USER MOD reduce.3.24.130724 H: found=0, std=0, add=545, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 543 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 Single : A 1 GLY N :NH3+ -140:sc= -0.0243 (180deg=-0.689) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 MET CE :methyl -171:sc= 0 (180deg=-0.148) USER MOD Single : A 8 ASN :FLIP amide:sc= -1.04 F(o=-3.9,f=-1) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -1.07 K(o=-1.1,f=-2.2) USER MOD Single : A 14 ASN : amide:sc= -0.147 K(o=-0.15,f=-0.85) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -0.572 K(o=-0.57,f=-4.1!) USER MOD Single : A 22 SER OG : rot -63:sc= -0.0815 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= -0.797 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 134:sc= 2.11 USER MOD Single : A 34 ASN : amide:sc= -0.807 K(o=-0.81,f=-4) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc=-0.00505 K(o=-0.0051,f=-0.56) USER MOD Single : A 44 LYS NZ :NH3+ 153:sc= 1.07 (180deg=0.453) USER MOD Single : A 46 TYR OH : rot 180:sc= -0.471 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot -155:sc= 1.23 USER MOD Single : A 52 THR OG1 : rot -20:sc= 0.461 USER MOD Single : A 53 THR OG1 : rot 43:sc= 1.12 USER MOD Single : A 54 SER OG : rot 180:sc= -0.179 USER MOD Single : A 57 SER OG : rot 180:sc= -0.0111 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 80:sc= 0.0602 USER MOD Single : A 66 TYR OH : rot 29:sc= 1.3 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.0445 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 33.339 1.234 -5.544 1.00 71.24 N ATOM 2 CA GLY A 1 31.993 1.362 -6.069 1.00 44.51 C ATOM 3 C GLY A 1 31.190 2.433 -5.355 1.00 34.13 C ATOM 4 O GLY A 1 30.303 2.141 -4.554 1.00 4.54 O ATOM 0 H1 GLY A 1 34.005 1.086 -6.329 1.00 71.24 H new ATOM 0 H2 GLY A 1 33.596 2.102 -5.031 1.00 71.24 H new ATOM 0 H3 GLY A 1 33.383 0.423 -4.895 1.00 71.24 H new ATOM 0 HA2 GLY A 1 32.042 1.598 -7.132 1.00 44.51 H new ATOM 0 HA3 GLY A 1 31.478 0.405 -5.978 1.00 44.51 H new ATOM 8 N PRO A 2 31.504 3.703 -5.643 1.00 44.43 N ATOM 9 CA PRO A 2 30.819 4.847 -5.032 1.00 33.04 C ATOM 10 C PRO A 2 29.381 4.988 -5.519 1.00 2.22 C ATOM 11 O PRO A 2 29.094 4.800 -6.701 1.00 21.12 O ATOM 12 CB PRO A 2 31.656 6.046 -5.484 1.00 14.14 C ATOM 13 CG PRO A 2 32.305 5.600 -6.748 1.00 35.10 C ATOM 14 CD PRO A 2 32.552 4.124 -6.590 1.00 22.10 C ATOM 0 HA PRO A 2 30.745 4.746 -3.949 1.00 33.04 H new ATOM 0 HB2 PRO A 2 31.032 6.925 -5.648 1.00 14.14 H new ATOM 0 HB3 PRO A 2 32.398 6.317 -4.732 1.00 14.14 H new ATOM 0 HG2 PRO A 2 31.664 5.798 -7.607 1.00 35.10 H new ATOM 0 HG3 PRO A 2 33.239 6.136 -6.917 1.00 35.10 H new ATOM 0 HD2 PRO A 2 32.469 3.598 -7.541 1.00 22.10 H new ATOM 0 HD3 PRO A 2 33.550 3.923 -6.201 1.00 22.10 H new ATOM 22 N SER A 3 28.480 5.320 -4.600 1.00 5.53 N ATOM 23 CA SER A 3 27.070 5.483 -4.935 1.00 60.33 C ATOM 24 C SER A 3 26.453 6.633 -4.144 1.00 32.24 C ATOM 25 O SER A 3 26.925 6.982 -3.062 1.00 25.31 O ATOM 26 CB SER A 3 26.305 4.188 -4.656 1.00 42.30 C ATOM 27 OG SER A 3 24.987 4.254 -5.172 1.00 3.45 O ATOM 0 H SER A 3 28.701 5.481 -3.617 1.00 5.53 H new ATOM 0 HA SER A 3 26.999 5.717 -5.997 1.00 60.33 H new ATOM 0 HB2 SER A 3 26.833 3.346 -5.104 1.00 42.30 H new ATOM 0 HB3 SER A 3 26.270 4.007 -3.582 1.00 42.30 H new ATOM 0 HG SER A 3 24.519 3.414 -4.983 1.00 3.45 H new ATOM 33 N THR A 4 25.393 7.219 -4.692 1.00 54.23 N ATOM 34 CA THR A 4 24.711 8.330 -4.040 1.00 35.12 C ATOM 35 C THR A 4 23.235 8.016 -3.822 1.00 21.25 C ATOM 36 O THR A 4 22.726 7.007 -4.310 1.00 62.21 O ATOM 37 CB THR A 4 24.832 9.625 -4.865 1.00 24.21 C ATOM 38 OG1 THR A 4 24.403 9.392 -6.211 1.00 35.25 O ATOM 39 CG2 THR A 4 26.266 10.134 -4.865 1.00 33.15 C ATOM 0 H THR A 4 24.988 6.942 -5.586 1.00 54.23 H new ATOM 0 HA THR A 4 25.196 8.476 -3.075 1.00 35.12 H new ATOM 0 HB THR A 4 24.194 10.381 -4.408 1.00 24.21 H new ATOM 0 HG1 THR A 4 24.482 10.221 -6.728 1.00 35.25 H new ATOM 0 HG21 THR A 4 26.327 11.049 -5.454 1.00 33.15 H new ATOM 0 HG22 THR A 4 26.579 10.339 -3.841 1.00 33.15 H new ATOM 0 HG23 THR A 4 26.920 9.378 -5.300 1.00 33.15 H new ATOM 47 N SER A 5 22.553 8.887 -3.086 1.00 44.54 N ATOM 48 CA SER A 5 21.135 8.702 -2.801 1.00 41.32 C ATOM 49 C SER A 5 20.372 10.015 -2.958 1.00 55.01 C ATOM 50 O SER A 5 20.913 11.092 -2.711 1.00 13.12 O ATOM 51 CB SER A 5 20.945 8.156 -1.384 1.00 34.02 C ATOM 52 OG SER A 5 21.245 6.772 -1.327 1.00 2.31 O ATOM 0 H SER A 5 22.959 9.728 -2.676 1.00 44.54 H new ATOM 0 HA SER A 5 20.737 7.983 -3.517 1.00 41.32 H new ATOM 0 HB2 SER A 5 21.588 8.700 -0.692 1.00 34.02 H new ATOM 0 HB3 SER A 5 19.917 8.322 -1.061 1.00 34.02 H new ATOM 0 HG SER A 5 21.118 6.447 -0.411 1.00 2.31 H new ATOM 58 N MET A 6 19.114 9.914 -3.372 1.00 10.54 N ATOM 59 CA MET A 6 18.275 11.092 -3.561 1.00 51.21 C ATOM 60 C MET A 6 16.814 10.697 -3.742 1.00 11.13 C ATOM 61 O MET A 6 16.467 9.519 -3.666 1.00 31.15 O ATOM 62 CB MET A 6 18.752 11.894 -4.774 1.00 31.25 C ATOM 63 CG MET A 6 18.467 11.213 -6.103 1.00 61.21 C ATOM 64 SD MET A 6 19.770 11.489 -7.318 1.00 21.10 S ATOM 65 CE MET A 6 19.802 13.279 -7.380 1.00 51.33 C ATOM 0 H MET A 6 18.653 9.029 -3.583 1.00 10.54 H new ATOM 0 HA MET A 6 18.357 11.712 -2.668 1.00 51.21 H new ATOM 0 HB2 MET A 6 18.270 12.872 -4.765 1.00 31.25 H new ATOM 0 HB3 MET A 6 19.825 12.067 -4.686 1.00 31.25 H new ATOM 0 HG2 MET A 6 18.349 10.142 -5.940 1.00 61.21 H new ATOM 0 HG3 MET A 6 17.521 11.581 -6.500 1.00 61.21 H new ATOM 0 HE1 MET A 6 20.443 13.603 -8.200 1.00 51.33 H new ATOM 0 HE2 MET A 6 18.791 13.656 -7.538 1.00 51.33 H new ATOM 0 HE3 MET A 6 20.192 13.669 -6.440 1.00 51.33 H new ATOM 75 N GLU A 7 15.962 11.688 -3.981 1.00 40.34 N ATOM 76 CA GLU A 7 14.537 11.442 -4.172 1.00 5.02 C ATOM 77 C GLU A 7 14.122 11.731 -5.612 1.00 21.05 C ATOM 78 O GLU A 7 13.480 10.906 -6.260 1.00 51.33 O ATOM 79 CB GLU A 7 13.714 12.303 -3.210 1.00 75.21 C ATOM 80 CG GLU A 7 13.984 12.005 -1.745 1.00 61.21 C ATOM 81 CD GLU A 7 15.042 12.914 -1.149 1.00 1.41 C ATOM 82 OE1 GLU A 7 15.035 14.121 -1.468 1.00 34.35 O ATOM 83 OE2 GLU A 7 15.876 12.416 -0.363 1.00 41.31 O ATOM 0 H GLU A 7 16.233 12.669 -4.047 1.00 40.34 H new ATOM 0 HA GLU A 7 14.346 10.390 -3.961 1.00 5.02 H new ATOM 0 HB2 GLU A 7 13.927 13.354 -3.404 1.00 75.21 H new ATOM 0 HB3 GLU A 7 12.654 12.150 -3.414 1.00 75.21 H new ATOM 0 HG2 GLU A 7 13.058 12.112 -1.180 1.00 61.21 H new ATOM 0 HG3 GLU A 7 14.302 10.968 -1.642 1.00 61.21 H new ATOM 90 N ASN A 8 14.494 12.908 -6.103 1.00 14.11 N ATOM 91 CA ASN A 8 14.161 13.307 -7.466 1.00 2.02 C ATOM 92 C ASN A 8 15.019 12.555 -8.479 1.00 63.04 C ATOM 93 O ASN A 8 15.950 13.118 -9.059 1.00 0.24 O ATOM 94 CB ASN A 8 14.350 14.815 -7.639 1.00 41.42 C ATOM 95 CG ASN A 8 14.209 15.254 -9.084 1.00 21.22 C ATOM 96 OD1 ASN A 8 12.994 15.166 -9.613 1.00 71.12 O flip ATOM 97 ND2 ASN A 8 15.181 15.666 -9.716 1.00 63.21 N flip ATOM 0 H ASN A 8 15.026 13.602 -5.578 1.00 14.11 H new ATOM 0 HA ASN A 8 13.116 13.056 -7.646 1.00 2.02 H new ATOM 0 HB2 ASN A 8 13.617 15.343 -7.029 1.00 41.42 H new ATOM 0 HB3 ASN A 8 15.336 15.099 -7.270 1.00 41.42 H new ATOM 0 HD21 ASN A 8 16.096 15.716 -9.268 1.00 63.21 H new ATOM 0 HD22 ASN A 8 15.072 15.957 -10.687 1.00 63.21 H new ATOM 104 N LEU A 9 14.702 11.283 -8.688 1.00 31.34 N ATOM 105 CA LEU A 9 15.443 10.454 -9.630 1.00 52.15 C ATOM 106 C LEU A 9 14.760 10.436 -10.994 1.00 71.04 C ATOM 107 O LEU A 9 15.085 9.616 -11.852 1.00 15.55 O ATOM 108 CB LEU A 9 15.573 9.027 -9.094 1.00 11.02 C ATOM 109 CG LEU A 9 14.311 8.167 -9.164 1.00 30.31 C ATOM 110 CD1 LEU A 9 14.532 6.966 -10.071 1.00 63.30 C ATOM 111 CD2 LEU A 9 13.896 7.716 -7.770 1.00 42.55 C ATOM 0 H LEU A 9 13.935 10.803 -8.217 1.00 31.34 H new ATOM 0 HA LEU A 9 16.438 10.883 -9.747 1.00 52.15 H new ATOM 0 HB2 LEU A 9 16.364 8.522 -9.649 1.00 11.02 H new ATOM 0 HB3 LEU A 9 15.896 9.079 -8.054 1.00 11.02 H new ATOM 0 HG LEU A 9 13.506 8.770 -9.585 1.00 30.31 H new ATOM 0 HD11 LEU A 9 13.623 6.366 -10.108 1.00 63.30 H new ATOM 0 HD12 LEU A 9 14.781 7.309 -11.075 1.00 63.30 H new ATOM 0 HD13 LEU A 9 15.350 6.361 -9.681 1.00 63.30 H new ATOM 0 HD21 LEU A 9 12.996 7.105 -7.838 1.00 42.55 H new ATOM 