USER MOD reduce.3.24.130724 H: found=0, std=0, add=573, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 572 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 66 ASN : amide:sc= -0.414 K(o=0.38,f=-11!) USER MOD Set 1.2: A 70 THR OG1 : rot 180:sc= 0.792 USER MOD Set 2.1: A 29 THR OG1 : rot -49:sc= 0.194 USER MOD Set 2.2: A 30 SER OG : rot 180:sc= 0 USER MOD Set 2.3: A 33 GLN :FLIP amide:sc= 0.195 F(o=-0.76,f=0.39) USER MOD Set 3.1: A 10 TYR OH : rot -19:sc= 1.63 USER MOD Set 3.2: A 12 TYR OH : rot 180:sc= 0.863 USER MOD Single : A 1 GLY N :NH3+ -172:sc= -0.0757 (180deg=-0.202) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.0209 USER MOD Single : A 4 SER OG : rot 28:sc= 0.124 USER MOD Single : A 7 GLN : amide:sc= -0.858 K(o=-0.86,f=-1.6!) USER MOD Single : A 11 ASN : amide:sc= -0.464 X(o=-0.46,f=-0.082) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -3.1 X(o=-3.1,f=-2.7!) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0742 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.0527 USER MOD Single : A 41 THR OG1 : rot -27:sc= 0.524 USER MOD Single : A 45 HIS : no HD1:sc= -0.506 K(o=-0.51,f=-1.2) USER MOD Single : A 53 LYS NZ :NH3+ -130:sc= -0.146 (180deg=-2.77!) USER MOD Single : A 55 LYS NZ :NH3+ 166:sc=-0.00495 (180deg=-0.0715) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -0.53 K(o=-0.53,f=-2.3!) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.055 USER MOD Single : A 74 SER OG : rot 180:sc= -0.199 USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.248 0.351 0.024 1.00 62.14 N ATOM 2 CA GLY A 1 2.836 0.126 -1.284 1.00 72.30 C ATOM 3 C GLY A 1 2.127 0.901 -2.377 1.00 22.14 C ATOM 4 O GLY A 1 2.702 1.165 -3.434 1.00 61.32 O ATOM 0 H1 GLY A 1 2.845 -0.089 0.753 1.00 62.14 H new ATOM 0 H2 GLY A 1 2.179 1.373 0.203 1.00 62.14 H new ATOM 0 H3 GLY A 1 1.298 -0.070 0.054 1.00 62.14 H new ATOM 0 HA2 GLY A 1 3.887 0.414 -1.261 1.00 72.30 H new ATOM 0 HA3 GLY A 1 2.802 -0.938 -1.516 1.00 72.30 H new ATOM 10 N THR A 2 0.874 1.266 -2.125 1.00 31.43 N ATOM 11 CA THR A 2 0.086 2.013 -3.098 1.00 21.31 C ATOM 12 C THR A 2 -0.048 3.476 -2.690 1.00 71.43 C ATOM 13 O THR A 2 0.129 3.840 -1.527 1.00 32.13 O ATOM 14 CB THR A 2 -1.321 1.409 -3.263 1.00 31.02 C ATOM 15 OG1 THR A 2 -1.736 0.788 -2.040 1.00 74.52 O ATOM 16 CG2 THR A 2 -1.341 0.386 -4.388 1.00 63.13 C ATOM 0 H THR A 2 0.383 1.057 -1.256 1.00 31.43 H new ATOM 0 HA THR A 2 0.615 1.950 -4.049 1.00 21.31 H new ATOM 0 HB THR A 2 -2.011 2.215 -3.512 1.00 31.02 H new ATOM 0 HG1 THR A 2 -2.632 0.408 -2.154 1.00 74.52 H new ATOM 0 HG21 THR A 2 -2.345 -0.027 -4.486 1.00 63.13 H new ATOM 0 HG22 THR A 2 -1.054 0.867 -5.323 1.00 63.13 H new ATOM 0 HG23 THR A 2 -0.639 -0.417 -4.163 1.00 63.13 H new ATOM 24 N PRO A 3 -0.366 4.338 -3.668 1.00 22.24 N ATOM 25 CA PRO A 3 -0.532 5.775 -3.435 1.00 51.53 C ATOM 26 C PRO A 3 -1.780 6.090 -2.615 1.00 21.02 C ATOM 27 O PRO A 3 -2.811 5.437 -2.765 1.00 25.42 O ATOM 28 CB PRO A 3 -0.659 6.352 -4.846 1.00 52.33 C ATOM 29 CG PRO A 3 -1.178 5.224 -5.671 1.00 61.01 C ATOM 30 CD PRO A 3 -0.591 3.972 -5.077 1.00 71.24 C ATOM 0 HA PRO A 3 0.296 6.193 -2.863 1.00 51.53 H new ATOM 0 HB2 PRO A 3 -1.340 7.203 -4.866 1.00 52.33 H new ATOM 0 HB3 PRO A 3 0.303 6.705 -5.218 1.00 52.33 H new ATOM 0 HG2 PRO A 3 -2.267 5.193 -5.649 1.00 61.01 H new ATOM 0 HG3 PRO A 3 -0.884 5.336 -6.715 1.00 61.01 H new ATOM 0 HD2 PRO A 3 -1.272 3.126 -5.169 1.00 71.24 H new ATOM 0 HD3 PRO A 3 0.338 3.689 -5.572 1.00 71.24 H new ATOM 38 N SER A 4 -1.677 7.095 -1.752 1.00 53.30 N ATOM 39 CA SER A 4 -2.796 7.494 -0.907 1.00 1.23 C ATOM 40 C SER A 4 -2.756 8.993 -0.623 1.00 70.21 C ATOM 41 O SER A 4 -1.724 9.641 -0.798 1.00 72.45 O ATOM 42 CB SER A 4 -2.775 6.712 0.408 1.00 45.22 C ATOM 43 OG SER A 4 -3.454 5.475 0.277 1.00 21.10 O ATOM 0 H SER A 4 -0.830 7.648 -1.619 1.00 53.30 H new ATOM 0 HA SER A 4 -3.720 7.268 -1.440 1.00 1.23 H new ATOM 0 HB2 SER A 4 -1.744 6.534 0.712 1.00 45.22 H new ATOM 0 HB3 SER A 4 -3.241 7.305 1.195 1.00 45.22 H new ATOM 0 HG SER A 4 -3.407 5.173 -0.654 1.00 21.10 H new ATOM 49 N ALA A 5 -3.885 9.536 -0.182 1.00 44.51 N ATOM 50 CA ALA A 5 -3.978 10.958 0.130 1.00 71.53 C ATOM 51 C ALA A 5 -2.912 11.368 1.139 1.00 64.50 C ATOM 52 O ALA A 5 -2.503 12.529 1.185 1.00 75.23 O ATOM 53 CB ALA A 5 -5.365 11.291 0.657 1.00 50.33 C ATOM 0 H ALA A 5 -4.748 9.014 -0.032 1.00 44.51 H new ATOM 0 HA ALA A 5 -3.806 11.520 -0.788 1.00 71.53 H new ATOM 0 HB1 ALA A 5 -5.421 12.355 0.886 1.00 50.33 H new ATOM 0 HB2 ALA A 5 -6.111 11.042 -0.098 1.00 50.33 H new ATOM 0 HB3 ALA A 5 -5.559 10.714 1.562 1.00 50.33 H new ATOM 59 N ASP A 6 -2.468 10.412 1.947 1.00 73.12 N ATOM 60 CA ASP A 6 -1.448 10.675 2.956 1.00 73.34 C ATOM 61 C ASP A 6 -0.098 10.958 2.305 1.00 50.31 C ATOM 62 O ASP A 6 0.738 11.663 2.867 1.00 61.44 O ATOM 63 CB ASP A 6 -1.330 9.488 3.913 1.00 32.21 C ATOM 64 CG ASP A 6 -0.289 9.716 4.991 1.00 10.24 C ATOM 65 OD1 ASP A 6 -0.617 10.364 6.008 1.00 72.44 O ATOM 66 OD2 ASP A 6 0.855 9.248 4.819 1.00 60.32 O1- ATOM 0 H ASP A 6 -2.798 9.447 1.923 1.00 73.12 H new ATOM 0 HA ASP A 6 -1.749 11.558 3.520 1.00 73.34 H new ATOM 0 HB2 ASP A 6 -2.298 9.303 4.379 1.00 32.21 H new ATOM 0 HB3 ASP A 6 -1.073 8.593 3.347 1.00 32.21 H new ATOM 71 N GLN A 7 0.107 10.400 1.115 1.00 61.34 N ATOM 72 CA GLN A 7 1.356 10.589 0.388 1.00 33.32 C ATOM 73 C GLN A 7 1.448 12.004 -0.177 1.00 30.12 C ATOM 74 O GLN A 7 2.540 12.547 -0.345 1.00 65.14 O ATOM 75 CB GLN A 7 1.474 9.568 -0.743 1.00 3.44 C ATOM 76 CG GLN A 7 1.834 8.170 -0.265 1.00 3.33 C ATOM 77 CD GLN A 7 2.633 7.391 -1.293 1.00 3.22 C ATOM 78 OE1 GLN A 7 2.270 6.272 -1.659 1.00 64.11 O ATOM 79 NE2 GLN A 7 3.727 7.979 -1.763 1.00 43.14 N ATOM 0 H GLN A 7 -0.576 9.814 0.635 1.00 61.34 H new ATOM 0 HA GLN A 7 2.179 10.441 1.087 1.00 33.32 H new ATOM 0 HB2 GLN A 7 0.528 9.526 -1.284 1.00 3.44 H new ATOM 0 HB3 GLN A 7 2.231 9.907 -1.450 1.00 3.44 H new ATOM 0 HG2 GLN A 7 2.409 8.242 0.658 1.00 3.33 H new ATOM 0 HG3 GLN A 7 0.921 7.624 -0.030 1.00 3.33 H new ATOM 0 HE21 GLN A 7 3.990 8.907 -1.431 1.00 43.14 H new ATOM 0 HE22 GLN A 7 4.305 7.503 -2.456 1.00 43.14 H new ATOM 88 N VAL A 8 0.294 12.595 -0.469 1.00 11.23 N ATOM 89 CA VAL A 8 0.244 13.945 -1.014 1.00 70.32 C ATOM 90 C VAL A 8 0.024 14.976 0.088 1.00 51.41 C ATOM 91 O VAL A 8 -0.477 16.072 -0.164 1.00 2.43 O ATOM 92 CB VAL A 8 -0.876 14.086 -2.063 1.00 23.21 C ATOM 93 CG1 VAL A 8 -0.574 13.232 -3.284 1.00 70.42 C ATOM 94 CG2 VAL A 8 -2.221 13.711 -1.460 1.00 21.21 C ATOM 0 H VAL A 8 -0.619 12.159 -0.337 1.00 11.23 H new ATOM 0 HA VAL A 8 1.206 14.128 -1.492 1.00 70.32 H new ATOM 0 HB VAL A 8 -0.924 15.128 -2.380 1.00 23.21 H new ATOM 0 HG11 VAL A 8 -1.376 13.344 -4.014 1.00 70.42 H new ATOM 0 HG12 VAL A 8 0.368 13.552 -3.728 1.00 70.42 H new ATOM 0 HG13 VAL A 8 -0.498 12.186 -2.987 1.00 70.42 H new ATOM 0 HG21 VAL A 8 -3.000 13.816 -2.215 1.00 21.21 H new ATOM 0 HG22 VAL A 8 -2.189 12.678 -1.113 1.00 21.21 H new ATOM 0 HG23 VAL A 8 -2.439 14.369 -0.619 1.00 21.21 H new ATOM 104 N ARG A 9 0.401 14.616 1.311 1.00 23.24 N ATOM 105 CA ARG A 9 0.245 15.509 2.452 1.00 13.23 C ATOM 106 C ARG A 9 1.268 16.639 2.402 1.00 52.15 C ATOM 107 O ARG A 9 2.075 16.719 1.476 1.00 24.40 O ATOM 108 CB ARG A 9 0.394 14.729 3.760 1.00 64.10 C ATOM 109 CG ARG A 9 -0.880 14.029 4.200 1.00 33.12 C ATOM 110 CD ARG A 9 -1.887 15.012 4.776 1.00 30.54 C ATOM 111 NE ARG A 9 -2.870 14.351 5.631 1.00 63.31 N ATOM 112 CZ ARG A 9 -3.681 15.002 6.456 1.00 44.51 C ATOM 113 NH1 ARG A 9 -3.629 16.324 6.538 1.00 13.12 N1+ ATOM 114 NH2 ARG A 9 -4.550 14.331 7.201 1.00 52.12 N ATOM 0 H ARG A 9 0.817 13.712 1.536 1.00 23.24 H new ATOM 0 HA ARG A 9 -0.753 15.944 2.407 1.00 13.23 H new ATOM 0 HB2 ARG A 9 1.184 13.987 3.643 1.00 64.10 H new ATOM 0 HB3 ARG A 9 0.713 15.413 4.547 1.00 64.10 H new ATOM 0 HG2 ARG A 9 -1.323 13.509 3.350 1.00 33.12 H new ATOM 0 HG3 ARG A 9 -0.641 13.272 4.947 1.00 33.12 H new ATOM 0 HD2 ARG A 9 -1.361 15.775 5.351 1.00 30.54 H new ATOM 0 HD3 ARG A 9 -2.400 15.524 3.962 1.00 30.54 H new ATOM 0 HE ARG A 9 -2.937 13.334 5.592 1.00 63.31 H new ATOM 0 HH11 ARG A 9 -2.964 16.845 5.966 1.00 13.12 H new ATOM 0 HH12 ARG A 9 -4.254 16.821 7.173 1.00 13.12 H new ATOM 0 HH21 ARG A 9 -4.595 13.314 7.140 1.00 52.12 H new ATOM 0 HH22 ARG A 9 -5.173 14.832 7.835 1.00 52.12 H new ATOM 128 N TYR A 10 1.226 17.513 3.402 1.00 14.33 N ATOM 129 CA TYR A 10 2.147 18.641 3.471 1.00 71.55 C ATOM 