USER MOD reduce.3.24.130724 H: found=0, std=0, add=483, rem=0, adj=23 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 38 LYS NZ :NH3+ -169:sc= 0.131 (180deg=0) USER MOD Set 1.2: A 40 THR OG1 : rot -140:sc= -1.59 USER MOD Set 2.1: A 19 HIS : no HD1:sc= -2.95! C(o=-3.9!,f=-9.3!) USER MOD Set 2.2: A 21 SER OG : rot 28:sc= -0.945 USER MOD Single : A 1 GLU N :NH3+ 143:sc= 0.051 (180deg=-0.0818) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 GLN : amide:sc= -0.855! X(o=-0.86!,f=-0.81) USER MOD Single : A 6 HIS : no HE2:sc= -0.132 K(o=-0.13,f=-0.69) USER MOD Single : A 8 TYR OH : rot -61:sc= -4.33! USER MOD Single : A 11 SER OG : rot 121:sc= -4.48! USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= -0.155 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -2.53! C(o=-2.5!,f=-5.4!) USER MOD Single : A 17 TYR OH : rot 34:sc= 1.23 USER MOD Single : A 18 HIS :FLIP no HE2:sc= 0.101 F(o=-1.1,f=0.1) USER MOD Single : A 22 LYS NZ :NH3+ -172:sc= -1.96! (180deg=-2.3!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HD1:sc= -3.41! X(o=-3.4!,f=-3.8) 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 : amide:sc= -3.09! C(o=-3.1!,f=-3.8!) USER MOD Single : A 31 ASN : amide:sc= -3.44 K(o=-3.4,f=-15!) USER MOD Single : A 32 ASN : amide:sc= -6.9! C(o=-6.9!,f=-8.9!) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -4.02! C(o=-4!,f=-7.2!) USER MOD Single : A 41 GLN : amide:sc= -4.02! C(o=-4!,f=-7.9!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 49:sc= 0.0329 USER MOD Single : A 54 ASN : amide:sc= -0.775 X(o=-0.77,f=-0.3) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 180:sc= -0.481 USER MOD Single : A 62 TYR OH : rot 180:sc= -0.326 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -2.42! C(o=-2.4!,f=-2.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 11.862 8.983 -2.722 1.00 0.00 N ATOM 2 CA GLU A 1 12.863 7.938 -2.852 1.00 0.00 C ATOM 3 C GLU A 1 12.207 6.624 -3.282 1.00 0.00 C ATOM 4 O GLU A 1 10.984 6.543 -3.390 1.00 0.00 O ATOM 5 CB GLU A 1 13.643 7.760 -1.548 1.00 0.00 C ATOM 6 CG GLU A 1 12.699 7.469 -0.380 1.00 0.00 C ATOM 7 CD GLU A 1 13.477 6.993 0.849 1.00 0.00 C ATOM 8 OE1 GLU A 1 14.670 7.302 0.985 1.00 0.00 O ATOM 9 OE2 GLU A 1 12.799 6.278 1.680 1.00 0.00 O ATOM 0 H1 GLU A 1 12.102 9.595 -1.916 1.00 0.00 H new ATOM 0 H2 GLU A 1 11.838 9.551 -3.593 1.00 0.00 H new ATOM 0 H3 GLU A 1 10.929 8.552 -2.564 1.00 0.00 H new ATOM 0 HA GLU A 1 13.573 8.237 -3.624 1.00 0.00 H new ATOM 0 HB2 GLU A 1 14.357 6.943 -1.656 1.00 0.00 H new ATOM 0 HB3 GLU A 1 14.219 8.661 -1.339 1.00 0.00 H new ATOM 0 HG2 GLU A 1 12.134 8.368 -0.132 1.00 0.00 H new ATOM 0 HG3 GLU A 1 11.975 6.709 -0.674 1.00 0.00 H new ATOM 17 N GLY A 2 13.048 5.628 -3.517 1.00 0.00 N ATOM 18 CA GLY A 2 12.565 4.322 -3.933 1.00 0.00 C ATOM 19 C GLY A 2 11.553 4.450 -5.074 1.00 0.00 C ATOM 20 O GLY A 2 11.530 5.459 -5.777 1.00 0.00 O ATOM 0 H GLY A 2 14.062 5.699 -3.427 1.00 0.00 H new ATOM 0 HA2 GLY A 2 13.404 3.705 -4.254 1.00 0.00 H new ATOM 0 HA3 GLY A 2 12.102 3.815 -3.087 1.00 0.00 H new ATOM 24 N THR A 3 10.742 3.413 -5.222 1.00 0.00 N ATOM 25 CA THR A 3 9.732 3.396 -6.266 1.00 0.00 C ATOM 26 C THR A 3 8.341 3.205 -5.658 1.00 0.00 C ATOM 27 O THR A 3 8.035 2.142 -5.121 1.00 0.00 O ATOM 28 CB THR A 3 10.110 2.308 -7.272 1.00 0.00 C ATOM 29 OG1 THR A 3 11.463 2.602 -7.610 1.00 0.00 O ATOM 30 CG2 THR A 3 9.356 2.448 -8.597 1.00 0.00 C ATOM 0 H THR A 3 10.764 2.578 -4.636 1.00 0.00 H new ATOM 0 HA THR A 3 9.694 4.348 -6.795 1.00 0.00 H new ATOM 0 HB THR A 3 9.906 1.328 -6.840 1.00 0.00 H new ATOM 0 HG1 THR A 3 11.789 1.943 -8.258 1.00 0.00 H new ATOM 0 HG21 THR A 3 9.661 1.651 -9.275 1.00 0.00 H new ATOM 0 HG22 THR A 3 8.284 2.378 -8.415 1.00 0.00 H new ATOM 0 HG23 THR A 3 9.586 3.414 -9.046 1.00 0.00 H new ATOM 38 N TRP A 4 7.535 4.252 -5.763 1.00 0.00 N ATOM 39 CA TRP A 4 6.184 4.213 -5.230 1.00 0.00 C ATOM 40 C TRP A 4 5.215 4.078 -6.407 1.00 0.00 C ATOM 41 O TRP A 4 5.397 4.719 -7.441 1.00 0.00 O ATOM 42 CB TRP A 4 5.902 5.439 -4.360 1.00 0.00 C ATOM 43 CG TRP A 4 4.650 5.311 -3.491 1.00 0.00 C ATOM 44 CD1 TRP A 4 4.242 4.248 -2.784 1.00 0.00 C ATOM 45 CD2 TRP A 4 3.653 6.329 -3.263 1.00 0.00 C ATOM 46 NE1 TRP A 4 3.060 4.506 -2.120 1.00 0.00 N ATOM 47 CE2 TRP A 4 2.690 5.811 -2.420 1.00 0.00 C ATOM 48 CE3 TRP A 4 3.567 7.644 -3.753 1.00 0.00 C ATOM 49 CZ2 TRP A 4 1.573 6.539 -1.994 1.00 0.00 C ATOM 50 CZ3 TRP A 4 2.445 8.359 -3.317 1.00 0.00 C ATOM 51 CH2 TRP A 4 1.467 7.852 -2.469 1.00 0.00 C ATOM 0 H TRP A 4 7.792 5.132 -6.209 1.00 0.00 H new ATOM 0 HA TRP A 4 6.054 3.354 -4.572 1.00 0.00 H new ATOM 0 HB2 TRP A 4 6.762 5.620 -3.715 1.00 0.00 H new ATOM 0 HB3 TRP A 4 5.797 6.312 -5.004 1.00 0.00 H new ATOM 0 HD1 TRP A 4 4.772 3.308 -2.740 1.00 0.00 H new ATOM 0 HE1 TRP A 4 2.551 3.857 -1.519 1.00 0.00 H new ATOM 0 HE3 TRP A 4 4.308 8.069 -4.414 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 0.833 6.111 -1.334 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 2.331 9.376 -3.664 1.00 0.00 H new ATOM 0 HH2 TRP A 4 0.629 8.468 -2.178 1.00 0.00 H new ATOM 62 N GLN A 5 4.208 3.241 -6.210 1.00 0.00 N ATOM 63 CA GLN A 5 3.210 3.015 -7.242 1.00 0.00 C ATOM 64 C GLN A 5 1.835 2.786 -6.611 1.00 0.00 C ATOM 65 O GLN A 5 1.436 1.646 -6.382 1.00 0.00 O ATOM 66 CB GLN A 5 3.605 1.838 -8.137 1.00 0.00 C ATOM 67 CG GLN A 5 4.082 2.327 -9.506 1.00 0.00 C ATOM 68 CD GLN A 5 3.216 3.484 -10.008 1.00 0.00 C ATOM 69 OE1 GLN A 5 2.094 3.306 -10.453 1.00 0.00 O ATOM 70 NE2 GLN A 5 3.798 4.677 -9.912 1.00 0.00 N ATOM 0 H GLN A 5 4.061 2.711 -5.351 1.00 0.00 H new ATOM 0 HA GLN A 5 3.156 3.905 -7.869 1.00 0.00 H new ATOM 0 HB2 GLN A 5 4.395 1.261 -7.657 1.00 0.00 H new ATOM 0 HB3 GLN A 5 2.753 1.170 -8.262 1.00 0.00 H new ATOM 0 HG2 GLN A 5 5.121 2.649 -9.439 1.00 0.00 H new ATOM 0 HG3 GLN A 5 4.048 1.506 -10.222 1.00 0.00 H new ATOM 0 HE21 GLN A 5 4.740 4.755 -9.530 1.00 0.00 H new ATOM 0 HE22 GLN A 5 3.302 5.513 -10.221 1.00 0.00 H new ATOM 79 N HIS A 6 1.149 3.889 -6.348 1.00 0.00 N ATOM 80 CA HIS A 6 -0.172 3.823 -5.748 1.00 0.00 C ATOM 81 C HIS A 6 -1.238 3.938 -6.839 1.00 0.00 C ATOM 82 O HIS A 6 -1.132 4.781 -7.729 1.00 0.00 O ATOM 83 CB HIS A 6 -0.326 4.882 -4.655 1.00 0.00 C ATOM 84 CG HIS A 6 -1.351 5.945 -4.969 1.00 0.00 C ATOM 85 ND1 HIS A 6 -2.602 5.978 -4.380 1.00 0.00 N ATOM 86 CD2 HIS A 6 -1.296 7.013 -5.817 1.00 0.00 C ATOM 87 CE1 HIS A 6 -3.263 7.022 -4.858 1.00 0.00 C ATOM 88 NE2 HIS A 6 -2.452 7.661 -5.749 1.00 0.00 N ATOM 0 H HIS A 6 1.484 4.833 -6.540 1.00 0.00 H new ATOM 0 HA HIS A 6 -0.305 2.858 -5.259 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -0.603 4.389 -3.723 1.00 0.00 H new ATOM 0 HB3 HIS A 6 0.639 5.360 -4.489 1.00 0.00 H new ATOM 0 HD1 HIS A 6 -2.956 5.311 -3.694 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -0.455 7.284 -6.438 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -4.267 7.315 -4.589 1.00 0.00 H new ATOM 96 N GLY A 7 -2.241 3.078 -6.735 1.00 0.00 N ATOM 97 CA GLY A 7 -3.325 3.073 -7.703 1.00 0.00 C ATOM 98 C GLY A 7 -4.658 2.736 -7.031 1.00 0.00 C ATOM 99 O GLY A 7 -4.777 2.678 -5.809 1.00 0.00 O ATOM 0 H GLY A 7 -2.326 2.380 -5.996 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.392 4.049 -8.184 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.114 2.345 -8.487 1.00 0.00 H new ATOM 103 N TYR A 8 -5.671 2.510 -7.870 1.00 0.00 