0 HD22 LEU A 9 14.699 7.130 -7.323 1.00 42.55 H new ATOM 0 HD23 LEU A 9 13.695 8.590 -7.150 1.00 42.55 H new ATOM 123 N VAL A 10 13.814 11.349 -11.189 1.00 62.53 N ATOM 124 CA VAL A 10 13.088 11.442 -12.449 1.00 10.42 C ATOM 125 C VAL A 10 14.047 11.501 -13.633 1.00 42.52 C ATOM 126 O VAL A 10 13.719 11.056 -14.733 1.00 0.32 O ATOM 127 CB VAL A 10 12.173 12.680 -12.480 1.00 10.40 C ATOM 128 CG1 VAL A 10 13.000 13.952 -12.602 1.00 3.44 C ATOM 129 CG2 VAL A 10 11.172 12.574 -13.621 1.00 72.41 C ATOM 0 H VAL A 10 13.533 12.035 -10.489 1.00 62.53 H new ATOM 0 HA VAL A 10 12.474 10.545 -12.527 1.00 10.42 H new ATOM 0 HB VAL A 10 11.618 12.724 -11.543 1.00 10.40 H new ATOM 0 HG11 VAL A 10 12.337 14.817 -12.622 1.00 3.44 H new ATOM 0 HG12 VAL A 10 13.673 14.031 -11.749 1.00 3.44 H new ATOM 0 HG13 VAL A 10 13.583 13.920 -13.522 1.00 3.44 H new ATOM 0 HG21 VAL A 10 10.533 13.457 -13.628 1.00 72.41 H new ATOM 0 HG22 VAL A 10 11.706 12.505 -14.569 1.00 72.41 H new ATOM 0 HG23 VAL A 10 10.558 11.684 -13.485 1.00 72.41 H new ATOM 139 N SER A 11 15.232 12.054 -13.399 1.00 40.53 N ATOM 140 CA SER A 11 16.238 12.175 -14.448 1.00 64.13 C ATOM 141 C SER A 11 16.886 10.824 -14.738 1.00 45.44 C ATOM 142 O SER A 11 17.090 10.456 -15.896 1.00 43.41 O ATOM 143 CB SER A 11 17.309 13.190 -14.042 1.00 32.41 C ATOM 144 OG SER A 11 16.755 14.487 -13.898 1.00 12.54 O ATOM 0 H SER A 11 15.519 12.425 -12.493 1.00 40.53 H new ATOM 0 HA SER A 11 15.742 12.523 -15.354 1.00 64.13 H new ATOM 0 HB2 SER A 11 17.769 12.882 -13.103 1.00 32.41 H new ATOM 0 HB3 SER A 11 18.099 13.210 -14.793 1.00 32.41 H new ATOM 0 HG SER A 11 17.459 15.116 -13.637 1.00 12.54 H new ATOM 150 N LEU A 12 17.207 10.090 -13.680 1.00 31.42 N ATOM 151 CA LEU A 12 17.833 8.779 -13.818 1.00 3.34 C ATOM 152 C LEU A 12 16.792 7.668 -13.723 1.00 31.24 C ATOM 153 O LEU A 12 17.115 6.531 -13.380 1.00 31.54 O ATOM 154 CB LEU A 12 18.903 8.586 -12.742 1.00 15.44 C ATOM 155 CG LEU A 12 20.238 9.290 -12.990 1.00 4.55 C ATOM 156 CD1 LEU A 12 20.100 10.788 -12.764 1.00 74.34 C ATOM 157 CD2 LEU A 12 21.320 8.710 -12.092 1.00 21.44 C ATOM 0 H LEU A 12 17.044 10.380 -12.716 1.00 31.42 H new ATOM 0 HA LEU A 12 18.303 8.729 -14.800 1.00 3.34 H new ATOM 0 HB2 LEU A 12 18.501 8.936 -11.791 1.00 15.44 H new ATOM 0 HB3 LEU A 12 19.093 7.518 -12.634 1.00 15.44 H new ATOM 0 HG LEU A 12 20.528 9.125 -14.028 1.00 4.55 H new ATOM 0 HD11 LEU A 12 21.059 11.273 -12.945 1.00 74.34 H new ATOM 0 HD12 LEU A 12 19.354 11.192 -13.449 1.00 74.34 H new ATOM 0 HD13 LEU A 12 19.788 10.974 -11.736 1.00 74.34 H new ATOM 0 HD21 LEU A 12 22.263 9.222 -12.281 1.00 21.44 H new ATOM 0 HD22 LEU A 12 21.037 8.845 -11.048 1.00 21.44 H new ATOM 0 HD23 LEU A 12 21.436 7.647 -12.302 1.00 21.44 H new ATOM 169 N GLN A 13 15.544 8.004 -14.031 1.00 24.11 N ATOM 170 CA GLN A 13 14.457 7.033 -13.980 1.00 32.20 C ATOM 171 C GLN A 13 14.591 6.007 -15.101 1.00 64.04 C ATOM 172 O GLN A 13 14.000 4.931 -15.043 1.00 35.02 O ATOM 173 CB GLN A 13 13.106 7.743 -14.080 1.00 51.44 C ATOM 174 CG GLN A 13 12.410 7.920 -12.741 1.00 30.42 C ATOM 175 CD GLN A 13 11.035 8.542 -12.876 1.00 4.44 C ATOM 176 OE1 GLN A 13 10.524 8.715 -13.982 1.00 42.45 O ATOM 177 NE2 GLN A 13 10.425 8.881 -11.746 1.00 4.21 N ATOM 0 H GLN A 13 15.260 8.941 -14.318 1.00 24.11 H new ATOM 0 HA GLN A 13 14.514 6.510 -13.025 1.00 32.20 H new ATOM 0 HB2 GLN A 13 13.253 8.722 -14.536 1.00 51.44 H new ATOM 0 HB3 GLN A 13 12.456 7.176 -14.746 1.00 51.44 H new ATOM 0 HG2 GLN A 13 12.319 6.950 -12.252 1.00 30.42 H new ATOM 0 HG3 GLN A 13 13.026 8.546 -12.096 1.00 30.42 H new ATOM 0 HE21 GLN A 13 10.885 8.720 -10.850 1.00 4.21 H new ATOM 0 HE22 GLN A 13 9.497 9.302 -11.774 1.00 4.21 H new ATOM 186 N ASN A 14 15.371 6.352 -16.120 1.00 55.42 N ATOM 187 CA ASN A 14 15.582 5.460 -17.256 1.00 44.30 C ATOM 188 C ASN A 14 17.070 5.298 -17.551 1.00 34.41 C ATOM 189 O ASN A 14 17.663 4.258 -17.257 1.00 0.43 O ATOM 190 CB ASN A 14 14.861 5.998 -18.494 1.00 64.05 C ATOM 191 CG ASN A 14 13.473 5.410 -18.656 1.00 43.21 C ATOM 192 OD1 ASN A 14 13.255 4.226 -18.402 1.00 23.33 O ATOM 193 ND2 ASN A 14 12.526 6.238 -19.082 1.00 20.21 N ATOM 0 H ASN A 14 15.867 7.241 -16.183 1.00 55.42 H new ATOM 0 HA ASN A 14 15.172 4.483 -17.000 1.00 44.30 H new ATOM 0 HB2 ASN A 14 14.787 7.083 -18.425 1.00 64.05 H new ATOM 0 HB3 ASN A 14 15.453 5.775 -19.382 1.00 64.05 H new ATOM 0 HD21 ASN A 14 11.573 5.899 -19.211 1.00 20.21 H new ATOM 0 HD22 ASN A 14 12.752 7.213 -19.280 1.00 20.21 H new ATOM 200 N LEU A 15 17.669 6.331 -18.132 1.00 54.05 N ATOM 201 CA LEU A 15 19.089 6.303 -18.467 1.00 25.32 C ATOM 202 C LEU A 15 19.816 7.494 -17.851 1.00 53.22 C ATOM 203 O LEU A 15 19.237 8.568 -17.679 1.00 61.44 O ATOM 204 CB LEU A 15 19.275 6.306 -19.985 1.00 73.25 C ATOM 205 CG LEU A 15 20.067 5.135 -20.566 1.00 52.24 C ATOM 206 CD1 LEU A 15 19.127 4.104 -21.172 1.00 61.11 C ATOM 207 CD2 LEU A 15 21.063 5.627 -21.606 1.00 3.21 C ATOM 0 H LEU A 15 17.194 7.199 -18.381 1.00 54.05 H new ATOM 0 HA LEU A 15 19.517 5.388 -18.057 1.00 25.32 H new ATOM 0 HB2 LEU A 15 18.290 6.320 -20.452 1.00 73.25 H new ATOM 0 HB3 LEU A 15 19.775 7.233 -20.268 1.00 73.25 H new ATOM 0 HG LEU A 15 20.622 4.660 -19.757 1.00 52.24 H new ATOM 0 HD11 LEU A 15 19.708 3.278 -21.581 1.00 61.11 H new ATOM 0 HD12 LEU A 15 18.454 3.728 -20.402 1.00 61.11 H new ATOM 0 HD13 LEU A 15 18.544 4.567 -21.969 1.00 61.11 H new ATOM 0 HD21 LEU A 15 21.618 4.779 -22.008 1.00 3.21 H new ATOM 0 HD22 LEU A 15 20.529 6.127 -22.414 1.00 3.21 H new ATOM 0 HD23 LEU A 15 21.757 6.327 -21.142 1.00 3.21 H new ATOM 219 N LEU A 16 21.088 7.299 -17.523 1.00 34.32 N ATOM 220 CA LEU A 16 21.896 8.357 -16.928 1.00 74.50 C ATOM 221 C LEU A 16 22.073 9.519 -17.900 1.00 34.31 C ATOM 222 O LEU A 16 21.893 10.681 -17.535 1.00 71.31 O ATOM 223 CB LEU A 16 23.265 7.810 -16.515 1.00 43.23 C ATOM 224 CG LEU A 16 23.251 6.527 -15.682 1.00 50.25 C ATOM 225 CD1 LEU A 16 24.637 5.902 -15.644 1.00 65.34 C ATOM 226 CD2 LEU A 16 22.751 6.811 -14.274 1.00 73.11 C ATOM 0 H LEU A 16 21.582 6.417 -17.659 1.00 34.32 H new ATOM 0 HA LEU A 16 21.376 8.723 -16.043 1.00 74.50 H new ATOM 0 HB2 LEU A 16 23.848 7.627 -17.417 1.00 43.23 H new ATOM 0 HB3 LEU A 16 23.787 8.582 -15.949 1.00 43.23 H new ATOM 0 HG LEU A 16 22.568 5.818 -16.151 1.00 50.25 H new ATOM 0 HD11 LEU A 16 24.609 4.990 -15.047 1.00 65.34 H new ATOM 0 HD12 LEU A 16 24.956 5.662 -16.658 1.00 65.34 H new ATOM 0 HD13 LEU A 16 25.341 6.605 -15.199 1.00 65.34 H new ATOM 0 HD21 LEU A 16 22.748 5.887 -13.696 1.00 73.11 H new ATOM 0 HD22 LEU A 16 23.407 7.537 -13.794 1.00 73.11 H new ATOM 0 HD23 LEU A 16 21.739 7.213 -14.321 1.00 73.11 H new ATOM 238 N VAL A 17 22.425 9.196 -19.141 1.00 45.33 N ATOM 239 CA VAL A 17 22.622 10.213 -20.168 1.00 70.43 C ATOM 240 C VAL A 17 23.753 11.164 -19.789 1.00 14.41 C ATOM 241 O VAL A 17 24.176 11.213 -18.634 1.00 61.14 O ATOM 242 CB VAL A 17 21.337 11.029 -20.404 1.00 72.45 C ATOM 243 CG1 VAL A 17 21.340 11.635 -21.800 1.00 10.44 C ATOM 244 CG2 VAL A 17 20.108 10.159 -20.194 1.00 54.21 C ATOM 0 H VAL A 17 22.579 8.239 -19.459 1.00 45.33 H new ATOM 0 HA VAL A 17 22.884 9.689 -21.087 1.00 70.43 H new ATOM 0 HB VAL A 17 21.305 11.843 -19.680 1.00 72.45 H new ATOM 0 HG11 VAL A 17 20.425 12.208 -21.950 1.00 10.44 H new ATOM 0 HG12 VAL A 17 22.202 12.293 -21.909 1.00 10.44 H new ATOM 0 HG13 VAL A 17 21.395 10.839 -22.542 1.00 10.44 H new ATOM 0 HG21 VAL A 17 19.209 10.752 -20.365 1.00 54.21 H new ATOM 0 HG22 VAL A 17 20.130 9.323 -20.893 1.00 54.21 H new ATOM 0 HG23 VAL A 17 20.102 9.778 -19.173 1.00 54.21 H new ATOM 254 N TYR A 18 24.237 11.919 -20.770 1.00 13.41 N ATOM 255 CA TYR A 18 25.319 12.867 -20.541 1.00 20.22 C ATOM 256 C TYR A 18 24.797 14.301 -20.544 1.00 34.33 C ATOM 257 O TYR A 18 25.442 15.208 -21.071 1.00 13.32 O ATOM 258 CB TYR A 18 26.403 12.705 -21.609 1.00 2.12 C ATOM 259 CG TYR A 18 25.853 12.481 -22.999 1.00 32.14 C ATOM 260 CD1 TYR A 18 25.001 13.407 -23.589 1.00 24.34 C ATOM 261 CD2 TYR A 18 26.184 11.343 -23.724 1.00 31.54 C ATOM 262 CE1 TYR A 18 24.496 13.207 -24.858 1.00 1.02 C ATOM 263 CE2 TYR A 18 25.686 11.135 -24.995 1.00 14.41 C ATOM 264 CZ TYR A 18 24.841 