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+ -107:sc= -0.487 (180deg=-2.16!) USER MOD Single : A 3 SER OG : rot 80:sc= -0.463 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 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN :FLIP amide:sc= -0.944 F(o=-1.5,f=-0.94) USER MOD Single : A 11 SER OG : rot 180:sc= 0.11 USER MOD Single : A 13 GLN : amide:sc= -0.0313 K(o=-0.031,f=-2.4) USER MOD Single : A 14 ASN : amide:sc= -1.59 X(o=-1.6,f=-1.1) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -0.155 K(o=-0.16,f=-1.8!) USER MOD Single : A 22 SER OG : rot 39:sc= 1.18 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= -1.31 USER MOD Single : A 31 LYS NZ :NH3+ -126:sc= 0.273 (180deg=0) USER MOD Single : A 33 TYR OH : rot 131:sc= 2.05 USER MOD Single : A 34 ASN : amide:sc= -0.717! C(o=-0.72!,f=-2!) USER MOD Single : A 35 GLN :FLIP amide:sc= -1.04 F(o=-2.5!,f=-1) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -1.24 K(o=-1.2,f=-2.1) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 15:sc= -0.684 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 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot -158:sc= -0.309 USER MOD Single : A 53 THR OG1 : rot 36:sc= 1.03 USER MOD Single : A 54 SER OG : rot 59:sc= 0.839 USER MOD Single : A 57 SER OG : rot 180:sc= 0.00167 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 78:sc= 0.233 USER MOD Single : A 66 TYR OH : rot -153:sc= 0.0195 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 33.445 5.565 -2.358 1.00 52.34 N ATOM 2 CA GLY A 1 32.745 4.664 -3.254 1.00 54.41 C ATOM 3 C GLY A 1 31.598 5.341 -3.979 1.00 2.11 C ATOM 4 O GLY A 1 31.665 5.608 -5.179 1.00 4.32 O ATOM 0 H1 GLY A 1 34.371 5.808 -2.764 1.00 52.34 H new ATOM 0 H2 GLY A 1 32.885 6.432 -2.230 1.00 52.34 H new ATOM 0 H3 GLY A 1 33.582 5.102 -1.437 1.00 52.34 H new ATOM 0 HA2 GLY A 1 33.448 4.265 -3.985 1.00 54.41 H new ATOM 0 HA3 GLY A 1 32.362 3.817 -2.686 1.00 54.41 H new ATOM 8 N PRO A 2 30.515 5.628 -3.241 1.00 42.43 N ATOM 9 CA PRO A 2 29.327 6.281 -3.800 1.00 51.54 C ATOM 10 C PRO A 2 29.585 7.738 -4.166 1.00 3.50 C ATOM 11 O PRO A 2 30.505 8.366 -3.643 1.00 51.11 O ATOM 12 CB PRO A 2 28.304 6.188 -2.666 1.00 0.25 C ATOM 13 CG PRO A 2 29.123 6.092 -1.425 1.00 25.01 C ATOM 14 CD PRO A 2 30.366 5.339 -1.806 1.00 32.33 C ATOM 0 HA PRO A 2 29.001 5.809 -4.727 1.00 51.54 H new ATOM 0 HB2 PRO A 2 27.655 7.063 -2.645 1.00 0.25 H new ATOM 0 HB3 PRO A 2 27.660 5.316 -2.784 1.00 0.25 H