 0 HG22 THR A 3 8.213 2.484 -8.408 1.00 0.00 H new ATOM 0 HG23 THR A 3 9.461 3.559 -9.082 1.00 0.00 H new ATOM 38 N TRP A 4 7.493 4.404 -5.764 1.00 0.00 N ATOM 39 CA TRP A 4 6.147 4.349 -5.221 1.00 0.00 C ATOM 40 C TRP A 4 5.169 4.228 -6.392 1.00 0.00 C ATOM 41 O TRP A 4 5.337 4.889 -7.416 1.00 0.00 O ATOM 42 CB TRP A 4 5.865 5.561 -4.330 1.00 0.00 C ATOM 43 CG TRP A 4 4.623 5.411 -3.450 1.00 0.00 C ATOM 44 CD1 TRP A 4 4.223 4.332 -2.764 1.00 0.00 C ATOM 45 CD2 TRP A 4 3.628 6.424 -3.188 1.00 0.00 C ATOM 46 NE1 TRP A 4 3.048 4.573 -2.082 1.00 0.00 N ATOM 47 CE2 TRP A 4 2.675 5.886 -2.348 1.00 0.00 C ATOM 48 CE3 TRP A 4 3.537 7.750 -3.646 1.00 0.00 C ATOM 49 CZ2 TRP A 4 1.562 6.603 -1.893 1.00 0.00 C ATOM 50 CZ3 TRP A 4 2.419 8.453 -3.182 1.00 0.00 C ATOM 51 CH2 TRP A 4 1.450 7.926 -2.336 1.00 0.00 C ATOM 0 H TRP A 4 7.745 5.296 -6.190 1.00 0.00 H new ATOM 0 HA TRP A 4 6.027 3.479 -4.576 1.00 0.00 H new ATOM 0 HB2 TRP A 4 6.730 5.739 -3.692 1.00 0.00 H new ATOM 0 HB3 TRP A 4 5.747 6.443 -4.960 1.00 0.00 H new ATOM 0 HD1 TRP A 4 4.754 3.392 -2.747 1.00 0.00 H new ATOM 0 HE1 TRP A 4 2.546 3.910 -1.492 1.00 0.00 H new ATOM 0 HE3 TRP A 4 4.271 8.191 -4.304 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 0.829 6.159 -1.235 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 2.301 9.477 -3.504 1.00 0.00 H new ATOM 0 HH2 TRP A 4 0.615 8.534 -2.022 1.00 0.00 H new ATOM 62 N GLN A 5 4.169 3.380 -6.201 1.00 0.00 N ATOM 63 CA GLN A 5 3.165 3.164 -7.229 1.00 0.00 C ATOM 64 C GLN A 5 1.795 2.926 -6.591 1.00 0.00 C ATOM 65 O GLN A 5 1.400 1.783 -6.367 1.00 0.00 O ATOM 66 CB GLN A 5 3.555 1.998 -8.140 1.00 0.00 C ATOM 67 CG GLN A 5 4.004 2.502 -9.513 1.00 0.00 C ATOM 68 CD GLN A 5 3.126 3.662 -9.986 1.00 0.00 C ATOM 69 OE1 GLN A 5 1.996 3.485 -10.411 1.00 0.00 O ATOM 70 NE2 GLN A 5 3.706 4.854 -9.889 1.00 0.00 N ATOM 0 H GLN A 5 4.033 2.835 -5.350 1.00 0.00 H new ATOM 0 HA GLN A 5 3.106 4.061 -7.846 1.00 0.00 H new ATOM 0 HB2 GLN A 5 4.359 1.424 -7.679 1.00 0.00 H new ATOM 0 HB3 GLN A 5 2.707 1.323 -8.256 1.00 0.00 H new ATOM 0 HG2 GLN A 5 5.044 2.825 -9.463 1.00 0.00 H new ATOM 0 HG3 GLN A 5 3.957 1.688 -10.236 1.00 0.00 H new ATOM 0 HE21 GLN A 5 4.655 4.931 -9.524 1.00 0.00 H new ATOM 0 HE22 GLN A 5 3.202 5.692 -10.179 1.00 0.00 H new ATOM 79 N HIS A 6 1.107 4.025 -6.315 1.00 0.00 N ATOM 80 CA HIS A 6 -0.210 3.951 -5.707 1.00 0.00 C ATOM 81 C HIS A 6 -1.283 4.122 -6.784 1.00 0.00 C ATOM 82 O HIS A 6 -1.157 4.975 -7.661 1.00 0.00 O ATOM 83 CB HIS A 6 -0.342 4.967 -4.571 1.00 0.00 C ATOM 84 CG HIS A 6 -1.374 6.040 -4.824 1.00 0.00 C ATOM 85 ND1 HIS A 6 -2.620 6.039 -4.222 1.00 0.00 N ATOM 86 CD2 HIS A 6 -1.332 7.148 -5.619 1.00 0.00 C ATOM 87 CE1 HIS A 6 -3.290 7.101 -4.643 1.00 0.00 C ATOM 88 NE2 HIS A 6 -2.490 7.787 -5.510 1.00 0.00 N ATOM 0 H HIS A 6 1.438 4.972 -6.502 1.00 0.00 H new ATOM 0 HA HIS A 6 -0.351 2.969 -5.256 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -0.599 4.439 -3.653 1.00 0.00 H new ATOM 0 HB3 HIS A 6 0.626 5.440 -4.406 1.00 0.00 H new ATOM 0 HD1 HIS A 6 -2.964 5.339 -3.565 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -0.498 7.453 -6.233 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -4.293 7.376 -4.351 1.00 0.00 H new ATOM 96 N GLY A 7 -2.315 3.297 -6.682 1.00 0.00 N ATOM 97 CA GLY A 7 -3.409 3.346 -7.637 1.00 0.00 C ATOM 98 C GLY A 7 -4.738 2.990 -6.967 1.00 0.00 C ATOM 99 O GLY A 7 -4.841 2.863 -5.749 1.00 0.00 O ATOM 0 H GLY A 7 -2.417 2.591 -5.953 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.473 4.344 -8.072 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.213 2.653 -8.456 1.00 0.00 H new ATOM 103 N TYR A 8 -5.766 2.831 -7.803 1.00 0.00 N ATOM 104 CA TYR A 8 -7.092 2.494 -7.325 1.00 0.00 C ATOM 105 C TYR A 8 -7.879 1.802 -8.430 1.00 0.00 C ATOM 106 O TYR A 8 -8.245 2.462 -9.401 1.00 0.00 O ATOM 107 CB TYR A 8 -7.804 3.764 -6.869 1.00 0.00 C ATOM 108 CG TYR A 8 -8.553 3.601 -5.568 1.00 0.00 C ATOM 109 CD1 TYR A 8 -9.347 2.467 -5.355 1.00 0.00 C ATOM 110 CD2 TYR A 8 -8.454 4.583 -4.575 1.00 0.00 C ATOM 111 CE1 TYR A 8 -10.042 2.316 -4.149 1.00 0.00 C ATOM 112 CE2 TYR A 8 -9.149 4.431 -3.369 1.00 0.00 C ATOM 113 CZ TYR A 8 -9.943 3.298 -3.156 1.00 0.00 C ATOM 114 OH TYR A 8 -10.620 3.151 -1.981 1.00 0.00 O ATOM 0 H TYR A 8 -5.697 2.932 -8.816 1.00 0.00 H new ATOM 0 HA TYR A 8 -7.015 1.811 -6.479 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -7.070 4.563 -6.759 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -8.503 4.078 -7.645 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -9.423 1.709 -6.121 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -7.842 5.457 -4.739 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -10.655 1.442 -3.985 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -9.072 5.188 -2.603 1.00 0.00 H new ATOM 0 HH TYR A 8 -10.590 2.212 -1.701 1.00 0.00 H new ATOM 124 N GLY A 9 -8.119 0.510 -8.266 1.00 0.00 N ATOM 125 CA GLY A 9 -8.861 -0.245 -9.261 1.00 0.00 C ATOM 126 C GLY A 9 -10.369 -0.076 -9.066 1.00 0.00 C ATOM 127 O GLY A 9 -11.119 -1.050 -9.117 1.00 0.00 O ATOM 0 H GLY A 9 -7.813 -0.033 -7.459 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -8.580 0.089 -10.260 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -8.598 -1.301 -9.192 1.00 0.00 H new ATOM 131 N VAL A 10 -10.769 1.168 -8.847 1.00 0.00 N ATOM 132 CA VAL A 10 -12.174 1.478 -8.643 1.00 0.00 C ATOM 133 C VAL A 10 -12.882 0.253 -8.060 1.00 0.00 C ATOM 134 O VAL A 10 -13.665 -0.402 -8.746 1.00 0.00 O ATOM 135 CB VAL A 10 -12.799 1.961 -9.953 1.00 0.00 C ATOM 136 CG1 VAL A 10 -12.208 1.215 -11.151 1.00 0.00 C ATOM 137 CG2 VAL A 10 -14.322 1.823 -9.919 1.00 0.00 C ATOM 0 H VAL A 10 -10.144 1.973 -8.806 1.00 0.00 H new ATOM 0 HA VAL A 10 -12.285 2.291 -7.926 1.00 0.00 H new ATOM 0 HB VAL A 10 -12.561 3.019 -10.066 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -12.670 1.578 -12.069 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -11.133 1.388 -11.193 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -12.400 0.147 -11.046 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -14.740 2.174 -10.863 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -14.589 0.777 -9.770 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -14.723 2.420 -9.100 1.00 0.00 H new ATOM 147 N SER A 11 -12.582 -0.019 -6.798 1.00 0.00 N ATOM 148 CA SER A 11 -13.180 -1.153 -6.114 1.00 0.00 C ATOM 149 C SER A 11 -12.285 -1.596 -4.955 1.00 0.00 C ATOM 150 O SER A 11 -12.780 -1.990 -3.900 1.00 0.00 O ATOM 151 CB SER A 11 -13.414 -2.317 -7.080 1.00 0.00 C ATOM 152 OG SER A 11 -14.784 -2.435 -7.452 1.00 0.00 O ATOM 0 H SER A 11 -11.933 0.527 -6.232 1.00 0.00 H new ATOM 0 HA SER A 11 -14.148 -0.844 -5.719 1.00 0.00 H new ATOM 0 HB2 SER A 11 -12.807 -2.174 -7.974 1.00 0.00 H new ATOM 0 HB3 SER A 11 -13.083 -3.246 -6.615 1.00 0.00 H new ATOM 0 HG SER A 11 -14.942 -1.935 -8.280 1.00 0.00 H new ATOM 158 