N ATOM 104 CA TYR A 8 -6.999 2.181 -7.391 1.00 0.00 C ATOM 105 C TYR A 8 -7.754 1.402 -8.459 1.00 0.00 C ATOM 106 O TYR A 8 -8.178 2.003 -9.445 1.00 0.00 O ATOM 107 CB TYR A 8 -7.741 3.464 -7.031 1.00 0.00 C ATOM 108 CG TYR A 8 -8.514 3.370 -5.737 1.00 0.00 C ATOM 109 CD1 TYR A 8 -9.338 2.265 -5.493 1.00 0.00 C ATOM 110 CD2 TYR A 8 -8.408 4.389 -4.783 1.00 0.00 C ATOM 111 CE1 TYR A 8 -10.055 2.178 -4.293 1.00 0.00 C ATOM 112 CE2 TYR A 8 -9.125 4.302 -3.584 1.00 0.00 C ATOM 113 CZ TYR A 8 -9.949 3.197 -3.339 1.00 0.00 C ATOM 114 OH TYR A 8 -10.648 3.113 -2.171 1.00 0.00 O ATOM 0 H TYR A 8 -5.588 2.551 -8.886 1.00 0.00 H new ATOM 0 HA TYR A 8 -6.925 1.558 -6.500 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -7.023 4.281 -6.958 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -8.429 3.715 -7.838 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -9.421 1.480 -6.230 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -7.773 5.242 -4.972 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -10.690 1.325 -4.104 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -9.043 5.088 -2.848 1.00 0.00 H new ATOM 0 HH TYR A 8 -11.608 3.084 -2.366 1.00 0.00 H new ATOM 124 N GLY A 9 -7.905 0.102 -8.250 1.00 0.00 N ATOM 125 CA GLY A 9 -8.610 -0.732 -9.208 1.00 0.00 C ATOM 126 C GLY A 9 -10.124 -0.549 -9.085 1.00 0.00 C ATOM 127 O GLY A 9 -10.864 -1.524 -8.965 1.00 0.00 O ATOM 0 H GLY A 9 -7.551 -0.394 -7.432 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -8.291 -0.480 -10.219 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -8.352 -1.778 -9.044 1.00 0.00 H new ATOM 131 N VAL A 10 -10.540 0.709 -9.120 1.00 0.00 N ATOM 132 CA VAL A 10 -11.953 1.033 -9.014 1.00 0.00 C ATOM 133 C VAL A 10 -12.690 -0.131 -8.347 1.00 0.00 C ATOM 134 O VAL A 10 -13.487 -0.814 -8.988 1.00 0.00 O ATOM 135 CB VAL A 10 -12.514 1.384 -10.393 1.00 0.00 C ATOM 136 CG1 VAL A 10 -11.897 0.499 -11.478 1.00 0.00 C ATOM 137 CG2 VAL A 10 -14.041 1.284 -10.406 1.00 0.00 C ATOM 0 H VAL A 10 -9.924 1.516 -9.220 1.00 0.00 H new ATOM 0 HA VAL A 10 -12.097 1.912 -8.386 1.00 0.00 H new ATOM 0 HB VAL A 10 -12.244 2.417 -10.611 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -12.313 0.769 -12.448 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -10.817 0.643 -11.494 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -12.121 -0.546 -11.266 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -14.414 1.539 -11.398 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -14.341 0.266 -10.156 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -14.457 1.976 -9.673 1.00 0.00 H new ATOM 147 N SER A 11 -12.397 -0.320 -7.069 1.00 0.00 N ATOM 148 CA SER A 11 -13.022 -1.389 -6.309 1.00 0.00 C ATOM 149 C SER A 11 -12.166 -1.733 -5.089 1.00 0.00 C ATOM 150 O SER A 11 -12.694 -1.988 -4.007 1.00 0.00 O ATOM 151 CB SER A 11 -13.233 -2.631 -7.176 1.00 0.00 C ATOM 152 OG SER A 11 -14.601 -2.804 -7.538 1.00 0.00 O ATOM 0 H SER A 11 -11.735 0.249 -6.541 1.00 0.00 H new ATOM 0 HA SER A 11 -14.000 -1.043 -5.973 1.00 0.00 H new ATOM 0 HB2 SER A 11 -12.627 -2.550 -8.078 1.00 0.00 H new ATOM 0 HB3 SER A 11 -12.886 -3.513 -6.637 1.00 0.00 H new ATOM 0 HG SER A 11 -14.684 -2.801 -8.514 1.00 0.00 H new ATOM 158 N SER A 12 -10.858 -1.728 -5.303 1.00 0.00 N ATOM 159 CA SER A 12 -9.924 -2.037 -4.234 1.00 0.00 C ATOM 160 C SER A 12 -8.759 -1.045 -4.254 1.00 0.00 C ATOM 161 O SER A 12 -8.623 -0.261 -5.192 1.00 0.00 O ATOM 162 CB SER A 12 -9.402 -3.470 -4.355 1.00 0.00 C ATOM 163 OG SER A 12 -9.662 -4.026 -5.642 1.00 0.00 O ATOM 0 H SER A 12 -10.423 -1.515 -6.201 1.00 0.00 H new ATOM 0 HA SER A 12 -10.451 -1.950 -3.284 1.00 0.00 H new ATOM 0 HB2 SER A 12 -8.329 -3.482 -4.165 1.00 0.00 H new ATOM 0 HB3 SER A 12 -9.868 -4.092 -3.591 1.00 0.00 H new ATOM 0 HG SER A 12 -9.312 -4.941 -5.680 1.00 0.00 H new ATOM 169 N ALA A 13 -7.949 -1.111 -3.208 1.00 0.00 N ATOM 170 CA ALA A 13 -6.801 -0.227 -3.093 1.00 0.00 C ATOM 171 C ALA A 13 -5.529 -1.066 -2.956 1.00 0.00 C ATOM 172 O ALA A 13 -5.443 -1.996 -2.158 1.00 0.00 O ATOM 173 CB ALA A 13 -7.003 0.722 -1.910 1.00 0.00 C ATOM 0 H ALA A 13 -8.065 -1.763 -2.432 1.00 0.00 H new ATOM 0 HA ALA A 13 -6.698 0.386 -3.988 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -6.142 1.385 -1.824 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -7.903 1.316 -2.069 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -7.108 0.143 -0.993 1.00 0.00 H new ATOM 179 N TYR A 14 -4.530 -0.711 -3.767 1.00 0.00 N ATOM 180 CA TYR A 14 -3.259 -1.408 -3.761 1.00 0.00 C ATOM 181 C TYR A 14 -2.120 -0.402 -3.673 1.00 0.00 C ATOM 182 O TYR A 14 -2.255 0.697 -4.207 1.00 0.00 O ATOM 183 CB TYR A 14 -3.138 -2.253 -5.026 1.00 0.00 C ATOM 184 CG TYR A 14 -2.764 -1.454 -6.251 1.00 0.00 C ATOM 185 CD1 TYR A 14 -1.481 -0.904 -6.364 1.00 0.00 C ATOM 186 CD2 TYR A 14 -3.699 -1.262 -7.275 1.00 0.00 C ATOM 187 CE1 TYR A 14 -1.134 -0.164 -7.500 1.00 0.00 C ATOM 188 CE2 TYR A 14 -3.352 -0.522 -8.411 1.00 0.00 C ATOM 189 CZ TYR A 14 -2.069 0.028 -8.524 1.00 0.00 C ATOM 190 OH TYR A 14 -1.730 0.749 -9.631 1.00 0.00 O ATOM 0 H TYR A 14 -4.585 0.058 -4.435 1.00 0.00 H new ATOM 0 HA TYR A 14 -3.204 -2.066 -2.894 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -2.389 -3.028 -4.865 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -4.086 -2.759 -5.208 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -0.759 -1.051 -5.574 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -4.689 -1.685 -7.188 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -0.144 0.259 -7.587 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -4.074 -0.375 -9.201 1.00 0.00 H new ATOM 0 HH TYR A 14 -2.494 0.785 -10.244 1.00 0.00 H new ATOM 200 N SER A 15 -1.037 -0.789 -3.014 1.00 0.00 N ATOM 201 CA SER A 15 0.107 0.095 -2.871 1.00 0.00 C ATOM 202 C SER A 15 1.402 -0.719 -2.885 1.00 0.00 C ATOM 203 O SER A 15 1.617 -1.565 -2.017 1.00 0.00 O ATOM 204 CB SER A 15 0.011 0.918 -1.584 1.00 0.00 C ATOM 205 OG SER A 15 0.363 2.282 -1.795 1.00 0.00 O ATOM 0 H SER A 15 -0.928 -1.703 -2.574 1.00 0.00 H new ATOM 0 HA SER A 15 0.111 0.787 -3.713 1.00 0.00 H new ATOM 0 HB2 SER A 15 -1.005 0.862 -1.193 1.00 0.00 H new ATOM 0 HB3 SER A 15 0.668 0.487 -0.828 1.00 0.00 H new ATOM 0 HG SER A 15 0.288 2.774 -0.951 1.00 0.00 H new ATOM 211 N ASN A 16 2.231 -0.436 -3.878 1.00 0.00 N ATOM 212 CA ASN A 16 3.499 -1.132 -4.017 1.00 0.00 C ATOM 213 C ASN A 16 4.644 -0.122 -3.917 1.00 0.00 C ATOM 214 O ASN A 16 4.705 0.869 -4.640 1.00 0.00 O ATOM 215 CB ASN A 16 3.600 -1.829 -5.375 1.00 0.00 C ATOM 216 CG ASN A 16 2.279 -2.506 -5.744 1.00 0.00 C ATOM 217 OD1 ASN A 16 1.492 -2.892 -4.895 1.00 0.00 O ATOM 218 ND2 ASN A 16 2.081 -2.629 -7.053 1.00 0.00 N ATOM 0 H ASN A 16 2.050 0.266 -4.595 1.00 0.00 H new ATOM 0 HA ASN A 16 3.563 -1.877 -3.224 1.00 0.00 H new ATOM 0 HB2 ASN A 16 3.867 -1.102 -6.142 1.00 0.00 H new ATOM 0 HB3 ASN A 16 4.398 -2.571 -5.348 1.00 0.00 H new ATOM 0 HD21 ASN A 16 1.229 -3.069 -7.401 1.00 0.00 H new ATOM 0 HD22 ASN A 16 2.781 -2.284 -7.709 1.00 0.00 H new ATOM 225 N TYR A 17 5.564 -0.401 -2.990 1.00 0.00 N ATOM 226 CA TYR A 17 6.709 0.457 -2.769 1.00 0.00 C ATOM 227 C TYR A 17 7.977 -0.382 -2.698 1.00 0.00 C ATOM 228 O TYR A 17 8.008 -1.349 -1.939 1.00 0.00 O ATOM 229 CB TYR A 17 6.510 1.247 -1.478 1.00 0.00 C ATOM 230 CG TYR A 17 7.154 2.612 -1.501 1.00 0.00 C