130 C TYR A 10 2.538 18.939 4.914 1.00 52.43 C ATOM 131 O TYR A 10 1.850 18.534 5.852 1.00 74.35 O ATOM 132 CB TYR A 10 1.516 19.881 2.837 1.00 34.44 C ATOM 133 CG TYR A 10 0.404 20.486 3.665 1.00 40.24 C ATOM 134 CD1 TYR A 10 0.682 21.395 4.678 1.00 21.35 C ATOM 135 CD2 TYR A 10 -0.924 20.148 3.432 1.00 40.41 C ATOM 136 CE1 TYR A 10 -0.331 21.948 5.438 1.00 1.11 C ATOM 137 CE2 TYR A 10 -1.943 20.698 4.186 1.00 61.22 C ATOM 138 CZ TYR A 10 -1.641 21.596 5.188 1.00 2.14 C ATOM 139 OH TYR A 10 -2.652 22.147 5.940 1.00 11.10 O ATOM 0 H TYR A 10 0.564 17.462 4.176 1.00 14.33 H new ATOM 0 HA TYR A 10 3.047 18.375 2.917 1.00 71.55 H new ATOM 0 HB2 TYR A 10 2.290 20.632 2.680 1.00 34.44 H new ATOM 0 HB3 TYR A 10 1.124 19.617 1.855 1.00 34.44 H new ATOM 0 HD1 TYR A 10 1.707 21.674 4.875 1.00 21.35 H new ATOM 0 HD2 TYR A 10 -1.163 19.444 2.649 1.00 40.41 H new ATOM 0 HE1 TYR A 10 -0.098 22.652 6.223 1.00 1.11 H new ATOM 0 HE2 TYR A 10 -2.970 20.426 3.992 1.00 61.22 H new ATOM 0 HH TYR A 10 -2.282 22.505 6.774 1.00 11.10 H new ATOM 149 N ASN A 11 3.650 19.648 5.087 1.00 42.23 N ATOM 150 CA ASN A 11 4.133 20.001 6.416 1.00 42.31 C ATOM 151 C ASN A 11 4.213 21.515 6.582 1.00 20.03 C ATOM 152 O ASN A 11 4.558 22.235 5.645 1.00 44.41 O ATOM 153 CB ASN A 11 5.508 19.376 6.663 1.00 13.35 C ATOM 154 CG ASN A 11 6.195 19.953 7.886 1.00 32.15 C ATOM 155 OD1 ASN A 11 5.703 19.824 9.007 1.00 50.24 O ATOM 156 ND2 ASN A 11 7.338 20.596 7.675 1.00 62.24 N ATOM 0 H ASN A 11 4.233 19.989 4.322 1.00 42.23 H new ATOM 0 HA ASN A 11 3.426 19.611 7.148 1.00 42.31 H new ATOM 0 HB2 ASN A 11 5.397 18.299 6.786 1.00 13.35 H new ATOM 0 HB3 ASN A 11 6.138 19.534 5.788 1.00 13.35 H new ATOM 0 HD21 ASN A 11 7.844 21.007 8.459 1.00 62.24 H new ATOM 0 HD22 ASN A 11 7.709 20.679 6.729 1.00 62.24 H new ATOM 163 N TYR A 12 3.893 21.990 7.780 1.00 45.02 N ATOM 164 CA TYR A 12 3.926 23.419 8.069 1.00 72.31 C ATOM 165 C TYR A 12 5.355 23.890 8.328 1.00 31.24 C ATOM 166 O TYR A 12 5.999 23.461 9.286 1.00 51.10 O ATOM 167 CB TYR A 12 3.045 23.737 9.279 1.00 11.32 C ATOM 168 CG TYR A 12 1.565 23.690 8.979 1.00 4.11 C ATOM 169 CD1 TYR A 12 0.969 24.655 8.176 1.00 5.04 C ATOM 170 CD2 TYR A 12 0.762 22.682 9.499 1.00 12.20 C ATOM 171 CE1 TYR A 12 -0.385 24.616 7.899 1.00 33.01 C ATOM 172 CE2 TYR A 12 -0.591 22.635 9.226 1.00 33.51 C ATOM 173 CZ TYR A 12 -1.160 23.604 8.427 1.00 53.13 C ATOM 174 OH TYR A 12 -2.509 23.562 8.153 1.00 31.24 O ATOM 0 H TYR A 12 3.608 21.407 8.567 1.00 45.02 H new ATOM 0 HA TYR A 12 3.540 23.949 7.198 1.00 72.31 H new ATOM 0 HB2 TYR A 12 3.268 23.028 10.077 1.00 11.32 H new ATOM 0 HB3 TYR A 12 3.300 24.729 9.653 1.00 11.32 H new ATOM 0 HD1 TYR A 12 1.573 25.448 7.762 1.00 5.04 H new ATOM 0 HD2 TYR A 12 1.203 21.923 10.127 1.00 12.20 H new ATOM 0 HE1 TYR A 12 -0.833 25.373 7.273 1.00 33.01 H new ATOM 0 HE2 TYR A 12 -1.200 21.843 9.636 1.00 33.51 H new ATOM 0 HH TYR A 12 -2.909 22.787 8.599 1.00 31.24 H new ATOM 184 N THR A 13 5.844 24.776 7.468 1.00 52.44 N ATOM 185 CA THR A 13 7.195 25.305 7.600 1.00 21.44 C ATOM 186 C THR A 13 7.187 26.829 7.642 1.00 1.51 C ATOM 187 O THR A 13 6.169 27.461 7.360 1.00 61.40 O ATOM 188 CB THR A 13 8.098 24.839 6.442 1.00 0.51 C ATOM 189 OG1 THR A 13 7.682 25.457 5.218 1.00 12.51 O ATOM 190 CG2 THR A 13 8.051 23.327 6.294 1.00 33.31 C ATOM 0 H THR A 13 5.324 25.143 6.671 1.00 52.44 H new ATOM 0 HA THR A 13 7.594 24.920 8.538 1.00 21.44 H new ATOM 0 HB THR A 13 9.123 25.134 6.668 1.00 0.51 H new ATOM 0 HG1 THR A 13 8.262 25.157 4.487 1.00 12.51 H new ATOM 0 HG21 THR A 13 8.696 23.022 5.470 1.00 33.31 H new ATOM 0 HG22 THR A 13 8.395 22.860 7.217 1.00 33.31 H new ATOM 0 HG23 THR A 13 7.028 23.013 6.089 1.00 33.31 H new ATOM 198 N GLU A 14 8.327 27.412 7.995 1.00 33.12 N ATOM 199 CA GLU A 14 8.450 28.864 8.073 1.00 45.32 C ATOM 200 C GLU A 14 9.026 29.431 6.779 1.00 72.14 C ATOM 201 O GLU A 14 9.825 28.782 6.105 1.00 2.41 O ATOM 202 CB GLU A 14 9.337 29.260 9.256 1.00 43.44 C ATOM 203 CG GLU A 14 8.650 30.180 10.251 1.00 35.42 C ATOM 204 CD GLU A 14 9.602 30.723 11.297 1.00 64.44 C ATOM 205 OE1 GLU A 14 10.735 30.207 11.395 1.00 12.22 O ATOM 206 OE2 GLU A 14 9.215 31.667 12.017 1.00 31.43 O1- ATOM 0 H GLU A 14 9.179 26.903 8.232 1.00 33.12 H new ATOM 0 HA GLU A 14 7.453 29.280 8.220 1.00 45.32 H new ATOM 0 HB2 GLU A 14 9.662 28.357 9.773 1.00 43.44 H new ATOM 0 HB3 GLU A 14 10.234 29.752 8.878 1.00 43.44 H new ATOM 0 HG2 GLU A 14 8.192 31.012 9.715 1.00 35.42 H new ATOM 0 HG3 GLU A 14 7.844 29.637 10.745 1.00 35.42 H new ATOM 213 N LEU A 15 8.613 30.648 6.439 1.00 31.01 N ATOM 214 CA LEU A 15 9.086 31.305 5.226 1.00 75.52 C ATOM 215 C LEU A 15 9.882 32.563 5.562 1.00 52.53 C ATOM 216 O LEU A 15 9.754 33.136 6.644 1.00 52.44 O ATOM 217 CB LEU A 15 7.905 31.662 4.321 1.00 45.14 C ATOM 218 CG LEU A 15 7.382 30.538 3.427 1.00 61.13 C ATOM 219 CD1 LEU A 15 6.009 30.890 2.877 1.00 24.13 C ATOM 220 CD2 LEU A 15 8.357 30.260 2.293 1.00 34.00 C ATOM 0 H LEU A 15 7.952 31.199 6.987 1.00 31.01 H new ATOM 0 HA LEU A 15 9.742 30.612 4.700 1.00 75.52 H new ATOM 0 HB2 LEU A 15 7.085 32.012 4.948 1.00 45.14 H new ATOM 0 HB3 LEU A 15 8.199 32.497 3.686 1.00 45.14 H new ATOM 0 HG LEU A 15 7.290 29.634 4.029 1.00 61.13 H new ATOM 0 HD11 LEU A 15 5.652 30.079 2.243 1.00 24.13 H new ATOM 0 HD12 LEU A 15 5.313 31.038 3.703 1.00 24.13 H new ATOM 0 HD13 LEU A 15 6.076 31.806 2.290 1.00 24.13 H new ATOM 0 HD21 LEU A 15 7.968 29.457 1.667 1.00 34.00 H new ATOM 0 HD22 LEU A 15 8.482 31.161 1.692 1.00 34.00 H new ATOM 0 HD23 LEU A 15 9.321 29.963 2.706 1.00 34.00 H new ATOM 232 N PRO A 16 10.721 33.003 4.613 1.00 52.33 N ATOM 233 CA PRO A 16 11.553 34.199 4.785 1.00 73.22 C ATOM 234 C PRO A 16 10.728 35.482 4.789 1.00 42.24 C ATOM 235 O PRO A 16 11.249 36.565 5.051 1.00 30.55 O ATOM 236 CB PRO A 16 12.480 34.163 3.569 1.00 54.14 C ATOM 237 CG PRO A 16 11.730 33.386 2.542 1.00 53.42 C ATOM 238 CD PRO A 16 10.924 32.368 3.301 1.00 70.53 C ATOM 0 HA PRO A 16 12.080 34.197 5.739 1.00 73.22 H new ATOM 0 HB2 PRO A 16 12.708 35.169 3.216 1.00 54.14 H new ATOM 0 HB3 PRO A 16 13.430 33.686 3.810 1.00 54.14 H new ATOM 0 HG2 PRO A 16 11.083 34.038 1.955 1.00 53.42 H new ATOM 0 HG3 PRO A 16 12.412 32.902 1.844 1.00 53.42 H new ATOM 0 HD2 PRO A 16 9.976 32.156 2.806 1.00 70.53 H new ATOM 0 HD3 PRO A 16 11.456 31.421 3.391 1.00 70.53 H new ATOM 246 N ASN A 17 9.438 35.352 4.496 1.00 3.13 N ATOM 247 CA ASN A 17 8.541 36.501 4.466 1.00 21.43 C ATOM 248 C ASN A 17 7.811 36.657 5.797 1.00 30.55 C ATOM 249 O ASN A 17 7.019 37.581 5.978 1.00 12.42 O ATOM 250 CB ASN A 17 7.528 36.355 3.330 1.00 30.03 C ATOM 251 CG ASN A 17 7.177 34.905 3.051 1.00 50.24 C ATOM 252 OD1 ASN A 17 7.841 34.234 2.262 1.00 12.44 O ATOM 253 ND2 ASN A 17 6.127 34.415 3.701 1.00 24.23 N ATOM 0 H ASN A 17 8.991 34.462 4.276 1.00 3.13 H new ATOM 0 HA ASN A 17 9.142 37.394 4.295 1.00 21.43 H new ATOM 0 HB2 ASN A 17 6.621 36.903 3.583 1.00 30.03 H new ATOM 0 HB3 ASN A 17 7.933 36.809 2.425 1.00 30.03 H new ATOM 0 HD21 ASN A 17 5.843 33.446 3.555 1.00 24.23 H new ATOM 0 HD22 ASN A 17 5.605 35.007 4.346 1.00 24.23 H new ATOM 260 N GLY A 18 8.085 35.745 6.726 1.00 75.24 N ATOM 261 CA GLY A 18 7.446 35.800 8.028 1.00 63.13 C ATOM 262 C GLY A 18 6.290 34.826 8.148 1.00 23.55 C ATOM 263 O GLY A 18 5.949 34.390 9.247 1.00 61.41 O ATOM 0 H GLY A 18 8.737 34.971 6.600 1.00 75.24 H new ATOM 0 HA2 GLY A 18 8.183 35.581 8.801 1.00 63.13 H new ATOM 0 HA3 GLY A 18 7.085 36.812 8.210 1.00 63.13 H new ATOM 267 N GLU A 19 5.686 34.485 7.014 1.00 64.42 N ATOM 268 CA GLU A 19 4.560 33.558 6.998 1.00 70.10 C ATOM 269 C GLU A 19 5.043 32.112 7.057 1.00 45.33 C ATOM 270 O GLU A 19 6.246 31.850 7.096 1.00 50.13 O ATOM 271 CB GLU A 19 3.711 33.772 5.742 1.00 2.11 C ATOM 272 CG GLU A 19 3.336 35.225 5.503 1.00 53.05 C ATOM 273 CD GLU A 19 2.519 35.812 6.640 1.00 73.31 C ATOM 274 OE1 GLU A 19 3.128 36.305 7.612 1.00 64.10 O ATOM 275 OE2 GLU A 19 1.275 35.777 6.555 1.00 52.10 O1- ATOM 0 H GLU A 19 5.957 34.836 6.095 1.00 64.42 H new ATOM 0 HA GLU A 19 3.949 33.755 7.879 1.00 70.10 H new ATOM 0 HB2 GLU A 19 4.258 33.399 4.876 1.00 2.11 H new ATOM 0 HB3 GLU A 19 2.800 33.179 5.824 1.00 2.11 H new ATOM 0 HG2 GLU A 19 4.244 35.814 5.371 1.00 53.05 H new ATOM 0 HG3 GLU A 19 2.769 35.302 4.575 1.00 53.05 H new ATOM 282 N TYR A 20 4.099 31.178 7.066 1.00 61.53 N ATOM 283 CA TYR A 20 4.428 29.759 7.124 1.00 34.14 C ATOM 284 C TYR A 20 4.496 