N SER A 12 -10.984 -1.517 -5.191 1.00 0.00 N ATOM 159 CA SER A 12 -10.015 -1.906 -4.179 1.00 0.00 C ATOM 160 C SER A 12 -8.852 -0.913 -4.160 1.00 0.00 C ATOM 161 O SER A 12 -8.747 -0.057 -5.037 1.00 0.00 O ATOM 162 CB SER A 12 -9.499 -3.324 -4.427 1.00 0.00 C ATOM 163 OG SER A 12 -9.833 -3.794 -5.731 1.00 0.00 O ATOM 0 H SER A 12 -10.578 -1.190 -6.067 1.00 0.00 H new ATOM 0 HA SER A 12 -10.510 -1.894 -3.208 1.00 0.00 H new ATOM 0 HB2 SER A 12 -8.416 -3.343 -4.301 1.00 0.00 H new ATOM 0 HB3 SER A 12 -9.919 -3.998 -3.680 1.00 0.00 H new ATOM 0 HG SER A 12 -9.484 -4.702 -5.851 1.00 0.00 H new ATOM 169 N ALA A 13 -8.006 -1.060 -3.151 1.00 0.00 N ATOM 170 CA ALA A 13 -6.854 -0.186 -3.006 1.00 0.00 C ATOM 171 C ALA A 13 -5.583 -1.034 -2.931 1.00 0.00 C ATOM 172 O ALA A 13 -5.499 -2.023 -2.207 1.00 0.00 O ATOM 173 CB ALA A 13 -7.037 0.700 -1.772 1.00 0.00 C ATOM 0 H ALA A 13 -8.095 -1.772 -2.426 1.00 0.00 H new ATOM 0 HA ALA A 13 -6.761 0.473 -3.869 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -6.173 1.355 -1.663 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -7.938 1.303 -1.887 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -7.131 0.074 -0.885 1.00 0.00 H new ATOM 179 N TYR A 14 -4.581 -0.618 -3.709 1.00 0.00 N ATOM 180 CA TYR A 14 -3.310 -1.313 -3.754 1.00 0.00 C ATOM 181 C TYR A 14 -2.169 -0.310 -3.664 1.00 0.00 C ATOM 182 O TYR A 14 -2.318 0.806 -4.159 1.00 0.00 O ATOM 183 CB TYR A 14 -3.220 -2.121 -5.045 1.00 0.00 C ATOM 184 CG TYR A 14 -2.887 -1.284 -6.257 1.00 0.00 C ATOM 185 CD1 TYR A 14 -1.600 -0.757 -6.412 1.00 0.00 C ATOM 186 CD2 TYR A 14 -3.866 -1.037 -7.227 1.00 0.00 C ATOM 187 CE1 TYR A 14 -1.291 0.018 -7.536 1.00 0.00 C ATOM 188 CE2 TYR A 14 -3.558 -0.262 -8.351 1.00 0.00 C ATOM 189 CZ TYR A 14 -2.270 0.266 -8.506 1.00 0.00 C ATOM 190 OH TYR A 14 -1.969 1.021 -9.601 1.00 0.00 O ATOM 0 H TYR A 14 -4.634 0.201 -4.315 1.00 0.00 H new ATOM 0 HA TYR A 14 -3.234 -1.995 -2.907 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -2.461 -2.895 -4.928 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -4.170 -2.629 -5.214 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -0.845 -0.948 -5.664 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -4.859 -1.445 -7.108 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -0.298 0.425 -7.655 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -4.313 -0.071 -9.099 1.00 0.00 H new ATOM 0 HH TYR A 14 -2.760 1.095 -10.175 1.00 0.00 H new ATOM 200 N SER A 15 -1.070 -0.716 -3.045 1.00 0.00 N ATOM 201 CA SER A 15 0.078 0.164 -2.905 1.00 0.00 C ATOM 202 C SER A 15 1.371 -0.652 -2.944 1.00 0.00 C ATOM 203 O SER A 15 1.601 -1.499 -2.082 1.00 0.00 O ATOM 204 CB SER A 15 -0.002 0.971 -1.607 1.00 0.00 C ATOM 205 OG SER A 15 0.304 2.347 -1.814 1.00 0.00 O ATOM 0 H SER A 15 -0.950 -1.642 -2.635 1.00 0.00 H new ATOM 0 HA SER A 15 0.074 0.866 -3.739 1.00 0.00 H new ATOM 0 HB2 SER A 15 -1.003 0.882 -1.186 1.00 0.00 H new ATOM 0 HB3 SER A 15 0.690 0.552 -0.876 1.00 0.00 H new ATOM 0 HG SER A 15 0.240 2.828 -0.962 1.00 0.00 H new ATOM 211 N ASN A 16 2.182 -0.369 -3.953 1.00 0.00 N ATOM 212 CA ASN A 16 3.446 -1.067 -4.116 1.00 0.00 C ATOM 213 C ASN A 16 4.595 -0.064 -4.004 1.00 0.00 C ATOM 214 O ASN A 16 4.668 0.929 -4.723 1.00 0.00 O ATOM 215 CB ASN A 16 3.533 -1.734 -5.490 1.00 0.00 C ATOM 216 CG ASN A 16 2.217 -2.427 -5.849 1.00 0.00 C ATOM 217 OD1 ASN A 16 1.452 -2.843 -4.994 1.00 0.00 O ATOM 218 ND2 ASN A 16 1.997 -2.528 -7.156 1.00 0.00 N ATOM 0 H ASN A 16 1.988 0.334 -4.666 1.00 0.00 H new ATOM 0 HA ASN A 16 3.513 -1.829 -3.340 1.00 0.00 H new ATOM 0 HB2 ASN A 16 3.772 -0.986 -6.246 1.00 0.00 H new ATOM 0 HB3 ASN A 16 4.344 -2.462 -5.494 1.00 0.00 H new ATOM 0 HD21 ASN A 16 1.146 -2.975 -7.497 1.00 0.00 H new ATOM 0 HD22 ASN A 16 2.679 -2.158 -7.818 1.00 0.00 H new ATOM 225 N TYR A 17 5.505 -0.351 -3.070 1.00 0.00 N ATOM 226 CA TYR A 17 6.654 0.500 -2.837 1.00 0.00 C ATOM 227 C TYR A 17 7.919 -0.343 -2.782 1.00 0.00 C ATOM 228 O TYR A 17 7.955 -1.314 -2.027 1.00 0.00 O ATOM 229 CB TYR A 17 6.459 1.269 -1.532 1.00 0.00 C ATOM 230 CG TYR A 17 7.131 2.621 -1.523 1.00 0.00 C ATOM 231 CD1 TYR A 17 8.473 2.738 -1.905 1.00 0.00 C ATOM 232 CD2 TYR A 17 6.412 3.757 -1.133 1.00 0.00 C ATOM 233 CE1 TYR A 17 9.096 3.992 -1.896 1.00 0.00 C ATOM 234 CE2 TYR A 17 7.036 5.011 -1.124 1.00 0.00 C ATOM 235 CZ TYR A 17 8.378 5.128 -1.506 1.00 0.00 C ATOM 236 OH TYR A 17 8.985 6.350 -1.496 1.00 0.00 O ATOM 0 H TYR A 17 5.460 -1.171 -2.465 1.00 0.00 H new ATOM 0 HA TYR A 17 6.754 1.214 -3.654 1.00 0.00 H new ATOM 0 HB2 TYR A 17 5.392 1.401 -1.354 1.00 0.00 H new ATOM 0 HB3 TYR A 17 6.849 0.673 -0.707 1.00 0.00 H new ATOM 0 HD1 TYR A 17 9.027 1.861 -2.206 1.00 0.00 H new ATOM 0 HD2 TYR A 17 5.377 3.667 -0.839 1.00 0.00 H new ATOM 0 HE1 TYR A 17 10.131 4.082 -2.190 1.00 0.00 H new ATOM 0 HE2 TYR A 17 6.482 5.888 -0.822 1.00 0.00 H new ATOM 0 HH TYR A 17 9.693 6.369 -2.173 1.00 0.00 H new ATOM 246 N HIS A 18 8.918 0.033 -3.567 1.00 0.00 N ATOM 247 CA HIS A 18 10.170 -0.704 -3.592 1.00 0.00 C ATOM 248 C HIS A 18 11.234 0.067 -2.808 1.00 0.00 C ATOM 249 O HIS A 18 11.172 1.291 -2.709 1.00 0.00 O ATOM 250 CB HIS A 18 10.595 -1.006 -5.030 1.00 0.00 C ATOM 251 CG HIS A 18 11.864 -1.817 -5.138 1.00 0.00 C ATOM 252 ND1 HIS A 18 12.074 -3.161 -5.042 1.00 0.00 N flip ATOM 253 CD2 HIS A 18 13.102 -1.244 -5.370 1.00 0.00 C flip ATOM 254 CE1 HIS A 18 13.369 -3.397 -5.208 1.00 0.00 C flip ATOM 255 NE2 HIS A 18 14.009 -2.209 -5.411 1.00 0.00 N flip ATOM 0 H HIS A 18 8.886 0.839 -4.191 1.00 0.00 H new ATOM 0 HA HIS A 18 10.038 -1.670 -3.105 1.00 0.00 H new ATOM 0 HB2 HIS A 18 9.789 -1.543 -5.531 1.00 0.00 H new ATOM 0 HB3 HIS A 18 10.731 -0.065 -5.563 1.00 0.00 H new ATOM 0 HD1 HIS A 18 11.357 -3.866 -4.871 1.00 0.00 H new ATOM 0 HD2 HIS A 18 13.296 -0.189 -5.496 1.00 0.00 H new ATOM 0 HE1 HIS A 18 13.839 -4.369 -5.186 1.00 0.00 H new ATOM 263 N HIS A 19 12.186 -0.682 -2.271 1.00 0.00 N ATOM 264 CA HIS A 19 13.262 -0.085 -1.499 1.00 0.00 C ATOM 265 C HIS A 19 14.425 -1.073 -1.389 1.00 0.00 C ATOM 266 O HIS A 19 14.220 -2.246 -1.079 1.00 0.00 O ATOM 267 CB HIS A 19 12.755 0.389 -0.136 1.00 0.00 C ATOM 268 CG HIS A 19 13.193 1.787 0.231 1.00 0.00 C ATOM 269 ND1 HIS A 19 14.462 2.076 0.701 1.00 0.00 N ATOM 270 CD2 HIS A 19 12.518 2.972 0.190 1.00 0.00 C ATOM 271 CE1 HIS A 19 14.536 3.379 0.931 1.00 0.00 C ATOM 272 NE2 HIS A 19 13.330 3.932 0.614 1.00 0.00 N ATOM 0 H HIS A 19 12.234 -1.697 -2.355 1.00 0.00 H new ATOM 0 HA HIS A 19 13.633 0.802 -2.012 1.00 0.00 H new ATOM 0 HB2 HIS A 19 11.666 0.348 -0.131 1.00 0.00 H new ATOM 0 HB3 HIS A 19 13.104 -0.303 0.631 1.00 0.00 H new ATOM 0 HD1 HIS A 19 15.213 1.401 0.846 1.00 0.00 H new ATOM 0 HD2 HIS A 19 11.496 3.106 -0.133 1.00 0.00 H new ATOM 0 HE1 HIS A 19 15.399 3.910 1.304 1.00 0.00 H new ATOM 280 N GLY A 20 15.620 -0.564 -1.648 1.00 0.00 N ATOM 281 CA GLY A 20 16.815 -1.387 -1.582 1.00 0.00 C ATOM 282 C GLY A 20 17.928 -0.677 -0.809 1.00 0.00 C ATOM 283 O GLY A 20 19.099 -0.766 -1.177 1.00 0.00 O ATOM 0 H GLY A 20 15.786 0.409 -1.904 1.00 0.00 H new ATOM 0 HA2 GLY A 20 16.581 -2.336 -1.100 1.00 0.00 H new ATOM 0 HA3 GLY A 20 17.158 -1.618 -2.591 1.00 0.00 H new ATOM 287 N SER A 21 17.524 0.013 0.248 1.00 0.00 N ATOM 288 CA SER A 21 18.473 0.738 1.075 1.00 0.00 C ATOM 289 C SER A 21 18.203 0.454 2.554 1.00 0.00 C ATOM 290 O SER A 21 19.126 0.158 3.312 1.00 0.00 O ATOM 291 CB SER A 21 18.404 2.242 0.803 1.00 0.00 C ATOM 292 OG SER A 21 17.265 2.843 1.413 1.00 0.00 O ATOM 0 H SER A 21 16.552 0.085 0.550 1.00 0.00 H new ATOM 0 HA SER A 21 19.477 0.396 0.823 1.00 0.00 H new ATOM 0 HB2 SER A 21 19.310 2.720 1.176 1.00 0.00 H new ATOM 0 HB3 SER A 21 18.373 2.415 -0.273 1.00 0.00 H new ATOM 0 HG SER A 21 17.411 3.808 1.499 1.00 0.00 H new ATOM 298 N LYS A 22 16.933 0.553 2.920 1.00 0.00 N ATOM 299 CA LYS A 22 16.530 0.310 4.295 1.00 0.00 C ATOM 300 C LYS A 22 15.137 -0.322 4.309 1.00 0.00 C ATOM 301 O LYS A 22 14.423 -0.282 3.308 1.00 0.00 O ATOM 302 CB LYS A 22 16.631 1.595 5.118 1.00 0.00 C ATOM 303 CG LYS A 22 15.332 2.400 5.039 1.00 0.00 C ATOM 304 CD LYS A 22 15.360 3.583 6.009 1.00 0.00 C ATOM 305 CE LYS A 22 15.954 4.825 5.343 1.00 0.00 C ATOM 306 NZ LYS A 22 17.153 4.466 4.553 1.00 0.00 N ATOM 0 H LYS A 22 16.170 0.798 2.289 1.00 0.00 H new ATOM 0 HA LYS A 22 17.207 -0.399 4.771 1.00 0.00 H new ATOM 0 HB2 LYS A 22 16.848 1.349 6.158 1.00 0.00 H new ATOM 0 HB3 LYS A 22 17.461 2.200 4.754 1.00 0.00 H new ATOM 0 HG2 LYS A 22 15.186 2.763 4.022 1.00 0.00 H new ATOM 0 HG3 LYS A 22 14.485 1.754 5.272 1.00 0.00 H new ATOM 0 HD2 LYS A 22 14.349 3.799 6.353 1.00 0.00 H new ATOM 0 HD3 LYS A 22 15.947 3.322 6.889 1.00 0.00 H new ATOM 0 HE2 LYS A 22 15.210 5.289 4.695 1.00 0.00 H new ATOM 0 HE3 LYS A 22 16.218 5.561 6.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 17.602 5.331 4.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 17.826 3.953 5.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 16.874 3.861 3.754 1.00 0.00 H new ATOM 319 N THR A 23 14.791 -0.891 5.455 1.00 0.00 N ATOM 320 CA THR A 23 13.496 -1.530 5.612 1.00 0.00 C ATOM 321 C THR A 23 12.378 -0.589 5.160 1.00 0.00 C ATOM 322 O THR A 23 12.536 0.630 5.196 1.00 0.00 O ATOM 323 CB THR A 23 13.363 -1.976 7.070 1.00 0.00 C ATOM 324 OG1 THR A 23 14.402 -2.937 7.235 1.00 0.00 O ATOM 325 CG2 THR A 23 12.079 -2.768 7.325 1.00 0.00 C ATOM 0 H THR A 23 15.385 -0.923 6.283 1.00 0.00 H new ATOM 0 HA THR A 23 13.411 -2.412 4.978 1.00 0.00 H new ATOM 0 HB THR A 23 13.385 -1.102 7.721 1.00 0.00 H new ATOM 0 HG1 THR A 23 14.390 -3.277 8.154 1.00 0.00 H new ATOM 0 HG21 THR A 23 12.034 -3.060 8.374 1.00 0.00 H new ATOM 0 HG22 THR A 23 11.215 -2.148 7.084 1.00 0.00 H new ATOM 0 HG23 THR A 23 12.072 -3.660 6.699 1.00 0.00 H new ATOM 333 N HIS A 24 11.273 -1.191 4.745 1.00 0.00 N ATOM 334 CA HIS A 24 10.129 -0.421 4.286 1.00 0.00 C ATOM 335 C HIS A 24 8.849 -1.236 4.486 1.00 0.00 C ATOM 336 O HIS A 24 8.893 -2.464 4.539 1.00 0.00 O ATOM 337 CB HIS A 24 10.324 0.031 2.838 1.00 0.00 C ATOM 338 CG HIS A 24 10.514 -1.104 1.860 1.00 0.00 C ATOM 339 ND1 HIS A 24 11.602 -1.958 1.906 1.00 0.00 N ATOM 340 CD2 HIS A 24 9.744 -1.517 0.813 1.00 0.00 C ATOM 341 CE1 HIS A 24 11.483 -2.841 0.925 1.00 0.00 C ATOM 342 NE2 HIS A 24 10.331 -2.565 0.248 1.00 0.00 N ATOM 0 H HIS A 24 11.145 -2.203 4.717 1.00 0.00 H new ATOM 0 HA HIS A 24 10.036 0.489 4.879 1.00 0.00 H new ATOM 0 HB2 HIS A 24 9.459 0.619 2.532 1.00 0.00 H new ATOM 0 HB3 HIS A 24 11.191 0.689 2.787 1.00 0.00 H new ATOM 0 HD2 HIS A 24 8.814 -1.068 0.497 1.00 0.00 H new ATOM 0 HE1 HIS A 24 12.176 -3.639 0.701 1.00 0.00 H new ATOM 0 HE2 HIS A 24 9.979 -3.079 -0.559 1.00 0.00 H new ATOM 351 N SER A 25 7.740 -0.519 4.591 1.00 0.00 N ATOM 352 CA SER A 25 6.450 -1.159 4.784 1.00 0.00 C ATOM 353 C SER A 25 5.350 -0.333 4.115 1.00 0.00 C ATOM 354 O SER A 25 5.338 0.892 4.220 1.00 0.00 O ATOM 355 CB SER A 25 6.144 -1.344 6.272 1.00 0.00 C ATOM 356 OG SER A 25 5.769 -0.119 6.896 1.00 0.00 O ATOM 0 H SER A 25 7.708 0.500 4.546 1.00 0.00 H new ATOM 0 HA SER A 25 6.486 -2.146 4.322 1.00 0.00 H new ATOM 0 HB2 SER A 25 5.341 -2.071 6.389 1.00 0.00 H new ATOM 0 HB3 SER A 25 7.021 -1.753 6.774 1.00 0.00 H new ATOM 0 HG SER A 25 5.580 -0.279 7.844 1.00 0.00 H new ATOM 362 N ALA A 26 4.453 -1.037 3.440 1.00 0.00 N ATOM 363 CA ALA A 26 3.351 -0.384 2.754 1.00 0.00 C ATOM 364 C ALA A 26 2.036 -0.752 3.443 1.00 0.00 C ATOM 365 O ALA A 26 1.661 -1.923 3.488 1.00 0.00 O ATOM 366 CB ALA A 26 3.365 -0.779 1.276 1.00 0.00 C ATOM 0 H ALA A 26 4.467 -2.053 3.354 1.00 0.00 H new ATOM 0 HA ALA A 26 3.456 0.700 2.804 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.539 -0.290 0.761 1.00 0.00 H new ATOM 0 HB2 ALA A 26 4.308 -0.469 0.826 1.00 0.00 H new ATOM 0 HB3 ALA A 26 3.258 -1.860 1.187 1.00 0.00 H new ATOM 372 N THR A 27 1.372 0.270 3.964 1.00 0.00 N ATOM 373 CA THR A 27 0.107 0.068 4.649 1.00 0.00 C ATOM 374 C THR A 27 -1.025 0.772 3.897 1.00 0.00 C ATOM 375 O THR A 27 -0.894 1.935 3.518 1.00 0.00 O ATOM 376 CB THR A 27 0.269 0.550 6.092 1.00 0.00 C ATOM 377 OG1 THR A 27 1.542 0.044 6.486 1.00 0.00 O ATOM 378 CG2 THR A 27 -0.714 -0.127 7.050 1.00 0.00 C ATOM 0 H THR A 27 1.686 1.240 3.925 1.00 0.00 H new ATOM 0 HA THR A 27 -0.167 -0.987 4.672 1.00 0.00 H new ATOM 0 HB THR A 27 0.128 1.630 6.132 1.00 0.00 H new ATOM 0 HG1 THR A 27 1.729 0.312 7.410 1.00 0.00 H new ATOM 0 HG21 THR A 27 -0.556 0.251 8.060 1.00 0.00 H new ATOM 0 HG22 THR A 27 -1.735 0.090 6.737 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.552 -1.205 7.036 1.00 0.00 H new ATOM 386 N VAL A 28 -2.111 0.038 3.705 1.00 0.00 N ATOM 387 CA VAL A 28 -3.264 0.577 3.005 1.00 0.00 C ATOM 388 C VAL A 28 -4.540 0.171 3.746 1.00 0.00 C ATOM 389 O VAL A 28 -4.765 -1.011 4.001 1.00 0.00 O ATOM 390 CB VAL A 28 -3.251 0.121 1.545 1.00 0.00 C ATOM 391 CG1 VAL A 28 -3.234 -1.406 1.447 1.00 0.00 C ATOM 392 CG2 VAL A 28 -4.437 0.707 0.776 1.00 0.00 C ATOM 0 H VAL A 28 -2.217 -0.926 4.022 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.227 1.666 2.991 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.336 0.496 1.086 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.225 -1.703 0.398 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.343 -1.792 1.941 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -4.122 -1.812 1.931 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.403 0.367 -0.259 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -5.368 0.377 1.236 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.385 1.795 0.802 1.00 0.00 H new ATOM 402 N VAL A 29 -5.342 1.174 4.070 1.00 0.00 N ATOM 403 CA VAL A 29 -6.589 0.937 4.777 1.00 0.00 C ATOM 404 C VAL A 29 -7.764 1.245 3.847 1.00 0.00 C ATOM 405 O VAL A 29 -7.741 2.236 3.118 1.00 0.00 O ATOM 406 CB VAL A 29 -6.621 1.753 6.071 1.00 0.00 C ATOM 407 CG1 VAL A 29 -7.943 1.549 6.815 1.00 0.00 C ATOM 408 CG2 VAL A 29 -5.429 1.409 6.966 1.00 0.00 C ATOM 0 H VAL A 29 -5.153 2.153 3.856 1.00 0.00 H new ATOM 0 HA VAL A 29 -6.670 -0.111 5.067 1.00 0.00 H new ATOM 0 HB VAL A 29 -6.546 2.807 5.804 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -7.940 2.140 7.731 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -8.770 1.867 6.181 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -8.061 0.494 7.064 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -5.476 2.003 7.879 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -5.459 0.350 7.220 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -4.502 1.629 6.437 1.00 0.00 H new ATOM 418 N ASN A 30 -8.765 0.378 3.902 1.00 0.00 N ATOM 419 CA ASN A 30 -9.946 0.545 3.073 1.00 0.00 C ATOM 420 C ASN A 30 -11.054 1.203 3.898 1.00 0.00 C ATOM 421 O ASN A 30 -11.665 0.559 4.749 1.00 0.00 O ATOM 422 CB ASN A 30 -10.466 -0.806 2.576 1.00 0.00 C ATOM 423 CG ASN A 30 -11.414 -0.626 1.389 1.00 0.00 C ATOM 424 OD1 ASN A 30 -12.140 -1.704 1.108 1.00 0.00 O flip ATOM 425 ND2 ASN A 30 -11.483 0.423 0.770 1.00 0.00 N flip ATOM 0 H ASN A 30 -8.782 -0.442 4.508 1.00 0.00 H new ATOM 0 HA ASN A 30 -9.673 1.163 2.218 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -9.627 -1.437 2.283 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -10.984 -1.320 3.385 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -10.897 1.213 1.039 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -12.127 0.510 -0.016 1.00 0.00 H new ATOM 432 N ASN A 31 -11.278 2.478 3.617 1.00 0.00 N ATOM 433 CA ASN A 31 -12.301 3.231 4.323 1.00 0.00 C ATOM 434 C ASN A 31 -13.619 3.141 3.550 1.00 0.00 C ATOM 435 O ASN A 31 -13.978 4.063 2.819 1.00 0.00 O ATOM 436 CB ASN A 31 -11.919 4.708 4.435 1.00 0.00 C ATOM 437 CG ASN A 31 -12.615 5.365 5.629 1.00 0.00 C ATOM 438 OD1 ASN A 31 -13.319 4.730 6.397 1.00 0.00 O ATOM 439 ND2 ASN A 31 -12.379 6.669 5.742 1.00 0.00 N ATOM 0 H ASN A 31 -10.769 3.009 2.910 1.00 0.00 H new ATOM 0 HA ASN A 31 -12.402 2.808 5.322 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -10.838 4.801 4.543 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -12.193 5.229 3.518 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -12.798 7.199 6.507 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -11.779 7.139 5.064 1.00 0.00 H new ATOM 446 N ASN A 32 -14.303 2.022 3.739 1.00 0.00 N ATOM 447 CA ASN A 32 -15.573 1.800 3.068 1.00 0.00 C ATOM 448 C ASN A 32 -16.327 0.672 3.775 1.00 0.00 C ATOM 449 O ASN A 32 -17.443 0.871 4.252 1.00 0.00 O ATOM 450 CB ASN A 32 -15.361 1.385 1.611 1.00 0.00 C ATOM 451 CG ASN A 32 -16.630 0.761 1.028 1.00 0.00 C ATOM 452 OD1 ASN A 32 -16.613 -0.304 0.434 1.00 0.00 O ATOM 453 ND2 ASN A 32 -17.730 1.481 1.231 1.00 0.00 N ATOM 0 H ASN A 32 -14.002 1.260 4.347 1.00 0.00 H new ATOM 0 HA ASN A 32 -16.138 2.731 3.099 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -15.074 2.255 1.020 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -14.539 0.672 1.548 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -18.629 1.149 0.881 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -17.675 2.365 1.737 1.00 0.00 H new ATOM 460 N THR A 33 -15.687 -0.487 3.821 1.00 0.00 N ATOM 461 CA THR A 33 -16.284 -1.647 4.461 1.00 0.00 C ATOM 462 C THR A 33 -15.528 -1.995 5.745 1.00 0.00 C ATOM 463 O THR A 33 -16.021 -2.762 6.571 1.00 0.00 O ATOM 464 CB THR A 33 -16.309 -2.789 3.443 1.00 0.00 C ATOM 465 OG1 THR A 33 -14.936 -3.127 3.266 1.00 0.00 O ATOM 466 CG2 THR A 33 -16.761 -2.327 2.056 1.00 0.00 C ATOM 0 H THR A 33 -14.761 -0.648 3.425 1.00 0.00 H new ATOM 0 HA THR A 33 -17.310 -1.444 4.769 1.00 0.00 H new ATOM 0 HB THR A 33 -16.974 -3.577 3.798 1.00 0.00 H new ATOM 0 HG1 THR A 33 -14.860 -3.862 2.622 1.00 0.00 H new ATOM 0 HG21 THR A 33 -16.761 -3.176 1.372 1.00 0.00 H new ATOM 0 HG22 THR A 33 -17.767 -1.913 2.120 1.00 0.00 H new ATOM 0 HG23 THR A 33 -16.077 -1.563 1.686 1.00 0.00 H new ATOM 474 N GLY A 34 -14.344 -1.414 5.873 1.00 0.00 N ATOM 475 CA GLY A 34 -13.516 -1.653 7.042 1.00 0.00 C ATOM 476 C GLY A 34 -12.429 -2.687 6.742 1.00 0.00 C ATOM 477 O GLY A 34 -12.362 -3.730 7.390 1.00 0.00 O ATOM 0 H GLY A 34 -13.939 -0.778 5.186 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -13.055 -0.719 7.363 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -14.137 -2.002 7.867 1.00 0.00 H new ATOM 481 N ARG A 35 -11.603 -2.361 5.758 1.00 0.00 N ATOM 482 CA ARG A 35 -10.522 -3.249 5.363 1.00 0.00 C ATOM 483 C ARG A 35 -9.168 -2.590 5.635 1.00 0.00 C ATOM 484 O ARG A 35 -9.067 -1.365 5.677 1.00 0.00 O ATOM 485 CB ARG A 35 -10.618 -3.607 3.879 1.00 0.00 C ATOM 486 CG ARG A 35 -10.640 -5.124 3.682 1.00 0.00 C ATOM 487 CD ARG A 35 -12.076 -5.647 3.608 1.00 0.00 C ATOM 488 NE ARG A 35 -12.371 -6.482 4.794 1.00 0.00 N ATOM 489 CZ ARG A 35 -12.089 -7.800 4.881 1.00 0.00 C ATOM 490 NH1 ARG A 35 -11.500 -8.444 3.852 1.00 0.00 N ATOM 491 NH2 ARG A 35 -12.397 -8.448 5.989 1.00 0.00 N ATOM 0 H ARG A 35 -11.661 -1.495 5.223 1.00 0.00 H new ATOM 0 HA ARG A 35 -10.611 -4.162 5.952 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -11.520 -3.168 3.453 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -9.771 -3.179 3.342 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -10.107 -5.383 2.767 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -10.115 -5.609 4.505 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -12.774 -4.811 3.558 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -12.213 -6.231 2.698 1.00 0.00 H new ATOM 0 HE ARG A 35 -12.815 -6.034 5.596 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -11.264 -7.935 3.000 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -11.291 -9.440 3.926 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -12.841 -7.953 6.763 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -12.191 -9.444 6.072 1.00 0.00 H new ATOM 504 N GLN A 36 -8.161 -3.432 5.813 1.00 0.00 N ATOM 505 CA GLN A 36 -6.818 -2.947 6.080 1.00 0.00 C ATOM 506 C GLN A 36 -5.785 -4.010 5.702 1.00 0.00 C ATOM 507 O GLN A 36 -6.012 -5.202 5.906 1.00 0.00 O ATOM 508 CB GLN A 36 -6.666 -2.532 7.545 1.00 0.00 C ATOM 509 CG GLN A 36 -5.922 -3.603 8.344 1.00 0.00 C ATOM 510 CD GLN A 36 -6.237 -3.490 9.837 1.00 0.00 C ATOM 511 OE1 GLN A 36 -7.004 -2.649 10.275 1.00 0.00 O ATOM 512 NE2 GLN A 36 -5.603 -4.383 10.593 1.00 0.00 N ATOM 0 H GLN A 36 -8.248 -4.448 5.778 1.00 0.00 H new ATOM 0 HA GLN A 36 -6.643 -2.063 5.466 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -6.125 -1.587 7.605 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -7.650 -2.364 7.983 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -6.203 -4.592 7.983 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -4.848 -3.500 8.186 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -4.974 -5.061 10.163 