ATOM 231 CD1 TYR A 17 8.491 2.749 -1.894 1.00 0.00 C ATOM 232 CD2 TYR A 17 6.414 3.741 -1.130 1.00 0.00 C ATOM 233 CE1 TYR A 17 9.088 4.016 -1.916 1.00 0.00 C ATOM 234 CE2 TYR A 17 7.011 5.008 -1.153 1.00 0.00 C ATOM 235 CZ TYR A 17 8.348 5.145 -1.545 1.00 0.00 C ATOM 236 OH TYR A 17 8.929 6.379 -1.567 1.00 0.00 O ATOM 0 H TYR A 17 5.529 -1.220 -2.383 1.00 0.00 H new ATOM 0 HA TYR A 17 6.808 1.158 -3.597 1.00 0.00 H new ATOM 0 HB2 TYR A 17 5.442 1.361 -1.292 1.00 0.00 H new ATOM 0 HB3 TYR A 17 6.919 0.675 -0.645 1.00 0.00 H new ATOM 0 HD1 TYR A 17 9.062 1.878 -2.180 1.00 0.00 H new ATOM 0 HD2 TYR A 17 5.383 3.635 -0.826 1.00 0.00 H new ATOM 0 HE1 TYR A 17 10.119 4.122 -2.219 1.00 0.00 H new ATOM 0 HE2 TYR A 17 6.440 5.879 -0.868 1.00 0.00 H new ATOM 0 HH TYR A 17 9.574 6.424 -2.303 1.00 0.00 H new ATOM 246 N HIS A 18 8.982 -0.005 -3.475 1.00 0.00 N ATOM 247 CA HIS A 18 10.237 -0.738 -3.483 1.00 0.00 C ATOM 248 C HIS A 18 11.294 0.046 -2.703 1.00 0.00 C ATOM 249 O HIS A 18 11.224 1.271 -2.615 1.00 0.00 O ATOM 250 CB HIS A 18 10.672 -1.055 -4.916 1.00 0.00 C ATOM 251 CG HIS A 18 11.934 -1.878 -5.006 1.00 0.00 C ATOM 252 ND1 HIS A 18 12.127 -3.226 -4.922 1.00 0.00 N flip ATOM 253 CD2 HIS A 18 13.183 -1.316 -5.206 1.00 0.00 C flip ATOM 254 CE1 HIS A 18 13.424 -3.473 -5.064 1.00 0.00 C flip ATOM 255 NE2 HIS A 18 14.080 -2.291 -5.240 1.00 0.00 N flip ATOM 0 H HIS A 18 8.953 0.798 -4.103 1.00 0.00 H new ATOM 0 HA HIS A 18 10.105 -1.698 -2.984 1.00 0.00 H new ATOM 0 HB2 HIS A 18 9.866 -1.588 -5.420 1.00 0.00 H new ATOM 0 HB3 HIS A 18 10.821 -0.119 -5.455 1.00 0.00 H new ATOM 0 HD1 HIS A 18 11.399 -3.925 -4.775 1.00 0.00 H new ATOM 0 HD2 HIS A 18 13.391 -0.262 -5.316 1.00 0.00 H new ATOM 0 HE1 HIS A 18 13.884 -4.450 -5.043 1.00 0.00 H new ATOM 263 N HIS A 19 12.249 -0.692 -2.156 1.00 0.00 N ATOM 264 CA HIS A 19 13.319 -0.082 -1.386 1.00 0.00 C ATOM 265 C HIS A 19 14.467 -1.080 -1.222 1.00 0.00 C ATOM 266 O HIS A 19 14.246 -2.227 -0.836 1.00 0.00 O ATOM 267 CB HIS A 19 12.794 0.444 -0.049 1.00 0.00 C ATOM 268 CG HIS A 19 13.291 1.825 0.306 1.00 0.00 C ATOM 269 ND1 HIS A 19 14.569 2.062 0.782 1.00 0.00 N ATOM 270 CD2 HIS A 19 12.669 3.038 0.249 1.00 0.00 C ATOM 271 CE1 HIS A 19 14.699 3.363 0.999 1.00 0.00 C ATOM 272 NE2 HIS A 19 13.521 3.966 0.669 1.00 0.00 N ATOM 0 H HIS A 19 12.304 -1.708 -2.231 1.00 0.00 H new ATOM 0 HA HIS A 19 13.710 0.783 -1.922 1.00 0.00 H new ATOM 0 HB2 HIS A 19 11.704 0.458 -0.078 1.00 0.00 H new ATOM 0 HB3 HIS A 19 13.083 -0.249 0.741 1.00 0.00 H new ATOM 0 HD2 HIS A 19 11.656 3.214 -0.082 1.00 0.00 H new ATOM 0 HE1 HIS A 19 15.583 3.859 1.372 1.00 0.00 H new ATOM 0 HE2 HIS A 19 13.326 4.965 0.734 1.00 0.00 H new ATOM 280 N GLY A 20 15.667 -0.607 -1.522 1.00 0.00 N ATOM 281 CA GLY A 20 16.850 -1.443 -1.413 1.00 0.00 C ATOM 282 C GLY A 20 17.953 -0.733 -0.626 1.00 0.00 C ATOM 283 O GLY A 20 19.130 -0.837 -0.968 1.00 0.00 O ATOM 0 H GLY A 20 15.846 0.345 -1.841 1.00 0.00 H new ATOM 0 HA2 GLY A 20 16.593 -2.381 -0.920 1.00 0.00 H new ATOM 0 HA3 GLY A 20 17.214 -1.696 -2.409 1.00 0.00 H new ATOM 287 N SER A 21 17.534 -0.026 0.413 1.00 0.00 N ATOM 288 CA SER A 21 18.471 0.701 1.251 1.00 0.00 C ATOM 289 C SER A 21 18.182 0.419 2.727 1.00 0.00 C ATOM 290 O SER A 21 19.094 0.115 3.495 1.00 0.00 O ATOM 291 CB SER A 21 18.404 2.205 0.976 1.00 0.00 C ATOM 292 OG SER A 21 17.197 2.573 0.313 1.00 0.00 O ATOM 0 H SER A 21 16.557 0.059 0.694 1.00 0.00 H new ATOM 0 HA SER A 21 19.478 0.359 1.013 1.00 0.00 H new ATOM 0 HB2 SER A 21 18.481 2.749 1.917 1.00 0.00 H new ATOM 0 HB3 SER A 21 19.258 2.500 0.366 1.00 0.00 H new ATOM 0 HG SER A 21 16.488 1.938 0.548 1.00 0.00 H new ATOM 298 N LYS A 22 16.910 0.529 3.080 1.00 0.00 N ATOM 299 CA LYS A 22 16.490 0.290 4.450 1.00 0.00 C ATOM 300 C LYS A 22 15.093 -0.334 4.449 1.00 0.00 C ATOM 301 O LYS A 22 14.393 -0.295 3.438 1.00 0.00 O ATOM 302 CB LYS A 22 16.589 1.575 5.273 1.00 0.00 C ATOM 303 CG LYS A 22 15.325 2.424 5.118 1.00 0.00 C ATOM 304 CD LYS A 22 15.349 3.623 6.069 1.00 0.00 C ATOM 305 CE LYS A 22 16.018 4.831 5.411 1.00 0.00 C ATOM 306 NZ LYS A 22 17.258 4.421 4.714 1.00 0.00 N ATOM 0 H LYS A 22 16.156 0.781 2.441 1.00 0.00 H new ATOM 0 HA LYS A 22 17.158 -0.423 4.934 1.00 0.00 H new ATOM 0 HB2 LYS A 22 16.739 1.327 6.324 1.00 0.00 H new ATOM 0 HB3 LYS A 22 17.459 2.149 4.954 1.00 0.00 H new ATOM 0 HG2 LYS A 22 15.241 2.773 4.089 1.00 0.00 H new ATOM 0 HG3 LYS A 22 14.445 1.813 5.320 1.00 0.00 H new ATOM 0 HD2 LYS A 22 14.331 3.881 6.361 1.00 0.00 H new ATOM 0 HD3 LYS A 22 15.884 3.358 6.981 1.00 0.00 H new ATOM 0 HE2 LYS A 22 15.331 5.293 4.702 1.00 0.00 H new ATOM 0 HE3 LYS A 22 16.250 5.582 6.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 17.770 5.266 4.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 17.861 3.881 5.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 17.016 3.827 3.895 1.00 0.00 H new ATOM 319 N THR A 23 14.728 -0.894 5.593 1.00 0.00 N ATOM 320 CA THR A 23 13.428 -1.525 5.736 1.00 0.00 C ATOM 321 C THR A 23 12.321 -0.582 5.260 1.00 0.00 C ATOM 322 O THR A 23 12.475 0.638 5.313 1.00 0.00 O ATOM 323 CB THR A 23 13.270 -1.958 7.195 1.00 0.00 C ATOM 324 OG1 THR A 23 14.309 -2.915 7.387 1.00 0.00 O ATOM 325 CG2 THR A 23 11.984 -2.751 7.436 1.00 0.00 C ATOM 0 H THR A 23 15.311 -0.924 6.430 1.00 0.00 H new ATOM 0 HA THR A 23 13.349 -2.412 5.108 1.00 0.00 H new ATOM 0 HB THR A 23 13.278 -1.077 7.837 1.00 0.00 H new ATOM 0 HG1 THR A 23 14.281 -3.247 8.308 1.00 0.00 H new ATOM 0 HG21 THR A 23 11.922 -3.033 8.487 1.00 0.00 H new ATOM 0 HG22 THR A 23 11.123 -2.136 7.174 1.00 0.00 H new ATOM 0 HG23 THR A 23 11.989 -3.649 6.819 1.00 0.00 H new ATOM 333 N HIS A 24 11.231 -1.181 4.806 1.00 0.00 N ATOM 334 CA HIS A 24 10.099 -0.410 4.320 1.00 0.00 C ATOM 335 C HIS A 24 8.810 -1.208 4.521 1.00 0.00 C ATOM 336 O HIS A 24 8.842 -2.434 4.614 1.00 0.00 O ATOM 337 CB HIS A 24 10.315 0.013 2.866 1.00 0.00 C ATOM 338 CG HIS A 24 10.521 -1.141 1.914 1.00 0.00 C ATOM 339 ND1 HIS A 24 11.615 -1.986 1.986 1.00 0.00 N ATOM 340 CD2 HIS A 24 9.761 -1.582 0.871 1.00 0.00 C ATOM 341 CE1 HIS A 24 11.509 -2.890 1.023 1.00 0.00 C ATOM 342 NE2 HIS A 24 10.360 -2.638 0.333 1.00 0.00 N ATOM 0 H HIS A 24 11.107 -2.193 4.764 1.00 0.00 H new ATOM 0 HA HIS A 24 10.007 0.511 4.896 1.00 0.00 H new ATOM 0 HB2 HIS A 24 9.454 0.594 2.536 1.00 0.00 H new ATOM 0 HB3 HIS A 24 11.182 0.672 2.815 1.00 0.00 H new ATOM 0 HD2 HIS A 24 8.830 -1.146 0.539 1.00 0.00 H new ATOM 0 HE1 HIS A 24 12.210 -3.687 0.820 1.00 0.00 H new ATOM 0 HE2 HIS A 24 10.017 -3.173 -0.465 1.00 0.00 H new ATOM 351 N SER A 25 7.705 -0.480 4.581 1.00 0.00 N ATOM 352 CA SER A 25 6.406 -1.105 4.770 1.00 0.00 C ATOM 353 C SER A 25 5.318 -0.261 4.103 1.00 0.00 C ATOM 354 O SER A 25 5.318 0.963 4.219 1.00 0.00 O ATOM 355 CB SER A 25 6.096 -1.293 6.256 1.00 0.00 C ATOM 356 OG SER A 25 5.679 -0.078 6.872 1.00 0.00 O ATOM 0 H SER A 25 7.682 0.537 4.502 1.00 0.00 H new ATOM 0 HA SER A 25 6.429 -2.090 4.305 1.00 0.00 H new ATOM 0 HB2 SER A 25 5.315 -2.045 6.371 1.00 0.00 H new ATOM 0 HB3 SER A 25 6.981 -1.673 6.766 1.00 0.00 H new ATOM 0 HG SER A 25 5.489 -0.240 7.820 1.00 0.00 H new ATOM 362 N ALA A 26 4.416 -0.950 3.419 1.00 0.00 N ATOM 363 CA ALA A 26 3.325 -0.279 2.733 1.00 0.00 C ATOM 364 C ALA A 26 2.002 -0.642 3.412 1.00 0.00 C ATOM 365 O ALA A 26 1.617 -1.809 3.447 1.00 0.00 O