29.158 5.723 1.00 55.31 C ATOM 285 O TYR A 20 5.569 28.790 5.243 1.00 31.44 O ATOM 286 CB TYR A 20 3.394 29.008 7.963 1.00 60.13 C ATOM 287 CG TYR A 20 3.804 28.824 9.408 1.00 60.13 C ATOM 288 CD1 TYR A 20 3.533 29.801 10.357 1.00 0.13 C ATOM 289 CD2 TYR A 20 4.464 27.674 9.822 1.00 15.40 C ATOM 290 CE1 TYR A 20 3.905 29.639 11.676 1.00 4.43 C ATOM 291 CE2 TYR A 20 4.841 27.503 11.140 1.00 61.50 C ATOM 292 CZ TYR A 20 4.559 28.488 12.063 1.00 52.13 C ATOM 293 OH TYR A 20 4.933 28.321 13.378 1.00 70.22 O ATOM 0 H TYR A 20 3.099 31.378 7.034 1.00 61.53 H new ATOM 0 HA TYR A 20 5.408 29.658 7.591 1.00 34.14 H new ATOM 0 HB2 TYR A 20 2.448 29.549 7.929 1.00 60.13 H new ATOM 0 HB3 TYR A 20 3.218 28.029 7.517 1.00 60.13 H new ATOM 0 HD1 TYR A 20 3.022 30.704 10.057 1.00 0.13 H new ATOM 0 HD2 TYR A 20 4.686 26.901 9.102 1.00 15.40 H new ATOM 0 HE1 TYR A 20 3.685 30.409 12.401 1.00 4.43 H new ATOM 0 HE2 TYR A 20 5.354 26.603 11.446 1.00 61.50 H new ATOM 0 HH TYR A 20 5.382 27.456 13.483 1.00 70.22 H new ATOM 303 N CYS A 21 3.343 29.061 5.071 1.00 45.41 N ATOM 304 CA CYS A 21 3.268 28.506 3.726 1.00 22.34 C ATOM 305 C CYS A 21 1.853 28.623 3.166 1.00 21.40 C ATOM 306 O CYS A 21 0.880 28.680 3.918 1.00 34.13 O ATOM 307 CB CYS A 21 3.704 27.040 3.732 1.00 14.31 C ATOM 308 SG CYS A 21 2.504 25.908 4.506 1.00 72.04 S ATOM 0 H CYS A 21 2.446 29.360 5.453 1.00 45.41 H new ATOM 0 HA CYS A 21 3.942 29.077 3.087 1.00 22.34 H new ATOM 0 HB2 CYS A 21 3.878 26.720 2.705 1.00 14.31 H new ATOM 0 HB3 CYS A 21 4.656 26.958 4.257 1.00 14.31 H new ATOM 313 N TYR A 22 1.747 28.662 1.842 1.00 73.41 N ATOM 314 CA TYR A 22 0.452 28.775 1.182 1.00 25.14 C ATOM 315 C TYR A 22 -0.175 27.400 0.974 1.00 21.32 C ATOM 316 O TYR A 22 0.400 26.534 0.313 1.00 14.24 O ATOM 317 CB TYR A 22 0.603 29.487 -0.162 1.00 71.24 C ATOM 318 CG TYR A 22 0.717 30.991 -0.042 1.00 53.20 C ATOM 319 CD1 TYR A 22 -0.177 31.714 0.739 1.00 71.22 C ATOM 320 CD2 TYR A 22 1.715 31.688 -0.709 1.00 33.03 C ATOM 321 CE1 TYR A 22 -0.078 33.087 0.852 1.00 43.51 C ATOM 322 CE2 TYR A 22 1.824 33.060 -0.601 1.00 75.54 C ATOM 323 CZ TYR A 22 0.924 33.757 0.181 1.00 12.31 C ATOM 324 OH TYR A 22 1.027 35.124 0.291 1.00 10.53 O ATOM 0 H TYR A 22 2.542 28.617 1.205 1.00 73.41 H new ATOM 0 HA TYR A 22 -0.205 29.361 1.825 1.00 25.14 H new ATOM 0 HB2 TYR A 22 1.488 29.103 -0.669 1.00 71.24 H new ATOM 0 HB3 TYR A 22 -0.254 29.245 -0.790 1.00 71.24 H new ATOM 0 HD1 TYR A 22 -0.962 31.193 1.267 1.00 71.22 H new ATOM 0 HD2 TYR A 22 2.419 31.147 -1.324 1.00 33.03 H new ATOM 0 HE1 TYR A 22 -0.782 33.633 1.463 1.00 43.51 H new ATOM 0 HE2 TYR A 22 2.609 33.585 -1.125 1.00 75.54 H new ATOM 0 HH TYR A 22 1.786 35.439 -0.243 1.00 10.53 H new ATOM 334 N THR A 23 -1.361 27.206 1.542 1.00 31.22 N ATOM 335 CA THR A 23 -2.069 25.937 1.420 1.00 12.23 C ATOM 336 C THR A 23 -2.135 25.482 -0.032 1.00 3.11 C ATOM 337 O THR A 23 -1.944 26.265 -0.964 1.00 50.51 O ATOM 338 CB THR A 23 -3.500 26.037 1.981 1.00 70.34 C ATOM 339 OG1 THR A 23 -3.935 27.400 1.978 1.00 51.01 O ATOM 340 CG2 THR A 23 -3.568 25.482 3.395 1.00 42.22 C ATOM 0 H THR A 23 -1.852 27.912 2.091 1.00 31.22 H new ATOM 0 HA THR A 23 -1.509 25.205 2.002 1.00 12.23 H new ATOM 0 HB THR A 23 -4.157 25.445 1.343 1.00 70.34 H new ATOM 0 HG1 THR A 23 -4.846 27.453 2.335 1.00 51.01 H new ATOM 0 HG21 THR A 23 -4.588 25.564 3.769 1.00 42.22 H new ATOM 0 HG22 THR A 23 -3.266 24.435 3.390 1.00 42.22 H new ATOM 0 HG23 THR A 23 -2.898 26.049 4.041 1.00 42.22 H new ATOM 348 N PRO A 24 -2.412 24.185 -0.236 1.00 10.51 N ATOM 349 CA PRO A 24 -2.511 23.597 -1.574 1.00 1.33 C ATOM 350 C PRO A 24 -3.744 24.079 -2.329 1.00 0.42 C ATOM 351 O PRO A 24 -4.743 24.468 -1.725 1.00 21.20 O ATOM 352 CB PRO A 24 -2.610 22.095 -1.295 1.00 42.41 C ATOM 353 CG PRO A 24 -3.179 22.001 0.079 1.00 13.41 C ATOM 354 CD PRO A 24 -2.652 23.194 0.827 1.00 22.44 C ATOM 0 HA PRO A 24 -1.665 23.873 -2.204 1.00 1.33 H new ATOM 0 HB2 PRO A 24 -3.251 21.599 -2.024 1.00 42.41 H new ATOM 0 HB3 PRO A 24 -1.632 21.617 -1.352 1.00 42.41 H new ATOM 0 HG2 PRO A 24 -4.269 22.008 0.052 1.00 13.41 H new ATOM 0 HG3 PRO A 24 -2.878 21.072 0.564 1.00 13.41 H new ATOM 0 HD2 PRO A 24 -3.371 23.558 1.561 1.00 22.44 H new ATOM 0 HD3 PRO A 24 -1.737 22.956 1.369 1.00 22.44 H new ATOM 362 N ARG A 25 -3.667 24.054 -3.657 1.00 41.50 N ATOM 363 CA ARG A 25 -4.776 24.489 -4.496 1.00 11.30 C ATOM 364 C ARG A 25 -5.035 25.983 -4.321 1.00 42.24 C ATOM 365 O ARG A 25 -6.124 26.473 -4.620 1.00 30.50 O ATOM 366 CB ARG A 25 -6.042 23.698 -4.157 1.00 71.35 C ATOM 367 CG ARG A 25 -5.804 22.204 -4.012 1.00 24.20 C ATOM 368 CD ARG A 25 -7.071 21.478 -3.585 1.00 13.12 C ATOM 369 NE ARG A 25 -7.347 21.651 -2.161 1.00 61.42 N ATOM 370 CZ ARG A 25 -8.289 20.980 -1.508 1.00 63.21 C ATOM 371 NH1 ARG A 25 -9.042 20.096 -2.149 1.00 60.40 N1+ ATOM 372 NH2 ARG A 25 -8.481 21.193 -0.212 1.00 31.52 N ATOM 0 H ARG A 25 -2.847 23.737 -4.174 1.00 41.50 H new ATOM 0 HA ARG A 25 -4.507 24.303 -5.536 1.00 11.30 H new ATOM 0 HB2 ARG A 25 -6.463 24.082 -3.228 1.00 71.35 H new ATOM 0 HB3 ARG A 25 -6.785 23.865 -4.937 1.00 71.35 H new ATOM 0 HG2 ARG A 25 -5.451 21.797 -4.960 1.00 24.20 H new ATOM 0 HG3 ARG A 25 -5.018 22.029 -3.278 1.00 24.20 H new ATOM 0 HD2 ARG A 25 -7.915 21.850 -4.166 1.00 13.12 H new ATOM 0 HD3 ARG A 25 -6.973 20.416 -3.809 1.00 13.12 H new ATOM 0 HE ARG A 25 -6.785 22.324 -1.640 1.00 61.42 H new ATOM 0 HH11 ARG A 25 -8.898 19.931 -3.145 1.00 60.40 H new ATOM 0 HH12 ARG A 25 -9.765 19.582 -1.646 1.00 60.40 H new ATOM 0 HH21 ARG A 25 -7.905 21.873 0.284 1.00 31.52 H new ATOM 0 HH22 ARG A 25 -9.205 20.677 0.288 1.00 31.52 H new ATOM 386 N ARG A 26 -4.028 26.699 -3.835 1.00 23.54 N ATOM 387 CA ARG A 26 -4.148 28.137 -3.618 1.00 14.21 C ATOM 388 C ARG A 26 -3.251 28.908 -4.582 1.00 22.51 C ATOM 389 O ARG A 26 -2.219 28.402 -5.026 1.00 34.12 O ATOM 390 CB ARG A 26 -3.783 28.489 -2.175 1.00 32.13 C ATOM 391 CG ARG A 26 -4.793 29.402 -1.498 1.00 14.42 C ATOM 392 CD ARG A 26 -4.114 30.594 -0.843 1.00 12.23 C ATOM 393 NE ARG A 26 -5.048 31.692 -0.601 1.00 53.14 N ATOM 394 CZ ARG A 26 -4.827 32.664 0.278 1.00 71.13 C ATOM 395 NH1 ARG A 26 -3.713 32.675 0.993 1.00 44.20 N1+ ATOM 396 NH2 ARG A 26 -5.726 33.627 0.440 1.00 33.14 N ATOM 0 H ARG A 26 -3.120 26.309 -3.584 1.00 23.54 H new ATOM 0 HA ARG A 26 -5.184 28.422 -3.804 1.00 14.21 H new ATOM 0 HB2 ARG A 26 -3.692 27.569 -1.597 1.00 32.13 H new ATOM 0 HB3 ARG A 26 -2.805 28.970 -2.163 1.00 32.13 H new ATOM 0 HG2 ARG A 26 -5.518 29.753 -2.233 1.00 14.42 H new ATOM 0 HG3 ARG A 26 -5.347 28.840 -0.747 1.00 14.42 H new ATOM 0 HD2 ARG A 26 -3.668 30.283 0.102 1.00 12.23 H new ATOM 0 HD3 ARG A 26 -3.301 30.943 -1.480 1.00 12.23 H new ATOM 0 HE ARG A 26 -5.916 31.713 -1.136 1.00 53.14 H new ATOM 0 HH11 ARG A 26 -3.021 31.936 0.870 1.00 44.20 H new ATOM 0 HH12 ARG A 26 -3.547 33.423 1.667 1.00 44.20 H new ATOM 0 HH21 ARG A 26 -6.585 33.620 -0.110 1.00 33.14 H new ATOM 0 HH22 ARG A 26 -5.558 34.374 1.114 1.00 33.14 H new ATOM 410 N ARG A 27 -3.652 30.134 -4.904 1.00 50.31 N ATOM 411 CA ARG A 27 -2.886 30.974 -5.815 1.00 40.43 C ATOM 412 C ARG A 27 -1.562 31.399 -5.183 1.00 64.30 C ATOM 413 O ARG A 27 -1.543 32.074 -4.153 1.00 33.14 O ATOM 414 CB ARG A 27 -3.696 32.211 -6.207 1.00 5.30 C ATOM 415 CG ARG A 27 -2.889 33.256 -6.959 1.00 61.13 C ATOM 416 CD ARG A 27 -3.787 34.321 -7.569 1.00 24.42 C ATOM 417 NE ARG A 27 -3.071 35.154 -8.531 1.00 40.41 N ATOM 418 CZ ARG A 27 -3.597 36.231 -9.105 1.00 44.13 C ATOM 419 NH1 ARG A 27 -4.835 36.605 -8.812 1.00 21.21 N1+ ATOM 420 NH2 ARG A 27 -2.882 36.939 -9.970 1.00 21.32 N ATOM 0 H ARG A 27 -4.504 30.567 -4.547 1.00 50.31 H new ATOM 0 HA ARG A 27 -2.670 30.391 -6.710 1.00 40.43 H new ATOM 0 HB2 ARG A 27 -4.539 31.902 -6.825 1.00 5.30 H new ATOM 0 HB3 ARG A 27 -4.110 32.664 -5.306 1.00 5.30 H new ATOM 0 HG2 ARG A 27 -2.176 33.725 -6.280 1.00 61.13 H new ATOM 0 HG3 ARG A 27 -2.310 32.773 -7.746 1.00 61.13 H new ATOM 0 HD2 ARG A 27 -4.633 33.843 -8.062 1.00 24.42 H new ATOM 0 HD3 ARG A 27 -4.194 34.950 -6.777 1.00 24.42 H new ATOM 0 HE ARG A 27 -2.115 34.895 -8.776 1.00 40.41 H new ATOM 0 HH11 ARG A 27 -5.386 36.066 -8.144 1.00 21.21 H new ATOM 0 HH12 ARG A 27 -5.236 37.432 -9.254 1.00 21.21 H new ATOM 0 HH21 ARG A 27 -1.928 36.657 -10.195 1.00 21.32 H new ATOM 0 HH22 ARG A 27 -3.286 37.765 -10.410 1.00 21.32 H new ATOM 434 N CYS A 28 -0.459 30.998 -5.807 1.00 43.33 N ATOM 435 CA