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -5.746 -4.390 11.603 1.00 0.00 H new ATOM 521 N GLY A 37 -4.672 -3.541 5.158 1.00 0.00 N ATOM 522 CA GLY A 37 -3.603 -4.436 4.749 1.00 0.00 C ATOM 523 C GLY A 37 -2.233 -3.852 5.100 1.00 0.00 C ATOM 524 O GLY A 37 -2.141 -2.725 5.583 1.00 0.00 O ATOM 0 H GLY A 37 -4.487 -2.552 4.991 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -3.726 -5.402 5.238 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.663 -4.612 3.675 1.00 0.00 H new ATOM 528 N LYS A 38 -1.203 -4.645 4.843 1.00 0.00 N ATOM 529 CA LYS A 38 0.157 -4.220 5.126 1.00 0.00 C ATOM 530 C LYS A 38 1.129 -5.323 4.702 1.00 0.00 C ATOM 531 O LYS A 38 0.908 -6.497 4.994 1.00 0.00 O ATOM 532 CB LYS A 38 0.296 -3.809 6.593 1.00 0.00 C ATOM 533 CG LYS A 38 -0.042 -4.975 7.524 1.00 0.00 C ATOM 534 CD LYS A 38 1.201 -5.816 7.822 1.00 0.00 C ATOM 535 CE LYS A 38 1.981 -5.242 9.006 1.00 0.00 C ATOM 536 NZ LYS A 38 1.140 -5.230 10.224 1.00 0.00 N ATOM 0 H LYS A 38 -1.283 -5.579 4.442 1.00 0.00 H new ATOM 0 HA LYS A 38 0.407 -3.332 4.545 1.00 0.00 H new ATOM 0 HB2 LYS A 38 1.314 -3.470 6.784 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -0.365 -2.968 6.803 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -0.459 -4.592 8.456 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -0.808 -5.601 7.066 1.00 0.00 H new ATOM 0 HD2 LYS A 38 0.906 -6.843 8.040 1.00 0.00 H new ATOM 0 HD3 LYS A 38 1.842 -5.848 6.941 1.00 0.00 H new ATOM 0 HE2 LYS A 38 2.877 -5.837 9.182 1.00 0.00 H new ATOM 0 HE3 LYS A 38 2.311 -4.229 8.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 1.742 -5.356 11.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 0.639 -4.321 10.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 0.447 -6.004 10.175 1.00 0.00 H new ATOM 549 N ASP A 39 2.186 -4.906 4.020 1.00 0.00 N ATOM 550 CA ASP A 39 3.193 -5.843 3.553 1.00 0.00 C ATOM 551 C ASP A 39 4.579 -5.342 3.962 1.00 0.00 C ATOM 552 O ASP A 39 5.298 -4.761 3.149 1.00 0.00 O ATOM 553 CB ASP A 39 3.165 -5.967 2.028 1.00 0.00 C ATOM 554 CG ASP A 39 1.945 -6.693 1.460 1.00 0.00 C ATOM 555 OD1 ASP A 39 0.794 -6.340 1.759 1.00 0.00 O ATOM 556 OD2 ASP A 39 2.215 -7.675 0.668 1.00 0.00 O ATOM 0 H ASP A 39 2.367 -3.931 3.780 1.00 0.00 H new ATOM 0 HA ASP A 39 2.981 -6.815 3.998 1.00 0.00 H new ATOM 0 HB2 ASP A 39 3.207 -4.967 1.597 1.00 0.00 H new ATOM 0 HB3 ASP A 39 4.064 -6.492 1.705 1.00 0.00 H new ATOM 562 N THR A 40 4.914 -5.585 5.220 1.00 0.00 N ATOM 563 CA THR A 40 6.202 -5.165 5.747 1.00 0.00 C ATOM 564 C THR A 40 7.310 -6.095 5.249 1.00 0.00 C ATOM 565 O THR A 40 7.154 -7.315 5.262 1.00 0.00 O ATOM 566 CB THR A 40 6.094 -5.109 7.272 1.00 0.00 C ATOM 567 OG1 THR A 40 5.049 -4.170 7.512 1.00 0.00 O ATOM 568 CG2 THR A 40 7.324 -4.474 7.923 1.00 0.00 C ATOM 0 H THR A 40 4.316 -6.068 5.891 1.00 0.00 H new ATOM 0 HA THR A 40 6.471 -4.171 5.390 1.00 0.00 H new ATOM 0 HB THR A 40 5.957 -6.117 7.663 1.00 0.00 H new ATOM 0 HG1 THR A 40 4.911 -4.074 8.477 1.00 0.00 H new ATOM 0 HG21 THR A 40 7.196 -4.459 9.005 1.00 0.00 H new ATOM 0 HG22 THR A 40 8.210 -5.056 7.671 1.00 0.00 H new ATOM 0 HG23 THR A 40 7.443 -3.454 7.558 1.00 0.00 H new ATOM 576 N GLN A 41 8.405 -5.482 4.823 1.00 0.00 N ATOM 577 CA GLN A 41 9.539 -6.240 4.323 1.00 0.00 C ATOM 578 C GLN A 41 10.846 -5.507 4.633 1.00 0.00 C ATOM 579 O GLN A 41 10.828 -4.362 5.081 1.00 0.00 O ATOM 580 CB GLN A 41 9.402 -6.505 2.822 1.00 0.00 C ATOM 581 CG GLN A 41 8.043 -7.127 2.497 1.00 0.00 C ATOM 582 CD GLN A 41 7.921 -8.526 3.104 1.00 0.00 C ATOM 583 OE1 GLN A 41 8.759 -8.974 3.869 1.00 0.00 O ATOM 584 NE2 GLN A 41 6.832 -9.188 2.723 1.00 0.00 N ATOM 0 H GLN A 41 8.531 -4.470 4.814 1.00 0.00 H new ATOM 0 HA GLN A 41 9.558 -7.205 4.829 1.00 0.00 H new ATOM 0 HB2 GLN A 41 9.519 -5.571 2.272 1.00 0.00 H new ATOM 0 HB3 GLN A 41 10.199 -7.171 2.492 1.00 0.00 H new ATOM 0 HG2 GLN A 41 7.246 -6.490 2.881 1.00 0.00 H new ATOM 0 HG3 GLN A 41 7.914 -7.183 1.416 1.00 0.00 H new ATOM 0 HE21 GLN A 41 6.170 -8.754 2.079 1.00 0.00 H new ATOM 0 HE22 GLN A 41 6.659 -10.130 3.074 1.00 0.00 H new ATOM 593 N ARG A 42 11.949 -6.198 4.382 1.00 0.00 N ATOM 594 CA ARG A 42 13.262 -5.628 4.630 1.00 0.00 C ATOM 595 C ARG A 42 13.758 -4.880 3.391 1.00 0.00 C ATOM 596 O ARG A 42 13.001 -4.669 2.444 1.00 0.00 O ATOM 597 CB ARG A 42 14.274 -6.714 5.000 1.00 0.00 C ATOM 598 CG ARG A 42 14.561 -7.626 3.806 1.00 0.00 C ATOM 599 CD ARG A 42 16.066 -7.812 3.608 1.00 0.00 C ATOM 600 NE ARG A 42 16.711 -8.134 4.900 1.00 0.00 N ATOM 601 CZ ARG A 42 16.775 -9.376 5.425 1.00 0.00 C ATOM 602 NH1 ARG A 42 16.232 -10.425 4.771 1.00 0.00 N ATOM 603 NH2 ARG A 42 17.376 -9.549 6.588 1.00 0.00 N ATOM 0 H ARG A 42 11.960 -7.147 4.009 1.00 0.00 H new ATOM 0 HA ARG A 42 13.169 -4.934 5.466 1.00 0.00 H new ATOM 0 HB2 ARG A 42 15.201 -6.252 5.340 1.00 0.00 H new ATOM 0 HB3 ARG A 42 13.890 -7.306 5.830 1.00 0.00 H new ATOM 0 HG2 ARG A 42 14.089 -8.596 3.963 1.00 0.00 H new ATOM 0 HG3 ARG A 42 14.122 -7.199 2.904 1.00 0.00 H new ATOM 0 HD2 ARG A 42 16.251 -8.612 2.891 1.00 0.00 H new ATOM 0 HD3 ARG A 42 16.501 -6.904 3.191 1.00 0.00 H new ATOM 0 HE ARG A 42 17.134 -7.370 5.427 1.00 0.00 H new ATOM 0 HH11 ARG A 42 15.769 -10.282 3.873 1.00 0.00 H new ATOM 0 HH12 ARG A 42 16.285 -11.360 5.175 1.00 0.00 H new ATOM 0 HH21 ARG A 42 17.783 -8.751 7.075 1.00 0.00 H new ATOM 0 HH22 ARG A 42 17.433 -10.481 6.999 1.00 0.00 H new ATOM 616 N ALA A 43 15.026 -4.499 3.437 1.00 0.00 N ATOM 617 CA ALA A 43 15.632 -3.779 2.330 1.00 0.00 C ATOM 618 C ALA A 43 15.812 -4.730 1.145 1.00 0.00 C ATOM 619 O ALA A 43 16.384 -5.809 1.293 1.00 0.00 O ATOM 620 CB ALA A 43 16.954 -3.159 2.786 1.00 0.00 C ATOM 0 H ALA A 43 15.651 -4.675 4.224 1.00 0.00 H new ATOM 0 HA ALA A 43 14.986 -2.964 2.003 1.00 0.00 H new ATOM 0 HB1 ALA A 43 17.408 -2.619 1.955 1.00 0.00 H new ATOM 0 HB2 ALA A 43 16.768 -2.469 3.609 1.00 0.00 H new ATOM 0 HB3 ALA A 43 17.630 -3.947 3.119 1.00 0.00 H new ATOM 626 N GLY A 44 15.313 -4.297 -0.003 1.00 0.00 N ATOM 627 CA GLY A 44 15.412 -5.097 -1.212 1.00 0.00 C ATOM 628 C GLY A 44 14.215 -6.041 -1.343 1.00 0.00 C ATOM 629 O GLY A 44 14.341 -7.243 -1.114 1.00 0.00 O ATOM 0 H GLY A 44 14.839 -3.402 -0.122 1.00 0.00 H new ATOM 0 HA2 GLY A 44 15.461 -4.443 -2.082 1.00 0.00 H new ATOM 0 HA3 GLY A 44 16.336 -5.675 -1.195 1.00 0.00 H new ATOM 633 N VAL A 45 13.083 -5.461 -1.712 1.00 0.00 N ATOM 634 CA VAL A 45 11.864 -6.236 -1.877 1.00 0.00 C ATOM 635 C VAL A 45 10.741 -5.316 -2.360 1.00 0.00 C ATOM 636 O VAL A 45 10.851 -4.095 -2.266 1.00 0.00 O ATOM 637 CB VAL A 45 11.524 -6.960 -0.572 1.00 0.00 C ATOM 638 CG1 VAL A 45 10.718 -6.056 0.362 1.00 0.00 C ATOM 639 CG2 VAL A 45 10.779 -8.267 -0.849 1.00 0.00 C ATOM 0 H VAL A 45 12.983 -4.464 -1.902 1.00 0.00 H new ATOM 0 HA VAL A 45 12.001 -7.007 -2.635 1.00 0.00 H new ATOM 0 HB VAL A 45 12.460 -7.208 -0.072 1.00 0.00 H new ATOM 0 HG11 VAL A 45 10.489 -6.594 1.282 1.00 