ATOM 366 CB ALA A 26 3.342 -0.659 1.251 1.00 0.00 C ATOM 0 H ALA A 26 4.419 -1.966 3.325 1.00 0.00 H new ATOM 0 HA ALA A 26 3.442 0.803 2.793 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.523 -0.155 0.737 1.00 0.00 H new ATOM 0 HB2 ALA A 26 4.290 -0.355 0.808 1.00 0.00 H new ATOM 0 HB3 ALA A 26 3.224 -1.738 1.151 1.00 0.00 H new ATOM 372 N THR A 27 1.343 0.382 3.935 1.00 0.00 N ATOM 373 CA THR A 27 0.072 0.185 4.612 1.00 0.00 C ATOM 374 C THR A 27 -1.057 0.864 3.833 1.00 0.00 C ATOM 375 O THR A 27 -0.915 2.003 3.393 1.00 0.00 O ATOM 376 CB THR A 27 0.215 0.700 6.045 1.00 0.00 C ATOM 377 OG1 THR A 27 1.490 0.219 6.461 1.00 0.00 O ATOM 378 CG2 THR A 27 -0.768 0.031 7.008 1.00 0.00 C ATOM 0 H THR A 27 1.665 1.349 3.904 1.00 0.00 H new ATOM 0 HA THR A 27 -0.194 -0.871 4.656 1.00 0.00 H new ATOM 0 HB THR A 27 0.061 1.779 6.060 1.00 0.00 H new ATOM 0 HG1 THR A 27 1.665 0.509 7.381 1.00 0.00 H new ATOM 0 HG21 THR A 27 -0.625 0.432 8.011 1.00 0.00 H new ATOM 0 HG22 THR A 27 -1.789 0.228 6.681 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.592 -1.045 7.019 1.00 0.00 H new ATOM 386 N VAL A 28 -2.153 0.134 3.686 1.00 0.00 N ATOM 387 CA VAL A 28 -3.305 0.650 2.967 1.00 0.00 C ATOM 388 C VAL A 28 -4.583 0.263 3.715 1.00 0.00 C ATOM 389 O VAL A 28 -4.822 -0.916 3.974 1.00 0.00 O ATOM 390 CB VAL A 28 -3.286 0.153 1.520 1.00 0.00 C ATOM 391 CG1 VAL A 28 -3.261 -1.376 1.466 1.00 0.00 C ATOM 392 CG2 VAL A 28 -4.473 0.711 0.733 1.00 0.00 C ATOM 0 H VAL A 28 -2.267 -0.811 4.053 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.270 1.739 2.923 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.372 0.519 1.052 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.248 -1.703 0.426 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.369 -1.743 1.973 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -4.148 -1.772 1.960 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.436 0.342 -0.292 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -5.403 0.389 1.201 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.427 1.800 0.729 1.00 0.00 H new ATOM 402 N VAL A 29 -5.371 1.277 4.040 1.00 0.00 N ATOM 403 CA VAL A 29 -6.618 1.058 4.753 1.00 0.00 C ATOM 404 C VAL A 29 -7.792 1.419 3.841 1.00 0.00 C ATOM 405 O VAL A 29 -7.750 2.429 3.140 1.00 0.00 O ATOM 406 CB VAL A 29 -6.615 1.845 6.065 1.00 0.00 C ATOM 407 CG1 VAL A 29 -7.914 1.618 6.842 1.00 0.00 C ATOM 408 CG2 VAL A 29 -5.396 1.486 6.917 1.00 0.00 C ATOM 0 H VAL A 29 -5.170 2.253 3.823 1.00 0.00 H new ATOM 0 HA VAL A 29 -6.726 0.007 5.020 1.00 0.00 H new ATOM 0 HB VAL A 29 -6.551 2.905 5.820 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -7.887 2.188 7.771 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -8.761 1.946 6.239 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -8.021 0.558 7.070 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -5.418 2.059 7.844 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -5.415 0.421 7.149 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -4.485 1.721 6.366 1.00 0.00 H new ATOM 418 N ASN A 30 -8.812 0.575 3.881 1.00 0.00 N ATOM 419 CA ASN A 30 -9.996 0.792 3.067 1.00 0.00 C ATOM 420 C ASN A 30 -11.108 1.380 3.938 1.00 0.00 C ATOM 421 O ASN A 30 -11.892 0.642 4.532 1.00 0.00 O ATOM 422 CB ASN A 30 -10.505 -0.522 2.473 1.00 0.00 C ATOM 423 CG ASN A 30 -11.302 -0.273 1.191 1.00 0.00 C ATOM 424 OD1 ASN A 30 -11.137 0.727 0.511 1.00 0.00 O ATOM 425 ND2 ASN A 30 -12.174 -1.235 0.900 1.00 0.00 N ATOM 0 H ASN A 30 -8.843 -0.261 4.465 1.00 0.00 H new ATOM 0 HA ASN A 30 -9.729 1.473 2.259 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -9.662 -1.179 2.259 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -11.133 -1.035 3.201 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -12.755 -1.161 0.065 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -12.262 -2.046 1.512 1.00 0.00 H new ATOM 432 N ASN A 31 -11.140 2.704 3.986 1.00 0.00 N ATOM 433 CA ASN A 31 -12.143 3.399 4.775 1.00 0.00 C ATOM 434 C ASN A 31 -13.469 3.411 4.011 1.00 0.00 C ATOM 435 O ASN A 31 -13.788 4.385 3.330 1.00 0.00 O ATOM 436 CB ASN A 31 -11.732 4.851 5.032 1.00 0.00 C ATOM 437 CG ASN A 31 -11.406 5.569 3.721 1.00 0.00 C ATOM 438 OD1 ASN A 31 -11.346 4.976 2.657 1.00 0.00 O ATOM 439 ND2 ASN A 31 -11.200 6.875 3.857 1.00 0.00 N ATOM 0 H ASN A 31 -10.488 3.313 3.492 1.00 0.00 H new ATOM 0 HA ASN A 31 -12.244 2.878 5.727 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -12.537 5.375 5.547 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -10.863 4.876 5.690 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -10.976 7.444 3.040 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -11.266 7.308 4.778 1.00 0.00 H new ATOM 446 N ASN A 32 -14.205 2.319 4.150 1.00 0.00 N ATOM 447 CA ASN A 32 -15.488 2.191 3.481 1.00 0.00 C ATOM 448 C ASN A 32 -16.256 1.011 4.080 1.00 0.00 C ATOM 449 O ASN A 32 -17.351 1.185 4.613 1.00 0.00 O ATOM 450 CB ASN A 32 -15.306 1.925 1.985 1.00 0.00 C ATOM 451 CG ASN A 32 -16.536 1.230 1.398 1.00 0.00 C ATOM 452 OD1 ASN A 32 -16.440 0.325 0.585 1.00 0.00 O ATOM 453 ND2 ASN A 32 -17.693 1.702 1.853 1.00 0.00 N ATOM 0 H ASN A 32 -13.937 1.514 4.716 1.00 0.00 H new ATOM 0 HA ASN A 32 -16.033 3.125 3.618 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -15.132 2.866 1.463 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -14.424 1.305 1.827 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -18.572 1.304 1.521 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -17.702 2.462 2.534 1.00 0.00 H new ATOM 460 N THR A 33 -15.651 -0.163 3.973 1.00 0.00 N ATOM 461 CA THR A 33 -16.264 -1.371 4.498 1.00 0.00 C ATOM 462 C THR A 33 -15.545 -1.825 5.769 1.00 0.00 C ATOM 463 O THR A 33 -16.056 -2.664 6.510 1.00 0.00 O ATOM 464 CB THR A 33 -16.260 -2.424 3.388 1.00 0.00 C ATOM 465 OG1 THR A 33 -14.889 -2.790 3.262 1.00 0.00 O ATOM 466 CG2 THR A 33 -16.616 -1.835 2.021 1.00 0.00 C ATOM 0 H THR A 33 -14.743 -0.303 3.530 1.00 0.00 H new ATOM 0 HA THR A 33 -17.298 -1.193 4.794 1.00 0.00 H new ATOM 0 HB THR A 33 -16.966 -3.216 3.637 1.00 0.00 H new ATOM 0 HG1 THR A 33 -14.795 -3.471 2.564 1.00 0.00 H new ATOM 0 HG21 THR A 33 -16.599 -2.624 1.269 1.00 0.00 H new ATOM 0 HG22 THR A 33 -17.612 -1.395 2.063 1.00 0.00 H new ATOM 0 HG23 THR A 33 -15.891 -1.066 1.756 1.00 0.00 H new ATOM 474 N GLY A 34 -14.370 -1.252 5.983 1.00 0.00 N ATOM 475 CA GLY A 34 -13.575 -1.588 7.152 1.00 0.00 C ATOM 476 C GLY A 34 -12.489 -2.607 6.802 1.00 0.00 C ATOM 477 O GLY A 34 -12.411 -3.672 7.413 1.00 0.00 O ATOM 0 H GLY A 34 -13.949 -0.557 5.366 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -13.116 -0.686 7.555 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -14.221 -1.993 7.931 1.00 0.00 H new ATOM 481 N ARG A 35 -11.677 -2.245 5.819 1.00 0.00 N ATOM 482 CA ARG A 35 -10.599 -3.115 5.380 1.00 0.00 C ATOM 483 C ARG A 35 -9.244 -2.462 5.656 1.00 0.00 C ATOM 484 O ARG A 35 -9.142 -1.238 5.717 1.00 0.00 O ATOM 485 CB ARG A 35 -10.714 -3.423 3.886 1.00 0.00 C ATOM 486 CG ARG A 35 -10.954 -4.916 3.650 1.00 0.00 C ATOM 487 CD ARG A 35 -9.648 -5.633 3.304 1.00 0.00 C ATOM 488 NE ARG A 35 -9.076 -6.257 4.518 1.00 0.00 N ATOM 489 CZ ARG A 35 -9.689 -7.224 5.234 1.00 0.00 C ATOM 490 NH1 ARG A 35 -10.901 -7.687 4.861 1.00 0.00 N ATOM 491 NH2 ARG A 35 -9.086 -7.709 6.302 1.00 0.00 N ATOM 0 H ARG A 35 -11.744 -1.361 5.314 1.00 0.00 H new ATOM 0 HA ARG A 35 -10.677 -4.048 5.939 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -11.532 -2.847 3.454 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -9.802 -3.113 3.376 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -11.393 -5.363 4.542 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -11.672 -5.049 2.840 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -9.831 -6.394 2.546 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -8.936 -4.925 2.879 1.00 0.00 H new ATOM 0 HE ARG A 35 -8.161 -5.936 4.834 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -11.360 -7.306 4.033 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -11.358 -8.418 5.407 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -8.170 -7.353 6.576 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -9.535 -8.440 6.854 1.00 0.00 H new ATOM 504 N GLN A 36 -8.237 -3.308 5.816 1.00 0.00 N ATOM 505 CA GLN A 36 -6.892 -2.828 6.085 1.00 0.00 C ATOM 506 C GLN A 36 -5.864 -3.910 5.747 1.00 0.00 C ATOM 507 O GLN A 36 -6.122 -5.097 5.939 1.00 0.00 O ATOM 508 CB GLN A 36 -6.752 -2.375 7.540 1.00 0.00 C ATOM 509 CG GLN A 36 -6.313 -3.535 8.436 1.00 0.00 C ATOM 510 CD GLN A 36 -4.797 -3.733 8.374 1.00 0.00 C ATOM 511 OE1 GLN A 36 -4.080 -3.021 7.690 1.00 0.00 O ATOM 512 NE2 GLN A 36 -4.351 -4.735 9.126 1.00 0.00 N ATOM 0 H GLN A 36 -8.325 -4.323 5.765 1.00 0.00 H new ATOM 0 HA GLN A 36 -6.703 -1.963 5.449 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -6.025 -1.566 7.604 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -7.703 -1.977 7.894 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -6.616 -3.339 9.465 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -6.816 -4.450 8.124 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -5.006 -5.292 9.675 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -3.354 -4.947 9.154 1.00 0.00 H new ATOM 521 N GLY A 37 -4.722 -3.461 5.248 1.00 0.00 N ATOM 522 CA GLY A 37 -3.655 -4.376 4.881 1.00 0.00 C ATOM 523 C GLY A 37 -2.283 -3.739 5.110 1.00 0.00 C ATOM 524 O GLY A 37 -2.192 -2.586 5.529 1.00 0.00 O ATOM 0 H GLY A 37 -4.512 -2.475 5.089 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -3.738 -5.291 5.468 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.758 -4.659 3.833 1.00 0.00 H new ATOM 528 N LYS A 38 -1.249 -4.517 4.824 1.00 0.00 N ATOM 529 CA LYS A 38 0.114 -4.043 4.993 1.00 0.00 C ATOM 530 C LYS A 38 1.087 -5.108 4.482 1.00 0.00 C ATOM 531 O LYS A 38 0.823 -6.303 4.601 1.00 0.00 O ATOM 532 CB LYS A 38 0.361 -3.631 6.445 1.00 0.00 C ATOM 533 CG LYS A 38 0.632 -4.854 7.324 1.00 0.00 C ATOM 534 CD LYS A 38 2.128 -5.174 7.372 1.00 0.00 C ATOM 535 CE LYS A 38 2.463 -6.049 8.581 1.00 0.00 C ATOM 536 NZ LYS A 38 3.050 -5.231 9.666 1.00 0.00 N ATOM 0 H LYS A 38 -1.328 -5.473 4.476 1.00 0.00 H new ATOM 0 HA LYS A 38 0.282 -3.145 4.398 1.00 0.00 H new ATOM 0 HB2 LYS A 38 1.210 -2.949 6.494 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -0.505 -3.090 6.826 1.00 0.00 H new ATOM 0 HG2 LYS A 38 0.263 -4.670 8.333 1.00 0.00 H new ATOM 0 HG3 LYS A 38 0.085 -5.713 6.936 1.00 0.00 H new ATOM 0 HD2 LYS A 38 2.424 -5.685 6.456 1.00 0.00 H new ATOM 0 HD3 LYS A 38 2.700 -4.248 7.419 1.00 0.00 H new ATOM 0 HE2 LYS A 38 1.561 -6.546 8.939 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.163 -6.832 8.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.441 -5.856 10.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.809 -4.634 9.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.313 -4.627 10.083 1.00 0.00 H new ATOM 549 N ASP A 39 2.191 -4.635 3.923 1.00 0.00 N ATOM 550 CA ASP A 39 3.204 -5.531 3.393 1.00 0.00 C ATOM 551 C ASP A 39 4.582 -5.085 3.887 1.00 0.00 C ATOM 552 O ASP A 39 5.349 -4.483 3.137 1.00 0.00 O ATOM 553 CB ASP A 39 3.218 -5.504 1.864 1.00 0.00 C ATOM 554 CG ASP A 39 4.298 -6.370 1.211 1.00 0.00 C ATOM 555 OD1 ASP A 39 5.447 -6.416 1.676 1.00 0.00 O ATOM 556 OD2 ASP A 39 3.914 -7.026 0.168 1.00 0.00 O ATOM 0 H ASP A 39 2.406 -3.643 3.826 1.00 0.00 H new ATOM 0 HA ASP A 39 2.973 -6.540 3.733 1.00 0.00 H new ATOM 0 HB2 ASP A 39 2.243 -5.830 1.501 1.00 0.00 H new ATOM 0 HB3 ASP A 39 3.352 -4.473 1.535 1.00 0.00 H new ATOM 562 N THR A 40 4.855 -5.398 5.145 1.00 0.00 N ATOM 563 CA THR A 40 6.127 -5.036 5.747 1.00 0.00 C ATOM 564 C THR A 40 7.225 -6.001 5.295 1.00 0.00 C ATOM 565 O THR A 40 7.034 -7.216 5.312 1.00 0.00 O ATOM 566 CB THR A 40 5.938 -4.999 7.265 1.00 0.00 C ATOM 567 OG1 THR A 40 4.899 -4.044 7.462 1.00 0.00 O ATOM 568 CG2 THR A 40 7.142 -4.395 7.991 1.00 0.00 C ATOM 0 H THR A 40 4.217 -5.898 5.764 1.00 0.00 H new ATOM 0 HA THR A 40 6.452 -4.048 5.421 1.00 0.00 H new ATOM 0 HB THR A 40 5.762 -6.010 7.633 1.00 0.00 H new ATOM 0 HG1 THR A 40 5.104 -3.495 8.247 1.00 0.00 H new ATOM 0 HG21 THR A 40 6.956 -4.393 9.065 1.00 0.00 H new ATOM 0 HG22 THR A 40 8.031 -4.989 7.778 1.00 0.00 H new ATOM 0 HG23 THR A 40 7.298 -3.372 7.648 1.00 0.00 H new ATOM 576 N GLN A 41 8.350 -5.424 4.901 1.00 0.00 N ATOM 577 CA GLN A 41 9.478 -6.218 4.444 1.00 0.00 C ATOM 578 C GLN A 41 10.793 -5.501 4.758 1.00 0.00 C ATOM 579 O GLN A 41 10.789 -4.349 5.189 1.00 0.00 O ATOM 580 CB GLN A 41 9.364 -6.524 2.949 1.00 0.00 C ATOM 581 CG GLN A 41 8.014 -7.164 2.622 1.00 0.00 C ATOM 582 CD GLN A 41 7.892 -8.547 3.265 1.00 0.00 C ATOM 583 OE1 GLN A 41 8.719 -8.966 4.058 1.00 0.00 O ATOM 584 NE2 GLN A 41 6.818 -9.230 2.879 1.00 0.00 N ATOM 0 H GLN A 41 8.505 -4.416 4.889 1.00 0.00 H new ATOM 0 HA GLN A 41 9.468 -7.169 4.977 1.00 0.00 H new ATOM 0 HB2 GLN A 41 9.483 -5.605 2.376 1.00 0.00 H new ATOM 0 HB3 GLN A 41 10.170 -7.193 2.649 1.00 0.00 H new ATOM 0 HG2 GLN A 41 7.208 -6.522 2.977 1.00 0.00 H new ATOM 0 HG3 GLN A 41 7.901 -7.250 1.541 1.00 0.00 H new ATOM 0 HE21 GLN A 41 6.165 -8.819 2.211 1.00 0.00 H new ATOM 0 HE22 GLN A 41 6.647 -10.164 3.251 1.00 0.00 H new ATOM 593 N ARG A 42 11.887 -6.213 4.530 1.00 0.00 N ATOM 594 CA ARG A 42 13.206 -5.660 4.784 1.00 0.00 C ATOM 595 C ARG A 42 13.723 -4.929 3.543 1.00 0.00 C ATOM 596 O ARG A 42 12.989 -4.751 2.573 1.00 0.00 O ATOM 597 CB ARG A 42 14.199 -6.758 5.172 1.00 0.00 C ATOM 598 CG ARG A 42 14.680 -7.523 3.937 1.00 0.00 C ATOM 599 CD ARG A 42 14.775 -9.023 4.224 1.00 0.00 C ATOM 600 NE ARG A 42 16.040 -9.563 3.679 1.00 0.00 N ATOM 601 CZ ARG A 42 16.299 -9.701 2.362 1.00 0.00 C ATOM 602 NH1 ARG A 42 15.380 -9.339 1.441 1.00 0.00 N ATOM 603 NH2 ARG A 42 17.464 -10.196 1.987 1.00 0.00 N ATOM 0 H ARG A 42 11.887 -7.168 4.172 1.00 0.00 H new ATOM 0 HA ARG A 42 13.117 -4.958 5.613 1.00 0.00 H new ATOM 0 HB2 ARG A 42 15.053 -6.316 5.686 1.00 0.00 H new ATOM 0 HB3 ARG A 42 13.728 -7.449 5.872 1.00 0.00 H new ATOM 0 HG2 ARG A 42 13.994 -7.350 3.108 1.00 0.00 H new ATOM 0 HG3 ARG A 42 15.655 -7.146 3.628 1.00 0.00 H new ATOM 0 HD2 ARG A 42 14.727 -9.200 5.299 1.00 0.00 H new ATOM 0 HD3 ARG A 42 13.926 -9.542 3.778 1.00 0.00 H new ATOM 0 HE ARG A 42 16.762 -9.849 4.341 1.00 0.00 H new ATOM 0 HH11 ARG A 42 14.482 -8.958 1.739 1.00 0.00 H new ATOM 0 HH12 ARG A 42 15.584 -9.447 0.447 1.00 0.00 H new ATOM 0 HH21 ARG A 42 18.152 -10.468 2.689 1.00 0.00 H new ATOM 0 HH22 ARG A 42 17.676 -10.307 0.995 1.00 0.00 H new ATOM 616 N ALA A 43 14.983 -4.526 3.615 1.00 0.00 N ATOM 617 CA ALA A 43 15.607 -3.819 2.510 1.00 0.00 C ATOM 618 C ALA A 43 15.800 -4.783 1.337 1.00 0.00 C