12.069 -25.558 1.00 75.51 C ATOM 265 OH TYR A 18 24.341 11.865 -26.823 1.00 62.31 O ATOM 0 H TYR A 18 23.896 11.892 -21.731 1.00 13.41 H new ATOM 0 HA TYR A 18 25.749 12.658 -19.562 1.00 20.22 H new ATOM 0 HB2 TYR A 18 27.032 13.595 -21.615 1.00 2.12 H new ATOM 0 HB3 TYR A 18 27.043 11.865 -21.341 1.00 2.12 H new ATOM 0 HD1 TYR A 18 24.729 14.299 -23.045 1.00 24.34 H new ATOM 0 HD2 TYR A 18 26.843 10.608 -23.286 1.00 31.54 H new ATOM 0 HE1 TYR A 18 23.835 13.937 -25.301 1.00 1.02 H new ATOM 0 HE2 TYR A 18 25.957 10.246 -25.545 1.00 14.41 H new ATOM 0 HH TYR A 18 24.682 11.017 -27.177 1.00 62.31 H new ATOM 275 N VAL A 19 23.625 14.498 -19.950 1.00 3.32 N ATOM 276 CA VAL A 19 23.015 15.821 -19.882 1.00 30.31 C ATOM 277 C VAL A 19 21.869 15.846 -18.876 1.00 52.24 C ATOM 278 O VAL A 19 21.004 14.971 -18.884 1.00 40.31 O ATOM 279 CB VAL A 19 22.487 16.267 -21.258 1.00 4.33 C ATOM 280 CG1 VAL A 19 21.583 15.199 -21.855 1.00 63.03 C ATOM 281 CG2 VAL A 19 21.754 17.594 -21.141 1.00 44.35 C ATOM 0 H VAL A 19 23.078 13.758 -19.509 1.00 3.32 H new ATOM 0 HA VAL A 19 23.793 16.513 -19.559 1.00 30.31 H new ATOM 0 HB VAL A 19 23.336 16.405 -21.927 1.00 4.33 H new ATOM 0 HG11 VAL A 19 21.219 15.532 -22.827 1.00 63.03 H new ATOM 0 HG12 VAL A 19 22.145 14.273 -21.975 1.00 63.03 H new ATOM 0 HG13 VAL A 19 20.736 15.026 -21.191 1.00 63.03 H new ATOM 0 HG21 VAL A 19 21.387 17.895 -22.122 1.00 44.35 H new ATOM 0 HG22 VAL A 19 20.913 17.486 -20.457 1.00 44.35 H new ATOM 0 HG23 VAL A 19 22.436 18.354 -20.760 1.00 44.35 H new ATOM 291 N ASN A 20 21.868 16.857 -18.013 1.00 32.54 N ATOM 292 CA ASN A 20 20.828 16.996 -17.001 1.00 31.31 C ATOM 293 C ASN A 20 19.537 17.526 -17.617 1.00 72.13 C ATOM 294 O ASN A 20 19.043 18.587 -17.233 1.00 31.12 O ATOM 295 CB ASN A 20 21.295 17.933 -15.885 1.00 33.30 C ATOM 296 CG ASN A 20 21.807 19.257 -16.418 1.00 51.42 C ATOM 297 OD1 ASN A 20 21.532 19.627 -17.560 1.00 42.32 O ATOM 298 ND2 ASN A 20 22.556 19.978 -15.592 1.00 72.31 N ATOM 0 H ASN A 20 22.576 17.591 -17.995 1.00 32.54 H new ATOM 0 HA ASN A 20 20.631 16.010 -16.580 1.00 31.31 H new ATOM 0 HB2 ASN A 20 20.468 18.116 -15.198 1.00 33.30 H new ATOM 0 HB3 ASN A 20 22.084 17.446 -15.312 1.00 33.30 H new ATOM 0 HD21 ASN A 20 22.929 20.878 -15.895 1.00 72.31 H new ATOM 0 HD22 ASN A 20 22.759 19.632 -14.654 1.00 72.31 H new ATOM 305 N TRP A 21 18.996 16.781 -18.575 1.00 70.13 N ATOM 306 CA TRP A 21 17.762 17.176 -19.244 1.00 15.34 C ATOM 307 C TRP A 21 17.368 16.155 -20.306 1.00 35.10 C ATOM 308 O TRP A 21 16.491 15.321 -20.085 1.00 50.11 O ATOM 309 CB TRP A 21 17.922 18.557 -19.882 1.00 24.44 C ATOM 310 CG TRP A 21 16.847 18.882 -20.874 1.00 52.42 C ATOM 311 CD1 TRP A 21 15.502 18.911 -20.645 1.00 41.43 C ATOM 312 CD2 TRP A 21 17.029 19.221 -22.254 1.00 11.14 C ATOM 313 NE1 TRP A 21 14.835 19.248 -21.799 1.00 12.32 N ATOM 314 CE2 TRP A 21 15.749 19.444 -22.800 1.00 33.52 C ATOM 315 CE3 TRP A 21 18.147 19.359 -23.080 1.00 70.11 C ATOM 316 CZ2 TRP A 21 15.561 19.795 -24.133 1.00 62.24 C ATOM 317 CZ3 TRP A 21 17.959 19.708 -24.404 1.00 25.42 C ATOM 318 CH2 TRP A 21 16.674 19.924 -24.919 1.00 41.21 C ATOM 0 H TRP A 21 19.392 15.901 -18.905 1.00 70.13 H new ATOM 0 HA TRP A 21 16.971 17.219 -18.496 1.00 15.34 H new ATOM 0 HB2 TRP A 21 17.923 19.314 -19.097 1.00 24.44 H new ATOM 0 HB3 TRP A 21 18.891 18.610 -20.377 1.00 24.44 H new ATOM 0 HD1 TRP A 21 15.031 18.700 -19.696 1.00 41.43 H new ATOM 0 HE1 TRP A 21 13.823 19.338 -21.894 1.00 12.32 H new ATOM 0 HE3 TRP A 21 19.141 19.196 -22.691 1.00 70.11 H new ATOM 0 HZ2 TRP A 21 14.572 19.960 -24.533 1.00 62.24 H new ATOM 0 HZ3 TRP A 21 18.816 19.816 -25.052 1.00 25.42 H new ATOM 0 HH2 TRP A 21 16.559 20.198 -25.957 1.00 41.21 H new ATOM 329 N SER A 22 18.024 16.226 -21.461 1.00 72.21 N ATOM 330 CA SER A 22 17.740 15.310 -22.559 1.00 15.35 C ATOM 331 C SER A 22 16.240 15.068 -22.691 1.00 5.41 C ATOM 332 O SER A 22 15.801 13.952 -22.970 1.00 44.14 O ATOM 333 CB SER A 22 18.464 13.980 -22.342 1.00 33.31 C ATOM 334 OG SER A 22 19.059 13.522 -23.544 1.00 32.12 O ATOM 0 H SER A 22 18.755 16.909 -21.660 1.00 72.21 H new ATOM 0 HA SER A 22 18.100 15.766 -23.481 1.00 15.35 H new ATOM 0 HB2 SER A 22 19.230 14.100 -21.576 1.00 33.31 H new ATOM 0 HB3 SER A 22 17.759 13.234 -21.974 1.00 33.31 H new ATOM 0 HG SER A 22 18.360 13.341 -24.207 1.00 32.12 H new ATOM 340 N SER A 23 15.456 16.124 -22.487 1.00 32.44 N ATOM 341 CA SER A 23 14.005 16.026 -22.578 1.00 45.51 C ATOM 342 C SER A 23 13.461 15.027 -21.561 1.00 72.01 C ATOM 343 O SER A 23 13.513 13.816 -21.776 1.00 74.53 O ATOM 344 CB SER A 23 13.588 15.612 -23.990 1.00 0.30 C ATOM 345 OG SER A 23 12.981 16.691 -24.680 1.00 62.21 O ATOM 0 H SER A 23 15.803 17.056 -22.258 1.00 32.44 H new ATOM 0 HA SER A 23 13.586 17.007 -22.356 1.00 45.51 H new ATOM 0 HB2 SER A 23 14.461 15.267 -24.544 1.00 0.30 H new ATOM 0 HB3 SER A 23 12.893 14.774 -23.936 1.00 0.30 H new ATOM 0 HG SER A 23 12.725 16.401 -25.580 1.00 62.21 H new ATOM 351 N TYR A 24 12.940 15.544 -20.454 1.00 53.31 N ATOM 352 CA TYR A 24 12.388 14.697 -19.402 1.00 71.34 C ATOM 353 C TYR A 24 11.409 13.680 -19.979 1.00 33.32 C ATOM 354 O TYR A 24 10.801 13.891 -21.029 1.00 24.05 O ATOM 355 CB TYR A 24 11.689 15.553 -18.344 1.00 73.14 C ATOM 356 CG TYR A 24 12.634 16.428 -17.552 1.00 12.03 C ATOM 357 CD1 TYR A 24 13.794 15.904 -16.994 1.00 21.31 C ATOM 358 CD2 TYR A 24 12.367 17.778 -17.361 1.00 63.01 C ATOM 359 CE1 TYR A 24 14.659 16.699 -16.268 1.00 61.44 C ATOM 360 CE2 TYR A 24 13.227 18.582 -16.638 1.00 35.41 C ATOM 361 CZ TYR A 24 14.372 18.037 -16.093 1.00 41.12 C ATOM 362 OH TYR A 24 15.232 18.834 -15.372 1.00 33.21 O ATOM 0 H TYR A 24 12.888 16.544 -20.261 1.00 53.31 H new ATOM 0 HA TYR A 24 13.212 14.156 -18.936 1.00 71.34 H new ATOM 0 HB2 TYR A 24 10.946 16.184 -18.832 1.00 73.14 H new ATOM 0 HB3 TYR A 24 11.151 14.899 -17.657 1.00 73.14 H new ATOM 0 HD1 TYR A 24 14.023 14.857 -17.130 1.00 21.31 H new ATOM 0 HD2 TYR A 24 11.471 18.207 -17.785 1.00 63.01 H new ATOM 0 HE1 TYR A 24 15.555 16.275 -15.840 1.00 61.44 H new ATOM 0 HE2 TYR A 24 13.005 19.630 -16.500 1.00 35.41 H new ATOM 0 HH TYR A 24 14.884 19.750 -15.344 1.00 33.21 H new ATOM 372 N PRO A 25 11.251 12.549 -19.276 1.00 31.03 N ATOM 373 CA PRO A 25 10.345 11.475 -19.696 1.00 74.04 C ATOM 374 C PRO A 25 8.878 11.873 -19.573 1.00 15.20 C ATOM 375 O PRO A 25 8.539 12.822 -18.866 1.00 14.31 O ATOM 376 CB PRO A 25 10.673 10.335 -18.729 1.00 74.13 C ATOM 377 CG PRO A 25 11.219 11.010 -17.519 1.00 23.33 C ATOM 378 CD PRO A 25 11.943 12.231 -18.016 1.00 34.14 C ATOM 0 HA PRO A 25 10.481 11.214 -20.745 1.00 74.04 H new ATOM 0 HB2 PRO A 25 9.784 9.751 -18.489 1.00 74.13 H new ATOM 0 HB3 PRO A 25 11.400 9.647 -19.160 1.00 74.13 H new ATOM 0 HG2 PRO A 25 10.419 11.284 -16.831 1.00 23.33 H new ATOM 0 HG3 PRO A 25 11.895 10.350 -16.976 1.00 23.33 H new ATOM 0 HD2 PRO A 25 11.879 13.054 -17.304 1.00 34.14 H new ATOM 0 HD3 PRO A 25 13.002 12.032 -18.179 1.00 34.14 H new ATOM 386 N LYS A 26 8.012 11.141 -20.265 1.00 12.21 N ATOM 387 CA LYS A 26 6.580 11.416 -20.232 1.00 35.12 C ATOM 388 C LYS A 26 5.903 10.638 -19.108 1.00 0.35 C ATOM 389 O LYS A 26 6.446 9.654 -18.606 1.00 75.12 O ATOM 390 CB LYS A 26 5.940 11.054 -21.575 1.00 22.13 C ATOM 391 CG LYS A 26 6.224 12.060 -22.675 1.00 63.02 C ATOM 392 CD LYS A 26 6.352 11.385 -24.030 1.00 74.20 C ATOM 393 CE LYS A 26 7.661 11.750 -24.714 1.00 32.55 C ATOM 394 NZ LYS A 26 7.595 11.542 -26.186 1.00 12.23 N ATOM 0 H LYS A 26 8.276 10.353 -20.856 1.00 12.21 H new ATOM 0 HA LYS A 26 6.443 12.481 -20.046 1.00 35.12 H new ATOM 0 HB2 LYS A 26 6.302 10.075 -21.888 1.00 22.13 H new ATOM 0 HB3 LYS A 26 4.862 10.968 -21.442 1.00 22.13 H new ATOM 0 HG2 LYS A 26 5.423 12.798 -22.710 1.00 63.02 H new ATOM 0 HG3 LYS A 26 7.144 12.599 -22.448 1.00 63.02 H new ATOM 0 HD2 LYS A 26 6.295 10.304 -23.906 1.00 74.20 H new ATOM 0 HD3 LYS A 26 5.515 11.678 -24.664 1.00 74.20 H new ATOM 0 HE2 LYS A 26 7.901 12.792 -24.505 1.00 32.55 H new ATOM 0 HE3 LYS A 26 8.468 11.147 -24.298 1.00 32.55 H new ATOM 0 HZ1 LYS A 26 8.506 11.802 -26.615 1.00 12.23 H new ATOM 0 HZ2 LYS A 26 7.391 10.542 -26.387 1.00 12.23 H new