new ATOM 0 HG2 PRO A 2 29.369 7.083 -1.042 1.00 25.01 H new ATOM 0 HG3 PRO A 2 28.578 5.572 -0.637 1.00 25.01 H new ATOM 0 HD2 PRO A 2 31.231 5.678 -1.236 1.00 32.33 H new ATOM 0 HD3 PRO A 2 30.261 4.270 -1.620 1.00 32.33 H new ATOM 22 N SER A 3 28.766 8.271 -5.068 1.00 10.34 N ATOM 23 CA SER A 3 28.908 9.654 -5.508 1.00 30.34 C ATOM 24 C SER A 3 27.590 10.187 -6.061 1.00 20.02 C ATOM 25 O SER A 3 26.657 9.424 -6.316 1.00 43.31 O ATOM 26 CB SER A 3 30.003 9.764 -6.571 1.00 23.10 C ATOM 27 OG SER A 3 31.159 9.039 -6.189 1.00 13.42 O ATOM 0 H SER A 3 27.997 7.766 -5.508 1.00 10.34 H new ATOM 0 HA SER A 3 29.189 10.257 -4.644 1.00 30.34 H new ATOM 0 HB2 SER A 3 29.630 9.385 -7.522 1.00 23.10 H new ATOM 0 HB3 SER A 3 30.261 10.812 -6.725 1.00 23.10 H new ATOM 0 HG SER A 3 31.025 8.087 -6.378 1.00 13.42 H new ATOM 33 N THR A 4 27.521 11.501 -6.245 1.00 3.22 N ATOM 34 CA THR A 4 26.317 12.137 -6.766 1.00 62.24 C ATOM 35 C THR A 4 25.129 11.913 -5.837 1.00 63.13 C ATOM 36 O THR A 4 24.504 10.854 -5.860 1.00 44.30 O ATOM 37 CB THR A 4 25.965 11.607 -8.169 1.00 4.44 C ATOM 38 OG1 THR A 4 27.144 11.544 -8.980 1.00 23.43 O ATOM 39 CG2 THR A 4 24.929 12.497 -8.840 1.00 22.33 C ATOM 0 H THR A 4 28.284 12.146 -6.041 1.00 3.22 H new ATOM 0 HA THR A 4 26.526 13.205 -6.830 1.00 62.24 H new ATOM 0 HB THR A 4 25.546 10.607 -8.060 1.00 4.44 H new ATOM 0 HG1 THR A 4 26.911 11.204 -9.869 1.00 23.43 H new ATOM 0 HG21 THR A 4 24.697 12.103 -9.829 1.00 22.33 H new ATOM 0 HG22 THR A 4 24.022 12.519 -8.236 1.00 22.33 H new ATOM 0 HG23 THR A 4 25.325 13.508 -8.936 1.00 22.33 H new ATOM 47 N SER A 5 24.824 12.918 -5.022 1.00 64.30 N ATOM 48 CA SER A 5 23.713 12.829 -4.082 1.00 52.31 C ATOM 49 C SER A 5 22.548 13.704 -4.535 1.00 44.23 C ATOM 50 O SER A 5 22.741 14.848 -4.947 1.00 61.04 O ATOM 51 CB SER A 5 24.166 13.247 -2.682 1.00 13.35 C ATOM 52 OG SER A 5 25.165 14.248 -2.748 1.00 35.53 O ATOM 0 H SER A 5 25.331 13.803 -4.994 1.00 64.30 H new ATOM 0 HA SER A 5 23.377 11.793 -4.052 1.00 52.31 H new ATOM 0 HB2 SER A 5 23.312 13.618 -2.116 1.00 13.35 H new ATOM 0 HB3 SER A 5 24.551 12.379 -2.147 1.00 13.35 H new ATOM 0 HG SER A 5 25.437 14.499 -1.841 1.00 35.53 H new ATOM 58 N MET A 6 21.339 13.159 -4.453 1.00 42.21 N ATOM 59 CA MET A 6 20.142 13.890 -4.853 1.00 21.10 C ATOM 60 C MET A 6 18.885 13.203 -4.330 1.00 1.41 C ATOM 61 O MET A 6 18.963 12.284 -3.516 1.00 31.14 O ATOM 62 CB MET A 6 20.077 14.010 -6.376 1.00 54.55 C ATOM 63 CG MET A 6 19.666 