ATOM 619 O ALA A 43 16.356 -5.867 1.506 1.00 0.00 O ATOM 620 CB ALA A 43 16.925 -3.199 2.978 1.00 0.00 C ATOM 0 H ALA A 43 15.589 -4.676 4.422 1.00 0.00 H new ATOM 0 HA ALA A 43 14.968 -3.005 2.167 1.00 0.00 H new ATOM 0 HB1 ALA A 43 17.393 -2.669 2.148 1.00 0.00 H new ATOM 0 HB2 ALA A 43 16.730 -2.500 3.791 1.00 0.00 H new ATOM 0 HB3 ALA A 43 17.593 -3.986 3.328 1.00 0.00 H new ATOM 626 N GLY A 44 15.332 -4.352 0.175 1.00 0.00 N ATOM 627 CA GLY A 44 15.446 -5.163 -1.025 1.00 0.00 C ATOM 628 C GLY A 44 14.251 -6.108 -1.163 1.00 0.00 C ATOM 629 O GLY A 44 14.374 -7.310 -0.930 1.00 0.00 O ATOM 0 H GLY A 44 14.873 -3.451 0.039 1.00 0.00 H new ATOM 0 HA2 GLY A 44 15.506 -4.517 -1.901 1.00 0.00 H new ATOM 0 HA3 GLY A 44 16.369 -5.741 -0.991 1.00 0.00 H new ATOM 633 N VAL A 45 13.121 -5.530 -1.543 1.00 0.00 N ATOM 634 CA VAL A 45 11.904 -6.306 -1.715 1.00 0.00 C ATOM 635 C VAL A 45 10.784 -5.387 -2.206 1.00 0.00 C ATOM 636 O VAL A 45 10.893 -4.165 -2.114 1.00 0.00 O ATOM 637 CB VAL A 45 11.556 -7.029 -0.412 1.00 0.00 C ATOM 638 CG1 VAL A 45 10.727 -6.131 0.509 1.00 0.00 C ATOM 639 CG2 VAL A 45 10.829 -8.346 -0.694 1.00 0.00 C ATOM 0 H VAL A 45 13.022 -4.533 -1.737 1.00 0.00 H new ATOM 0 HA VAL A 45 12.047 -7.078 -2.471 1.00 0.00 H new ATOM 0 HB VAL A 45 12.489 -7.264 0.101 1.00 0.00 H new ATOM 0 HG11 VAL A 45 10.493 -6.669 1.428 1.00 0.00 H new ATOM 0 HG12 VAL A 45 11.295 -5.233 0.749 1.00 0.00 H new ATOM 0 HG13 VAL A 45 9.801 -5.851 0.007 1.00 0.00 H new ATOM 0 HG21 VAL A 45 10.593 -8.840 0.248 1.00 0.00 H new ATOM 0 HG22 VAL A 45 9.907 -8.143 -1.238 1.00 0.00 H new ATOM 0 HG23 VAL A 45 11.469 -8.994 -1.293 1.00 0.00 H new ATOM 649 N TRP A 46 9.732 -6.010 -2.718 1.00 0.00 N ATOM 650 CA TRP A 46 8.593 -5.263 -3.224 1.00 0.00 C ATOM 651 C TRP A 46 7.439 -5.434 -2.234 1.00 0.00 C ATOM 652 O TRP A 46 6.882 -6.523 -2.106 1.00 0.00 O ATOM 653 CB TRP A 46 8.234 -5.707 -4.643 1.00 0.00 C ATOM 654 CG TRP A 46 8.910 -4.884 -5.742 1.00 0.00 C ATOM 655 CD1 TRP A 46 10.017 -5.184 -6.435 1.00 0.00 C ATOM 656 CD2 TRP A 46 8.474 -3.605 -6.250 1.00 0.00 C ATOM 657 NE1 TRP A 46 10.326 -4.196 -7.348 1.00 0.00 N ATOM 658 CE2 TRP A 46 9.357 -3.206 -7.232 1.00 0.00 C ATOM 659 CE3 TRP A 46 7.369 -2.812 -5.891 1.00 0.00 C ATOM 660 CZ2 TRP A 46 9.228 -2.003 -7.936 1.00 0.00 C ATOM 661 CZ3 TRP A 46 7.254 -1.613 -6.604 1.00 0.00 C ATOM 662 CH2 TRP A 46 8.135 -1.196 -7.595 1.00 0.00 C ATOM 0 H TRP A 46 9.645 -7.023 -2.793 1.00 0.00 H new ATOM 0 HA TRP A 46 8.830 -4.202 -3.302 1.00 0.00 H new ATOM 0 HB2 TRP A 46 8.510 -6.754 -4.766 1.00 0.00 H new ATOM 0 HB3 TRP A 46 7.153 -5.645 -4.770 1.00 0.00 H new ATOM 0 HD1 TRP A 46 10.595 -6.086 -6.297 1.00 0.00 H new ATOM 0 HE1 TRP A 46 11.119 -4.193 -7.989 1.00 0.00 H new ATOM 0 HE3 TRP A 46 6.665 -3.105 -5.126 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 9.933 -1.713 -8.701 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 6.422 -0.966 -6.367 1.00 0.00 H new ATOM 0 HH2 TRP A 46 7.978 -0.254 -8.100 1.00 0.00 H new ATOM 673 N ALA A 47 7.113 -4.340 -1.560 1.00 0.00 N ATOM 674 CA ALA A 47 6.035 -4.355 -0.586 1.00 0.00 C ATOM 675 C ALA A 47 4.720 -3.997 -1.281 1.00 0.00 C ATOM 676 O ALA A 47 4.474 -2.832 -1.590 1.00 0.00 O ATOM 677 CB ALA A 47 6.369 -3.397 0.559 1.00 0.00 C ATOM 0 H ALA A 47 7.577 -3.438 -1.670 1.00 0.00 H new ATOM 0 HA ALA A 47 5.920 -5.350 -0.156 1.00 0.00 H new ATOM 0 HB1 ALA A 47 5.561 -3.408 1.290 1.00 0.00 H new ATOM 0 HB2 ALA A 47 7.296 -3.712 1.038 1.00 0.00 H new ATOM 0 HB3 ALA A 47 6.489 -2.388 0.166 1.00 0.00 H new ATOM 683 N LYS A 48 3.909 -5.020 -1.508 1.00 0.00 N ATOM 684 CA LYS A 48 2.626 -4.828 -2.161 1.00 0.00 C ATOM 685 C LYS A 48 1.502 -5.129 -1.167 1.00 0.00 C ATOM 686 O LYS A 48 1.448 -6.217 -0.597 1.00 0.00 O ATOM 687 CB LYS A 48 2.549 -5.656 -3.445 1.00 0.00 C ATOM 688 CG LYS A 48 3.901 -5.685 -4.161 1.00 0.00 C ATOM 689 CD LYS A 48 3.742 -5.360 -5.647 1.00 0.00 C ATOM 690 CE LYS A 48 3.787 -6.633 -6.495 1.00 0.00 C ATOM 691 NZ LYS A 48 2.543 -6.776 -7.283 1.00 0.00 N ATOM 0 H LYS A 48 4.116 -5.985 -1.251 1.00 0.00 H new ATOM 0 HA LYS A 48 2.508 -3.790 -2.471 1.00 0.00 H new ATOM 0 HB2 LYS A 48 2.237 -6.673 -3.208 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.792 -5.237 -4.107 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.577 -4.966 -3.698 1.00 0.00 H new ATOM 0 HG3 LYS A 48 4.356 -6.669 -4.047 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.796 -4.843 -5.811 1.00 0.00 H new ATOM 0 HD3 LYS A 48 4.535 -4.681 -5.961 1.00 0.00 H new ATOM 0 HE2 LYS A 48 4.647 -6.601 -7.164 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.918 -7.502 -5.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 2.591 -7.645 -7.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 1.728 -6.828 -6.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 2.434 -5.955 -7.912 1.00 0.00 H new ATOM 704 N ALA A 49 0.633 -4.145 -0.990 1.00 0.00 N ATOM 705 CA ALA A 49 -0.486 -4.290 -0.074 1.00 0.00 C ATOM 706 C ALA A 49 -1.796 -4.143 -0.850 1.00 0.00 C ATOM 707 O ALA A 49 -1.851 -3.435 -1.855 1.00 0.00 O ATOM 708 CB ALA A 49 -0.358 -3.266 1.055 1.00 0.00 C ATOM 0 H ALA A 49 0.681 -3.244 -1.465 1.00 0.00 H new ATOM 0 HA ALA A 49 -0.483 -5.280 0.383 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -1.197 -3.375 1.742 1.00 0.00 H new ATOM 0 HB2 ALA A 49 0.575 -3.432 1.593 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -0.361 -2.260 0.636 1.00 0.00 H new ATOM 714 N THR A 50 -2.820 -4.822 -0.354 1.00 0.00 N ATOM 715 CA THR A 50 -4.126 -4.776 -0.988 1.00 0.00 C ATOM 716 C THR A 50 -5.233 -4.883 0.063 1.00 0.00 C ATOM 717 O THR A 50 -5.056 -5.532 1.092 1.00 0.00 O ATOM 718 CB THR A 50 -4.180 -5.883 -2.042 1.00 0.00 C ATOM 719 OG1 THR A 50 -4.058 -5.189 -3.281 1.00 0.00 O ATOM 720 CG2 THR A 50 -5.555 -6.549 -2.122 1.00 0.00 C ATOM 0 H THR A 50 -2.771 -5.407 0.480 1.00 0.00 H new ATOM 0 HA THR A 50 -4.288 -3.822 -1.490 1.00 0.00 H new ATOM 0 HB THR A 50 -3.425 -6.636 -1.816 1.00 0.00 H new ATOM 0 HG1 THR A 50 -3.305 -4.563 -3.233 1.00 0.00 H new ATOM 0 HG21 THR A 50 -5.539 -7.327 -2.885 1.00 0.00 H new ATOM 0 HG22 THR A 50 -5.801 -6.992 -1.157 1.00 0.00 H new ATOM 0 HG23 THR A 50 -6.306 -5.803 -2.381 1.00 0.00 H new ATOM 728 N VAL A 51 -6.351 -4.237 -0.234 1.00 0.00 N ATOM 729 CA VAL A 51 -7.487 -4.251 0.673 1.00 0.00 C ATOM 730 C VAL A 51 -8.698 -3.629 -0.024 1.00 0.00 C ATOM 731 O VAL A 51 -8.551 -2.712 -0.831 1.00 0.00 O ATOM 732 CB VAL A 51 -7.122 -3.546 1.980 1.00 0.00 C ATOM 733 CG1 VAL A 51 -6.620 -4.548 3.022 1.00 0.00 C ATOM 734 CG2 VAL A 51 -6.089 -2.443 1.739 1.00 0.00 C ATOM 0 H VAL A 51 -6.495 -3.701 -1.090 1.00 0.00 H new ATOM 0 HA VAL A 51 -7.753 -5.275 0.936 1.00 0.00 H new ATOM 0 HB VAL A 51 -8.026 -3.079 2.372 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.367 -4.021 3.942 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -7.400 -5.281 3.227 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -5.735 -5.057 2.641 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -5.847 -1.958 2.685 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -5.185 -2.878 1.313 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -6.498 -1.706 1.048 1.00 0.00 H new ATOM 744 N GLY A 52 -9.868 -4.152 0.312 1.00 0.00 N ATOM 745 CA GLY A 52 -11.104 -3.659 -0.271 1.00 0.00 C ATOM 746 C GLY A 52 -11.451 -4.426 -1.549 1.00 0.00 C ATOM 