ATOM 0 HZ3 LYS A 26 6.842 12.136 -26.587 1.00 12.23 H new ATOM 408 N TYR A 27 4.714 11.085 -18.718 1.00 51.14 N ATOM 409 CA TYR A 27 3.963 10.432 -17.653 1.00 32.54 C ATOM 410 C TYR A 27 3.875 8.928 -17.893 1.00 4.04 C ATOM 411 O TYR A 27 3.330 8.481 -18.902 1.00 31.24 O ATOM 412 CB TYR A 27 2.558 11.027 -17.551 1.00 52.14 C ATOM 413 CG TYR A 27 1.477 9.994 -17.334 1.00 1.20 C ATOM 414 CD1 TYR A 27 1.366 9.319 -16.124 1.00 43.22 C ATOM 415 CD2 TYR A 27 0.565 9.691 -18.339 1.00 34.33 C ATOM 416 CE1 TYR A 27 0.381 8.373 -15.922 1.00 4.44 C ATOM 417 CE2 TYR A 27 -0.424 8.747 -18.144 1.00 21.13 C ATOM 418 CZ TYR A 27 -0.514 8.092 -16.934 1.00 35.20 C ATOM 419 OH TYR A 27 -1.497 7.150 -16.737 1.00 2.41 O ATOM 0 H TYR A 27 4.250 11.897 -19.124 1.00 51.14 H new ATOM 0 HA TYR A 27 4.490 10.602 -16.714 1.00 32.54 H new ATOM 0 HB2 TYR A 27 2.535 11.743 -16.729 1.00 52.14 H new ATOM 0 HB3 TYR A 27 2.341 11.582 -18.464 1.00 52.14 H new ATOM 0 HD1 TYR A 27 2.062 9.538 -15.328 1.00 43.22 H new ATOM 0 HD2 TYR A 27 0.631 10.202 -19.288 1.00 34.33 H new ATOM 0 HE1 TYR A 27 0.311 7.855 -14.977 1.00 4.44 H new ATOM 0 HE2 TYR A 27 -1.124 8.523 -18.936 1.00 21.13 H new ATOM 0 HH TYR A 27 -2.043 7.073 -17.547 1.00 2.41 H new ATOM 429 N GLU A 28 4.413 8.153 -16.956 1.00 52.23 N ATOM 430 CA GLU A 28 4.394 6.699 -17.065 1.00 74.40 C ATOM 431 C GLU A 28 3.663 6.074 -15.880 1.00 50.44 C ATOM 432 O GLU A 28 4.156 6.056 -14.753 1.00 72.33 O ATOM 433 CB GLU A 28 5.822 6.153 -17.142 1.00 42.31 C ATOM 434 CG GLU A 28 6.006 5.078 -18.199 1.00 11.30 C ATOM 435 CD GLU A 28 6.852 3.917 -17.710 1.00 63.34 C ATOM 436 OE1 GLU A 28 6.293 3.009 -17.062 1.00 31.12 O ATOM 437 OE2 GLU A 28 8.072 3.919 -17.976 1.00 23.11 O ATOM 0 H GLU A 28 4.867 8.507 -16.114 1.00 52.23 H new ATOM 0 HA GLU A 28 3.861 6.436 -17.979 1.00 74.40 H new ATOM 0 HB2 GLU A 28 6.506 6.976 -17.350 1.00 42.31 H new ATOM 0 HB3 GLU A 28 6.099 5.746 -16.170 1.00 42.31 H new ATOM 0 HG2 GLU A 28 5.029 4.706 -18.507 1.00 11.30 H new ATOM 0 HG3 GLU A 28 6.473 5.517 -19.081 1.00 11.30 H new ATOM 444 N PRO A 29 2.456 5.549 -16.141 1.00 62.43 N ATOM 445 CA PRO A 29 1.630 4.914 -15.110 1.00 14.31 C ATOM 446 C PRO A 29 2.213 3.586 -14.637 1.00 42.04 C ATOM 447 O PRO A 29 2.523 2.711 -15.443 1.00 14.42 O ATOM 448 CB PRO A 29 0.292 4.687 -15.818 1.00 44.40 C ATOM 449 CG PRO A 29 0.637 4.611 -17.266 1.00 14.22 C ATOM 450 CD PRO A 29 1.806 5.536 -17.463 1.00 31.42 C ATOM 0 HA PRO A 29 1.555 5.528 -14.213 1.00 14.31 H new ATOM 0 HB2 PRO A 29 -0.186 3.769 -15.476 1.00 44.40 H new ATOM 0 HB3 PRO A 29 -0.404 5.502 -15.619 1.00 44.40 H new ATOM 0 HG2 PRO A 29 0.894 3.591 -17.553 1.00 14.22 H new ATOM 0 HG3 PRO A 29 -0.208 4.913 -17.885 1.00 14.22 H new ATOM 0 HD2 PRO A 29 2.480 5.173 -18.239 1.00 31.42 H new ATOM 0 HD3 PRO A 29 1.484 6.533 -17.762 1.00 31.42 H new ATOM 458 N GLY A 30 2.360 3.445 -13.323 1.00 31.13 N ATOM 459 CA GLY A 30 2.905 2.222 -12.766 1.00 20.42 C ATOM 460 C GLY A 30 4.324 2.396 -12.261 1.00 24.44 C ATOM 461 O GLY A 30 5.071 1.426 -12.134 1.00 50.23 O ATOM 0 H GLY A 30 2.111 4.156 -12.635 1.00 31.13 H new ATOM 0 HA2 GLY A 30 2.270 1.885 -11.947 1.00 20.42 H new ATOM 0 HA3 GLY A 30 2.886 1.441 -13.526 1.00 20.42 H new ATOM 465 N LYS A 31 4.699 3.639 -11.972 1.00 34.43 N ATOM 466 CA LYS A 31 6.037 3.938 -11.478 1.00 42.14 C ATOM 467 C LYS A 31 5.996 5.049 -10.433 1.00 12.12 C ATOM 468 O LYS A 31 5.612 6.179 -10.731 1.00 41.41 O ATOM 469 CB LYS A 31 6.951 4.348 -12.636 1.00 45.42 C ATOM 470 CG LYS A 31 8.180 5.124 -12.196 1.00 31.32 C ATOM 471 CD LYS A 31 9.377 4.819 -13.080 1.00 71.52 C ATOM 472 CE LYS A 31 10.540 4.265 -12.272 1.00 63.34 C ATOM 473 NZ LYS A 31 11.699 3.909 -13.138 1.00 40.31 N ATOM 0 H LYS A 31 4.094 4.454 -12.072 1.00 34.43 H new ATOM 0 HA LYS A 31 6.434 3.037 -11.010 1.00 42.14 H new ATOM 0 HB2 LYS A 31 7.269 3.453 -13.171 1.00 45.42 H new ATOM 0 HB3 LYS A 31 6.381 4.955 -13.340 1.00 45.42 H new ATOM 0 HG2 LYS A 31 7.967 6.193 -12.226 1.00 31.32 H new ATOM 0 HG3 LYS A 31 8.418 4.875 -11.162 1.00 31.32 H new ATOM 0 HD2 LYS A 31 9.090 4.100 -13.847 1.00 71.52 H new ATOM 0 HD3 LYS A 31 9.691 5.727 -13.596 1.00 71.52 H new ATOM 0 HE2 LYS A 31 10.852 5.003 -11.533 1.00 63.34 H new ATOM 0 HE3 LYS A 31 10.213 3.382 -11.723 1.00 63.34 H new ATOM 0 HZ1 LYS A 31 12.470 3.535 -12.549 1.00 40.31 H new ATOM 0 HZ2 LYS A 31 11.408 3.186 -13.827 1.00 40.31 H new ATOM 0 HZ3 LYS A 31 12.028 4.756 -13.643 1.00 40.31 H new ATOM 487 N GLU A 32 6.394 4.718 -9.209 1.00 23.52 N ATOM 488 CA GLU A 32 6.402 5.689 -8.120 1.00 10.21 C ATOM 489 C GLU A 32 7.062 6.993 -8.559 1.00 54.01 C ATOM 490 O GLU A 32 8.006 6.989 -9.350 1.00 33.32 O ATOM 491 CB GLU A 32 7.133 5.119 -6.903 1.00 54.42 C ATOM 492 CG GLU A 32 8.646 5.123 -7.045 1.00 51.30 C ATOM 493 CD GLU A 32 9.278 3.820 -6.595 1.00 55.31 C ATOM 494 OE1 GLU A 32 9.618 3.706 -5.399 1.00 12.35 O ATOM 495 OE2 GLU A 32 9.431 2.913 -7.441 1.00 61.53 O ATOM 0 H GLU A 32 6.715 3.786 -8.946 1.00 23.52 H new ATOM 0 HA GLU A 32 5.368 5.899 -7.847 1.00 10.21 H new ATOM 0 HB2 GLU A 32 6.858 5.697 -6.021 1.00 54.42 H new ATOM 0 HB3 GLU A 32 6.795 4.097 -6.733 1.00 54.42 H new ATOM 0 HG2 GLU A 32 8.909 5.309 -8.086 1.00 51.30 H new ATOM 0 HG3 GLU A 32 9.060 5.944 -6.460 1.00 51.30 H new ATOM 502 N TYR A 33 6.559 8.108 -8.041 1.00 15.34 N ATOM 503 CA TYR A 33 7.097 9.419 -8.382 1.00 24.12 C ATOM 504 C TYR A 33 7.404 10.225 -7.122 1.00 53.41 C ATOM 505 O TYR A 33 6.498 10.650 -6.408 1.00 40.21 O ATOM 506 CB TYR A 33 6.109 10.186 -9.262 1.00 40.20 C ATOM 507 CG TYR A 33 5.997 9.637 -10.667 1.00 61.41 C ATOM 508 CD1 TYR A 33 7.019 9.821 -11.589 1.00 72.33 C ATOM 509 CD2 TYR A 33 4.869 8.932 -11.070 1.00 22.21 C ATOM 510 CE1 TYR A 33 6.921 9.322 -12.873 1.00 51.24 C ATOM 511 CE2 TYR A 33 4.763 8.428 -12.352 1.00 74.40 C ATOM 512 CZ TYR A 33 5.791 8.626 -13.250 1.00 30.04 C ATOM 513 OH TYR A 33 5.690 8.125 -14.528 1.00 21.03 O ATOM 0 H TYR A 33 5.780 8.130 -7.383 1.00 15.34 H new ATOM 0 HA TYR A 33 8.025 9.271 -8.934 1.00 24.12 H new ATOM 0 HB2 TYR A 33 5.125 10.165 -8.793 1.00 40.20 H new ATOM 0 HB3 TYR A 33 6.415 11.231 -9.312 1.00 40.20 H new ATOM 0 HD1 TYR A 33 7.906 10.364 -11.297 1.00 72.33 H new ATOM 0 HD2 TYR A 33 4.062 8.776 -10.369 1.00 22.21 H new ATOM 0 HE1 TYR A 33 7.724 9.476 -13.578 1.00 51.24 H new ATOM 0 HE2 TYR A 33 3.880 7.882 -12.649 1.00 74.40 H new ATOM 0 HH TYR A 33 5.377 7.197 -14.492 1.00 21.03 H new ATOM 523 N ASN A 34 8.690 10.431 -6.859 1.00 74.21 N ATOM 524 CA ASN A 34 9.119 11.185 -5.687 1.00 31.10 C ATOM 525 C ASN A 34 8.948 12.684 -5.913 1.00 3.24 C ATOM 526 O ASN A 34 8.754 13.134 -7.041 1.00 15.50 O ATOM 527 CB ASN A 34 10.581 10.872 -5.359 1.00 53.34 C ATOM 528 CG ASN A 34 10.810 9.396 -5.096 1.00 31.13 C ATOM 529 OD1 ASN A 34 9.874 8.597 -5.118 1.00 41.02 O ATOM 530 ND2 ASN A 34 12.062 9.028 -4.845 1.00 3.34 N ATOM 0 H ASN A 34 9.453 10.086 -7.441 1.00 74.21 H new ATOM 0 HA ASN A 34 8.493 10.887 -4.846 1.00 31.10 H new ATOM 0 HB2 ASN A 34 11.213 11.193 -6.187 1.00 53.34 H new ATOM 0 HB3 ASN A 34 10.885 11.446 -4.484 1.00 53.34 H new ATOM 0 HD21 ASN A 34 12.278 8.048 -4.660 1.00 3.34 H new ATOM 0 HD22 ASN A 34 12.807 9.725 -4.837 1.00 3.34 H new ATOM 537 N GLN A 35 9.021 13.452 -4.830 1.00 41.42 N ATOM 538 CA GLN A 35 8.873 14.901 -4.910 1.00 13.43 C ATOM 539 C GLN A 35 9.925 15.505 -5.834 1.00 1.11 C ATOM 540 O GLN A 35 11.093 15.121 -5.796 1.00 23.12 O ATOM 541 CB GLN A 35 8.982 15.523 -3.517 1.00 63.45 C ATOM 542 CG GLN A 35 10.415 15.696 -3.039 1.00 13.33 C ATOM 543 CD GLN A 35 10.497 16.261 -1.635 1.00 72.11 C ATOM 544 OE1 GLN A 35 10.902 17.407 -1.437 1.00 52.50 O ATOM 545 NE2 GLN A 35 10.113 15.458 -0.649 1.00 44.33 N ATOM 0 H GLN A 35 9.182 13.095 -3.888 1.00 41.42 H new ATOM 0 HA GLN A 35 7.887 15.119 -5.321 1.00 13.43 H new ATOM 0 HB2 GLN A 35 8.490 16.495 -3.523 1.00 63.45 H new ATOM 0 HB3 GLN A 35 8.443 14.897 -2.805 1.00 63.45 H new ATOM 0 HG2 GLN A 35 10.923 14.732 -3.069 1.00 13.33 H new ATOM 0 HG3 GLN A 35 10.945 16.357 -3.724 1.00 13.33 H new ATOM 0 HE21 GLN A 35 9.784 14.515 -0.858 1.00 44.33 H new ATOM 0 HE22 GLN A 35 10.147 15.784 0.317 1.00 44.33 H new ATOM 554 N GLY A 36 