12.721 -7.070 1.00 62.25 C ATOM 64 SD MET A 6 20.708 12.336 -8.491 1.00 21.42 S ATOM 65 CE MET A 6 20.653 10.545 -8.474 1.00 42.25 C ATOM 0 H MET A 6 21.162 12.214 -4.113 1.00 42.21 H new ATOM 0 HA MET A 6 20.195 14.889 -4.420 1.00 21.10 H new ATOM 0 HB2 MET A 6 19.370 14.797 -6.641 1.00 54.55 H new ATOM 0 HB3 MET A 6 21.053 14.319 -6.750 1.00 54.55 H new ATOM 0 HG2 MET A 6 19.712 11.898 -6.357 1.00 62.25 H new ATOM 0 HG3 MET A 6 18.629 12.803 -7.396 1.00 62.25 H new ATOM 0 HE1 MET A 6 21.252 10.155 -9.297 1.00 42.25 H new ATOM 0 HE2 MET A 6 21.052 10.178 -7.528 1.00 42.25 H new ATOM 0 HE3 MET A 6 19.621 10.212 -8.587 1.00 42.25 H new ATOM 75 N GLU A 7 17.728 13.655 -4.805 1.00 12.35 N ATOM 76 CA GLU A 7 16.455 13.081 -4.384 1.00 23.01 C ATOM 77 C GLU A 7 15.429 13.150 -5.511 1.00 13.42 C ATOM 78 O GLU A 7 14.226 13.026 -5.278 1.00 61.32 O ATOM 79 CB GLU A 7 15.924 13.815 -3.151 1.00 24.35 C ATOM 80 CG GLU A 7 16.491 13.294 -1.841 1.00 64.41 C ATOM 81 CD GLU A 7 15.637 13.668 -0.646 1.00 23.14 C ATOM 82 OE1 GLU A 7 14.444 13.980 -0.844 1.00 62.42 O ATOM 83 OE2 GLU A 7 16.160 13.648 0.488 1.00 11.11 O ATOM 0 H GLU A 7 17.646 14.415 -5.480 1.00 12.35 H new ATOM 0 HA GLU A 7 16.622 12.034 -4.132 1.00 23.01 H new ATOM 0 HB2 GLU A 7 16.157 14.876 -3.242 1.00 24.35 H new ATOM 0 HB3 GLU A 7 14.838 13.728 -3.127 1.00 24.35 H new ATOM 0 HG2 GLU A 7 16.580 12.209 -1.894 1.00 64.41 H new ATOM 0 HG3 GLU A 7 17.497 13.690 -1.702 1.00 64.41 H new ATOM 90 N ASN A 8 15.912 13.348 -6.733 1.00 32.44 N ATOM 91 CA ASN A 8 15.038 13.433 -7.896 1.00 13.33 C ATOM 92 C ASN A 8 15.737 12.899 -9.143 1.00 3.04 C ATOM 93 O ASN A 8 16.363 13.653 -9.888 1.00 43.51 O ATOM 94 CB ASN A 8 14.599 14.881 -8.125 1.00 4.32 C ATOM 95 CG ASN A 8 14.510 15.669 -6.833 1.00 12.25 C ATOM 96 OD1 ASN A 8 13.399 15.513 -6.120 1.00 15.35 O flip ATOM 97 ND2 ASN A 8 15.428 16.409 -6.479 1.00 71.00 N flip ATOM 0 H ASN A 8 16.905 13.453 -6.943 1.00 32.44 H new ATOM 0 HA ASN A 8 14.158 12.819 -7.703 1.00 13.33 H new ATOM 0 HB2 ASN A 8 15.304 15.370 -8.798 1.00 4.32 H new ATOM 0 HB3 ASN A 8 13.628 14.889 -8.620 1.00 4.32 H new ATOM 0 HD21 ASN A 8 16.263 16.498 -7.058 1.00 71.00 H new ATOM 0 HD22 ASN A 8 15.354 16.933 -5.607 1.00 71.00 H new ATOM 104 N LEU A 9 15.625 11.594 -9.364 1.00 32.54 N ATOM 105 CA LEU A 9 16.245 10.957 -10.520 1.00 63.23 C ATOM 106 C LEU A 9 15.291 10.942 -11.710 1.00 75.34 C ATOM 107 O LEU A 9 15.527 10.248 -12.699 1.00 41.33 O ATOM 108 CB LEU