747 O GLY A 52 -10.788 -5.404 -1.889 1.00 0.00 O ATOM 0 H GLY A 52 -9.986 -4.913 0.981 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -11.916 -3.759 0.450 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -11.006 -2.597 -0.495 1.00 0.00 H new ATOM 751 N ARG A 53 -12.489 -3.952 -2.222 1.00 0.00 N ATOM 752 CA ARG A 53 -12.933 -4.581 -3.454 1.00 0.00 C ATOM 753 C ARG A 53 -14.456 -4.505 -3.571 1.00 0.00 C ATOM 754 O ARG A 53 -15.169 -5.317 -2.984 1.00 0.00 O ATOM 755 CB ARG A 53 -12.497 -6.047 -3.512 1.00 0.00 C ATOM 756 CG ARG A 53 -13.362 -6.838 -4.495 1.00 0.00 C ATOM 757 CD ARG A 53 -13.547 -6.069 -5.805 1.00 0.00 C ATOM 758 NE ARG A 53 -13.609 -7.015 -6.942 1.00 0.00 N ATOM 759 CZ ARG A 53 -14.103 -6.703 -8.159 1.00 0.00 C ATOM 760 NH1 ARG A 53 -14.584 -5.466 -8.408 1.00 0.00 N ATOM 761 NH2 ARG A 53 -14.110 -7.627 -9.103 1.00 0.00 N ATOM 0 H ARG A 53 -13.036 -3.139 -1.937 1.00 0.00 H new ATOM 0 HA ARG A 53 -12.474 -4.043 -4.284 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -11.451 -6.107 -3.813 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -12.570 -6.491 -2.519 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -12.898 -7.803 -4.698 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -14.335 -7.040 -4.047 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -14.461 -5.477 -5.763 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -12.722 -5.371 -5.946 1.00 0.00 H new ATOM 0 HE ARG A 53 -13.257 -7.961 -6.797 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -14.576 -4.758 -7.673 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -14.955 -5.239 -9.331 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -13.746 -8.559 -8.907 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -14.480 -7.408 -10.028 1.00 0.00 H new ATOM 774 N ASN A 54 -14.911 -3.520 -4.333 1.00 0.00 N ATOM 775 CA ASN A 54 -16.337 -3.327 -4.534 1.00 0.00 C ATOM 776 C ASN A 54 -16.570 -2.662 -5.892 1.00 0.00 C ATOM 777 O ASN A 54 -17.048 -3.304 -6.827 1.00 0.00 O ATOM 778 CB ASN A 54 -16.926 -2.417 -3.455 1.00 0.00 C ATOM 779 CG ASN A 54 -17.615 -3.237 -2.362 1.00 0.00 C ATOM 780 OD1 ASN A 54 -17.421 -3.025 -1.176 1.00 0.00 O ATOM 781 ND2 ASN A 54 -18.427 -4.182 -2.826 1.00 0.00 N ATOM 0 H ASN A 54 -14.317 -2.848 -4.818 1.00 0.00 H new ATOM 0 HA ASN A 54 -16.820 -4.303 -4.486 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -16.135 -1.810 -3.015 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -17.642 -1.730 -3.905 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -18.933 -4.783 -2.176 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -18.544 -4.306 -3.832 1.00 0.00 H new ATOM 788 N LEU A 55 -16.222 -1.386 -5.958 1.00 0.00 N ATOM 789 CA LEU A 55 -16.389 -0.627 -7.187 1.00 0.00 C ATOM 790 C LEU A 55 -16.288 0.867 -6.876 1.00 0.00 C ATOM 791 O LEU A 55 -15.873 1.655 -7.725 1.00 0.00 O ATOM 792 CB LEU A 55 -17.689 -1.023 -7.889 1.00 0.00 C ATOM 793 CG LEU A 55 -18.495 0.123 -8.504 1.00 0.00 C ATOM 794 CD1 LEU A 55 -17.884 0.571 -9.833 1.00 0.00 C ATOM 795 CD2 LEU A 55 -19.969 -0.260 -8.651 1.00 0.00 C ATOM 0 H LEU A 55 -15.825 -0.858 -5.181 1.00 0.00 H new ATOM 0 HA LEU A 55 -15.590 -0.861 -7.891 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -17.450 -1.737 -8.677 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -18.323 -1.542 -7.170 1.00 0.00 H new ATOM 0 HG LEU A 55 -18.450 0.975 -7.825 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -18.476 1.386 -10.249 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -16.862 0.912 -9.667 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -17.878 -0.266 -10.531 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -20.519 0.572 -9.090 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -20.055 -1.134 -9.297 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -20.384 -0.492 -7.670 1.00 0.00 H new ATOM 807 N THR A 56 -16.674 1.213 -5.656 1.00 0.00 N ATOM 808 CA THR A 56 -16.632 2.599 -5.223 1.00 0.00 C ATOM 809 C THR A 56 -16.341 2.681 -3.723 1.00 0.00 C ATOM 810 O THR A 56 -17.135 2.216 -2.907 1.00 0.00 O ATOM 811 CB THR A 56 -17.954 3.259 -5.622 1.00 0.00 C ATOM 812 OG1 THR A 56 -18.918 2.220 -5.477 1.00 0.00 O ATOM 813 CG2 THR A 56 -18.007 3.612 -7.110 1.00 0.00 C ATOM 0 H THR A 56 -17.017 0.557 -4.954 1.00 0.00 H new ATOM 0 HA THR A 56 -15.821 3.141 -5.710 1.00 0.00 H new ATOM 0 HB THR A 56 -18.102 4.162 -5.030 1.00 0.00 H new ATOM 0 HG1 THR A 56 -19.805 2.562 -5.714 1.00 0.00 H new ATOM 0 HG21 THR A 56 -18.966 4.077 -7.340 1.00 0.00 H new ATOM 0 HG22 THR A 56 -17.201 4.306 -7.348 1.00 0.00 H new ATOM 0 HG23 THR A 56 -17.893 2.705 -7.703 1.00 0.00 H new ATOM 821 N GLU A 57 -15.200 3.274 -3.406 1.00 0.00 N ATOM 822 CA GLU A 57 -14.793 3.423 -2.019 1.00 0.00 C ATOM 823 C GLU A 57 -13.443 4.138 -1.935 1.00 0.00 C ATOM 824 O GLU A 57 -12.677 4.140 -2.897 1.00 0.00 O ATOM 825 CB GLU A 57 -14.739 2.065 -1.316 1.00 0.00 C ATOM 826 CG GLU A 57 -13.692 1.154 -1.961 1.00 0.00 C ATOM 827 CD GLU A 57 -14.047 0.858 -3.420 1.00 0.00 C ATOM 828 OE1 GLU A 57 -13.607 1.584 -4.324 1.00 0.00 O ATOM 829 OE2 GLU A 57 -14.808 -0.168 -3.598 1.00 0.00 O ATOM 0 H GLU A 57 -14.544 3.657 -4.086 1.00 0.00 H new ATOM 0 HA GLU A 57 -15.537 4.033 -1.506 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -14.503 2.207 -0.261 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -15.718 1.589 -1.362 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -12.712 1.628 -1.910 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -13.624 0.220 -1.403 1.00 0.00 H new ATOM 837 N LYS A 58 -13.193 4.728 -0.775 1.00 0.00 N ATOM 838 CA LYS A 58 -11.949 5.445 -0.553 1.00 0.00 C ATOM 839 C LYS A 58 -10.915 4.490 0.046 1.00 0.00 C ATOM 840 O LYS A 58 -11.229 3.340 0.349 1.00 0.00 O ATOM 841 CB LYS A 58 -12.195 6.695 0.294 1.00 0.00 C ATOM 842 CG LYS A 58 -13.199 7.629 -0.386 1.00 0.00 C ATOM 843 CD LYS A 58 -13.988 8.433 0.650 1.00 0.00 C ATOM 844 CE LYS A 58 -13.191 9.651 1.120 1.00 0.00 C ATOM 845 NZ LYS A 58 -13.932 10.899 0.830 1.00 0.00 N ATOM 0 H LYS A 58 -13.831 4.724 0.021 1.00 0.00 H new ATOM 0 HA LYS A 58 -11.542 5.804 -1.498 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -12.569 6.405 1.276 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -11.254 7.221 0.454 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -12.673 8.309 -1.056 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -13.886 7.046 -0.999 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -14.935 8.758 0.219 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -14.227 7.798 1.503 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -12.998 9.576 2.190 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -12.222 9.673 0.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -13.377 11.716 1.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -14.094 10.976 -0.