9.502 16.452 -6.666 1.00 1.11 N ATOM 555 CA GLY A 36 10.420 17.094 -7.588 1.00 10.23 C ATOM 556 C GLY A 36 10.425 16.434 -8.953 1.00 43.00 C ATOM 557 O GLY A 36 10.831 17.043 -9.943 1.00 45.54 O ATOM 0 H GLY A 36 8.540 16.786 -6.718 1.00 1.11 H new ATOM 0 HA2 GLY A 36 10.147 18.144 -7.696 1.00 10.23 H new ATOM 0 HA3 GLY A 36 11.427 17.068 -7.171 1.00 10.23 H new ATOM 561 N ASP A 37 9.976 15.186 -9.007 1.00 24.03 N ATOM 562 CA ASP A 37 9.931 14.442 -10.260 1.00 52.42 C ATOM 563 C ASP A 37 9.068 15.165 -11.290 1.00 1.34 C ATOM 564 O ASP A 37 7.941 15.568 -10.997 1.00 74.04 O ATOM 565 CB ASP A 37 9.389 13.031 -10.023 1.00 64.51 C ATOM 566 CG ASP A 37 10.436 12.100 -9.442 1.00 44.41 C ATOM 567 OD1 ASP A 37 11.589 12.544 -9.260 1.00 12.04 O ATOM 568 OD2 ASP A 37 10.101 10.928 -9.169 1.00 65.03 O ATOM 0 H ASP A 37 9.637 14.667 -8.197 1.00 24.03 H new ATOM 0 HA ASP A 37 10.947 14.371 -10.648 1.00 52.42 H new ATOM 0 HB2 ASP A 37 8.536 13.081 -9.347 1.00 64.51 H new ATOM 0 HB3 ASP A 37 9.025 12.621 -10.965 1.00 64.51 H new ATOM 573 N ILE A 38 9.603 15.326 -12.496 1.00 33.33 N ATOM 574 CA ILE A 38 8.882 15.999 -13.568 1.00 21.21 C ATOM 575 C ILE A 38 8.684 15.074 -14.763 1.00 14.43 C ATOM 576 O ILE A 38 9.618 14.402 -15.204 1.00 1.01 O ATOM 577 CB ILE A 38 9.620 17.268 -14.033 1.00 25.15 C ATOM 578 CG1 ILE A 38 9.775 18.249 -12.868 1.00 32.41 C ATOM 579 CG2 ILE A 38 8.875 17.922 -15.186 1.00 0.41 C ATOM 580 CD1 ILE A 38 10.635 19.448 -13.199 1.00 63.14 C ATOM 0 H ILE A 38 10.534 14.999 -12.755 1.00 33.33 H new ATOM 0 HA ILE A 38 7.909 16.281 -13.165 1.00 21.21 H new ATOM 0 HB ILE A 38 10.613 16.986 -14.382 1.00 25.15 H new ATOM 0 HG12 ILE A 38 8.788 18.594 -12.560 1.00 32.41 H new ATOM 0 HG13 ILE A 38 10.209 17.724 -12.017 1.00 32.41 H new ATOM 0 HG21 ILE A 38 9.409 18.818 -15.503 1.00 0.41 H new ATOM 0 HG22 ILE A 38 8.810 17.223 -16.020 1.00 0.41 H new ATOM 0 HG23 ILE A 38 7.870 18.194 -14.862 1.00 0.41 H new ATOM 0 HD11 ILE A 38 10.701 20.100 -12.328 1.00 63.14 H new ATOM 0 HD12 ILE A 38 11.634 19.113 -13.478 1.00 63.14 H new ATOM 0 HD13 ILE A 38 10.191 19.996 -14.030 1.00 63.14 H new ATOM 592 N VAL A 39 7.462 15.044 -15.287 1.00 61.12 N ATOM 593 CA VAL A 39 7.142 14.204 -16.435 1.00 34.54 C ATOM 594 C VAL A 39 6.298 14.962 -17.453 1.00 73.30 C ATOM 595 O VAL A 39 5.510 15.834 -17.092 1.00 1.30 O ATOM 596 CB VAL A 39 6.388 12.931 -16.005 1.00 4.52 C ATOM 597 CG1 VAL A 39 7.111 12.242 -14.858 1.00 73.43 C ATOM 598 CG2 VAL A 39 4.956 13.268 -15.616 1.00 24.02 C ATOM 0 H VAL A 39 6.677 15.592 -14.934 1.00 61.12 H new ATOM 0 HA VAL A 39 8.089 13.920 -16.893 1.00 34.54 H new ATOM 0 HB VAL A 39 6.361 12.243 -16.850 1.00 4.52 H new ATOM 0 HG11 VAL A 39 6.563 11.345 -14.569 1.00 73.43 H new ATOM 0 HG12 VAL A 39 8.117 11.966 -15.175 1.00 73.43 H new ATOM 0 HG13 VAL A 39 7.172 12.920 -14.007 1.00 73.43 H new ATOM 0 HG21 VAL A 39 4.437 12.358 -15.315 1.00 24.02 H new ATOM 0 HG22 VAL A 39 4.961 13.974 -14.786 1.00 24.02 H new ATOM 0 HG23 VAL A 39 4.443 13.713 -16.468 1.00 24.02 H new ATOM 608 N GLU A 40 6.472 14.622 -18.727 1.00 62.42 N ATOM 609 CA GLU A 40 5.726 15.273 -19.797 1.00 54.43 C ATOM 610 C GLU A 40 4.374 14.597 -20.007 1.00 51.14 C ATOM 611 O GLU A 40 4.293 13.376 -20.145 1.00 41.05 O ATOM 612 CB GLU A 40 6.531 15.244 -21.099 1.00 21.02 C ATOM 613 CG GLU A 40 5.753 15.741 -22.307 1.00 24.31 C ATOM 614 CD GLU A 40 6.556 15.665 -23.591 1.00 25.55 C ATOM 615 OE1 GLU A 40 7.558 16.400 -23.708 1.00 73.42 O ATOM 616 OE2 GLU A 40 6.183 14.869 -24.477 1.00 2.15 O ATOM 0 H GLU A 40 7.121 13.901 -19.042 1.00 62.42 H new ATOM 0 HA GLU A 40 5.553 16.309 -19.507 1.00 54.43 H new ATOM 0 HB2 GLU A 40 7.425 15.855 -20.977 1.00 21.02 H new ATOM 0 HB3 GLU A 40 6.865 14.224 -21.287 1.00 21.02 H new ATOM 0 HG2 GLU A 40 4.843 15.150 -22.416 1.00 24.31 H new ATOM 0 HG3 GLU A 40 5.445 16.772 -22.136 1.00 24.31 H new ATOM 623 N TYR A 41 3.316 15.400 -20.030 1.00 14.02 N ATOM 624 CA TYR A 41 1.967 14.879 -20.220 1.00 22.20 C ATOM 625 C TYR A 41 1.188 15.736 -21.213 1.00 24.40 C ATOM 626 O TYR A 41 0.854 16.886 -20.930 1.00 4.44 O ATOM 627 CB TYR A 41 1.225 14.827 -18.883 1.00 22.22 C ATOM 628 CG TYR A 41 -0.161 14.232 -18.982 1.00 70.41 C ATOM 629 CD1 TYR A 41 -0.347 12.856 -19.016 1.00 60.04 C ATOM 630 CD2 TYR A 41 -1.285 15.047 -19.040 1.00 15.31 C ATOM 631 CE1 TYR A 41 -1.612 12.308 -19.109 1.00 21.22 C ATOM 632 CE2 TYR A 41 -2.554 14.508 -19.131 1.00 31.44 C ATOM 633 CZ TYR A 41 -2.712 13.138 -19.165 1.00 22.22 C ATOM 634 OH TYR A 41 -3.974 12.596 -19.255 1.00 34.52 O ATOM 0 H TYR A 41 3.366 16.413 -19.920 1.00 14.02 H new ATOM 0 HA TYR A 41 2.048 13.869 -20.623 1.00 22.20 H new ATOM 0 HB2 TYR A 41 1.812 14.243 -18.174 1.00 22.22 H new ATOM 0 HB3 TYR A 41 1.150 15.837 -18.479 1.00 22.22 H new ATOM 0 HD1 TYR A 41 0.512 12.203 -18.969 1.00 60.04 H new ATOM 0 HD2 TYR A 41 -1.165 16.120 -19.013 1.00 15.31 H new ATOM 0 HE1 TYR A 41 -1.739 11.236 -19.138 1.00 21.22 H new ATOM 0 HE2 TYR A 41 -3.417 15.156 -19.175 1.00 31.44 H new ATOM 0 HH TYR A 41 -4.638 13.316 -19.284 1.00 34.52 H new ATOM 644 N ASN A 42 0.901 15.166 -22.378 1.00 75.02 N ATOM 645 CA ASN A 42 0.161 15.876 -23.415 1.00 55.34 C ATOM 646 C ASN A 42 0.834 17.203 -23.753 1.00 11.03 C ATOM 647 O ASN A 42 0.178 18.239 -23.841 1.00 22.52 O ATOM 648 CB ASN A 42 -1.280 16.122 -22.965 1.00 62.51 C ATOM 649 CG ASN A 42 -2.266 16.050 -24.114 1.00 53.44 C ATOM 650 OD1 ASN A 42 -1.920 16.333 -25.262 1.00 13.34 O ATOM 651 ND2 ASN A 42 -3.502 15.670 -23.811 1.00 70.50 N ATOM 0 H ASN A 42 1.169 14.214 -22.628 1.00 75.02 H new ATOM 0 HA ASN A 42 0.154 15.255 -24.311 1.00 55.34 H new ATOM 0 HB2 ASN A 42 -1.552 15.385 -22.210 1.00 62.51 H new ATOM 0 HB3 ASN A 42 -1.348 17.102 -22.493 1.00 62.51 H new ATOM 0 HD21 ASN A 42 -4.209 15.603 -24.543 1.00 70.50 H new ATOM 0 HD22 ASN A 42 -3.744 15.445 -22.846 1.00 70.50 H new ATOM 658 N GLY A 43 2.150 17.161 -23.942 1.00 42.40 N ATOM 659 CA GLY A 43 2.891 18.366 -24.268 1.00 4.24 C ATOM 660 C GLY A 43 2.982 19.324 -23.098 1.00 24.12 C ATOM 661 O GLY A 43 3.253 20.512 -23.277 1.00 71.24 O ATOM 0 H GLY A 43 2.716 16.315 -23.875 1.00 42.40 H new ATOM 0 HA2 GLY A 43 3.896 18.095 -24.591 1.00 4.24 H new ATOM 0 HA3 GLY A 43 2.411 18.868 -25.108 1.00 4.24 H new ATOM 665 N LYS A 44 2.754 18.810 -21.894 1.00 62.22 N ATOM 666 CA LYS A 44 2.811 19.628 -20.688 1.00 21.10 C ATOM 667 C LYS A 44 3.952 19.179 -19.780 1.00 1.12 C ATOM 668 O LYS A 44 4.720 18.282 -20.129 1.00 32.42 O ATOM 669 CB LYS A 44 1.483 19.552 -19.932 1.00 2.24 C ATOM 670 CG LYS A 44 1.000 20.896 -19.415 1.00 1.25 C ATOM 671 CD LYS A 44 -0.480 21.101 -19.692 1.00 70.02 C ATOM 672 CE LYS A 44 -1.156 21.873 -18.570 1.00 64.53 C ATOM 673 NZ LYS A 44 -1.284 23.321 -18.893 1.00 5.15 N ATOM 0 H LYS A 44 2.528 17.829 -21.727 1.00 62.22 H new ATOM 0 HA LYS A 44 2.993 20.660 -20.987 1.00 21.10 H new ATOM 0 HB2 LYS A 44 0.723 19.131 -20.590 1.00 2.24 H new ATOM 0 HB3 LYS A 44 1.592 18.867 -19.092 1.00 2.24 H new ATOM 0 HG2 LYS A 44 1.183 20.961 -18.342 1.00 1.25 H new ATOM 0 HG3 LYS A 44 1.573 21.695 -19.885 1.00 1.25 H new ATOM 0 HD2 LYS A 44 -0.604 21.640 -20.632 1.00 70.02 H new ATOM 0 HD3 LYS A 44 -0.966 20.133 -19.813 1.00 70.02 H new ATOM 0 HE2 LYS A 44 -2.145 21.453 -18.385 1.00 64.53 H new ATOM 0 HE3 LYS A 44 -0.582 21.755 -17.651 1.00 64.53 H new ATOM 0 HZ1 LYS A 44 -2.099 23.719 -18.384 1.00 5.15 H new ATOM 0 HZ2 LYS A 44 -0.418 23.819 -18.604 1.00 5.15 H new ATOM 0 HZ3 LYS A 44 -1.424 23.437 -19.917 1.00 5.15 H new ATOM 687 N LEU A 45 4.055 19.806 -18.614 1.00 10.01 N ATOM 688 CA LEU A 45 5.101 19.470 -17.654 1.00 15.13 C ATOM 689 C LEU A 45 4.607 19.654 -16.222 1.00 40.33 C ATOM 690 O LEU A 45 4.369 20.778 -15.777 1.00 54.52 O ATOM 691 CB LEU A 45 6.339 20.336 -17.894 1.00 12.43 C ATOM 692 CG LEU A 45 7.359 19.787 -18.892 1.00 32.24 C ATOM 693 CD1 LEU A 45 8.521 20.755 -19.055 1.00 12.11 C ATOM 694 CD2 LEU A 45 7.860 18.420 -18.445 1.00 42.13 C ATOM 0 H LEU A 45 3.427 20.550 -18.310 1.00 10.01 H new ATOM 0 HA LEU A 45 5.365 18.422 -17.795 1.00 15.13 H new ATOM 0 HB2 LEU A 45 6.011 21.315 -18.242 1.00 12.43 H new ATOM 0 HB3 LEU A 45 6.841 20.489 -16.939 1.00 12.43 