0.00 H new ATOM 0 HG12 VAL A 45 11.300 -5.165 0.598 1.00 0.00 H new ATOM 0 HG13 VAL A 45 9.789 -5.763 -0.127 1.00 0.00 H new ATOM 0 HG21 VAL A 45 10.549 -8.762 0.095 1.00 0.00 H new ATOM 0 HG22 VAL A 45 9.852 -8.052 -1.381 1.00 0.00 H new ATOM 0 HG23 VAL A 45 11.404 -8.920 -1.458 1.00 0.00 H new ATOM 649 N TRP A 46 9.687 -5.939 -2.866 1.00 0.00 N ATOM 650 CA TRP A 46 8.545 -5.191 -3.365 1.00 0.00 C ATOM 651 C TRP A 46 7.385 -5.392 -2.387 1.00 0.00 C ATOM 652 O TRP A 46 6.839 -6.489 -2.284 1.00 0.00 O ATOM 653 CB TRP A 46 8.200 -5.607 -4.796 1.00 0.00 C ATOM 654 CG TRP A 46 8.879 -4.758 -5.872 1.00 0.00 C ATOM 655 CD1 TRP A 46 9.997 -5.034 -6.557 1.00 0.00 C ATOM 656 CD2 TRP A 46 8.435 -3.476 -6.363 1.00 0.00 C ATOM 657 NE1 TRP A 46 10.306 -4.027 -7.449 1.00 0.00 N ATOM 658 CE2 TRP A 46 9.325 -3.050 -7.327 1.00 0.00 C ATOM 659 CE3 TRP A 46 7.317 -2.701 -6.004 1.00 0.00 C ATOM 660 CZ2 TRP A 46 9.190 -1.836 -8.012 1.00 0.00 C ATOM 661 CZ3 TRP A 46 7.197 -1.491 -6.697 1.00 0.00 C ATOM 662 CH2 TRP A 46 8.085 -1.048 -7.671 1.00 0.00 C ATOM 0 H TRP A 46 9.600 -6.952 -2.941 1.00 0.00 H new ATOM 0 HA TRP A 46 8.774 -4.127 -3.419 1.00 0.00 H new ATOM 0 HB2 TRP A 46 8.483 -6.650 -4.938 1.00 0.00 H new ATOM 0 HB3 TRP A 46 7.120 -5.549 -4.930 1.00 0.00 H new ATOM 0 HD1 TRP A 46 10.583 -5.932 -6.427 1.00 0.00 H new ATOM 0 HE1 TRP A 46 11.106 -4.004 -8.081 1.00 0.00 H new ATOM 0 HE3 TRP A 46 6.607 -3.015 -5.253 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 9.901 -1.525 -8.763 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 6.356 -0.857 -6.459 1.00 0.00 H new ATOM 0 HH2 TRP A 46 7.923 -0.100 -8.162 1.00 0.00 H new ATOM 673 N ALA A 47 7.044 -4.315 -1.695 1.00 0.00 N ATOM 674 CA ALA A 47 5.959 -4.359 -0.729 1.00 0.00 C ATOM 675 C ALA A 47 4.652 -3.966 -1.418 1.00 0.00 C ATOM 676 O ALA A 47 4.408 -2.786 -1.668 1.00 0.00 O ATOM 677 CB ALA A 47 6.292 -3.448 0.455 1.00 0.00 C ATOM 0 H ALA A 47 7.500 -3.407 -1.784 1.00 0.00 H new ATOM 0 HA ALA A 47 5.834 -5.369 -0.338 1.00 0.00 H new ATOM 0 HB1 ALA A 47 5.478 -3.481 1.180 1.00 0.00 H new ATOM 0 HB2 ALA A 47 7.213 -3.788 0.928 1.00 0.00 H new ATOM 0 HB3 ALA A 47 6.422 -2.425 0.102 1.00 0.00 H new ATOM 683 N LYS A 48 3.844 -4.976 -1.707 1.00 0.00 N ATOM 684 CA LYS A 48 2.568 -4.750 -2.363 1.00 0.00 C ATOM 685 C LYS A 48 1.434 -5.067 -1.387 1.00 0.00 C ATOM 686 O LYS A 48 1.265 -6.215 -0.978 1.00 0.00 O ATOM 687 CB LYS A 48 2.491 -5.539 -3.672 1.00 0.00 C ATOM 688 CG LYS A 48 3.859 -5.602 -4.355 1.00 0.00 C ATOM 689 CD LYS A 48 3.738 -5.312 -5.853 1.00 0.00 C ATOM 690 CE LYS A 48 3.865 -6.598 -6.672 1.00 0.00 C ATOM 691 NZ LYS A 48 2.543 -7.015 -7.191 1.00 0.00 N ATOM 0 H LYS A 48 4.049 -5.953 -1.498 1.00 0.00 H new ATOM 0 HA LYS A 48 2.464 -3.702 -2.643 1.00 0.00 H new ATOM 0 HB2 LYS A 48 2.134 -6.549 -3.472 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.768 -5.072 -4.340 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.533 -4.880 -3.894 1.00 0.00 H new ATOM 0 HG3 LYS A 48 4.299 -6.588 -4.206 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.778 -4.839 -6.059 1.00 0.00 H new ATOM 0 HD3 LYS A 48 4.512 -4.607 -6.154 1.00 0.00 H new ATOM 0 HE2 LYS A 48 4.555 -6.441 -7.501 1.00 0.00 H new ATOM 0 HE3 LYS A 48 4.286 -7.390 -6.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 2.647 -7.889 -7.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 1.895 -7.184 -6.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 2.156 -6.265 -7.799 1.00 0.00 H new ATOM 704 N ALA A 49 0.686 -4.030 -1.040 1.00 0.00 N ATOM 705 CA ALA A 49 -0.427 -4.184 -0.119 1.00 0.00 C ATOM 706 C ALA A 49 -1.742 -4.028 -0.884 1.00 0.00 C ATOM 707 O ALA A 49 -1.825 -3.247 -1.831 1.00 0.00 O ATOM 708 CB ALA A 49 -0.291 -3.170 1.019 1.00 0.00 C ATOM 0 H ALA A 49 0.829 -3.079 -1.380 1.00 0.00 H new ATOM 0 HA ALA A 49 -0.421 -5.179 0.327 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -1.126 -3.285 1.710 1.00 0.00 H new ATOM 0 HB2 ALA A 49 0.646 -3.342 1.549 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -0.296 -2.160 0.609 1.00 0.00 H new ATOM 714 N THR A 50 -2.739 -4.783 -0.446 1.00 0.00 N ATOM 715 CA THR A 50 -4.046 -4.739 -1.078 1.00 0.00 C ATOM 716 C THR A 50 -5.150 -4.903 -0.032 1.00 0.00 C ATOM 717 O THR A 50 -4.957 -5.575 0.980 1.00 0.00 O ATOM 718 CB THR A 50 -4.080 -5.810 -2.170 1.00 0.00 C ATOM 719 OG1 THR A 50 -4.030 -5.069 -3.386 1.00 0.00 O ATOM 720 CG2 THR A 50 -5.423 -6.540 -2.233 1.00 0.00 C ATOM 0 H THR A 50 -2.667 -5.429 0.340 1.00 0.00 H new ATOM 0 HA THR A 50 -4.226 -3.771 -1.546 1.00 0.00 H new ATOM 0 HB THR A 50 -3.283 -6.532 -1.994 1.00 0.00 H new ATOM 0 HG1 THR A 50 -4.046 -5.687 -4.146 1.00 0.00 H new ATOM 0 HG21 THR A 50 -5.393 -7.289 -3.024 1.00 0.00 H new ATOM 0 HG22 THR A 50 -5.617 -7.029 -1.278 1.00 0.00 H new ATOM 0 HG23 THR A 50 -6.217 -5.823 -2.442 1.00 0.00 H new ATOM 728 N VAL A 51 -6.284 -4.277 -0.312 1.00 0.00 N ATOM 729 CA VAL A 51 -7.419 -4.344 0.593 1.00 0.00 C ATOM 730 C VAL A 51 -8.652 -3.760 -0.099 1.00 0.00 C ATOM 731 O VAL A 51 -8.540 -2.827 -0.893 1.00 0.00 O ATOM 732 CB VAL A 51 -7.082 -3.640 1.909 1.00 0.00 C ATOM 733 CG1 VAL A 51 -6.572 -4.639 2.950 1.00 0.00 C ATOM 734 CG2 VAL A 51 -6.069 -2.515 1.686 1.00 0.00 C ATOM 0 H VAL A 51 -6.441 -3.721 -1.153 1.00 0.00 H new ATOM 0 HA VAL A 51 -7.647 -5.380 0.844 1.00 0.00 H new ATOM 0 HB VAL A 51 -7.999 -3.193 2.294 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.340 -4.113 3.876 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -7.340 -5.389 3.141 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -5.673 -5.128 2.575 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -5.847 -2.031 2.637 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -5.152 -2.929 1.267 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -6.485 -1.782 0.995 1.00 0.00 H new ATOM 744 N GLY A 52 -9.802 -4.333 0.228 1.00 0.00 N ATOM 745 CA GLY A 52 -11.055 -3.880 -0.353 1.00 0.00 C ATOM 746 C GLY A 52 -11.313 -4.561 -1.698 1.00 0.00 C ATOM 747 O GLY A 52 -10.559 -5.443 -2.107 1.00 0.00 O ATOM 0 H GLY A 52 -9.892 -5.106 0.887 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -11.876 -4.095 0.331 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -11.028 -2.799 -0.488 1.00 0.00 H new ATOM 751 N ARG A 53 -12.381 -4.126 -2.350 1.00 0.00 N ATOM 752 CA ARG A 53 -12.748 -4.682 -3.641 1.00 0.00 C ATOM 753 C ARG A 53 -14.270 -4.789 -3.759 1.00 0.00 C ATOM 754 O ARG A 53 -14.858 -5.794 -3.362 1.00 0.00 O ATOM 755 CB ARG A 53 -12.130 -6.068 -3.840 1.00 0.00 C ATOM 756 CG ARG A 53 -12.855 -6.839 -4.944 1.00 0.00 C ATOM 757 CD ARG A 53 -13.164 -5.929 -6.136 1.00 0.00 C ATOM 758 NE ARG A 53 -13.058 -6.695 -7.398 1.00 0.00 N ATOM 759 CZ ARG A 53 -11.920 -7.272 -7.840 1.00 0.00 C ATOM 760 NH1 ARG A 53 -10.779 -7.174 -7.124 1.00 0.00 N ATOM 761 NH2 ARG A 53 -11.939 -7.933 -8.982 1.00 0.00 N ATOM 0 H ARG A 53 -13.004 -3.395 -2.008 1.00 0.00 H new