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -14.847 10.883 1.325 1.00 0.00 H new ATOM 858 N ALA A 59 -9.702 5.002 0.199 1.00 0.00 N ATOM 859 CA ALA A 59 -8.620 4.209 0.756 1.00 0.00 C ATOM 860 C ALA A 59 -7.519 5.142 1.264 1.00 0.00 C ATOM 861 O ALA A 59 -7.338 6.239 0.738 1.00 0.00 O ATOM 862 CB ALA A 59 -8.110 3.226 -0.300 1.00 0.00 C ATOM 0 H ALA A 59 -9.445 5.956 -0.053 1.00 0.00 H new ATOM 0 HA ALA A 59 -8.972 3.622 1.604 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -7.298 2.631 0.119 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -8.922 2.567 -0.606 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -7.746 3.779 -1.166 1.00 0.00 H new ATOM 868 N SER A 60 -6.812 4.672 2.282 1.00 0.00 N ATOM 869 CA SER A 60 -5.734 5.451 2.867 1.00 0.00 C ATOM 870 C SER A 60 -4.398 4.737 2.654 1.00 0.00 C ATOM 871 O SER A 60 -4.185 3.643 3.173 1.00 0.00 O ATOM 872 CB SER A 60 -5.975 5.691 4.358 1.00 0.00 C ATOM 873 OG SER A 60 -7.097 4.957 4.843 1.00 0.00 O ATOM 0 H SER A 60 -6.965 3.762 2.716 1.00 0.00 H new ATOM 0 HA SER A 60 -5.704 6.421 2.370 1.00 0.00 H new ATOM 0 HB2 SER A 60 -5.085 5.406 4.919 1.00 0.00 H new ATOM 0 HB3 SER A 60 -6.135 6.755 4.533 1.00 0.00 H new ATOM 0 HG SER A 60 -7.216 5.136 5.799 1.00 0.00 H new ATOM 879 N PHE A 61 -3.532 5.386 1.889 1.00 0.00 N ATOM 880 CA PHE A 61 -2.222 4.827 1.601 1.00 0.00 C ATOM 881 C PHE A 61 -1.147 5.468 2.480 1.00 0.00 C ATOM 882 O PHE A 61 -1.041 6.687 2.599 1.00 0.00 O ATOM 883 CB PHE A 61 -1.917 5.137 0.134 1.00 0.00 C ATOM 884 CG PHE A 61 -3.048 4.770 -0.828 1.00 0.00 C ATOM 885 CD1 PHE A 61 -3.168 3.494 -1.282 1.00 0.00 C ATOM 886 CD2 PHE A 61 -3.934 5.721 -1.230 1.00 0.00 C ATOM 887 CE1 PHE A 61 -4.218 3.153 -2.176 1.00 0.00 C ATOM 888 CE2 PHE A 61 -4.984 5.380 -2.123 1.00 0.00 C ATOM 889 CZ PHE A 61 -5.104 4.104 -2.577 1.00 0.00 C ATOM 0 H PHE A 61 -3.712 6.294 1.460 1.00 0.00 H new ATOM 0 HA PHE A 61 -2.223 3.755 1.799 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -1.701 6.201 0.036 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -1.015 4.600 -0.160 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -2.465 2.739 -0.963 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -3.839 6.735 -0.870 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -4.313 2.140 -2.537 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -5.688 6.135 -2.442 1.00 0.00 H new ATOM 0 HZ PHE A 61 -5.903 3.845 -3.256 1.00 0.00 H new ATOM 899 N TYR A 62 -0.339 4.606 3.102 1.00 0.00 N ATOM 900 CA TYR A 62 0.730 5.054 3.972 1.00 0.00 C ATOM 901 C TYR A 62 2.014 4.310 3.637 1.00 0.00 C ATOM 902 O TYR A 62 1.978 3.252 3.013 1.00 0.00 O ATOM 903 CB TYR A 62 0.331 4.819 5.426 1.00 0.00 C ATOM 904 CG TYR A 62 -1.027 5.376 5.777 1.00 0.00 C ATOM 905 CD1 TYR A 62 -1.301 6.734 5.573 1.00 0.00 C ATOM 906 CD2 TYR A 62 -2.014 4.535 6.306 1.00 0.00 C ATOM 907 CE1 TYR A 62 -2.561 7.251 5.899 1.00 0.00 C ATOM 908 CE2 TYR A 62 -3.273 5.052 6.632 1.00 0.00 C ATOM 909 CZ TYR A 62 -3.547 6.410 6.429 1.00 0.00 C ATOM 910 OH TYR A 62 -4.774 6.913 6.746 1.00 0.00 O ATOM 0 H TYR A 62 -0.412 3.593 3.013 1.00 0.00 H new ATOM 0 HA TYR A 62 0.904 6.120 3.824 1.00 0.00 H new ATOM 0 HB2 TYR A 62 0.338 3.748 5.628 1.00 0.00 H new ATOM 0 HB3 TYR A 62 1.079 5.271 6.077 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -0.540 7.383 5.164 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -1.804 3.487 6.462 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -2.772 8.298 5.742 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -4.034 4.403 7.040 1.00 0.00 H new ATOM 0 HH TYR A 62 -5.340 6.196 7.101 1.00 0.00 H new ATOM 920 N TYR A 63 3.154 4.866 4.056 1.00 0.00 N ATOM 921 CA TYR A 63 4.441 4.255 3.797 1.00 0.00 C ATOM 922 C TYR A 63 5.467 4.767 4.799 1.00 0.00 C ATOM 923 O TYR A 63 5.149 5.678 5.561 1.00 0.00 O ATOM 924 CB TYR A 63 4.875 4.571 2.369 1.00 0.00 C ATOM 925 CG TYR A 63 4.457 5.945 1.902 1.00 0.00 C ATOM 926 CD1 TYR A 63 4.337 6.991 2.825 1.00 0.00 C ATOM 927 CD2 TYR A 63 4.191 6.173 0.547 1.00 0.00 C ATOM 928 CE1 TYR A 63 3.948 8.265 2.392 1.00 0.00 C ATOM 929 CE2 TYR A 63 3.802 7.446 0.114 1.00 0.00 C ATOM 930 CZ TYR A 63 3.681 8.492 1.037 1.00 0.00 C ATOM 931 OH TYR A 63 3.303 9.733 0.615 1.00 0.00 O ATOM 0 H TYR A 63 3.202 5.742 4.577 1.00 0.00 H new ATOM 0 HA TYR A 63 4.363 3.173 3.908 1.00 0.00 H new ATOM 0 HB2 TYR A 63 5.960 4.487 2.300 1.00 0.00 H new ATOM 0 HB3 TYR A 63 4.454 3.824 1.696 1.00 0.00 H new ATOM 0 HD1 TYR A 63 4.544 6.816 3.870 1.00 0.00 H new ATOM 0 HD2 TYR A 63 4.286 5.366 -0.165 1.00 0.00 H new ATOM 0 HE1 TYR A 63 3.854 9.072 3.104 1.00 0.00 H new ATOM 0 HE2 TYR A 63 3.595 7.621 -0.931 1.00 0.00 H new ATOM 0 HH TYR A 63 3.158 9.719 -0.354 1.00 0.00 H new ATOM 941 N ASN A 64 6.656 4.183 4.781 1.00 0.00 N ATOM 942 CA ASN A 64 7.706 4.597 5.696 1.00 0.00 C ATOM 943 C ASN A 64 8.977 3.797 5.401 1.00 0.00 C ATOM 944 O ASN A 64 9.004 2.985 4.478 1.00 0.00 O ATOM 945 CB ASN A 64 7.307 4.332 7.149 1.00 0.00 C ATOM 946 CG ASN A 64 6.650 5.565 7.770 1.00 0.00 C ATOM 947 OD1 ASN A 64 5.556 5.514 8.308 1.00 0.00 O ATOM 948 ND2 ASN A 64 7.376 6.675 7.667 1.00 0.00 N ATOM 0 H ASN A 64 6.916 3.427 4.148 1.00 0.00 H new ATOM 0 HA ASN A 64 7.873 5.665 5.557 1.00 0.00 H new ATOM 0 HB2 ASN A 64 6.619 3.488 7.193 1.00 0.00 H new ATOM 0 HB3 ASN A 64 8.188 4.055 7.727 1.00 0.00 H new ATOM 0 HD21 ASN A 64 7.024 7.552 8.051 1.00 0.00 H new ATOM 0 HD22 ASN A 64 8.285 6.649 7.204 1.00 0.00 H new ATOM 955 N PHE A 65 10.000 4.056 6.203 1.00 0.00 N ATOM 956 CA PHE A 65 11.271 3.370 6.040 1.00 0.00 C ATOM 957 C PHE A 65 12.105 3.450 7.320 1.00 0.00 C ATOM 958 O PHE A 65 12.009 4.421 8.069 1.00 0.00 O ATOM 959 CB PHE A 65 12.021 4.082 4.912 1.00 0.00 C ATOM 960 CG PHE A 65 11.121 4.907 3.990 1.00 0.00 C ATOM 961 CD1 PHE A 65 10.520 4.319 2.921 1.00 0.00 C ATOM 962 CD2 PHE A 65 10.921 6.229 4.240 1.00 0.00 C ATOM 963 CE1 PHE A 65 9.685 5.086 2.066 1.00 0.00 C ATOM 964 CE2 PHE A 65 10.086 6.995 3.385 1.00 0.00 C ATOM 965 CZ PHE A 65 9.486 6.407 2.316 1.00 0.00 C ATOM 0 H PHE A 65 9.975 4.731 6.967 1.00 0.00 H new ATOM 0 HA PHE A 65 11.100 2.317 5.815 1.00 0.00 H new ATOM 0 HB2 PHE A 65 12.775 4.737 5.348 1.00 0.00 H new ATOM 0 HB3 PHE A 65 12.551 3.339 4.316 1.00 0.00 H new ATOM 0 HD1 PHE A 65 10.678 3.269 2.722 1.00 0.00 H new ATOM 0 HD2 PHE A 65 11.398 6.696 5.089 1.00 0.00 H new ATOM 0 HE1 PHE A 65 9.208 4.619 1.217 1.00 0.00 H new ATOM 0 HE2 PHE A 65 9.927 8.045 3.584 1.00 0.00 H new ATOM 0 HZ PHE A 65 8.851 6.990 1.665 1.00 0.00 H new ATOM 975 N TRP A 66 12.904 2.415 7.533 1.00 0.00 N ATOM 976 CA TRP A 66 13.754 2.355 8.710 1.00 0.00 C ATOM 977 C TRP A 66 14.742 1.202 8.522 1.00 0.00 C ATOM 978 O TRP A 66 15.840 1.223 9.076 1.00 0.00 O ATOM 979 CB TRP A 66 12.918 2.225 9.984 1.00 0.00 C ATOM 980 CG TRP A 66 12.246 0.860 10.150 1.00 0.00 C ATOM 981 CD1 TRP A 66 12.775 -0.264 10.654 1.00 0.00 C ATOM 982 CD2 TRP A 66 10.891 0.519 9.790 1.00 0.00 C ATOM 983 NE1 TRP A 66 11.863 -1.300 10.644 1.00 0.00 N ATOM 984 CE2 TRP A 66 10.681 -0.808 10.102 1.00 0.00 C ATOM 985 CE3 TRP A 66 9.876 1.307 9.219 1.00 0.00 C ATOM 986 CZ2 TRP A 66 9.465 -1.465 9.879 1.00 0.00 C ATOM 987 CZ3 TRP A 66 8.667 0.636 9.002 1.00 0.00 C ATOM 988 CH2 TRP A 66 8.439 -0.700 9.311 1.00 0.00 C ATOM 0 H TRP A 66 12.981 1.611 6.910 1.00 0.00 H new ATOM 0 HA TRP A 66 14.318 3.281 8.826 1.00 0.00 H new ATOM 0 HB2 TRP A 66 13.558 2.411 10.847 1.00 0.00 H new ATOM 0 HB3 TRP A 66 12.150 2.999 9.983 1.00 0.00 H new ATOM 0 HD1 TRP A 66 13.787 -0.348 11.021 1.00 0.00 H new ATOM 0 HE1 TRP A 66 12.026 -2.251 10.974 1.00 0.00 H new ATOM 0 HE3 TRP A 66 10.018 2.348 8.968 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 9.326 -2.506 10.131 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 7.854 1.196 8.564 1.00 0.00 H new ATOM 0 HH2 TRP A 66 7.475 -1.146 9.114 1.00 0.00 H new TER 999 TRP A 66