CYS A 28 0.868 31.336 -5.306 1.00 31.31 C ATOM 436 C CYS A 28 1.710 31.992 -6.396 1.00 63.13 C ATOM 437 O CYS A 28 1.321 32.019 -7.564 1.00 50.44 O ATOM 438 CB CYS A 28 1.573 30.081 -4.787 1.00 52.41 C ATOM 439 SG CYS A 28 1.694 28.736 -6.010 1.00 5.44 S ATOM 0 H CYS A 28 -0.458 30.439 -6.660 1.00 43.33 H new ATOM 0 HA CYS A 28 0.751 32.045 -4.486 1.00 31.31 H new ATOM 0 HB2 CYS A 28 2.577 30.351 -4.459 1.00 52.41 H new ATOM 0 HB3 CYS A 28 1.039 29.714 -3.911 1.00 52.41 H new ATOM 444 N THR A 29 2.864 32.524 -6.004 1.00 73.01 N ATOM 445 CA THR A 29 3.761 33.181 -6.945 1.00 32.12 C ATOM 446 C THR A 29 5.108 32.472 -7.010 1.00 33.55 C ATOM 447 O THR A 29 5.781 32.490 -8.040 1.00 51.13 O ATOM 448 CB THR A 29 3.988 34.657 -6.568 1.00 20.25 C ATOM 449 OG1 THR A 29 4.839 34.743 -5.420 1.00 30.25 O ATOM 450 CG2 THR A 29 2.666 35.352 -6.279 1.00 44.55 C ATOM 0 H THR A 29 3.199 32.512 -5.041 1.00 73.01 H new ATOM 0 HA THR A 29 3.282 33.133 -7.923 1.00 32.12 H new ATOM 0 HB THR A 29 4.465 35.156 -7.412 1.00 20.25 H new ATOM 0 HG1 THR A 29 4.507 34.142 -4.721 1.00 30.25 H new ATOM 0 HG21 THR A 29 2.852 36.393 -6.015 1.00 44.55 H new ATOM 0 HG22 THR A 29 2.032 35.310 -7.164 1.00 44.55 H new ATOM 0 HG23 THR A 29 2.165 34.852 -5.450 1.00 44.55 H new ATOM 458 N SER A 30 5.495 31.847 -5.903 1.00 63.54 N ATOM 459 CA SER A 30 6.765 31.133 -5.833 1.00 12.44 C ATOM 460 C SER A 30 6.584 29.766 -5.180 1.00 32.23 C ATOM 461 O SER A 30 5.886 29.634 -4.175 1.00 42.24 O ATOM 462 CB SER A 30 7.793 31.951 -5.051 1.00 1.42 C ATOM 463 OG SER A 30 7.673 33.334 -5.344 1.00 24.25 O ATOM 0 H SER A 30 4.948 31.820 -5.043 1.00 63.54 H new ATOM 0 HA SER A 30 7.127 30.986 -6.851 1.00 12.44 H new ATOM 0 HB2 SER A 30 7.655 31.789 -3.982 1.00 1.42 H new ATOM 0 HB3 SER A 30 8.798 31.609 -5.298 1.00 1.42 H new ATOM 0 HG SER A 30 8.340 33.836 -4.831 1.00 24.25 H new ATOM 469 N ALA A 31 7.217 28.751 -5.759 1.00 62.45 N ATOM 470 CA ALA A 31 7.129 27.395 -5.233 1.00 32.30 C ATOM 471 C ALA A 31 7.545 27.346 -3.767 1.00 10.12 C ATOM 472 O ALA A 31 6.981 26.587 -2.977 1.00 65.45 O ATOM 473 CB ALA A 31 7.991 26.452 -6.059 1.00 44.20 C ATOM 0 H ALA A 31 7.797 28.843 -6.593 1.00 62.45 H new ATOM 0 HA ALA A 31 6.090 27.073 -5.300 1.00 32.30 H new ATOM 0 HB1 ALA A 31 7.916 25.442 -5.655 1.00 44.20 H new ATOM 0 HB2 ALA A 31 7.646 26.456 -7.093 1.00 44.20 H new ATOM 0 HB3 ALA A 31 9.029 26.781 -6.022 1.00 44.20 H new ATOM 479 N ASP A 32 8.533 28.158 -3.410 1.00 12.20 N ATOM 480 CA ASP A 32 9.024 28.209 -2.037 1.00 73.45 C ATOM 481 C ASP A 32 7.880 28.464 -1.061 1.00 71.20 C ATOM 482 O ASP A 32 7.867 27.928 0.046 1.00 64.22 O ATOM 483 CB ASP A 32 10.087 29.297 -1.893 1.00 74.03 C ATOM 484 CG ASP A 32 10.888 29.158 -0.612 1.00 11.45 C ATOM 485 OD1 ASP A 32 10.983 28.028 -0.092 1.00 52.31 O ATOM 486 OD2 ASP A 32 11.420 30.182 -0.133 1.00 51.42 O1- ATOM 0 H ASP A 32 9.010 28.791 -4.052 1.00 12.20 H new ATOM 0 HA ASP A 32 9.471 27.243 -1.800 1.00 73.45 H new ATOM 0 HB2 ASP A 32 10.763 29.256 -2.747 1.00 74.03 H new ATOM 0 HB3 ASP A 32 9.607 30.275 -1.913 1.00 74.03 H new ATOM 491 N GLN A 33 6.925 29.288 -1.479 1.00 13.05 N ATOM 492 CA GLN A 33 5.779 29.615 -0.640 1.00 61.53 C ATOM 493 C GLN A 33 4.848 28.414 -0.494 1.00 21.20 C ATOM 494 O GLN A 33 4.306 28.163 0.583 1.00 62.33 O ATOM 495 CB GLN A 33 5.010 30.800 -1.227 1.00 1.33 C ATOM 496 CG GLN A 33 5.890 32.005 -1.527 1.00 24.41 C ATOM 497 CD GLN A 33 5.095 33.194 -2.032 1.00 55.02 C ATOM 498 OE1 GLN A 33 4.177 32.944 -2.958 1.00 20.05 O flip ATOM 499 NE2 GLN A 33 5.305 34.326 -1.594 1.00 41.24 N flip ATOM 0 H GLN A 33 6.922 29.741 -2.393 1.00 13.05 H new ATOM 0 HA GLN A 33 6.152 29.885 0.348 1.00 61.53 H new ATOM 0 HB2 GLN A 33 4.516 30.483 -2.145 1.00 1.33 H new ATOM 0 HB3 GLN A 33 4.227 31.096 -0.529 1.00 1.33 H new ATOM 0 HG2 GLN A 33 6.430 32.290 -0.624 1.00 24.41 H new ATOM 0 HG3 GLN A 33 6.637 31.729 -2.271 1.00 24.41 H new ATOM 0 HE21 GLN A 33 6.021 34.473 -0.882 1.00 41.24 H new ATOM 0 HE22 GLN A 33 4.763 35.117 -1.943 1.00 41.24 H new ATOM 508 N CYS A 34 4.669 27.677 -1.584 1.00 20.44 N ATOM 509 CA CYS A 34 3.805 26.502 -1.579 1.00 42.12 C ATOM 510 C CYS A 34 4.220 25.525 -0.484 1.00 14.23 C ATOM 511 O CYS A 34 5.377 25.108 -0.414 1.00 24.15 O ATOM 512 CB CYS A 34 3.847 25.807 -2.941 1.00 20.31 C ATOM 513 SG CYS A 34 2.991 24.200 -2.982 1.00 43.23 S ATOM 0 H CYS A 34 5.110 27.872 -2.483 1.00 20.44 H new ATOM 0 HA CYS A 34 2.786 26.833 -1.378 1.00 42.12 H new ATOM 0 HB2 CYS A 34 3.399 26.464 -3.686 1.00 20.31 H new ATOM 0 HB3 CYS A 34 4.888 25.660 -3.230 1.00 20.31 H new ATOM 518 N CYS A 35 3.269 25.165 0.372 1.00 63.44 N ATOM 519 CA CYS A 35 3.535 24.236 1.465 1.00 62.12 C ATOM 520 C CYS A 35 4.215 22.972 0.951 1.00 75.41 C ATOM 521 O CYS A 35 3.710 22.305 0.047 1.00 52.33 O ATOM 522 CB CYS A 35 2.232 23.874 2.180 1.00 15.41 C ATOM 523 SG CYS A 35 1.395 25.289 2.965 1.00 54.35 S ATOM 0 H CYS A 35 2.307 25.502 0.330 1.00 63.44 H new ATOM 0 HA CYS A 35 4.206 24.725 2.171 1.00 62.12 H new ATOM 0 HB2 CYS A 35 1.552 23.416 1.462 1.00 15.41 H new ATOM 0 HB3 CYS A 35 2.445 23.124 2.941 1.00 15.41 H new ATOM 528 N ARG A 36 5.364 22.646 1.534 1.00 74.42 N ATOM 529 CA ARG A 36 6.115 21.462 1.135 1.00 31.31 C ATOM 530 C ARG A 36 5.425 20.191 1.622 1.00 11.50 C ATOM 531 O ARG A 36 4.603 20.213 2.539 1.00 64.44 O ATOM 532 CB ARG A 36 7.539 21.524 1.689 1.00 74.21 C ATOM 533 CG ARG A 36 8.533 22.180 0.743 1.00 33.43 C ATOM 534 CD ARG A 36 9.902 22.325 1.387 1.00 52.41 C ATOM 535 NE ARG A 36 10.786 23.188 0.606 1.00 64.13 N ATOM 536 CZ ARG A 36 12.104 23.225 0.764 1.00 24.21 C ATOM 537 NH1 ARG A 36 12.689 22.452 1.667 1.00 61.22 N1+ ATOM 538 NH2 ARG A 36 12.839 24.038 0.015 1.00 13.25 N ATOM 0 H ARG A 36 5.795 23.186 2.285 1.00 74.42 H new ATOM 0 HA ARG A 36 6.156 21.439 0.046 1.00 31.31 H new ATOM 0 HB2 ARG A 36 7.530 22.073 2.631 1.00 74.21 H new ATOM 0 HB3 ARG A 36 7.877 20.512 1.913 1.00 74.21 H new ATOM 0 HG2 ARG A 36 8.619 21.585 -0.166 1.00 33.43 H new ATOM 0 HG3 ARG A 36 8.163 23.162 0.448 1.00 33.43 H new ATOM 0 HD2 ARG A 36 9.789 22.735 2.391 1.00 52.41 H new ATOM 0 HD3 ARG A 36 10.358 21.341 1.494 1.00 52.41 H new ATOM 0 HE ARG A 36 10.368 23.795 -0.099 1.00 64.13 H new ATOM 0 HH11 ARG A 36 12.127 21.826 2.243 1.00 61.22 H new ATOM 0 HH12 ARG A 36 13.702 22.483 1.786 1.00 61.22 H new ATOM 0 HH21 ARG A 36 12.391 24.634 -0.681 1.00 13.25 H new ATOM 0 HH22 ARG A 36 13.851 24.067 0.136 1.00 13.25 H new ATOM 552 N PRO A 37 5.763 19.055 0.993 1.00 2.54 N ATOM 553 CA PRO A 37 5.187 17.754 1.345 1.00 73.11 C ATOM 554 C PRO A 37 5.663 17.257 2.705 1.00 25.00 C ATOM 555 O PRO A 37 6.766 17.584 3.146 1.00 22.30 O ATOM 556 CB PRO A 37 5.692 16.830 0.232 1.00 11.35 C ATOM 557 CG PRO A 37 6.946 17.472 -0.253 1.00 4.20 C ATOM 558 CD PRO A 37 6.735 18.954 -0.109 1.00 42.10 C ATOM 0 HA PRO A 37 4.101 17.798 1.423 1.00 73.11 H new ATOM 0 HB2 PRO A 37 5.882 15.825 0.608 1.00 11.35 H new ATOM 0 HB3 PRO A 37 4.959 16.738 -0.569 1.00 11.35 H new ATOM 0 HG2 PRO A 37 7.805 17.142 0.331 1.00 4.20 H new ATOM 0 HG3 PRO A 37 7.145 17.205 -1.291 1.00 4.20 H new ATOM 0 HD2 PRO A 37 7.665 19.471 0.127 1.00 42.10 H new ATOM 0 HD3 PRO A 37 6.349 19.396 -1.027 1.00 42.10 H new ATOM 566 N TYR A 38 4.825 16.468 3.368 1.00 62.25 N ATOM 567 CA TYR A 38 5.161 15.928 4.680 1.00 14.44 C ATOM 568 C TYR A 38 6.488 15.177 4.638 1.00 34.42 C ATOM 569 O TYR A 38 7.184 15.065 5.647 1.00 11.41 O ATOM 570 CB TYR A 38 4.050 14.998 5.170 1.00 22.13 C ATOM 571 CG TYR A 38 4.056 14.784 6.668 1.00 14.52 C ATOM 572 CD1 TYR A 38 5.012 13.976 7.271 1.00 30.11 C ATOM 573 CD2 TYR A 38 3.105 15.390 7.480 1.00 41.20 C ATOM 574 CE1 TYR A 38 5.021 13.779 8.638 1.00 14.55 C ATOM 575 CE2 TYR A 38 3.107 15.198 8.848 1.00 22.03 C ATOM 576 CZ TYR A 38 4.067 14.393 9.422 1.00 53.42 C ATOM 577 OH TYR A 38 4.072 14.197 10.784 1.00 22.44 O ATOM 0 H TYR A 38 3.908 16.188 3.019 1.00 62.25 H new ATOM 0 HA TYR A 38 5.260 16.763 5.374 1.00 14.44 H new ATOM 0 HB2 TYR A 38 3.085 15.411 4.874 1.00 22.13 H new ATOM 0 HB3 TYR A 38 4.150 14.033 4.673 1.00 22.13 H new ATOM 0 HD1 TYR A 38 5.761 13.494 6.660 1.00 30.11 H new ATOM 0 HD2 TYR A 38 2.351 16.022 7.034 1.00 41.20 H new ATOM 0 HE1 TYR A 38 5.771 13.147 9.091 1.00 14.55 H new ATOM 0 HE2 TYR A 38 2.360 15.676 9.464 1.00 22.03 H new ATOM 0 HH TYR A 38 3.336 14.701 11.190 1.00 22.44 H new ATOM 587 N ASP A 39 6.831 14.663 3.462 1.00 32.30 N ATOM 588 CA ASP A 39 