A 9 16.671 9.529 -10.174 1.00 12.32 C ATOM 109 CG LEU A 9 15.537 8.525 -9.960 1.00 41.03 C ATOM 110 CD1 LEU A 9 15.795 7.252 -10.750 1.00 74.41 C ATOM 111 CD2 LEU A 9 15.375 8.213 -8.479 1.00 54.21 C ATOM 0 H LEU A 9 15.110 10.956 -8.757 1.00 32.54 H new ATOM 0 HA LEU A 9 17.127 11.536 -10.793 1.00 63.23 H new ATOM 0 HB2 LEU A 9 17.312 9.158 -10.974 1.00 12.32 H new ATOM 0 HB3 LEU A 9 17.277 9.561 -9.269 1.00 12.32 H new ATOM 0 HG LEU A 9 14.610 8.970 -10.321 1.00 41.03 H new ATOM 0 HD11 LEU A 9 14.978 6.550 -10.585 1.00 74.41 H new ATOM 0 HD12 LEU A 9 15.861 7.490 -11.812 1.00 74.41 H new ATOM 0 HD13 LEU A 9 16.732 6.803 -10.420 1.00 74.41 H new ATOM 0 HD21 LEU A 9 14.564 7.497 -8.345 1.00 54.21 H new ATOM 0 HD22 LEU A 9 16.302 7.788 -8.093 1.00 54.21 H new ATOM 0 HD23 LEU A 9 15.143 9.130 -7.937 1.00 54.21 H new ATOM 123 N VAL A 10 14.215 11.714 -11.609 1.00 41.33 N ATOM 124 CA VAL A 10 13.226 11.793 -12.679 1.00 25.44 C ATOM 125 C VAL A 10 13.890 12.090 -14.018 1.00 52.53 C ATOM 126 O VAL A 10 13.402 11.673 -15.070 1.00 64.21 O ATOM 127 CB VAL A 10 12.171 12.877 -12.389 1.00 72.50 C ATOM 128 CG1 VAL A 10 12.796 14.262 -12.455 1.00 75.52 C ATOM 129 CG2 VAL A 10 11.008 12.761 -13.362 1.00 12.32 C ATOM 0 H VAL A 10 14.005 12.294 -10.797 1.00 41.33 H new ATOM 0 HA VAL A 10 12.733 10.822 -12.728 1.00 25.44 H new ATOM 0 HB VAL A 10 11.788 12.726 -11.380 1.00 72.50 H new ATOM 0 HG11 VAL A 10 12.035 15.015 -12.247 1.00 75.52 H new ATOM 0 HG12 VAL A 10 13.593 14.337 -11.715 1.00 75.52 H new ATOM 0 HG13 VAL A 10 13.209 14.428 -13.450 1.00 75.52 H new ATOM 0 HG21 VAL A 10 10.272 13.534 -13.143 1.00 12.32 H new ATOM 0 HG22 VAL A 10 11.373 12.886 -14.382 1.00 12.32 H new ATOM 0 HG23 VAL A 10 10.545 11.780 -13.260 1.00 12.32 H new ATOM 139 N SER A 11 15.004 12.812 -13.974 1.00 42.04 N ATOM 140 CA SER A 11 15.733 13.167 -15.186 1.00 62.12 C ATOM 141 C SER A 11 15.995 11.934 -16.044 1.00 44.31 C ATOM 142 O SER A 11 15.956 11.999 -17.274 1.00 12.52 O ATOM 143 CB SER A 11 17.058 13.845 -14.829 1.00 21.04 C ATOM 144 OG SER A 11 17.026 14.367 -13.512 1.00 41.22 O ATOM 0 H SER A 11 15.422 13.163 -13.112 1.00 42.04 H new ATOM 0 HA SER A 11 15.119 13.862 -15.759 1.00 62.12 H new ATOM 0 HB2 SER A 11 17.873 13.127 -14.919 1.00 21.04 H new ATOM 0 HB3 SER A 11 17.261 14.648 -15.537 1.00 21.04 H new ATOM 0 HG SER A 11 17.885 14.793 -13.308 1.00 41.22 H new ATOM 150 N LEU A 12 16.262 10.811 -15.389 1.00 33.34 N ATOM 151 CA LEU A 12 16.530 9.560 -16.090 1.00 75.42 C ATOM 152 C LEU A 12 15.354 8.598 -15.956 1.00 35.20 C ATOM 153 O LEU A 12 14.584 8.411 -16.898 1.00 0.15 O ATOM 154 CB LEU A 12 17.802 8.908 -15.544 1.00 2.20 C ATOM 155 CG LEU A 12 19.102 9.681 -15.770 1.00 73.31 C ATOM 156 CD1 LEU A 12 19.254 10.784 -14.734 1.00 13.14 C ATOM 157 CD2 LEU A 12 20.296 8.739 -15.728 1.00 20.12 C ATOM 0 H LEU A 12 16.299 10.740 -14.372 1.00 33.34 H new ATOM 0 HA LEU A 12 16.671 9.788 -17.147 1.00 75.42 H new ATOM 0 HB2 LEU A 12 17.676 8.754 -14.472 1.00 2.20 H new ATOM 0 HB3 LEU A 12 17.905 7.922 -15.998 1.00 2.20 H new ATOM 0 HG LEU A 12 19.062 10.141 -16.757 1.00 73.31 H new ATOM 0 HD11 LEU A 12 20.185 11.323 -14.911 1.00 13.14 H new ATOM 0 HD12 LEU A 12 18.414 11.474 -14.812 1.00 13.14 H new ATOM 0 HD13 LEU A 12 19.272 10.346 -13.736 1.00 13.14 H new ATOM 0 HD21 LEU A 12 21.213 9.306 -15.891 1.00 20.12 H new ATOM 0 HD22 LEU A 12 20.340 8.250 -14.755 1.00 20.12 H new ATOM 0 HD23 LEU A 12 20.192 7.985 -16.508 1.00 20.12 H new ATOM 169 N GLN A 13 15.223 7.992 -14.781 1.00 30.44 N ATOM 170 CA GLN A 13 14.140 7.049 -14.524 1.00 61.33 C ATOM 171 C GLN A 13 14.158 5.911 -15.538 1.00 33.11 C ATOM 172 O GLN A 13 13.146 5.246 -15.757 1.00 41.10 O ATOM 173 CB GLN A 13 12.790 7.767 -14.570 1.00 21.41 C ATOM 174 CG GLN A 13 12.073 7.801 -13.230 1.00 21.14 C ATOM 175 CD GLN A 13 10.933 8.800 -13.202 1.00 73.21 C ATOM 176 OE1 GLN A 13 10.688 9.506 -14.181 1.00 64.24 O ATOM 177 NE2 GLN A 13 10.228 8.864 -12.079 1.00 74.12 N ATOM 0 H GLN A 13 15.853 8.137 -13.992 1.00 30.44 H new ATOM 0 HA GLN A 13 14.286 6.628 -13.529 1.00 61.33 H new ATOM 0 HB2 GLN A 13 12.943 8.789 -14.917 1.00 21.41 H new ATOM 0 HB3 GLN A 13 12.151 7.274 -15.302 1.00 21.41 H new ATOM 0 HG2 GLN A 13 11.686 6.807 -13.004 1.00 21.14 H new ATOM 0 HG3 GLN A 13 12.788 8.050 -12.446 1.00 21.14 H new ATOM 0 HE21 GLN A 13 10.466 8.260 -11.292 1.00 74.12 H new ATOM 0 HE22 GLN A 13 9.448 9.517 -12.003 1.00 74.12 H new ATOM 186 N ASN A 14 15.315 5.691 -16.154 1.00 60.11 N ATOM 187 CA ASN A 14 15.464 4.632 -17.146 1.00 32.25 C ATOM 188 C ASN A 14 16.882 4.610 -17.708 1.00 33.11 C ATOM 189 O ASN A 14 17.418 5.643 -18.112 1.00 1.20 O ATOM 190 CB ASN A 14 14.456 4.822 -18.281 1.00 71.00 C ATOM 191 CG ASN A 14 14.326 6.273 -18.701 1.00 40.31 C ATOM 192 OD1 ASN A 14 15.321 6.943 -18.977 1.00 72.14 O ATOM 193 ND2 ASN A 14 13.094 6.766 -18.752 1.00 52.40 N ATOM 0 H ASN A 14 16.163 6.232 -15.984 1.00 60.11 H new ATOM 0 HA ASN A 