H new ATOM 0 HG LEU A 45 6.868 19.674 -19.859 1.00 32.24 H new ATOM 0 HD11 LEU A 45 9.237 20.347 -19.769 1.00 12.11 H new ATOM 0 HD12 LEU A 45 8.149 21.712 -19.421 1.00 12.11 H new ATOM 0 HD13 LEU A 45 9.011 20.900 -18.092 1.00 12.11 H new ATOM 0 HD21 LEU A 45 8.585 18.044 -19.167 1.00 42.13 H new ATOM 0 HD22 LEU A 45 8.334 18.508 -17.467 1.00 42.13 H new ATOM 0 HD23 LEU A 45 7.020 17.728 -18.380 1.00 42.13 H new ATOM 706 N TYR A 46 4.457 18.546 -15.507 1.00 21.31 N ATOM 707 CA TYR A 46 3.991 18.585 -14.125 1.00 71.32 C ATOM 708 C TYR A 46 5.082 18.113 -13.169 1.00 62.22 C ATOM 709 O TYR A 46 5.963 17.339 -13.545 1.00 41.30 O ATOM 710 CB TYR A 46 2.743 17.718 -13.962 1.00 24.15 C ATOM 711 CG TYR A 46 1.589 18.144 -14.840 1.00 54.54 C ATOM 712 CD1 TYR A 46 0.707 19.136 -14.430 1.00 51.24 C ATOM 713 CD2 TYR A 46 1.381 17.554 -16.082 1.00 20.14 C ATOM 714 CE1 TYR A 46 -0.348 19.528 -15.231 1.00 11.43 C ATOM 715 CE2 TYR A 46 0.329 17.940 -16.888 1.00 42.05 C ATOM 716 CZ TYR A 46 -0.533 18.927 -16.459 1.00 45.53 C ATOM 717 OH TYR A 46 -1.583 19.315 -17.260 1.00 31.04 O ATOM 0 H TYR A 46 4.651 17.609 -15.860 1.00 21.31 H new ATOM 0 HA TYR A 46 3.742 19.618 -13.881 1.00 71.32 H new ATOM 0 HB2 TYR A 46 2.998 16.683 -14.189 1.00 24.15 H new ATOM 0 HB3 TYR A 46 2.425 17.747 -12.920 1.00 24.15 H new ATOM 0 HD1 TYR A 46 0.848 19.608 -13.469 1.00 51.24 H new ATOM 0 HD2 TYR A 46 2.054 16.781 -16.422 1.00 20.14 H new ATOM 0 HE1 TYR A 46 -1.025 20.301 -14.898 1.00 11.43 H new ATOM 0 HE2 TYR A 46 0.182 17.471 -17.850 1.00 42.05 H new ATOM 0 HH TYR A 46 -1.571 18.795 -18.090 1.00 31.04 H new ATOM 727 N LYS A 47 5.018 18.585 -11.928 1.00 15.32 N ATOM 728 CA LYS A 47 5.997 18.210 -10.915 1.00 62.14 C ATOM 729 C LYS A 47 5.306 17.760 -9.631 1.00 63.25 C ATOM 730 O LYS A 47 4.570 18.527 -9.010 1.00 13.41 O ATOM 731 CB LYS A 47 6.930 19.387 -10.619 1.00 45.11 C ATOM 732 CG LYS A 47 7.951 19.096 -9.533 1.00 4.42 C ATOM 733 CD LYS A 47 9.247 19.854 -9.768 1.00 3.30 C ATOM 734 CE LYS A 47 9.204 21.238 -9.139 1.00 42.43 C ATOM 735 NZ LYS A 47 9.480 21.193 -7.677 1.00 34.21 N ATOM 0 H LYS A 47 4.298 19.228 -11.600 1.00 15.32 H new ATOM 0 HA LYS A 47 6.584 17.377 -11.302 1.00 62.14 H new ATOM 0 HB2 LYS A 47 7.454 19.663 -11.534 1.00 45.11 H new ATOM 0 HB3 LYS A 47 6.332 20.248 -10.322 1.00 45.11 H new ATOM 0 HG2 LYS A 47 7.539 19.371 -8.562 1.00 4.42 H new ATOM 0 HG3 LYS A 47 8.155 18.026 -9.502 1.00 4.42 H new ATOM 0 HD2 LYS A 47 10.081 19.289 -9.351 1.00 3.30 H new ATOM 0 HD3 LYS A 47 9.428 19.945 -10.839 1.00 3.30 H new ATOM 0 HE2 LYS A 47 9.936 21.881 -9.627 1.00 42.43 H new ATOM 0 HE3 LYS A 47 8.224 21.684 -9.310 1.00 42.43 H new ATOM 0 HZ1 LYS A 47 9.441 22.156 -7.287 1.00 34.21 H new ATOM 0 HZ2 LYS A 47 8.766 20.600 -7.207 1.00 34.21 H new ATOM 0 HZ3 LYS A 47 10.425 20.791 -7.514 1.00 34.21 H new ATOM 749 N ALA A 48 5.551 16.515 -9.239 1.00 13.31 N ATOM 750 CA ALA A 48 4.956 15.965 -8.028 1.00 32.14 C ATOM 751 C ALA A 48 5.433 16.718 -6.791 1.00 11.13 C ATOM 752 O ALA A 48 6.617 16.694 -6.454 1.00 71.11 O ATOM 753 CB ALA A 48 5.283 14.484 -7.904 1.00 12.30 C ATOM 0 H ALA A 48 6.158 15.868 -9.743 1.00 13.31 H new ATOM 0 HA ALA A 48 3.875 16.083 -8.099 1.00 32.14 H new ATOM 0 HB1 ALA A 48 4.832 14.087 -6.995 1.00 12.30 H new ATOM 0 HB2 ALA A 48 4.887 13.950 -8.768 1.00 12.30 H new ATOM 0 HB3 ALA A 48 6.364 14.353 -7.860 1.00 12.30 H new ATOM 759 N LYS A 49 4.504 17.387 -6.117 1.00 23.31 N ATOM 760 CA LYS A 49 4.829 18.148 -4.916 1.00 3.42 C ATOM 761 C LYS A 49 5.516 17.264 -3.881 1.00 41.30 C ATOM 762 O LYS A 49 6.539 17.642 -3.308 1.00 13.53 O ATOM 763 CB LYS A 49 3.560 18.762 -4.318 1.00 20.54 C ATOM 764 CG LYS A 49 2.688 19.470 -5.338 1.00 64.01 C ATOM 765 CD LYS A 49 1.903 20.608 -4.707 1.00 24.20 C ATOM 766 CE LYS A 49 1.911 21.848 -5.588 1.00 21.55 C ATOM 767 NZ LYS A 49 1.419 23.050 -4.859 1.00 12.34 N ATOM 0 H LYS A 49 3.519 17.418 -6.382 1.00 23.31 H new ATOM 0 HA LYS A 49 5.515 18.947 -5.197 1.00 3.42 H new ATOM 0 HB2 LYS A 49 2.977 17.976 -3.838 1.00 20.54 H new ATOM 0 HB3 LYS A 49 3.842 19.471 -3.539 1.00 20.54 H new ATOM 0 HG2 LYS A 49 3.311 19.859 -6.143 1.00 64.01 H new ATOM 0 HG3 LYS A 49 1.998 18.755 -5.786 1.00 64.01 H new ATOM 0 HD2 LYS A 49 0.875 20.290 -4.534 1.00 24.20 H new ATOM 0 HD3 LYS A 49 2.330 20.850 -3.734 1.00 24.20 H new ATOM 0 HE2 LYS A 49 2.923 22.031 -5.948 1.00 21.55 H new ATOM 0 HE3 LYS A 49 1.287 21.674 -6.465 1.00 21.55 H new ATOM 0 HZ1 LYS A 49 1.440 23.874 -5.494 1.00 12.34 H new ATOM 0 HZ2 LYS A 49 0.444 22.886 -4.537 1.00 12.34 H new ATOM 0 HZ3 LYS A 49 2.029 23.231 -4.037 1.00 12.34 H new ATOM 781 N TYR A 50 4.949 16.086 -3.646 1.00 52.01 N ATOM 782 CA TYR A 50 5.507 15.148 -2.680 1.00 24.31 C ATOM 783 C TYR A 50 5.314 13.707 -3.142 1.00 45.41 C ATOM 784 O TYR A 50 4.697 13.454 -4.177 1.00 43.01 O ATOM 785 CB TYR A 50 4.856 15.348 -1.310 1.00 20.13 C ATOM 786 CG TYR A 50 3.372 15.629 -1.380 1.00 3.23 C ATOM 787 CD1 TYR A 50 2.512 14.769 -2.053 1.00 31.41 C ATOM 788 CD2 TYR A 50 2.829 16.756 -0.776 1.00 61.54 C ATOM 789 CE1 TYR A 50 1.157 15.023 -2.120 1.00 15.22 C ATOM 790 CE2 TYR A 50 1.474 17.018 -0.838 1.00 32.34 C ATOM 791 CZ TYR A 50 0.642 16.148 -1.510 1.00 55.25 C ATOM 792 OH TYR A 50 -0.708 16.405 -1.576 1.00 32.21 O ATOM 0 H TYR A 50 4.103 15.758 -4.112 1.00 52.01 H new ATOM 0 HA TYR A 50 6.576 15.343 -2.600 1.00 24.31 H new ATOM 0 HB2 TYR A 50 5.020 14.456 -0.705 1.00 20.13 H new ATOM 0 HB3 TYR A 50 5.350 16.175 -0.799 1.00 20.13 H new ATOM 0 HD1 TYR A 50 2.911 13.887 -2.532 1.00 31.41 H new ATOM 0 HD2 TYR A 50 3.478 17.440 -0.249 1.00 61.54 H new ATOM 0 HE1 TYR A 50 0.503 14.344 -2.647 1.00 15.22 H new ATOM 0 HE2 TYR A 50 1.069 17.899 -0.363 1.00 32.34 H new ATOM 0 HH TYR A 50 -0.863 17.367 -1.473 1.00 32.21 H new ATOM 802 N TRP A 51 5.843 12.768 -2.368 1.00 72.45 N ATOM 803 CA TRP A 51 5.729 11.352 -2.697 1.00 71.05 C ATOM 804 C TRP A 51 4.284 10.981 -3.011 1.00 44.51 C ATOM 805 O TRP A 51 3.420 11.010 -2.133 1.00 14.33 O ATOM 806 CB TRP A 51 6.250 10.495 -1.543 1.00 3.05 C ATOM 807 CG TRP A 51 6.954 9.252 -1.996 1.00 2.21 C ATOM 808 CD1 TRP A 51 8.196 9.173 -2.557 1.00 54.15 C ATOM 809 CD2 TRP A 51 6.456 7.911 -1.927 1.00 51.15 C ATOM 810 NE1 TRP A 51 8.500 7.863 -2.843 1.00 71.32 N ATOM 811 CE2 TRP A 51 7.450 7.070 -2.464 1.00 41.40 C ATOM 812 CE3 TRP A 51 5.269 7.339 -1.462 1.00 0.23 C ATOM 813 CZ2 TRP A 51 7.290 5.689 -2.550 1.00 63.42 C ATOM 814 CZ3 TRP A 51 5.111 5.969 -1.548 1.00 63.32 C ATOM 815 CH2 TRP A 51 6.117 5.156 -2.087 1.00 61.20 C ATOM 0 H TRP A 51 6.356 12.961 -1.508 1.00 72.45 H new ATOM 0 HA TRP A 51 6.334 11.161 -3.583 1.00 71.05 H new ATOM 0 HB2 TRP A 51 6.933 11.091 -0.938 1.00 3.05 H new ATOM 0 HB3 TRP A 51 5.414 10.217 -0.901 1.00 3.05 H new ATOM 0 HD1 TRP A 51 8.844 10.015 -2.748 1.00 54.15 H new ATOM 0 HE1 TRP A 51 9.367 7.535 -3.268 1.00 71.32 H new ATOM 0 HE3 TRP A 51 4.489 7.957 -1.043 1.00 0.23 H new ATOM 0 HZ2 TRP A 51 8.064 5.061 -2.967 1.00 63.42 H new ATOM 0 HZ3 TRP A 51 4.196 5.517 -1.194 1.00 63.32 H new ATOM 0 HH2 TRP A 51 5.964 4.088 -2.138 1.00 61.20 H new ATOM 826 N THR A 52 4.025 10.633 -4.268 1.00 62.12 N ATOM 827 CA THR A 52 2.684 10.258 -4.697 1.00 34.10 C ATOM 828 C THR A 52 2.724 9.476 -6.006 1.00 21.02 C ATOM 829 O THR A 52 3.603 9.688 -6.842 1.00 63.43 O ATOM 830 CB THR A 52 1.785 11.496 -4.879 1.00 33.13 C ATOM 831 OG1 THR A 52 1.779 12.276 -3.679 1.00 64.43 O ATOM 832 CG2 THR A 52 0.363 11.085 -5.229 1.00 73.04 C ATOM 0 H THR A 52 4.728 10.603 -5.007 1.00 62.12 H new ATOM 0 HA THR A 52 2.266 9.627 -3.912 1.00 34.10 H new ATOM 0 HB THR A 52 2.186 12.092 -5.698 1.00 33.13 H new ATOM 0 HG1 THR A 52 2.059 11.717 -2.924 1.00 64.43 H new ATOM 0 HG21 THR A 52 -0.253 11.976 -5.353 1.00 73.04 H new ATOM 0 HG22 THR A 52 0.367 10.515 -6.158 1.00 73.04 H new ATOM 0 HG23 THR A 52 -0.046 10.470 -4.428 1.00 73.04 H new ATOM 840 N THR A 53 1.766 8.571 -6.178 1.00 40.30 N ATOM 841 CA THR A 53 1.691 7.758 -7.385 1.00 33.42 C ATOM 842 C THR A 53 0.324 7.877 -8.046 1.00 1.31 C ATOM 843 O THR A 53 -0.667 7.345 -7.546 1.00 75.13 O ATOM 844 CB THR A 53 1.974 6.274 -7.081 1.00 63.31 C ATOM 845 OG1 THR A 53 0.917 5.727 -6.283 1.00 44.33 O ATOM 846 CG2 THR A 53 3.300 6.113 -6.352 1.00 2.42 C ATOM 0 H THR A 53 1.031 8.383 -5.496 1.00 40.30 H new ATOM 0 HA THR A 53 2.454 8.135 -8.066 1.00 33.42 H new ATOM 0 HB THR A 53 2.030 5.737 -8.028 1.00 63.31 H new ATOM 0 HG1 THR A 53 0.053 6.039 -6.625 1.00 44.33 H new ATOM 0 HG21 THR A 53 3.477 5.057 -6.149 1.00 2.42 H new ATOM 0 HG22 THR A 53 4.106 6.503 -6.973 1.00 2.42 H new ATOM 0 HG23 THR A 53 3.267 6.663 -5.412 1.00 2.42 H new ATOM 854 N SER A 54 0.275 8.580 -9.173 1.00 75.44 N ATOM 855 CA SER A 54 -0.973 8.773 -9.902 1.00 2.22 C ATOM 856 C SER A 54 -0.762 9.678 -11.112 1.00 22.42 C ATOM 857 O SER A 54 0.125 10.531 -11.134 1.00 22.42 O ATOM 858 CB SER A 54 -2.037 9.372 -8.981 1.00 10.45 C ATOM 859 OG SER A 54 -2.855 10.295 -9.679 1.00 44.25 O ATOM 0 H SER A 54 1.086 9.026 -9.601 1.00 75.44 H new ATOM 0 HA SER A 54 -1.314 7.800 -10.255 1.00 2.22 H new ATOM 0 HB2 SER A 54 -2.654 8.575 -8.567 1.00 10.45 H new ATOM 0 HB3 SER A 54 -1.555 9.871 -8.140 1.00 10.45 H new ATOM 0 HG SER A 54 -3.528 10.663 -9.069 1.00 44.25 H new ATOM 865 N PRO A 55 -1.598 9.490 -12.143 1.00 2.34 N ATOM 866 CA PRO A 55 -1.525 10.279 -13.376 1.00 22.43 C ATOM 867 C PRO A 55 -1.956 11.726 -13.164 1.00 64.42 C ATOM 868 O PRO A 55 -2.730 12.043 -12.259 1.00 74.41 O ATOM 869 CB PRO A 55 -2.499 9.563 -14.314 1.00 44.11 C ATOM 870 CG PRO A 55 -3.463 8.879 -13.409 1.00 14.53 C ATOM 871 CD PRO A 55 -2.680 8.492 -12.186 1.00 33.12 C ATOM 0 HA PRO A 55 -0.507 10.339 -13.762 1.00 22.43 H new ATOM 0 HB2 PRO A 55 -3.006 10.269 -14.972 1.00 44.11 H new ATOM 0 HB3 PRO A 55 -1.980 8.848 -14.953 1.00 44.11 H new ATOM 0 HG2 PRO A 55 -4.291 9.539 -13.150 1.00 14.53 H new ATOM 0 HG3 PRO A 55 -3.894 8.001 -13.890 1.00 14.53 H new ATOM 0 HD2 PRO A 55 -3.295 8.528 -11.287 1.00 33.12 H new ATOM 0 HD3 PRO A 55 -2.288 7.478 -12.264 1.00 33.12 H new ATOM 879 N PRO A 56 -1.447 12.628 -14.016 1.00 72.32 N ATOM 880 CA PRO A 56 -1.766 14.057 -13.942 1.00 1.20 C ATOM 881 C PRO A 56 -3.208 14.349 -14.343 1.00 22.22 C ATOM 882 O PRO A 56 -3.730 13.765 -15.293 1.00 63.22 O ATOM 883 CB PRO A 56 -0.796 14.690 -14.942 1.00 75.13 C ATOM 884 CG PRO A 56 -0.483 13.600 -15.909 1.00 24.03 C ATOM 885 CD PRO A 56 -0.518 12.322 -15.118 1.00 10.43 C ATOM 0 HA PRO A 56 -1.667 14.445 -12.928 1.00 1.20 H new ATOM 0 HB2 PRO A 56 -1.247 15.546 -15.443 1.00 75.13 H new ATOM 0 HB3 PRO A 56 0.105 15.050 -14.446 1.00 75.13 H new ATOM 0 HG2 PRO A 56 -1.211 13.577 -16.720 1.00 24.03 H new ATOM 0 HG3 PRO A 56 0.496 13.751 -16.364 1.00 24.03 H new ATOM 0 HD2 PRO A 56 -0.872 11.486 -15.721 1.00 10.43 H new ATOM 0 HD3 PRO A 56 0.471 12.052 -14.747 1.00 10.43 H new ATOM 893 N SER A 57 -3.848 15.257 -13.612 1.00 22.42 N ATOM 894 CA SER A 57 -5.232 15.624 -13.888 1.00 54.33 C ATOM 895 C SER A 57 -5.719 16.685 -12.906 1.00 51.33 C ATOM 896 O SER A 57 -5.845 17.859 -13.255 1.00 74.40 O ATOM 897 CB SER A 57 -6.133 14.391 -13.815 1.00 24.13 C ATOM 898 OG SER A 57 -7.491 14.761 -13.649 1.00 42.01 O ATOM 0 H SER A 57 -3.430 15.752 -12.824 1.00 22.42 H new ATOM 0 HA SER A 57 -5.278 16.039 -14.895 1.00 54.33 H new ATOM 0 HB2 SER A 57 -6.022 13.801 -14.725 1.00 24.13 H new ATOM 0 HB3 SER A 57 -5.821 13.757 -12.985 1.00 24.13 H new ATOM 0 HG SER A 57 -8.047 13.955 -13.607 1.00 42.01 H new ATOM 904 N ASP A 58 -5.992 16.263 -11.677 1.00 13.13 N ATOM 905 CA ASP A 58 -6.465 17.175 -10.642 1.00 41.22 C ATOM 906 C ASP A 58 -5.833 16.842 -9.295 1.00 5.14 C ATOM 907 O ASP A 58 -5.986 15.733 -8.783 1.00 1.01 O ATOM 908 CB ASP A 58 -7.990 17.111 -10.534 1.00 72.55 C ATOM 909 CG ASP A 58 -8.510 17.791 -9.283 1.00 33.01 C ATOM 910 OD1 ASP A 58 -7.919 18.810 -8.872 1.00 71.10 O ATOM 911 OD2 ASP A 58 -9.509 17.301 -8.714 1.00 72.24 O ATOM 0 H ASP A 58 -5.894 15.294 -11.373 1.00 13.13 H new ATOM 0 HA ASP A 58 -6.171 18.187 -10.921 1.00 41.22 H new ATOM 0 HB2 ASP A 58 -8.434 17.582 -11.411 1.00 72.55 H new ATOM 0 HB3 ASP A 58 -8.308 16.068 -10.537 1.00 72.55 H new ATOM 916 N ASP A 59 -5.123 17.809 -8.725 1.00 65.12 N ATOM 917 CA ASP A 59 -4.467 17.621 -7.437 1.00 32.03 C ATOM 918 C ASP A 59 -5.145 18.455 -6.354 1.00 14.45 C ATOM 919 O ASP A 59 -4.694 19.543 -6.001 1.00 23.31 O ATOM 920 CB ASP A 59 -2.987 17.994 -7.533 1.00 2.42 C ATOM 921 CG ASP A 59 -2.723 19.043 -8.596 1.00 35.13 C ATOM 922 OD1 ASP A 59 -2.629 18.672 -9.784 1.00 60.35 O ATOM 923 OD2 ASP A 59 -2.610 20.234 -8.238 1.00 53.12 O ATOM 0 H ASP A 59 -4.987 18.733 -9.136 1.00 65.12 H new ATOM 0 HA ASP A 59 -4.551 16.569 -7.166 1.00 32.03 H new ATOM 0 HB2 ASP A 59 -2.645 18.366 -6.567 1.00 2.42 H new ATOM 0 HB3 ASP A 59 -2.404 17.101 -7.755 1.00 2.42 H new ATOM 928 N PRO A 60 -6.257 17.933 -5.814 1.00 61.01 N ATOM 929 CA PRO A 60 -7.021 18.613 -4.765 1.00 2.43 C ATOM 930 C PRO A 60 -6.276 18.649 -3.435 1.00 53.03 C ATOM 931 O PRO A 60 -6.655 19.380 -2.519 1.00 14.42 O ATOM 932 CB PRO A 60 -8.290 17.764 -4.644 1.00 23.31 C ATOM 933 CG PRO A 60 -7.887 16.411 -5.119 1.00 12.52 C ATOM 934 CD PRO A 60 -6.853 16.638 -6.187 1.00 43.15 C ATOM 0 HA PRO A 60 -7.212 19.657 -5.012 1.00 2.43 H new ATOM 0 HB2 PRO A 60 -8.648 17.732 -3.615 1.00 23.31 H new ATOM 0 HB3 PRO A 60 -9.099 18.172 -5.250 1.00 23.31 H new ATOM 0 HG2 PRO A 60 -7.480 15.816 -4.302 1.00 12.52 H new ATOM 0 HG3 PRO A 60 -8.743 15.865 -5.515 1.00 12.52 H new ATOM 0 HD2 PRO A 60 -6.108 15.842 -6.201 1.00 43.15 H new ATOM 0 HD3 PRO A 60 -7.301 16.673 -7.180 1.00 43.15 H new ATOM 942 N TYR A 61 -5.214 17.858 -3.337 1.00 71.43 N ATOM 943 CA TYR A 61 -4.416 17.798 -2.118 1.00 62.31 C ATOM 944 C TYR A 61 -3.019 18.365 -2.353 1.00 13.11 C ATOM 945 O TYR A 61 -2.222 18.490 -1.424 1.00 1.13 O ATOM 946 CB TYR A 61 -4.316 16.356 -1.619 1.00 22.13 C ATOM 947 CG TYR A 61 -4.557 15.324 -2.696 1.00 13.52 C ATOM 948 CD1 TYR A 61 -3.649 15.145 -3.732 1.00 22.43 C ATOM 949 CD2 TYR A 61 -5.695 14.526 -2.679 1.00 1.11 C ATOM 950 CE1 TYR A 61 -3.866 14.204 -4.720 1.00 5.14 C ATOM 951 CE2 TYR A 61 -5.920 13.581 -3.661 1.00 15.11 C ATOM 952 CZ TYR A 61 -5.003 13.424 -4.679 1.00 4.40 C ATOM 953 OH TYR A 61 -5.223 12.484 -5.660 1.00 64.33 O ATOM 0 H TYR A 61 -4.885 17.249 -4.087 1.00 71.43 H new ATOM 0 HA TYR A 61 -4.912 18.404 -1.360 1.00 62.31 H new ATOM 0 HB2 TYR A 61 -3.327 16.197 -1.190 1.00 22.13 H new ATOM 0 HB3 TYR A 61 -5.039 16.207 -0.817 1.00 22.13 H new ATOM 0 HD1 TYR A 61 -2.757 15.753 -3.766 1.00 22.43 H new ATOM 0 HD2 TYR A 61 -6.416 14.647 -1.884 1.00 1.11 H new ATOM 0 HE1 TYR A 61 -3.150 14.080 -5.519 1.00 5.14 H new ATOM 0 HE2 TYR A 61 -6.809 12.969 -3.632 1.00 15.11 H new ATOM 0 HH TYR A 61 -6.068 12.019 -5.484 1.00 64.33 H new ATOM 963 N GLY A 62 -2.729 18.706 -3.605 1.00 12.32 N ATOM 964 CA GLY A 62 -1.429 19.256 -3.942 1.00 71.14 C ATOM 965 C GLY A 62 -0.390 18.179 -4.188 1.00 44.14 C ATOM 966 O GLY A 62 0.704 18.223 -3.628 1.00 63.33 O ATOM 0 H GLY A 62 -3.371 18.611 -4.392 1.00 12.32 H new ATOM 0 HA2 GLY A 62 -1.521 19.878 -4.832 1.00 71.14 H new ATOM 0 HA3 GLY A 62 -1.091 19.904 -3.133 1.00 71.14 H new ATOM 970 N SER A 63 -0.734 17.208 -5.028 1.00 43.44 N ATOM 971 CA SER A 63 0.174 16.112 -5.343 1.00 61.34 C ATOM 972 C SER A 63 0.974 16.416 -6.606 1.00 74.23 C ATOM 973 O SER A 63 1.982 15.767 -6.887 1.00 2.21 O ATOM 974 CB SER A 63 -0.608 14.809 -5.522 1.00 70.33 C ATOM 975 OG SER A 63 -1.349 14.820 -6.729 1.00 44.32 O ATOM 0 H SER A 63 -1.635 17.158 -5.503 1.00 43.44 H new ATOM 0 HA SER A 63 0.870 15.998 -4.511 1.00 61.34 H new ATOM 0 HB2 SER A 63 0.081 13.965 -5.523 1.00 70.33 H new ATOM 0 HB3 SER A 63 -1.284 14.668 -4.678 1.00 70.33 H new ATOM 0 HG SER A 63 -0.756 14.604 -7.479 1.00 44.32 H new ATOM 981 N TRP A 64 0.518 17.406 -7.364 1.00 50.14 N ATOM 982 CA TRP A 64 1.190 17.797 -8.598 1.00 42.31 C ATOM 983 C TRP A 64 1.236 19.315 -8.736 1.00 5.13 C ATOM 984 O TRP A 64 0.424 20.025 -8.145 1.00 22.23 O ATOM 985 CB TRP A 64 0.480 17.184 -9.807 1.00 25.45 C ATOM 986 CG TRP A 64 0.880 15.765 -10.075 1.00 23.50 C ATOM 987 CD1 TRP A 64 0.153 14.642 -9.801 1.00 65.34 C ATOM 988 CD2 TRP A 64 2.106 15.318 -10.665 1.00 51.51 C ATOM 989 NE1 TRP A 64 0.852 13.524 -10.188 1.00 11.25 N ATOM 990 CE2 TRP A 64 2.052 13.912 -10.722 1.00 13.11 C ATOM 991 CE3 TRP A 64 