8.076 13.924 3.286 1.00 33.55 C ATOM 589 C ASP A 39 8.655 14.157 1.894 1.00 15.11 C ATOM 590 O ASP A 39 8.135 13.650 0.900 1.00 13.04 O ATOM 591 CB ASP A 39 7.842 12.430 3.509 1.00 24.25 C ATOM 592 CG ASP A 39 7.985 12.032 4.965 1.00 54.15 C ATOM 593 OD1 ASP A 39 9.109 12.134 5.500 1.00 23.30 O1- ATOM 594 OD2 ASP A 39 6.974 11.616 5.570 1.00 4.51 O ATOM 0 H ASP A 39 6.265 14.744 2.617 1.00 32.30 H new ATOM 0 HA ASP A 39 8.792 14.287 4.023 1.00 33.55 H new ATOM 0 HB2 ASP A 39 6.844 12.166 3.160 1.00 24.25 H new ATOM 0 HB3 ASP A 39 8.551 11.861 2.908 1.00 24.25 H new ATOM 599 N THR A 40 9.734 14.931 1.829 1.00 42.33 N ATOM 600 CA THR A 40 10.383 15.234 0.560 1.00 51.22 C ATOM 601 C THR A 40 10.836 13.962 -0.145 1.00 5.24 C ATOM 602 O THR A 40 11.000 13.939 -1.365 1.00 55.42 O ATOM 603 CB THR A 40 11.598 16.159 0.757 1.00 52.44 C ATOM 604 OG1 THR A 40 12.181 15.936 2.046 1.00 3.03 O ATOM 605 CG2 THR A 40 11.196 17.620 0.623 1.00 32.04 C ATOM 0 H THR A 40 10.177 15.360 2.642 1.00 42.33 H new ATOM 0 HA THR A 40 9.644 15.744 -0.058 1.00 51.22 H new ATOM 0 HB THR A 40 12.330 15.928 -0.017 1.00 52.44 H new ATOM 0 HG1 THR A 40 12.954 16.527 2.162 1.00 3.03 H new ATOM 0 HG21 THR A 40 12.072 18.253 0.766 1.00 32.04 H new ATOM 0 HG22 THR A 40 10.781 17.794 -0.370 1.00 32.04 H new ATOM 0 HG23 THR A 40 10.446 17.862 1.377 1.00 32.04 H new ATOM 613 N THR A 41 11.035 12.900 0.631 1.00 61.40 N ATOM 614 CA THR A 41 11.469 11.622 0.081 1.00 21.31 C ATOM 615 C THR A 41 10.290 10.835 -0.480 1.00 74.10 C ATOM 616 O THR A 41 10.469 9.785 -1.095 1.00 32.32 O ATOM 617 CB THR A 41 12.184 10.767 1.144 1.00 11.20 C ATOM 618 OG1 THR A 41 12.641 9.541 0.562 1.00 50.03 O ATOM 619 CG2 THR A 41 11.254 10.464 2.309 1.00 40.10 C ATOM 0 H THR A 41 10.902 12.901 1.642 1.00 61.40 H new ATOM 0 HA THR A 41 12.168 11.846 -0.725 1.00 21.31 H new ATOM 0 HB THR A 41 13.038 11.332 1.517 1.00 11.20 H new ATOM 0 HG1 THR A 41 12.073 9.310 -0.202 1.00 50.03 H new ATOM 0 HG21 THR A 41 11.781 9.859 3.047 1.00 40.10 H new ATOM 0 HG22 THR A 41 10.931 11.398 2.769 1.00 40.10 H new ATOM 0 HG23 THR A 41 10.383 9.918 1.947 1.00 40.10 H new ATOM 627 N ALA A 42 9.085 11.350 -0.263 1.00 33.42 N ATOM 628 CA ALA A 42 7.876 10.697 -0.748 1.00 33.24 C ATOM 629 C ALA A 42 7.149 11.572 -1.765 1.00 22.22 C ATOM 630 O ALA A 42 6.418 11.072 -2.620 1.00 41.33 O ATOM 631 CB ALA A 42 6.955 10.357 0.414 1.00 72.43 C ATOM 0 H ALA A 42 8.920 12.218 0.246 1.00 33.42 H new ATOM 0 HA ALA A 42 8.168 9.773 -1.246 1.00 33.24 H new ATOM 0 HB1 ALA A 42 6.056 9.870 0.036 1.00 72.43 H new ATOM 0 HB2 ALA A 42 7.469 9.686 1.102 1.00 72.43 H new ATOM 0 HB3 ALA A 42 6.678 11.272 0.939 1.00 72.43 H new ATOM 637 N ALA A 43 7.354 12.882 -1.665 1.00 12.24 N ATOM 638 CA ALA A 43 6.719 13.825 -2.576 1.00 72.33 C ATOM 639 C ALA A 43 7.542 15.103 -2.704 1.00 51.10 C ATOM 640 O ALA A 43 8.553 15.273 -2.022 1.00 33.12 O ATOM 641 CB ALA A 43 5.310 14.150 -2.103 1.00 43.44 C ATOM 0 H ALA A 43 7.955 13.313 -0.962 1.00 12.24 H new ATOM 0 HA ALA A 43 6.662 13.359 -3.560 1.00 72.33 H new ATOM 0 HB1 ALA A 43 4.848 14.856 -2.793 1.00 43.44 H new ATOM 0 HB2 ALA A 43 4.718 13.236 -2.069 1.00 43.44 H new ATOM 0 HB3 ALA A 43 5.353 14.592 -1.108 1.00 43.44 H new ATOM 647 N PHE A 44 7.106 15.998 -3.584 1.00 14.41 N ATOM 648 CA PHE A 44 7.803 17.259 -3.803 1.00 61.30 C ATOM 649 C PHE A 44 6.826 18.431 -3.794 1.00 33.54 C ATOM 650 O PHE A 44 5.619 18.246 -3.625 1.00 25.14 O ATOM 651 CB PHE A 44 8.563 17.223 -5.131 1.00 4.30 C ATOM 652 CG PHE A 44 7.691 16.897 -6.310 1.00 44.33 C ATOM 653 CD1 PHE A 44 7.394 15.581 -6.625 1.00 14.45 C ATOM 654 CD2 PHE A 44 7.172 17.906 -7.103 1.00 25.23 C ATOM 655 CE1 PHE A 44 6.593 15.278 -7.710 1.00 52.44 C ATOM 656 CE2 PHE A 44 6.370 17.609 -8.190 1.00 31.10 C ATOM 657 CZ PHE A 44 6.081 16.293 -8.494 1.00 44.43 C ATOM 0 H PHE A 44 6.272 15.873 -4.158 1.00 14.41 H new ATOM 0 HA PHE A 44 8.515 17.397 -2.989 1.00 61.30 H new ATOM 0 HB2 PHE A 44 9.037 18.191 -5.296 1.00 4.30 H new ATOM 0 HB3 PHE A 44 9.362 16.484 -5.064 1.00 4.30 H new ATOM 0 HD1 PHE A 44 7.793 14.783 -6.016 1.00 14.45 H new ATOM 0 HD2 PHE A 44 7.396 18.937 -6.870 1.00 25.23 H new ATOM 0 HE1 PHE A 44 6.368 14.248 -7.944 1.00 52.44 H new ATOM 0 HE2 PHE A 44 5.970 18.405 -8.800 1.00 31.10 H new ATOM 0 HZ PHE A 44 5.456 16.058 -9.343 1.00 44.43 H new ATOM 667 N HIS A 45 7.353 19.636 -3.979 1.00 30.01 N ATOM 668 CA HIS A 45 6.528 20.839 -3.994 1.00 13.52 C ATOM 669 C HIS A 45 6.765 21.645 -5.268 1.00 32.25 C ATOM 670 O HIS A 45 7.698 21.374 -6.020 1.00 34.05 O ATOM 671 CB HIS A 45 6.824 21.701 -2.767 1.00 41.02 C ATOM 672 CG HIS A 45 8.109 22.464 -2.867 1.00 44.22 C ATOM 673 ND1 HIS A 45 9.335 21.917 -2.552 1.00 74.21 N ATOM 674 CD2 HIS A 45 8.355 23.737 -3.252 1.00 33.33 C ATOM 675 CE1 HIS A 45 10.279 22.823 -2.736 1.00 71.35 C ATOM 676 NE2 HIS A 45 9.711 23.937 -3.162 1.00 4.31 N ATOM 0 H HIS A 45 8.349 19.806 -4.121 1.00 30.01 H new ATOM 0 HA HIS A 45 5.482 20.533 -3.969 1.00 13.52 H new ATOM 0 HB2 HIS A 45 6.004 22.404 -2.621 1.00 41.02 H new ATOM 0 HB3 HIS A 45 6.858 21.063 -1.884 1.00 41.02 H new ATOM 0 HD2 HIS A 45 7.621 24.462 -3.571 1.00 33.33 H new ATOM 0 HE1 HIS A 45 11.336 22.677 -2.567 1.00 71.35 H new ATOM 0 HE2 HIS A 45 10.199 24.804 -3.387 1.00 4.31 H new ATOM 684 N GLY A 46 5.912 22.638 -5.501 1.00 15.53 N ATOM 685 CA GLY A 46 6.046 23.468 -6.684 1.00 51.15 C ATOM 686 C GLY A 46 4.782 24.247 -6.992 1.00 30.33 C ATOM 687 O GLY A 46 3.692 23.874 -6.556 1.00 1.11 O ATOM 0 H GLY A 46 5.131 22.882 -4.892 1.00 15.53 H new ATOM 0 HA2 GLY A 46 6.873 24.164 -6.544 1.00 51.15 H new ATOM 0 HA3 GLY A 46 6.299 22.840 -7.538 1.00 51.15 H new ATOM 691 N CYS A 47 4.927 25.334 -7.742 1.00 73.31 N ATOM 692 CA CYS A 47 3.790 26.169 -8.107 1.00 12.40 C ATOM 693 C CYS A 47 3.516 26.093 -9.605 1.00 61.22 C ATOM 694 O CYS A 47 4.377 26.420 -10.422 1.00 61.52 O ATOM 695 CB CYS A 47 4.045 27.621 -7.697 1.00 0.44 C ATOM 696 SG CYS A 47 3.552 28.009 -5.987 1.00 52.01 S ATOM 0 H CYS A 47 5.822 25.657 -8.109 1.00 73.31 H new ATOM 0 HA CYS A 47 2.913 25.797 -7.577 1.00 12.40 H new ATOM 0 HB2 CYS A 47 5.106 27.840 -7.816 1.00 0.44 H new ATOM 0 HB3 CYS A 47 3.505 28.280 -8.378 1.00 0.44 H new ATOM 701 N GLY A 48 2.311 25.658 -9.961 1.00 51.40 N ATOM 702 CA GLY A 48 1.944 25.546 -11.361 1.00 22.12 C ATOM 703 C GLY A 48 0.475 25.226 -11.552 1.00 74.05 C ATOM 704 O GLY A 48 -0.366 25.645 -10.758 1.00 74.34 O ATOM 0 H GLY A 48 1.582 25.381 -9.304 1.00 51.40 H new ATOM 0 HA2 GLY A 48 2.178 26.481 -11.871 1.00 22.12 H new ATOM 0 HA3 GLY A 48 2.546 24.768 -11.830 1.00 22.12 H new ATOM 708 N ARG A 49 0.167 24.482 -12.610 1.00 34.44 N ATOM 709 CA ARG A 49 -1.212 24.109 -12.905 1.00 43.42 C ATOM 710 C ARG A 49 -1.291 22.664 -13.392 1.00 72.42 C ATOM 711 O ARG A 49 -0.984 22.372 -14.548 1.00 32.25 O ATOM 712 CB ARG A 49 -1.802 25.047 -13.958 1.00 63.11 C ATOM 713 CG ARG A 49 -1.717 26.518 -13.581 1.00 51.12 C ATOM 714 CD ARG A 49 -2.356 27.402 -14.638 1.00 22.53 C ATOM 715 NE ARG A 49 -1.829 27.128 -15.972 1.00 64.14 N ATOM 716 CZ ARG A 49 -0.630 27.526 -16.384 1.00 64.40 C ATOM 717 NH1 ARG A 49 0.161 28.209 -15.569 1.00 71.52 N1+ ATOM 718 NH2 ARG A 49 -0.219 27.239 -17.612 1.00 63.11 N ATOM 0 H ARG A 49 0.853 24.126 -13.276 1.00 34.44 H new ATOM 0 HA ARG A 49 -1.791 24.197 -11.986 1.00 43.42 H new ATOM 0 HB2 ARG A 49 -1.281 24.892 -14.903 1.00 63.11 H new ATOM 0 HB3 ARG A 49 -2.847 24.783 -14.123 1.00 63.11 H new ATOM 0 HG2 ARG A 49 -2.212 26.678 -12.623 1.00 51.12 H new ATOM 0 HG3 ARG A 49 -0.673 26.802 -13.451 1.00 51.12 H new ATOM 0 HD2 ARG A 49 -3.435 27.248 -14.636 1.00 22.53 H new ATOM 0 HD3 ARG A 49 -2.183 28.449 -14.388 1.00 22.53 H new ATOM 0 HE ARG A 49 -2.413 26.603 -16.623 1.00 64.14 H new ATOM 0 HH11 ARG A 49 -0.150 28.430 -14.623 1.00 71.52 H new ATOM 0 HH12 ARG A 49 1.081 28.513 -15.888 1.00 71.52 H new ATOM 0 HH21 ARG A 49 -0.824 26.712 -18.242 1.00 63.11 H new ATOM 0 HH22 ARG A 49 0.702 27.545 -17.926 1.00 63.11 H new ATOM 732 N ILE A 50 -1.704 21.767 -12.503 1.00 45.20 N ATOM 733 CA ILE A 50 -1.823 20.356 -12.845 1.00 24.22 C ATOM 734 C ILE A 50 -3.268 19.987 -13.159 1.00 32.02 C ATOM 735 O ILE A 50 -3.531 19.011 -13.862 1.00 4.22 O ATOM 736 CB ILE A 50 -1.312 19.456 -11.703 1.00 43.24 C ATOM 737 CG1 ILE A 50 -2.005 19.820 -10.388 1.00 33.24 C ATOM 738 CG2 ILE A 50 0.198 19.581 -11.565 1.00 11.30 C ATOM 739 CD1 ILE A 50 -1.792 18.802 -9.290 1.00 33.13 C ATOM 