ATOM 0 HA ARG A 53 -12.366 -4.012 -4.411 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -11.075 -5.966 -4.095 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -12.180 -6.629 -2.907 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -12.240 -7.677 -5.271 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -13.782 -7.258 -4.552 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -14.167 -5.513 -6.036 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -12.470 -5.088 -6.152 1.00 0.00 H new ATOM 0 HE ARG A 53 -13.897 -6.793 -7.970 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -10.773 -6.661 -6.242 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -9.924 -7.613 -7.465 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -12.805 -8.002 -9.517 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -11.088 -8.375 -9.330 1.00 0.00 H new ATOM 774 N ASN A 54 -14.864 -3.739 -4.307 1.00 0.00 N ATOM 775 CA ASN A 54 -16.306 -3.702 -4.483 1.00 0.00 C ATOM 776 C ASN A 54 -16.646 -2.825 -5.690 1.00 0.00 C ATOM 777 O ASN A 54 -17.005 -3.335 -6.750 1.00 0.00 O ATOM 778 CB ASN A 54 -16.995 -3.104 -3.255 1.00 0.00 C ATOM 779 CG ASN A 54 -17.558 -4.203 -2.352 1.00 0.00 C ATOM 780 OD1 ASN A 54 -17.378 -4.204 -1.145 1.00 0.00 O ATOM 781 ND2 ASN A 54 -18.248 -5.136 -3.002 1.00 0.00 N ATOM 0 H ASN A 54 -14.373 -2.907 -4.635 1.00 0.00 H new ATOM 0 HA ASN A 54 -16.654 -4.724 -4.630 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -16.284 -2.497 -2.695 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -17.800 -2.441 -3.572 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -18.665 -5.913 -2.489 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -18.361 -5.075 -4.014 1.00 0.00 H new ATOM 788 N LEU A 55 -16.522 -1.522 -5.488 1.00 0.00 N ATOM 789 CA LEU A 55 -16.812 -0.569 -6.546 1.00 0.00 C ATOM 790 C LEU A 55 -16.842 0.844 -5.961 1.00 0.00 C ATOM 791 O LEU A 55 -17.714 1.167 -5.155 1.00 0.00 O ATOM 792 CB LEU A 55 -18.097 -0.959 -7.280 1.00 0.00 C ATOM 793 CG LEU A 55 -19.157 0.138 -7.404 1.00 0.00 C ATOM 794 CD1 LEU A 55 -19.956 -0.016 -8.699 1.00 0.00 C ATOM 795 CD2 LEU A 55 -20.063 0.167 -6.171 1.00 0.00 C ATOM 0 H LEU A 55 -16.224 -1.103 -4.607 1.00 0.00 H new ATOM 0 HA LEU A 55 -16.024 -0.585 -7.299 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -17.832 -1.296 -8.282 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -18.542 -1.810 -6.765 1.00 0.00 H new ATOM 0 HG LEU A 55 -18.648 1.101 -7.452 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -20.702 0.776 -8.762 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -19.282 0.052 -9.553 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -20.454 -0.985 -8.706 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -20.807 0.955 -6.285 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -20.566 -0.794 -6.066 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -19.462 0.361 -5.282 1.00 0.00 H new ATOM 807 N THR A 56 -15.879 1.648 -6.388 1.00 0.00 N ATOM 808 CA THR A 56 -15.785 3.018 -5.916 1.00 0.00 C ATOM 809 C THR A 56 -15.736 3.054 -4.387 1.00 0.00 C ATOM 810 O THR A 56 -16.661 2.591 -3.723 1.00 0.00 O ATOM 811 CB THR A 56 -16.958 3.804 -6.505 1.00 0.00 C ATOM 812 OG1 THR A 56 -18.086 3.352 -5.762 1.00 0.00 O ATOM 813 CG2 THR A 56 -17.273 3.394 -7.946 1.00 0.00 C ATOM 0 H THR A 56 -15.157 1.376 -7.056 1.00 0.00 H new ATOM 0 HA THR A 56 -14.860 3.488 -6.251 1.00 0.00 H new ATOM 0 HB THR A 56 -16.734 4.870 -6.471 1.00 0.00 H new ATOM 0 HG1 THR A 56 -17.792 2.720 -5.073 1.00 0.00 H new ATOM 0 HG21 THR A 56 -18.113 3.982 -8.316 1.00 0.00 H new ATOM 0 HG22 THR A 56 -16.400 3.573 -8.574 1.00 0.00 H new ATOM 0 HG23 THR A 56 -17.530 2.335 -7.975 1.00 0.00 H new ATOM 821 N GLU A 57 -14.647 3.608 -3.875 1.00 0.00 N ATOM 822 CA GLU A 57 -14.466 3.710 -2.436 1.00 0.00 C ATOM 823 C GLU A 57 -13.161 4.442 -2.117 1.00 0.00 C ATOM 824 O GLU A 57 -12.279 4.546 -2.967 1.00 0.00 O ATOM 825 CB GLU A 57 -14.493 2.327 -1.781 1.00 0.00 C ATOM 826 CG GLU A 57 -13.590 1.347 -2.532 1.00 0.00 C ATOM 827 CD GLU A 57 -14.391 0.151 -3.051 1.00 0.00 C ATOM 828 OE1 GLU A 57 -14.357 -0.929 -2.443 1.00 0.00 O ATOM 829 OE2 GLU A 57 -15.068 0.373 -4.126 1.00 0.00 O ATOM 0 H GLU A 57 -13.881 3.991 -4.430 1.00 0.00 H new ATOM 0 HA GLU A 57 -15.294 4.287 -2.024 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -14.167 2.406 -0.744 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -15.515 1.948 -1.766 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -13.109 1.857 -3.367 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -12.796 0.999 -1.871 1.00 0.00 H new ATOM 837 N LYS A 58 -13.080 4.931 -0.888 1.00 0.00 N ATOM 838 CA LYS A 58 -11.898 5.651 -0.445 1.00 0.00 C ATOM 839 C LYS A 58 -10.884 4.657 0.123 1.00 0.00 C ATOM 840 O LYS A 58 -11.206 3.488 0.335 1.00 0.00 O ATOM 841 CB LYS A 58 -12.283 6.763 0.532 1.00 0.00 C ATOM 842 CG LYS A 58 -13.062 7.872 -0.178 1.00 0.00 C ATOM 843 CD LYS A 58 -12.121 8.788 -0.962 1.00 0.00 C ATOM 844 CE LYS A 58 -12.907 9.737 -1.868 1.00 0.00 C ATOM 845 NZ LYS A 58 -11.996 10.698 -2.528 1.00 0.00 N ATOM 0 H LYS A 58 -13.814 4.843 -0.185 1.00 0.00 H new ATOM 0 HA LYS A 58 -11.418 6.150 -1.287 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -12.887 6.349 1.340 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -11.384 7.179 0.987 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -13.794 7.431 -0.855 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -13.618 8.457 0.555 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -11.509 9.365 -0.269 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -11.440 8.186 -1.564 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -13.449 9.165 -2.621 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -13.651 10.276 -1.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -12.546 11.335 -3.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -11.498 11.256 -1.