3.241 15.968 -11.156 1.00 4.10 C ATOM 992 CZ2 TRP A 64 3.091 13.148 -11.247 1.00 33.25 C ATOM 993 CZ3 TRP A 64 4.272 15.209 -11.676 1.00 44.41 C ATOM 994 CH2 TRP A 64 4.191 13.811 -11.719 1.00 3.23 C ATOM 0 H TRP A 64 -0.315 17.953 -7.146 1.00 50.14 H new ATOM 0 HA TRP A 64 2.213 17.423 -8.559 1.00 42.31 H new ATOM 0 HB2 TRP A 64 -0.597 17.226 -9.646 1.00 25.45 H new ATOM 0 HB3 TRP A 64 0.694 17.787 -10.689 1.00 25.45 H new ATOM 0 HD1 TRP A 64 -0.827 14.634 -9.347 1.00 65.34 H new ATOM 0 HE1 TRP A 64 0.529 12.561 -10.093 1.00 11.25 H new ATOM 0 HE3 TRP A 64 3.311 17.045 -11.130 1.00 4.10 H new ATOM 0 HZ2 TRP A 64 3.031 12.070 -11.280 1.00 33.25 H new ATOM 0 HZ3 TRP A 64 5.155 15.702 -12.056 1.00 44.41 H new ATOM 0 HH2 TRP A 64 5.013 13.246 -12.133 1.00 3.23 H new ATOM 1005 N GLU A 65 2.190 19.805 -9.520 1.00 74.32 N ATOM 1006 CA GLU A 65 2.342 21.240 -9.734 1.00 2.40 C ATOM 1007 C GLU A 65 2.775 21.533 -11.167 1.00 52.44 C ATOM 1008 O GLU A 65 3.864 21.143 -11.591 1.00 24.54 O ATOM 1009 CB GLU A 65 3.361 21.820 -8.752 1.00 2.51 C ATOM 1010 CG GLU A 65 3.118 23.282 -8.416 1.00 60.43 C ATOM 1011 CD GLU A 65 3.650 24.221 -9.482 1.00 1.12 C ATOM 1012 OE1 GLU A 65 4.850 24.564 -9.427 1.00 10.44 O ATOM 1013 OE2 GLU A 65 2.865 24.614 -10.371 1.00 2.24 O ATOM 0 H GLU A 65 2.870 19.230 -10.018 1.00 74.32 H new ATOM 0 HA GLU A 65 1.375 21.712 -9.562 1.00 2.40 H new ATOM 0 HB2 GLU A 65 3.340 21.236 -7.832 1.00 2.51 H new ATOM 0 HB3 GLU A 65 4.361 21.714 -9.174 1.00 2.51 H new ATOM 0 HG2 GLU A 65 2.048 23.449 -8.291 1.00 60.43 H new ATOM 0 HG3 GLU A 65 3.591 23.515 -7.462 1.00 60.43 H new ATOM 1020 N TYR A 66 1.916 22.223 -11.910 1.00 72.44 N ATOM 1021 CA TYR A 66 2.208 22.566 -13.296 1.00 42.11 C ATOM 1022 C TYR A 66 3.243 23.685 -13.374 1.00 54.22 C ATOM 1023 O TYR A 66 2.972 24.826 -12.997 1.00 20.31 O ATOM 1024 CB TYR A 66 0.929 22.989 -14.020 1.00 65.03 C ATOM 1025 CG TYR A 66 1.181 23.755 -15.299 1.00 71.14 C ATOM 1026 CD1 TYR A 66 1.358 23.090 -16.506 1.00 3.21 C ATOM 1027 CD2 TYR A 66 1.242 25.144 -15.300 1.00 75.22 C ATOM 1028 CE1 TYR A 66 1.589 23.786 -17.677 1.00 74.11 C ATOM 1029 CE2 TYR A 66 1.473 25.846 -16.467 1.00 43.50 C ATOM 1030 CZ TYR A 66 1.645 25.163 -17.652 1.00 54.24 C ATOM 1031 OH TYR A 66 1.876 25.860 -18.816 1.00 51.31 O ATOM 0 H TYR A 66 1.012 22.555 -11.575 1.00 72.44 H new ATOM 0 HA TYR A 66 2.618 21.681 -13.783 1.00 42.11 H new ATOM 0 HB2 TYR A 66 0.340 22.101 -14.249 1.00 65.03 H new ATOM 0 HB3 TYR A 66 0.329 23.605 -13.350 1.00 65.03 H new ATOM 0 HD1 TYR A 66 1.314 22.011 -16.529 1.00 3.21 H new ATOM 0 HD2 TYR A 66 1.107 25.683 -14.374 1.00 75.22 H new ATOM 0 HE1 TYR A 66 1.725 23.254 -18.607 1.00 74.11 H new ATOM 0 HE2 TYR A 66 1.519 26.925 -16.451 1.00 43.50 H new ATOM 0 HH TYR A 66 1.531 25.349 -19.577 1.00 51.31 H new ATOM 1041 N LEU A 67 4.431 23.350 -13.866 1.00 11.11 N ATOM 1042 CA LEU A 67 5.508 24.325 -13.995 1.00 10.11 C ATOM 1043 C LEU A 67 5.473 24.997 -15.364 1.00 32.32 C ATOM 1044 O LEU A 67 5.835 26.165 -15.502 1.00 52.41 O ATOM 1045 CB LEU A 67 6.863 23.648 -13.781 1.00 64.42 C ATOM 1046 CG LEU A 67 6.968 22.725 -12.567 1.00 32.04 C ATOM 1047 CD1 LEU A 67 8.212 21.857 -12.661 1.00 73.34 C ATOM 1048 CD2 LEU A 67 6.977 23.535 -11.279 1.00 64.44 C ATOM 0 H LEU A 67 4.672 22.411 -14.182 1.00 11.11 H new ATOM 0 HA LEU A 67 5.366 25.090 -13.232 1.00 10.11 H new ATOM 0 HB2 LEU A 67 7.103 23.070 -14.673 1.00 64.42 H new ATOM 0 HB3 LEU A 67 7.624 24.423 -13.690 1.00 64.42 H new ATOM 0 HG LEU A 67 6.095 22.072 -12.556 1.00 32.04 H new ATOM 0 HD11 LEU A 67 8.269 21.207 -11.788 1.00 73.34 H new ATOM 0 HD12 LEU A 67 8.164 21.248 -13.564 1.00 73.34 H new ATOM 0 HD13 LEU A 67 9.097 22.492 -12.699 1.00 73.34 H new ATOM 0 HD21 LEU A 67 7.052 22.861 -10.426 1.00 64.44 H new ATOM 0 HD22 LEU A 67 7.830 24.213 -11.282 1.00 64.44 H new ATOM 0 HD23 LEU A 67 6.055 24.112 -11.205 1.00 64.44 H new ATOM 1060 N GLY A 68 5.034 24.251 -16.373 1.00 44.15 N ATOM 1061 CA GLY A 68 4.959 24.792 -17.717 1.00 44.21 C ATOM 1062 C GLY A 68 4.613 23.736 -18.749 1.00 63.35 C ATOM 1063 O GLY A 68 4.155 22.649 -18.402 1.00 14.42 O ATOM 0 H GLY A 68 4.729 23.282 -16.283 1.00 44.15 H new ATOM 0 HA2 GLY A 68 4.209 25.583 -17.746 1.00 44.21 H new ATOM 0 HA3 GLY A 68 5.914 25.249 -17.975 1.00 44.21 H new ATOM 1067 N GLU A 69 4.831 24.060 -20.020 1.00 15.12 N ATOM 1068 CA GLU A 69 4.537 23.131 -21.104 1.00 74.22 C ATOM 1069 C GLU A 69 5.823 22.552 -21.689 1.00 5.40 C ATOM 1070 O GLU A 69 6.886 23.163 -21.601 1.00 73.31 O ATOM 1071 CB GLU A 69 3.735 23.832 -22.203 1.00 22.10 C ATOM 1072 CG GLU A 69 2.409 23.157 -22.514 1.00 74.21 C ATOM 1073 CD GLU A 69 1.217 23.983 -22.072 1.00 13.33 C ATOM 1074 OE1 GLU A 69 1.368 24.783 -21.125 1.00 74.32 O ATOM 1075 OE2 GLU A 69 0.133 23.829 -22.672 1.00 33.34 O ATOM 0 H GLU A 69 5.210 24.957 -20.323 1.00 15.12 H new ATOM 0 HA GLU A 69 3.943 22.313 -20.696 1.00 74.22 H new ATOM 0 HB2 GLU A 69 3.547 24.863 -21.902 1.00 22.10 H new ATOM 0 HB3 GLU A 69 4.336 23.870 -23.112 1.00 22.10 H new ATOM 0 HG2 GLU A 69 2.342 22.973 -23.586 1.00 74.21 H new ATOM 0 HG3 GLU A 69 2.376 22.185 -22.021 1.00 74.21 H new ATOM 1082 N ALA A 70 5.714 21.369 -22.285 1.00 62.42 N ATOM 1083 CA ALA A 70 6.867 20.708 -22.884 1.00 14.42 C ATOM 1084 C ALA A 70 7.606 21.646 -23.832 1.00 40.21 C ATOM 1085 O ALA A 70 8.822 21.812 -23.732 1.00 4.53 O ATOM 1086 CB ALA A 70 6.429 19.449 -23.619 1.00 31.11 C ATOM 0 H ALA A 70 4.840 20.849 -22.366 1.00 62.42 H new ATOM 0 HA ALA A 70 7.552 20.429 -22.084 1.00 14.42 H new ATOM 0 HB1 ALA A 70 7.299 18.965 -24.062 1.00 31.11 H new ATOM 0 HB2 ALA A 70 5.951 18.765 -22.917 1.00 31.11 H new ATOM 0 HB3 ALA A 70 5.722 19.714 -24.405 1.00 31.11 H new ATOM 1092 N GLU A 71 6.864 22.256 -24.752 1.00 15.02 N ATOM 1093 CA GLU A 71 7.452 23.175 -25.719 1.00 24.13 C ATOM 1094 C GLU A 71 6.745 24.528 -25.681 1.00 35.22 C ATOM 1095 O GLU A 71 5.623 24.684 -26.163 1.00 71.13 O ATOM 1096 CB GLU A 71 7.375 22.587 -27.129 1.00 32.13 C ATOM 1097 CG GLU A 71 8.734 22.349 -27.764 1.00 72.21 C ATOM 1098 CD GLU A 71 9.040 23.334 -28.876 1.00 10.34 C ATOM 1099 OE1 GLU A 71 8.482 23.172 -29.982 1.00 54.14 O ATOM 1100 OE2 GLU A 71 9.835 24.267 -28.640 1.00 22.42 O ATOM 0 H GLU A 71 5.856 22.130 -24.847 1.00 15.02 H new ATOM 0 HA GLU A 71 8.499 23.322 -25.452 1.00 24.13 H new ATOM 0 HB2 GLU A 71 6.831 21.643 -27.091 1.00 32.13 H new ATOM 0 HB3 GLU A 71 6.800 23.261 -27.764 1.00 32.13 H new ATOM 0 HG2 GLU A 71 9.506 22.420 -26.998 1.00 72.21 H new ATOM 0 HG3 GLU A 71 8.772 21.335 -28.162 1.00 72.21 H new ATOM 1107 N PRO A 72 7.418 25.529 -25.095 1.00 62.32 N ATOM 1108 CA PRO A 72 6.875 26.887 -24.980 1.00 31.04 C ATOM 1109 C PRO A 72 6.798 27.596 -26.327 1.00 44.41 C ATOM 1110 O PRO A 72 7.675 27.437 -27.177 1.00 74.41 O ATOM 1111 CB PRO A 72 7.875 27.592 -24.061 1.00 5.41 C ATOM 1112 CG PRO A 72 9.150 26.845 -24.244 1.00 54.13 C ATOM 1113 CD PRO A 72 8.760 25.415 -24.500 1.00 32.33 C ATOM 0 HA PRO A 72 5.853 26.887 -24.600 1.00 31.04 H new ATOM 0 HB2 PRO A 72 7.989 28.642 -24.331 1.00 5.41 H new ATOM 0 HB3 PRO A 72 7.546 27.564 -23.022 1.00 5.41 H new ATOM 0 HG2 PRO A 72 9.722 27.249 -25.079 1.00 54.13 H new ATOM 0 HG3 PRO A 72 9.780 26.925 -23.358 1.00 54.13 H new ATOM 0 HD2 PRO A 72 9.459 24.923 -25.176 1.00 32.33 H new ATOM 0 HD3 PRO A 72 8.743 24.832 -23.579 1.00 32.33 H new ATOM 1121 N THR A 73 5.742 28.381 -26.518 1.00 43.33 N ATOM 1122 CA THR A 73 5.549 29.115 -27.763 1.00 32.44 C ATOM 1123 C THR A 73 6.477 30.322 -27.838 1.00 64.42 C ATOM 1124 O THR A 73 7.516 30.362 -27.178 1.00 3.11 O ATOM 1125 CB THR A 73 4.093 29.591 -27.915 1.00 11.31 C ATOM 1126 OG1 THR A 73 3.547 29.917 -26.632 1.00 34.02 O ATOM 1127 CG2 THR A 73 3.240 28.519 -28.577 1.00 2.21 C ATOM 0 H THR A 73 5.007 28.525 -25.826 1.00 43.33 H new ATOM 0 HA THR A 73 5.785 28.427 -28.575 1.00 32.44 H new ATOM 0 HB THR A 73 4.089 30.479 -28.547 1.00 11.31 H new ATOM 0 HG1 THR A 73 2.621 30.220 -26.738 1.00 34.02 H new ATOM 0 HG21 THR A 73 2.215 28.878 -28.674 1.00 2.21 H new ATOM 0 HG22 THR A 73 3.641 28.294 -29.565 1.00 2.21 H new ATOM 0 HG23 THR A 73 3.252 27.616 -27.967 1.00 2.21 H new TER 1135 THR A 73