0 H ILE A 50 -1.961 21.992 -11.542 1.00 45.20 H new ATOM 0 HA ILE A 50 -1.208 20.192 -13.730 1.00 24.22 H new ATOM 0 HB ILE A 50 -1.551 18.420 -11.943 1.00 43.24 H new ATOM 0 HG12 ILE A 50 -1.638 20.789 -10.050 1.00 33.24 H new ATOM 0 HG13 ILE A 50 -3.074 19.929 -10.568 1.00 33.24 H new ATOM 0 HG21 ILE A 50 0.544 18.939 -10.754 1.00 11.30 H new ATOM 0 HG22 ILE A 50 0.675 19.277 -12.497 1.00 11.30 H new ATOM 0 HG23 ILE A 50 0.459 20.616 -11.345 1.00 11.30 H new ATOM 0 HD11 ILE A 50 -2.312 19.126 -8.388 1.00 33.13 H new ATOM 0 HD12 ILE A 50 -2.185 17.836 -9.608 1.00 33.13 H new ATOM 0 HD13 ILE A 50 -0.726 18.710 -9.081 1.00 33.13 H new ATOM 751 N TRP A 51 -4.201 20.773 -12.635 1.00 65.10 N ATOM 752 CA TRP A 51 -5.622 20.530 -12.862 1.00 64.31 C ATOM 753 C TRP A 51 -6.177 21.491 -13.907 1.00 21.13 C ATOM 754 O TRP A 51 -5.645 22.578 -14.132 1.00 63.40 O ATOM 755 CB TRP A 51 -6.399 20.675 -11.553 1.00 25.32 C ATOM 756 CG TRP A 51 -6.129 19.571 -10.575 1.00 35.44 C ATOM 757 CD1 TRP A 51 -5.558 19.692 -9.341 1.00 65.11 C ATOM 758 CD2 TRP A 51 -6.414 18.179 -10.753 1.00 50.02 C ATOM 759 NE1 TRP A 51 -5.472 18.458 -8.740 1.00 72.11 N ATOM 760 CE2 TRP A 51 -5.992 17.514 -9.585 1.00 35.13 C ATOM 761 CE3 TRP A 51 -6.990 17.430 -11.784 1.00 1.24 C ATOM 762 CZ2 TRP A 51 -6.126 16.138 -9.422 1.00 0.23 C ATOM 763 CZ3 TRP A 51 -7.121 16.065 -11.620 1.00 32.24 C ATOM 764 CH2 TRP A 51 -6.691 15.431 -10.447 1.00 32.35 C ATOM 0 H TRP A 51 -4.000 21.584 -12.050 1.00 65.10 H new ATOM 0 HA TRP A 51 -5.738 19.512 -13.234 1.00 64.31 H new ATOM 0 HB2 TRP A 51 -6.144 21.629 -11.092 1.00 25.32 H new ATOM 0 HB3 TRP A 51 -7.466 20.702 -11.774 1.00 25.32 H new ATOM 0 HD1 TRP A 51 -5.223 20.620 -8.901 1.00 65.11 H new ATOM 0 HE1 TRP A 51 -5.084 18.275 -7.815 1.00 72.11 H new ATOM 0 HE3 TRP A 51 -7.326 17.910 -12.691 1.00 1.24 H new ATOM 0 HZ2 TRP A 51 -5.796 15.647 -8.519 1.00 0.23 H new ATOM 0 HZ3 TRP A 51 -7.563 15.476 -12.410 1.00 32.24 H new ATOM 0 HH2 TRP A 51 -6.808 14.362 -10.350 1.00 32.35 H new ATOM 775 N PRO A 52 -7.275 21.084 -14.561 1.00 33.22 N ATOM 776 CA PRO A 52 -7.928 21.895 -15.594 1.00 11.42 C ATOM 777 C PRO A 52 -8.611 23.129 -15.016 1.00 61.34 C ATOM 778 O PRO A 52 -8.918 24.078 -15.738 1.00 42.35 O ATOM 779 CB PRO A 52 -8.965 20.940 -16.192 1.00 73.34 C ATOM 780 CG PRO A 52 -9.251 19.962 -15.105 1.00 72.40 C ATOM 781 CD PRO A 52 -7.965 19.801 -14.344 1.00 33.43 C ATOM 0 HA PRO A 52 -7.214 22.280 -16.322 1.00 11.42 H new ATOM 0 HB2 PRO A 52 -9.867 21.473 -16.492 1.00 73.34 H new ATOM 0 HB3 PRO A 52 -8.578 20.442 -17.081 1.00 73.34 H new ATOM 0 HG2 PRO A 52 -10.047 20.324 -14.454 1.00 72.40 H new ATOM 0 HG3 PRO A 52 -9.584 19.009 -15.515 1.00 72.40 H new ATOM 0 HD2 PRO A 52 -8.146 19.616 -13.285 1.00 33.43 H new ATOM 0 HD3 PRO A 52 -7.379 18.962 -14.719 1.00 33.43 H new ATOM 789 N LYS A 53 -8.847 23.110 -13.707 1.00 42.35 N ATOM 790 CA LYS A 53 -9.493 24.229 -13.031 1.00 54.32 C ATOM 791 C LYS A 53 -8.559 25.432 -12.956 1.00 33.53 C ATOM 792 O LYS A 53 -9.004 26.579 -13.010 1.00 74.30 O ATOM 793 CB LYS A 53 -9.924 23.817 -11.621 1.00 22.44 C ATOM 794 CG LYS A 53 -10.949 22.696 -11.602 1.00 55.12 C ATOM 795 CD LYS A 53 -12.171 23.042 -12.436 1.00 65.22 C ATOM 796 CE LYS A 53 -12.854 24.303 -11.927 1.00 22.10 C ATOM 797 NZ LYS A 53 -14.292 24.347 -12.311 1.00 32.33 N1+ ATOM 0 H LYS A 53 -8.601 22.332 -13.095 1.00 42.35 H new ATOM 0 HA LYS A 53 -10.374 24.511 -13.608 1.00 54.32 H new ATOM 0 HB2 LYS A 53 -9.045 23.504 -11.058 1.00 22.44 H new ATOM 0 HB3 LYS A 53 -10.338 24.685 -11.108 1.00 22.44 H new ATOM 0 HG2 LYS A 53 -10.495 21.781 -11.982 1.00 55.12 H new ATOM 0 HG3 LYS A 53 -11.253 22.498 -10.574 1.00 55.12 H new ATOM 0 HD2 LYS A 53 -11.876 23.181 -13.476 1.00 65.22 H new ATOM 0 HD3 LYS A 53 -12.876 22.211 -12.413 1.00 65.22 H new ATOM 0 HE2 LYS A 53 -12.766 24.351 -10.842 1.00 22.10 H new ATOM 0 HE3 LYS A 53 -12.344 25.179 -12.327 1.00 22.10 H new ATOM 0 HZ1 LYS A 53 -14.507 25.267 -12.745 1.00 32.33 H new ATOM 0 HZ2 LYS A 53 -14.493 23.587 -12.992 1.00 32.33 H new ATOM 0 HZ3 LYS A 53 -14.882 24.217 -11.464 1.00 32.33 H new ATOM 811 N ASP A 54 -7.264 25.165 -12.834 1.00 52.15 N ATOM 812 CA ASP A 54 -6.267 26.225 -12.755 1.00 1.22 C ATOM 813 C ASP A 54 -5.960 26.787 -14.141 1.00 22.44 C ATOM 814 O ASP A 54 -5.603 27.956 -14.284 1.00 3.21 O ATOM 815 CB ASP A 54 -4.984 25.703 -12.106 1.00 23.13 C ATOM 816 CG ASP A 54 -5.225 25.141 -10.720 1.00 24.34 C ATOM 817 OD1 ASP A 54 -5.942 24.123 -10.608 1.00 70.21 O1- ATOM 818 OD2 ASP A 54 -4.695 25.715 -9.747 1.00 52.31 O ATOM 0 H ASP A 54 -6.880 24.221 -12.788 1.00 52.15 H new ATOM 0 HA ASP A 54 -6.674 27.027 -12.139 1.00 1.22 H new ATOM 0 HB2 ASP A 54 -4.549 24.929 -12.738 1.00 23.13 H new ATOM 0 HB3 ASP A 54 -4.256 26.512 -12.046 1.00 23.13 H new ATOM 823 N LYS A 55 -6.099 25.944 -15.159 1.00 0.11 N ATOM 824 CA LYS A 55 -5.836 26.352 -16.534 1.00 71.30 C ATOM 825 C LYS A 55 -6.829 27.420 -16.981 1.00 30.04 C ATOM 826 O LYS A 55 -6.440 28.471 -17.490 1.00 33.44 O ATOM 827 CB LYS A 55 -5.912 25.146 -17.470 1.00 4.34 C ATOM 828 CG LYS A 55 -4.561 24.717 -18.019 1.00 61.13 C ATOM 829 CD LYS A 55 -4.494 23.213 -18.225 1.00 32.24 C ATOM 830 CE LYS A 55 -4.852 22.830 -19.653 1.00 73.20 C ATOM 831 NZ LYS A 55 -3.760 23.167 -20.607 1.00 23.02 N1+ ATOM 0 H LYS A 55 -6.393 24.973 -15.057 1.00 0.11 H new ATOM 0 HA LYS A 55 -4.831 26.772 -16.577 1.00 71.30 H new ATOM 0 HB2 LYS A 55 -6.360 24.309 -16.935 1.00 4.34 H new ATOM 0 HB3 LYS A 55 -6.574 25.384 -18.302 1.00 4.34 H new ATOM 0 HG2 LYS A 55 -4.375 25.223 -18.966 1.00 61.13 H new ATOM 0 HG3 LYS A 55 -3.773 25.026 -17.332 1.00 61.13 H new ATOM 0 HD2 LYS A 55 -3.490 22.857 -17.992 1.00 32.24 H new ATOM 0 HD3 LYS A 55 -5.176 22.719 -17.533 1.00 32.24 H new ATOM 0 HE2 LYS A 55 -5.060 21.761 -19.701 1.00 73.20 H new ATOM 0 HE3 LYS A 55 -5.765 23.346 -19.949 1.00 73.20 H new ATOM 0 HZ1 LYS A 55 -3.931 22.687 -21.514 1.00 23.02 H new ATOM 0 HZ2 LYS A 55 -3.737 24.196 -20.759 1.00 23.02 H new ATOM 0 HZ3 LYS A 55 -2.849 22.854 -20.216 1.00 23.02 H new ATOM 845 N ARG A 56 -8.115 27.144 -16.790 1.00 42.23 N ATOM 846 CA ARG A 56 -9.165 28.080 -17.173 1.00 60.15 C ATOM 847 C ARG A 56 -9.002 29.408 -16.441 1.00 33.12 C ATOM 848 O ARG A 56 -9.462 30.448 -16.913 1.00 23.12 O ATOM 849 CB ARG A 56 -10.543 27.485 -16.877 1.00 63.23 C ATOM 850 CG ARG A 56 -10.927 27.545 -15.406 1.00 4.43 C ATOM 851 CD ARG A 56 -11.766 26.343 -15.002 1.00 71.40 C ATOM 852 NE ARG A 56 -13.190 26.567 -15.236 1.00 11.52 N ATOM 853 CZ ARG A 56 -14.079 25.585 -15.350 1.00 41.21 C ATOM 854 NH1 ARG A 56 -13.692 24.321 -15.252 1.00 51.32 N1+ ATOM 855 NH2 ARG A 56 -15.358 25.868 -15.564 1.00 63.40 N ATOM 0 H ARG A 56 -8.455 26.278 -16.372 1.00 42.23 H new ATOM 0 HA ARG A 56 -9.081 28.263 -18.244 1.00 60.15 H new ATOM 0 HB2 ARG A 56 -11.293 28.017 -17.462 1.00 63.23 H new ATOM 0 HB3 ARG A 56 -10.560 26.446 -17.207 1.00 63.23 H new ATOM 0 HG2 ARG A 56 -10.026 27.583 -14.794 1.00 4.43 H new ATOM 0 HG3 ARG A 56 -11.484 28.461 -15.211 1.00 4.43 H new ATOM 0 HD2 ARG A 56 -11.440 25.468 -15.564 1.00 71.40 H new ATOM 0 HD3 ARG A 56 -11.602 26.124 -13.947 1.00 71.40 H new ATOM 0 HE ARG A 56 -13.520 27.529 -15.316 1.00 11.52 H new ATOM 0 HH11 ARG A 56 -12.710 24.100 -15.089 1.00 51.32 H new ATOM 0 HH12 ARG A 56 -14.376 23.570 -15.340 1.00 51.32 H new ATOM 0 HH21 ARG A 56 -15.659 26.839 -15.641 1.00 63.40 H new ATOM 0 HH22 ARG A 56 -16.039 25.114 -15.651 1.00 63.40 H new ATOM 869 N GLU A 57 -8.347 29.366 -15.286 1.00 1.14 N ATOM 870 CA GLU A 57 -8.126 30.567 -14.489 1.00 73.50 C ATOM 871 C GLU A 57 -6.798 31.224 -14.851 1.00 75.12 C ATOM 872 O GLU A 57 -6.593 32.413 -14.608 1.00 65.11 O ATOM 873 CB GLU A 57 -8.150 30.225 -12.997 1.00 24.12 C ATOM 874 CG GLU A 57 -9.473 29.649 -12.524 1.00 62.23 C ATOM 875 CD GLU A 57 -9.384 29.044 -11.136 1.00 4.11 C ATOM 876 OE1 GLU A 57 -8.424 28.289 -10.879 1.00 34.10 O1- ATOM 877 OE2 GLU A 57 -10.274 29.327 -10.308 1.00 2.34 O ATOM 0 H GLU A 57 -7.960 28.514 -14.881 1.00 1.14 H new ATOM 0 HA GLU A 57 -8.929 31.271 -14.707 1.00 73.50 H new ATOM 0 HB2 GLU A 57 -7.356 29.510 -12.784 1.00 24.12 H new ATOM 0 HB3 GLU A 57 -7.930 31.125 -12.423 1.00 24.12 H new ATOM 0 HG2 GLU A 57 -10.228 30.435 -12.526 1.00 62.23 H new ATOM 0 HG3 GLU A 57 -9.805 28.886 -13.228 1.00 62.23 H new ATOM 884 N LYS A 58 -5.896 30.439 -15.433 1.00 50.53 N ATOM 885 CA LYS A 58 -4.586 30.943 -15.831 1.00 42.02 