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -11.302 10.179 -3.104 1.00 0.00 H new ATOM 858 N ALA A 59 -9.679 5.157 0.354 1.00 0.00 N ATOM 859 CA ALA A 59 -8.615 4.327 0.894 1.00 0.00 C ATOM 860 C ALA A 59 -7.496 5.223 1.429 1.00 0.00 C ATOM 861 O ALA A 59 -7.307 6.339 0.948 1.00 0.00 O ATOM 862 CB ALA A 59 -8.122 3.362 -0.187 1.00 0.00 C ATOM 0 H ALA A 59 -9.416 6.126 0.177 1.00 0.00 H new ATOM 0 HA ALA A 59 -8.982 3.726 1.726 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -7.324 2.739 0.218 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -8.947 2.728 -0.513 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -7.743 3.930 -1.037 1.00 0.00 H new ATOM 868 N SER A 60 -6.784 4.701 2.416 1.00 0.00 N ATOM 869 CA SER A 60 -5.690 5.440 3.022 1.00 0.00 C ATOM 870 C SER A 60 -4.366 4.713 2.773 1.00 0.00 C ATOM 871 O SER A 60 -4.174 3.591 3.239 1.00 0.00 O ATOM 872 CB SER A 60 -5.917 5.629 4.523 1.00 0.00 C ATOM 873 OG SER A 60 -7.060 4.914 4.984 1.00 0.00 O ATOM 0 H SER A 60 -6.943 3.774 2.812 1.00 0.00 H new ATOM 0 HA SER A 60 -5.648 6.427 2.561 1.00 0.00 H new ATOM 0 HB2 SER A 60 -5.035 5.293 5.068 1.00 0.00 H new ATOM 0 HB3 SER A 60 -6.041 6.690 4.740 1.00 0.00 H new ATOM 0 HG SER A 60 -7.170 5.059 5.947 1.00 0.00 H new ATOM 879 N PHE A 61 -3.489 5.382 2.040 1.00 0.00 N ATOM 880 CA PHE A 61 -2.190 4.814 1.724 1.00 0.00 C ATOM 881 C PHE A 61 -1.095 5.426 2.600 1.00 0.00 C ATOM 882 O PHE A 61 -0.940 6.641 2.697 1.00 0.00 O ATOM 883 CB PHE A 61 -1.900 5.147 0.259 1.00 0.00 C ATOM 884 CG PHE A 61 -3.046 4.805 -0.696 1.00 0.00 C ATOM 885 CD1 PHE A 61 -3.178 3.538 -1.172 1.00 0.00 C ATOM 886 CD2 PHE A 61 -3.932 5.767 -1.068 1.00 0.00 C ATOM 887 CE1 PHE A 61 -4.242 3.220 -2.058 1.00 0.00 C ATOM 888 CE2 PHE A 61 -4.995 5.449 -1.954 1.00 0.00 C ATOM 889 CZ PHE A 61 -5.127 4.182 -2.430 1.00 0.00 C ATOM 0 H PHE A 61 -3.653 6.313 1.656 1.00 0.00 H new ATOM 0 HA PHE A 61 -2.202 3.739 1.902 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -1.677 6.211 0.176 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -1.006 4.608 -0.055 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -2.474 2.774 -0.877 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -3.827 6.773 -0.690 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -4.348 2.214 -2.436 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -5.699 6.213 -2.250 1.00 0.00 H new ATOM 0 HZ PHE A 61 -5.935 3.940 -3.104 1.00 0.00 H new ATOM 899 N TYR A 62 -0.330 4.543 3.245 1.00 0.00 N ATOM 900 CA TYR A 62 0.750 4.963 4.116 1.00 0.00 C ATOM 901 C TYR A 62 2.027 4.219 3.751 1.00 0.00 C ATOM 902 O TYR A 62 1.978 3.182 3.093 1.00 0.00 O ATOM 903 CB TYR A 62 0.364 4.694 5.568 1.00 0.00 C ATOM 904 CG TYR A 62 -0.995 5.237 5.941 1.00 0.00 C ATOM 905 CD1 TYR A 62 -1.271 6.601 5.785 1.00 0.00 C ATOM 906 CD2 TYR A 62 -1.980 4.376 6.441 1.00 0.00 C ATOM 907 CE1 TYR A 62 -2.531 7.104 6.131 1.00 0.00 C ATOM 908 CE2 TYR A 62 -3.239 4.879 6.787 1.00 0.00 C ATOM 909 CZ TYR A 62 -3.515 6.243 6.632 1.00 0.00 C ATOM 910 OH TYR A 62 -4.742 6.733 6.970 1.00 0.00 O ATOM 0 H TYR A 62 -0.445 3.532 3.175 1.00 0.00 H new ATOM 0 HA TYR A 62 0.928 6.031 3.992 1.00 0.00 H new ATOM 0 HB2 TYR A 62 0.378 3.619 5.746 1.00 0.00 H new ATOM 0 HB3 TYR A 62 1.115 5.135 6.223 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -0.512 7.265 5.398 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -1.768 3.324 6.560 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -2.744 8.156 6.011 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -3.998 4.215 7.174 1.00 0.00 H new ATOM 0 HH TYR A 62 -5.306 6.003 7.300 1.00 0.00 H new ATOM 920 N TYR A 63 3.172 4.752 4.181 1.00 0.00 N ATOM 921 CA TYR A 63 4.454 4.138 3.896 1.00 0.00 C ATOM 922 C TYR A 63 5.502 4.653 4.873 1.00 0.00 C ATOM 923 O TYR A 63 5.203 5.570 5.636 1.00 0.00 O ATOM 924 CB TYR A 63 4.856 4.448 2.458 1.00 0.00 C ATOM 925 CG TYR A 63 4.435 5.823 1.997 1.00 0.00 C ATOM 926 CD1 TYR A 63 4.320 6.867 2.923 1.00 0.00 C ATOM 927 CD2 TYR A 63 4.160 6.054 0.644 1.00 0.00 C ATOM 928 CE1 TYR A 63 3.929 8.141 2.496 1.00 0.00 C ATOM 929 CE2 TYR A 63 3.769 7.329 0.217 1.00 0.00 C ATOM 930 CZ TYR A 63 3.654 8.372 1.143 1.00 0.00 C ATOM 931 OH TYR A 63 3.273 9.614 0.727 1.00 0.00 O ATOM 0 H TYR A 63 3.229 5.610 4.729 1.00 0.00 H new ATOM 0 HA TYR A 63 4.378 3.057 4.013 1.00 0.00 H new ATOM 0 HB2 TYR A 63 5.938 4.358 2.364 1.00 0.00 H new ATOM 0 HB3 TYR A 63 4.416 3.701 1.797 1.00 0.00 H new ATOM 0 HD1 TYR A 63 4.533 6.689 3.967 1.00 0.00 H new ATOM 0 HD2 TYR A 63 4.249 5.249 -0.070 1.00 0.00 H new ATOM 0 HE1 TYR A 63 3.839 8.946 3.210 1.00 0.00 H new ATOM 0 HE2 TYR A 63 3.556 7.507 -0.827 1.00 0.00 H new ATOM 0 HH TYR A 63 3.122 9.603 -0.241 1.00 0.00 H new ATOM 941 N ASN A 64 6.689 4.066 4.833 1.00 0.00 N ATOM 942 CA ASN A 64 7.760 4.483 5.722 1.00 0.00 C ATOM 943 C ASN A 64 9.016 3.664 5.419 1.00 0.00 C ATOM 944 O ASN A 64 9.010 2.818 4.526 1.00 0.00 O ATOM 945 CB ASN A 64 7.383 4.246 7.186 1.00 0.00 C ATOM 946 CG ASN A 64 6.742 5.494 7.796 1.00 0.00 C ATOM 947 OD1 ASN A 64 5.660 5.457 8.358 1.00 0.00 O ATOM 948 ND2 ASN A 64 7.468 6.599 7.654 1.00 0.00 N ATOM 0 H ASN A 64 6.933 3.305 4.199 1.00 0.00 H new ATOM 0 HA ASN A 64 7.937 5.547 5.562 1.00 0.00 H new ATOM 0 HB2 ASN A 64 6.691 3.406 7.256 1.00 0.00 H new ATOM 0 HB3 ASN A 64 8.272 3.975 7.755 1.00 0.00 H new ATOM 0 HD21 ASN A 64 7.127 7.485 8.027 1.00 0.00 H new ATOM 0 HD22 ASN A 64 8.366 6.561 7.172 1.00 0.00 H new ATOM 955 N PHE A 65 10.064 3.943 6.181 1.00 0.00 N ATOM 956 CA PHE A 65 11.325 3.243 6.005 1.00 0.00 C ATOM 957 C PHE A 65 12.185 3.337 7.267 1.00 0.00 C ATOM 958 O PHE A 65 12.098 4.313 8.010 1.00 0.00 O ATOM 959 CB PHE A 65 12.059 3.928 4.850 1.00 0.00 C ATOM 960 CG PHE A 65 11.153 4.768 3.948 1.00 0.00 C ATOM 961 CD1 PHE A 65 10.508 4.187 2.901 1.00 0.00 C ATOM 962 CD2 PHE A 65 10.993 6.097 4.192 1.00 0.00 C ATOM 963 CE1 PHE A 65 9.667 4.967 2.064 1.00 0.00 C ATOM 964 CE2 PHE A 65 10.153 6.877 3.355 1.00 0.00 C ATOM 965 CZ PHE A 65 9.507 6.295 2.308 1.00 0.00 C ATOM 0 H PHE A 65 10.065 4.644 6.922 1.00 0.00 H new ATOM 0 HA PHE A 65 11.140 2.188 5.801 1.00 0.00 H new ATOM 0 HB2 PHE A 65 12.841 4.568 5.259 1.00 0.00 H new ATOM 0 HB3 PHE A 65 12.553 3.168 4.245 1.00 0.00 H new ATOM 0 HD1 PHE A 65 10.635 3.132 2.706 1.00 0.00 H new ATOM 0 HD2 PHE A 65 11.505 6.559 5.023 1.00 0.00 H new ATOM 0 HE1 PHE A 65 9.154 4.505 1.233 1.00 0.00 H new ATOM 0 HE2 PHE A 65 10.027 7.932 3.549 1.00 0.00 H new ATOM 0 HZ PHE A 65 8.867 6.888 1.671 1.00 0.00 H new ATOM 975 N TRP A 66 12.995 2.308 7.470 1.00 0.00 N ATOM 976 CA TRP A 66 13.869 2.262 8.629 1.00 0.00 C ATOM 977 C TRP A 66 14.874 1.128 8.418 1.00 0.00 C ATOM 978 O TRP A 66 15.718 0.873 9.277 1.00 0.00 O ATOM 979 CB TRP A 66 13.061 2.111 9.920 1.00 0.00 C ATOM 980 CG TRP A 66 12.396 0.743 10.082 1.00 0.00 C ATOM 981 CD1 TRP A 66 12.938 -0.386 10.559 1.00 0.00 C ATOM 982 CD2 TRP A 66 11.034 0.403 9.747 1.00 0.00 C ATOM 983 NE1 TRP A 66 12.029 -1.424 10.555 1.00 0.00 N ATOM 984 CE2 TRP A 66 10.835 -0.929 10.045 1.00 0.00 C ATOM 985 CE3 TRP A 66 10.005 1.195 9.208 1.00 0.00 C ATOM 986 CZ2 TRP A 66 9.616 -1.586 9.841 1.00 0.00 C ATOM 987 CZ3 TRP A 66 8.793 0.524 9.010 1.00 0.00 C ATOM 988 CH2 TRP A 66 8.576 -0.817 9.305 1.00 0.00 C ATOM 0 H TRP A 66 13.064 1.500 6.851 1.00 0.00 H new ATOM 0 HA TRP A 66 14.417 3.198 8.736 1.00 0.00 H new ATOM 0 HB2 TRP A 66 13.719 2.287 10.771 1.00 0.00 H new ATOM 0 HB3 TRP A 66 12.292 2.883 9.947 1.00 0.00 H new ATOM 0 HD1 TRP A 66 13.958 -0.472 10.903 1.00 0.00 H new ATOM 0 HE1 TRP A 66 12.202 -2.379 10.869 1.00 0.00 H new ATOM 0 HE3 TRP A 66 10.139 2.239 8.966 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 9.485 -2.630 10.084 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 7.968 1.088 8.599 1.00 0.00 H new ATOM 0 HH2 TRP A 66 7.610 -1.263 9.122 1.00 0.00 H new TER 999 TRP A 66