C ATOM 886 C LYS A 58 -3.830 31.500 -14.629 1.00 73.23 C ATOM 887 O LYS A 58 -3.455 32.671 -14.606 1.00 73.04 O ATOM 888 CB LYS A 58 -4.737 32.029 -16.898 1.00 61.50 C ATOM 889 CG LYS A 58 -5.370 31.531 -18.186 1.00 44.31 C ATOM 890 CD LYS A 58 -4.317 31.111 -19.198 1.00 22.35 C ATOM 891 CE LYS A 58 -3.694 29.772 -18.830 1.00 42.41 C ATOM 892 NZ LYS A 58 -2.911 29.196 -19.957 1.00 3.31 N1+ ATOM 0 H LYS A 58 -6.048 29.452 -15.639 1.00 50.53 H new ATOM 0 HA LYS A 58 -4.015 30.112 -16.245 1.00 42.02 H new ATOM 0 HB2 LYS A 58 -5.343 32.841 -16.495 1.00 61.50 H new ATOM 0 HB3 LYS A 58 -3.755 32.445 -17.123 1.00 61.50 H new ATOM 0 HG2 LYS A 58 -6.024 30.687 -17.968 1.00 44.31 H new ATOM 0 HG3 LYS A 58 -5.994 32.316 -18.613 1.00 44.31 H new ATOM 0 HD2 LYS A 58 -4.768 31.044 -20.188 1.00 22.35 H new ATOM 0 HD3 LYS A 58 -3.539 31.873 -19.253 1.00 22.35 H new ATOM 0 HE2 LYS A 58 -3.044 29.900 -17.964 1.00 42.41 H new ATOM 0 HE3 LYS A 58 -4.479 29.074 -18.539 1.00 42.41 H new ATOM 0 HZ1 LYS A 58 -2.503 28.285 -19.666 1.00 3.31 H new ATOM 0 HZ2 LYS A 58 -3.536 29.050 -20.775 1.00 3.31 H new ATOM 0 HZ3 LYS A 58 -2.146 29.850 -20.218 1.00 3.31 H new ATOM 906 N VAL A 59 -3.606 30.650 -13.631 1.00 2.35 N ATOM 907 CA VAL A 59 -2.892 31.056 -12.427 1.00 3.13 C ATOM 908 C VAL A 59 -2.213 29.863 -11.761 1.00 32.04 C ATOM 909 O VAL A 59 -2.861 28.867 -11.443 1.00 24.43 O ATOM 910 CB VAL A 59 -3.837 31.727 -11.411 1.00 0.14 C ATOM 911 CG1 VAL A 59 -5.008 30.813 -11.089 1.00 75.04 C ATOM 912 CG2 VAL A 59 -3.080 32.104 -10.148 1.00 61.33 C ATOM 0 H VAL A 59 -3.909 29.676 -13.633 1.00 2.35 H new ATOM 0 HA VAL A 59 -2.134 31.776 -12.737 1.00 3.13 H new ATOM 0 HB VAL A 59 -4.232 32.641 -11.855 1.00 0.14 H new ATOM 0 HG11 VAL A 59 -5.665 31.303 -10.370 1.00 75.04 H new ATOM 0 HG12 VAL A 59 -5.564 30.599 -12.002 1.00 75.04 H new ATOM 0 HG13 VAL A 59 -4.636 29.881 -10.664 1.00 75.04 H new ATOM 0 HG21 VAL A 59 -3.763 32.577 -9.442 1.00 61.33 H new ATOM 0 HG22 VAL A 59 -2.655 31.207 -9.697 1.00 61.33 H new ATOM 0 HG23 VAL A 59 -2.278 32.799 -10.398 1.00 61.33 H new ATOM 922 N ASP A 60 -0.906 29.973 -11.554 1.00 14.15 N ATOM 923 CA ASP A 60 -0.140 28.903 -10.925 1.00 22.51 C ATOM 924 C ASP A 60 -0.461 28.807 -9.438 1.00 13.20 C ATOM 925 O ASP A 60 -0.199 29.737 -8.674 1.00 44.21 O ATOM 926 CB ASP A 60 1.359 29.138 -11.123 1.00 60.44 C ATOM 927 CG ASP A 60 1.708 29.484 -12.557 1.00 44.41 C ATOM 928 OD1 ASP A 60 1.483 30.644 -12.959 1.00 45.21 O ATOM 929 OD2 ASP A 60 2.208 28.594 -13.275 1.00 43.53 O1- ATOM 0 H ASP A 60 -0.355 30.791 -11.812 1.00 14.15 H new ATOM 0 HA ASP A 60 -0.418 27.962 -11.399 1.00 22.51 H new ATOM 0 HB2 ASP A 60 1.687 29.945 -10.468 1.00 60.44 H new ATOM 0 HB3 ASP A 60 1.906 28.244 -10.825 1.00 60.44 H new ATOM 934 N ARG A 61 -1.031 27.677 -9.032 1.00 3.03 N ATOM 935 CA ARG A 61 -1.392 27.460 -7.637 1.00 14.00 C ATOM 936 C ARG A 61 -0.493 26.404 -7.002 1.00 1.23 C ATOM 937 O ARG A 61 0.182 25.646 -7.700 1.00 63.34 O ATOM 938 CB ARG A 61 -2.856 27.034 -7.525 1.00 5.22 C ATOM 939 CG ARG A 61 -3.834 28.069 -8.058 1.00 53.15 C ATOM 940 CD ARG A 61 -5.124 28.083 -7.252 1.00 54.13 C ATOM 941 NE ARG A 61 -6.076 27.083 -7.727 1.00 11.11 N ATOM 942 CZ ARG A 61 -7.364 27.082 -7.402 1.00 44.10 C ATOM 943 NH1 ARG A 61 -7.851 28.024 -6.606 1.00 75.50 N1+ ATOM 944 NH2 ARG A 61 -8.169 26.138 -7.874 1.00 12.20 N ATOM 0 H ARG A 61 -1.253 26.897 -9.651 1.00 3.03 H new ATOM 0 HA ARG A 61 -1.254 28.400 -7.102 1.00 14.00 H new ATOM 0 HB2 ARG A 61 -2.996 26.100 -8.069 1.00 5.22 H new ATOM 0 HB3 ARG A 61 -3.088 26.832 -6.479 1.00 5.22 H new ATOM 0 HG2 ARG A 61 -3.373 29.056 -8.027 1.00 53.15 H new ATOM 0 HG3 ARG A 61 -4.059 27.855 -9.103 1.00 53.15 H new ATOM 0 HD2 ARG A 61 -4.898 27.898 -6.202 1.00 54.13 H new ATOM 0 HD3 ARG A 61 -5.578 29.072 -7.311 1.00 54.13 H new ATOM 0 HE ARG A 61 -5.733 26.345 -8.342 1.00 11.11 H new ATOM 0 HH11 ARG A 61 -7.236 28.752 -6.242 1.00 75.50 H new ATOM 0 HH12 ARG A 61 -8.840 28.021 -6.358 1.00 75.50 H new ATOM 0 HH21 ARG A 61 -7.799 25.412 -8.487 1.00 12.20 H new ATOM 0 HH22 ARG A 61 -9.158 26.139 -7.623 1.00 12.20 H new ATOM 958 N CYS A 62 -0.489 26.358 -5.673 1.00 42.04 N ATOM 959 CA CYS A 62 0.327 25.395 -4.943 1.00 0.35 C ATOM 960 C CYS A 62 -0.176 23.972 -5.172 1.00 41.03 C ATOM 961 O CYS A 62 -1.379 23.716 -5.136 1.00 41.35 O ATOM 962 CB CYS A 62 0.316 25.717 -3.448 1.00 62.15 C ATOM 963 SG CYS A 62 1.104 24.446 -2.407 1.00 73.51 S ATOM 0 H CYS A 62 -1.042 26.977 -5.080 1.00 42.04 H new ATOM 0 HA CYS A 62 1.349 25.465 -5.316 1.00 0.35 H new ATOM 0 HB2 CYS A 62 0.824 26.668 -3.288 1.00 62.15 H new ATOM 0 HB3 CYS A 62 -0.716 25.849 -3.123 1.00 62.15 H new ATOM 968 N TYR A 63 0.754 23.053 -5.406 1.00 45.52 N ATOM 969 CA TYR A 63 0.406 21.657 -5.642 1.00 14.20 C ATOM 970 C TYR A 63 1.473 20.726 -5.075 1.00 21.05 C ATOM 971 O TYR A 63 2.648 21.087 -4.992 1.00 3.33 O ATOM 972 CB TYR A 63 0.232 21.401 -7.140 1.00 45.41 C ATOM 973 CG TYR A 63 1.535 21.384 -7.907 1.00 52.45 C ATOM 974 CD1 TYR A 63 2.281 20.218 -8.023 1.00 1.01 C ATOM 975 CD2 TYR A 63 2.021 22.535 -8.514 1.00 72.13 C ATOM 976 CE1 TYR A 63 3.472 20.198 -8.723 1.00 53.34 C ATOM 977 CE2 TYR A 63 3.211 22.525 -9.215 1.00 13.22 C ATOM 978 CZ TYR A 63 3.933 21.354 -9.317 1.00 70.24 C ATOM 979 OH TYR A 63 5.119 21.339 -10.014 1.00 43.32 O ATOM 0 H TYR A 63 1.754 23.250 -5.437 1.00 45.52 H new ATOM 0 HA TYR A 63 -0.536 21.452 -5.133 1.00 14.20 H new ATOM 0 HB2 TYR A 63 -0.275 20.446 -7.280 1.00 45.41 H new ATOM 0 HB3 TYR A 63 -0.416 22.171 -7.559 1.00 45.41 H new ATOM 0 HD1 TYR A 63 1.924 19.311 -7.558 1.00 1.01 H new ATOM 0 HD2 TYR A 63 1.459 23.454 -8.436 1.00 72.13 H new ATOM 0 HE1 TYR A 63 4.039 19.282 -8.805 1.00 53.34 H new ATOM 0 HE2 TYR A 63 3.574 23.429 -9.681 1.00 13.22 H new ATOM 0 HH TYR A 63 5.300 22.234 -10.371 1.00 43.32 H new ATOM 989 N ILE A 64 1.056 19.525 -4.686 1.00 55.33 N ATOM 990 CA ILE A 64 1.975 18.541 -4.129 1.00 5.43 C ATOM 991 C ILE A 64 1.686 17.148 -4.675 1.00 12.54 C ATOM 992 O ILE A 64 0.603 16.599 -4.465 1.00 4.15 O ATOM 993 CB ILE A 64 1.897 18.505 -2.592 1.00 2.33 C ATOM 994 CG1 ILE A 64 2.234 19.879 -2.010 1.00 75.43 C ATOM 995 CG2 ILE A 64 2.837 17.445 -2.039 1.00 44.01 C ATOM 996 CD1 ILE A 64 2.095 19.948 -0.505 1.00 11.12 C ATOM 0 H ILE A 64 0.088 19.211 -4.747 1.00 55.33 H new ATOM 0 HA ILE A 64 2.979 18.843 -4.426 1.00 5.43 H new ATOM 0 HB ILE A 64 0.879 18.248 -2.301 1.00 2.33 H new ATOM 0 HG12 ILE A 64 3.256 20.140 -2.285 1.00 75.43 H new ATOM 0 HG13 ILE A 64 1.581 20.626 -2.462 1.00 75.43 H new ATOM 0 HG21 ILE A 64 2.771 17.432 -0.951 1.00 44.01 H new ATOM 0 HG22 ILE A 64 2.555 16.468 -2.432 1.00 44.01 H new ATOM 0 HG23 ILE A 64 3.860 17.675 -2.337 1.00 44.01 H new ATOM 0 HD11 ILE A 64 2.350 20.951 -0.162 1.00 11.12 H new ATOM 0 HD12 ILE A 64 1.067 19.718 -0.224 1.00 11.12 H new ATOM 0 HD13 ILE A 64 2.768 19.225 -0.044 1.00 11.12 H new ATOM 1008 N CYS A 65 2.660 16.579 -5.377 1.00 21.21 N ATOM 1009 CA CYS A 65 2.511 15.246 -5.953 1.00 73.21 C ATOM 1010 C CYS A 65 3.594 14.305 -5.433 1.00 10.41 C ATOM 1011 O CYS A 65 4.702 14.735 -5.111 1.00 53.41 O ATOM 1012 CB CYS A 65 2.574 15.320 -7.480 1.00 24.12 C ATOM 1013 SG CYS A 65 1.180 16.214 -8.238 1.00 3.43 S ATOM 0 H CYS A 65 3.561 17.019 -5.561 1.00 21.21 H new ATOM 0 HA CYS A 65 1.539 14.853 -5.654 1.00 73.21 H new ATOM 0 HB2 CYS A 65 3.505 15.806 -7.772 1.00 24.12 H new ATOM 0 HB3 CYS A 65 2.604 14.307 -7.881 1.00 24.12 H new ATOM 1018 N ASN A 66 3.265 13.020 -5.354 1.00 44.32 N ATOM 1019 CA ASN A 66 4.210 12.019 -4.873 1.00 53.41 C ATOM 1020 C ASN A 66 5.398 11.892 -5.822 1.00 40.54 C ATOM 1021 O ASN A 66 5.371 12.403 -6.939 1.00 42.44 O ATOM 1022 CB ASN A 66 3.515 10.663 -4.726 1.00 4.34 C ATOM 1023 CG ASN A 66 2.983 10.138 -6.045 1.00 53.40 C ATOM 1024 OD1 ASN A 66 2.881 10.879 -7.024 1.00 23.11 O ATOM 1025 ND2 ASN A 66 2.644 8.855 -6.078 1.00 12.22 N ATOM 0 H ASN A 66 2.352 12.648 -5.616 1.00 44.32 H new ATOM 0 HA ASN A 66 4.578 12.341 -3.899 1.00 53.41 H new ATOM 0 HB2 ASN A 66 4.217 9.942 -4.308 1.00 4.34 H new ATOM 0 HB3 ASN A 66 2.692 10.755 -4.017 1.00 4.34 H new ATOM 0 HD21 ASN A 66 2.282 8.445 -6.939 1.00 12.22 H new ATOM 0 HD22 ASN A 66 2.746 8.279 -5.242 1.00 12.22 H new ATOM 1032 N ASN A 67 6.441 11.205 -5.364 1.00 11.55 N ATOM 1033 CA ASN A 67 7.641 11.012 -6.171 1.00 15.23 C ATOM 1034 C ASN A 67 7.317 10.251 -7.453 1.00 64.24 C ATOM 1035 O ASN A 67 7.966 10.443 -8.481 1.00 61.44 O ATOM 1036 CB ASN A 67 8.702 10.255 -5.370 1.00 20.14 C ATOM 1037 CG ASN A 67 9.591 11.184 -4.567 1.00 74.45 C ATOM 1038 OD1 ASN A 67 9.520 12.405 -4.706 1.00 73.43 O ATOM 1039 ND2 ASN A 67 10.436 10.607 -3.719 1.00 24.13 N ATOM 0 H ASN A 67 6.479 10.774 -4.440 1.00 11.55 H new ATOM 0 HA ASN A 67 8.030 11.994 -6.441 1.00 15.23 H new ATOM 0 HB2 ASN A 67 8.212 9.553 -4.696 1.00 20.14 H new ATOM 0 HB3 ASN A 67 9.317 9.667 -6.051 1.00 20.14 H new ATOM 0 HD21 ASN A 67 11.060 11.180 -3.151 1.00 24.13 H new ATOM 0 HD22 ASN A 67 10.461 9.591 -3.636 1.00 24.13 H new ATOM 1046 N GLU A 68 6.309 9.389 -7.385 1.00 2.34 N ATOM 1047 CA GLU A 68 5.898 8.600 -8.541 1.00 64.21 C ATOM 1048 C GLU A 68 5.074 9.442 -9.509 1.00 23.15 C ATOM 1049 O GLU A 68 4.784 9.017 -10.628 1.00 62.10 O ATOM 1050 CB GLU A 68 5.091 7.380 -8.093 1.00 13.03 C ATOM 1051 CG GLU A 68 5.847 6.463 -7.146 1.00 32.42 C ATOM 1052 CD GLU A 68 6.467 5.274 -7.856 1.00 43.55 C ATOM 1053 OE1 GLU A 68 5.806 4.708 -8.751 1.00 12.11 O ATOM 1054 OE2 GLU A 68 7.612 4.909 -7.516 1.00 63.23 O1- ATOM 0 H GLU A 68 5.761 9.218 -6.542 1.00 2.34 H new ATOM 0 HA GLU A 68 6.797 8.262 -9.056 1.00 64.21 H new ATOM 0 HB2 GLU A 68 4.177 7.719 -7.605 1.00 13.03 H new ATOM 0 HB3 GLU A 68 4.790 6.811 -8.973 1.00 13.03 H new ATOM 0 HG2 GLU A 68 6.631 7.031 -6.644 1.00 32.42 H new ATOM 0 HG3 GLU A 68 5.167 6.106 -6.372 1.00 32.42 H new ATOM 1061 N LYS A 69 4.697 10.638 -9.071 1.00 71.44 N ATOM 1062 CA LYS A 69 3.906 11.541 -9.898 1.00 40.30 C ATOM 1063 C LYS A 69 2.615 10.869 -10.359 1.00 12.13 C ATOM 1064 O LYS A 69 2.042 11.238 -11.384 1.00 32.33 O ATOM 1065 CB LYS A 69 4.718 11.997 -11.112 1.00 41.01 C ATOM 1066 CG LYS A 69 5.689 13.124 -10.806 1.00 21.00 C ATOM 1067 CD LYS A 69 6.187 13.791 -12.078 1.00 71.15 C ATOM 1068 CE LYS A 69 6.571 15.242 -11.831 1.00 4.11 C ATOM 1069 NZ LYS A 69 7.529 15.744 -12.857 1.00 61.00 N1+ ATOM 0 H LYS A 69 4.927 11.005 -8.147 1.00 71.44 H new ATOM 0 HA LYS A 69 3.646 12.411 -9.295 1.00 40.30 H new ATOM 0 HB2 LYS A 69 5.274 11.147 -11.507 1.00 41.01 H new ATOM 0 HB3 LYS A 69 4.033 12.321 -11.896 1.00 41.01 H new ATOM 0 HG2 LYS A 69 5.201 13.865 -10.173 1.00 21.00 H new ATOM 0 HG3 LYS A 69 6.537 12.733 -10.243 1.00 21.00 H new ATOM 0 HD2 LYS A 69 7.049 13.246 -12.463 1.00 71.15 H new ATOM 0 HD3 LYS A 69 5.412 13.743 -12.843 1.00 71.15 H new ATOM 0 HE2 LYS A 69 5.674 15.861 -11.837 1.00 4.11 H new ATOM 0 HE3 LYS A 69 7.017 15.336 -10.841 1.00 4.11 H new ATOM 0 HZ1 LYS A 69 7.766 16.736 -12.654 1.00 61.00 H new ATOM 0 HZ2 LYS A 69 8.395 15.169 -12.834 1.00 61.00 H new ATOM 0 HZ3 LYS A 69 7.095 15.678 -13.800 1.00 61.00 H new ATOM 1083 N THR A 70 2.163 9.881 -9.593 1.00 30.31 N ATOM 1084 CA THR A 70 0.940 9.159 -9.921 1.00 22.31 C ATOM 1085 C THR A 70 -0.262 9.751 -9.194 1.00 43.33 C ATOM 1086 O THR A 70 -1.357 9.834 -9.751 1.00 43.31 O ATOM 1087 CB THR A 70 1.058 7.665 -9.564 1.00 53.45 C ATOM 1088 OG1 THR A 70 1.200 7.510 -8.147 1.00 5.25 O ATOM 1089 CG2 THR A 70 2.247 7.031 -10.271 1.00 43.40 C ATOM 0 H THR A 70 2.625 9.563 -8.741 1.00 30.31 H new ATOM 0 HA THR A 70 0.794 9.258 -10.997 1.00 22.31 H new ATOM 0 HB THR A 70 0.149 7.162 -9.895 1.00 53.45 H new ATOM 0 HG1 THR A 70 1.273 6.558 -7.928 1.00 5.25 H new ATOM 0 HG21 THR A 70 2.309 5.976 -10.003 1.00 43.40 H new ATOM 0 HG22 THR A 70 2.121 7.125 -11.350 1.00 43.40 H new ATOM 0 HG23 THR A 70 3.163 7.537 -9.967 1.00 43.40 H new ATOM 1097 N LEU A 71 -0.049 10.161 -7.948 1.00 55.15 N ATOM 1098 CA LEU A 71 -1.117 10.746 -7.144 1.00 63.21 C ATOM 1099 C LEU A 71 -0.835 12.217 -6.853 1.00 74.32 C ATOM 1100 O LEU A 71 0.316 12.613 -6.666 1.00 71.24 O ATOM 1101 CB LEU A 71 -1.274 9.977 -5.832 1.00 51.23 C ATOM 1102 CG LEU A 71 -2.592 10.188 -5.084 1.00 34.13 C ATOM 1103 CD1 LEU A 71 -3.622 9.156 -5.514 1.00 32.00 C ATOM 1104 CD2 LEU A 71 -2.366 10.125 -3.580 1.00 23.13 C ATOM 0 H LEU A 71 0.852 10.099 -7.473 1.00 55.15 H new ATOM 0 HA LEU A 71 -2.045 10.677 -7.712 1.00 63.21 H new ATOM 0 HB2 LEU A 71 -1.165 8.913 -6.042 1.00 51.23 H new ATOM 0 HB3 LEU A 71 -0.455 10.257 -5.170 1.00 51.23 H new ATOM 0 HG LEU A 71 -2.975 11.177 -5.333 1.00 34.13 H new ATOM 0 HD11 LEU A 71 -4.552 9.322 -4.971 1.00 32.00 H new ATOM 0 HD12 LEU A 71 -3.805 9.249 -6.585 1.00 32.00 H new ATOM 0 HD13 LEU A 71 -3.248 8.156 -5.295 1.00 32.00 H new ATOM 0 HD21 LEU A 71 -3.313 10.277 -3.063 1.00 23.13 H new ATOM 0 HD22 LEU A 71 -1.960 9.149 -3.314 1.00 23.13 H new ATOM 0 HD23 LEU A 71 -1.663 10.904 -3.285 1.00 23.13 H new ATOM 1116 N CYS A 72 -1.892 13.020 -6.814 1.00 53.03 N ATOM 1117 CA CYS A 72 -1.761 14.447 -6.543 1.00 32.24 C ATOM 1118 C CYS A 72 -2.959 14.964 -5.754 1.00 44.23 C ATOM 1119 O CYS A 72 -3.998 14.306 -5.676 1.00 42.24 O ATOM 1120 CB CYS A 72 -1.625 15.225 -7.855 1.00 15.44 C ATOM 1121 SG CYS A 72 -0.159 14.775 -8.839 1.00 43.01 S ATOM 0 H CYS A 72 -2.851 12.707 -6.967 1.00 53.03 H new ATOM 0 HA CYS A 72 -0.863 14.597 -5.944 1.00 32.24 H new ATOM 0 HB2 CYS A 72 -2.518 15.059 -8.457 1.00 15.44 H new ATOM 0 HB3 CYS A 72 -1.585 16.291 -7.630 1.00 15.44 H new ATOM 1126 N THR A 73 -2.808 16.147 -5.167 1.00 61.13 N ATOM 1127 CA THR A 73 -3.877 16.753 -4.383 1.00 22.22 C ATOM 1128 C THR A 73 -5.154 16.885 -5.203 1.00 44.15 C ATOM 1129 O THR A 73 -5.109 16.988 -6.429 1.00 61.12 O ATOM 1130 CB THR A 73 -3.470 18.145 -3.861 1.00 35.12 C ATOM 1131 OG1 THR A 73 -2.515 18.742 -4.746 1.00 31.14 O ATOM 1132 CG2 THR A 73 -2.878 18.046 -2.462 1.00 55.11 C ATOM 0 H THR A 73 -1.956 16.705 -5.220 1.00 61.13 H new ATOM 0 HA THR A 73 -4.060 16.093 -3.535 1.00 22.22 H new ATOM 0 HB THR A 73 -4.364 18.768 -3.819 1.00 35.12 H new ATOM 0 HG1 THR A 73 -2.264 19.627 -4.407 1.00 31.14 H new ATOM 0 HG21 THR A 73 -2.598 19.040 -2.114 1.00 55.11 H new ATOM 0 HG22 THR A 73 -3.617 17.619 -1.784 1.00 55.11 H new ATOM 0 HG23 THR A 73 -1.995 17.408 -2.485 1.00 55.11 H new ATOM 1140 N SER A 74 -6.294 16.882 -4.518 1.00 30.10 N ATOM 1141 CA SER A 74 -7.585 16.998 -5.186 1.00 62.43 C ATOM 1142 C SER A 74 -7.640 18.253 -6.051 1.00 35.40 C ATOM 1143 O SER A 74 -6.733 19.086 -6.015 1.00 60.23 O ATOM 1144 CB SER A 74 -8.714 17.028 -4.154 1.00 23.42 C ATOM 1145 OG SER A 74 -9.983 17.040 -4.785 1.00 21.12 O ATOM 0 H SER A 74 -6.349 16.801 -3.503 1.00 30.10 H new ATOM 0 HA SER A 74 -7.712 16.128 -5.831 1.00 62.43 H new ATOM 0 HB2 SER A 74 -8.637 16.158 -3.501 1.00 23.42 H new ATOM 0 HB3 SER A 74 -8.610 17.910 -3.523 1.00 23.42 H new ATOM 0 HG SER A 74 -10.687 17.057 -4.104 1.00 21.12 H new ATOM 1151 N VAL A 75 -8.709 18.379 -6.831 1.00 55.43 N ATOM 1152 CA VAL A 75 -8.883 19.532 -7.708 1.00 11.13 C ATOM 1153 C VAL A 75 -9.655 20.644 -7.005 1.00 25.41 C ATOM 1154 O VAL A 75 -9.536 21.817 -7.360 1.00 24.22 O ATOM 1155 CB VAL A 75 -9.623 19.147 -9.001 1.00 13.53 C ATOM 1156 CG1 VAL A 75 -11.061 18.757 -8.698 1.00 14.01 C ATOM 1157 CG2 VAL A 75 -9.572 20.289 -10.005 1.00 0.01 C ATOM 0 H VAL A 75 -9.467 17.698 -6.874 1.00 55.43 H new ATOM 0 HA VAL A 75 -7.885 19.890 -7.963 1.00 11.13 H new ATOM 0 HB VAL A 75 -9.123 18.284 -9.441 1.00 13.53 H new ATOM 0 HG11 VAL A 75 -11.568 18.488 -9.625 1.00 14.01 H new ATOM 0 HG12 VAL A 75 -11.071 17.905 -8.018 1.00 14.01 H new ATOM 0 HG13 VAL A 75 -11.576 19.598 -8.234 1.00 14.01 H new ATOM 0 HG21 VAL A 75 -10.100 19.999 -10.913 1.00 0.01 H new ATOM 0 HG22 VAL A 75 -10.046 21.172 -9.576 1.00 0.01 H new ATOM 0 HG23 VAL A 75 -8.533 20.515 -10.246 1.00 0.01 H new ATOM 1167 N MET A 76 -10.447 20.267 -6.006 1.00 43.31 N ATOM 1168 CA MET A 76 -11.239 21.233 -5.253 1.00 43.13 C ATOM 1169 C MET A 76 -10.407 21.871 -4.144 1.00 51.03 C ATOM 1170 O MET A 76 -10.684 22.989 -3.711 1.00 70.34 O ATOM 1171 CB MET A 76 -12.475 20.558 -4.656 1.00 71.42 C ATOM 1172 CG MET A 76 -13.690 20.603 -5.565 1.00 32.35 C ATOM 1173 SD MET A 76 -15.242 20.435 -4.662 1.00 71.52 S ATOM 1174 CE MET A 76 -16.103 21.914 -5.190 1.00 75.53 C ATOM 0 H MET A 76 -10.557 19.300 -5.699 1.00 43.31 H new ATOM 0 HA MET A 76 -11.559 22.017 -5.940 1.00 43.13 H new ATOM 0 HB2 MET A 76 -12.238 19.518 -4.431 1.00 71.42 H new ATOM 0 HB3 MET A 76 -12.721 21.040 -3.710 1.00 71.42 H new ATOM 0 HG2 MET A 76 -13.694 21.545 -6.113 1.00 32.35 H new ATOM 0 HG3 MET A 76 -13.616 19.805 -6.303 1.00 32.35 H new ATOM 0 HE1 MET A 76 -17.083 21.954 -4.715 1.00 75.53 H new ATOM 0 HE2 MET A 76 -15.525 22.793 -4.904 1.00 75.53 H new ATOM 0 HE3 MET A 76 -16.225 21.897 -6.273 1.00 75.53 H new TER 1184 MET A 76