14 15.272 3.678 -16.655 1.00 32.25 H new ATOM 0 HB2 ASN A 14 14.762 4.224 -19.139 1.00 71.00 H new ATOM 0 HB3 ASN A 14 13.482 4.449 -17.964 1.00 71.00 H new ATOM 0 HD21 ASN A 14 12.944 7.736 -19.029 1.00 52.40 H new ATOM 0 HD22 ASN A 14 12.298 6.174 -18.515 1.00 52.40 H new ATOM 200 N LEU A 15 17.485 3.426 -17.733 1.00 4.01 N ATOM 201 CA LEU A 15 18.840 3.268 -18.247 1.00 62.03 C ATOM 202 C LEU A 15 19.839 4.050 -17.399 1.00 14.34 C ATOM 203 O LEU A 15 19.497 4.561 -16.331 1.00 73.22 O ATOM 204 CB LEU A 15 18.914 3.736 -19.701 1.00 2.53 C ATOM 205 CG LEU A 15 19.488 2.732 -20.702 1.00 22.55 C ATOM 206 CD1 LEU A 15 18.396 1.810 -21.220 1.00 21.12 C ATOM 207 CD2 LEU A 15 20.169 3.456 -21.853 1.00 43.13 C ATOM 0 H LEU A 15 17.056 2.561 -17.403 1.00 4.01 H new ATOM 0 HA LEU A 15 19.098 2.210 -18.198 1.00 62.03 H new ATOM 0 HB2 LEU A 15 17.910 4.008 -20.025 1.00 2.53 H new ATOM 0 HB3 LEU A 15 19.518 4.643 -19.739 1.00 2.53 H new ATOM 0 HG LEU A 15 20.234 2.124 -20.190 1.00 22.55 H new ATOM 0 HD11 LEU A 15 18.824 1.103 -21.931 1.00 21.12 H new ATOM 0 HD12 LEU A 15 17.955 1.264 -20.386 1.00 21.12 H new ATOM 0 HD13 LEU A 15 17.625 2.401 -21.715 1.00 21.12 H new ATOM 0 HD21 LEU A 15 20.571 2.726 -22.555 1.00 43.13 H new ATOM 0 HD22 LEU A 15 19.444 4.090 -22.364 1.00 43.13 H new ATOM 0 HD23 LEU A 15 20.980 4.072 -21.466 1.00 43.13 H new ATOM 219 N LEU A 16 21.073 4.141 -17.881 1.00 14.14 N ATOM 220 CA LEU A 16 22.121 4.862 -17.169 1.00 73.23 C ATOM 221 C LEU A 16 22.720 5.959 -18.046 1.00 32.44 C ATOM 222 O LEU A 16 23.929 5.997 -18.271 1.00 75.40 O ATOM 223 CB LEU A 16 23.219 3.896 -16.721 1.00 20.11 C ATOM 224 CG LEU A 16 22.760 2.697 -15.890 1.00 10.11 C ATOM 225 CD1 LEU A 16 23.862 1.652 -15.805 1.00 50.14 C ATOM 226 CD2 LEU A 16 22.338 3.143 -14.498 1.00 71.02 C ATOM 0 H LEU A 16 21.372 3.724 -18.762 1.00 14.14 H new ATOM 0 HA LEU A 16 21.674 5.327 -16.290 1.00 73.23 H new ATOM 0 HB2 LEU A 16 23.731 3.523 -17.608 1.00 20.11 H new ATOM 0 HB3 LEU A 16 23.953 4.455 -16.141 1.00 20.11 H new ATOM 0 HG LEU A 16 21.898 2.247 -16.383 1.00 10.11 H new ATOM 0 HD11 LEU A 16 23.517 0.807 -15.210 1.00 50.14 H new ATOM 0 HD12 LEU A 16 24.117 1.310 -16.808 1.00 50.14 H new ATOM 0 HD13 LEU A 16 24.743 2.090 -15.336 1.00 50.14 H new ATOM 0 HD21 LEU A 16 22.014 2.277 -13.921 1.00 71.02 H new ATOM 0 HD22 LEU A 16 23.181 3.618 -13.997 1.00 71.02 H new ATOM 0 HD23 LEU A 16 21.515 3.854 -14.577 1.00 71.02 H new ATOM 238 N VAL A 17 21.865 6.850 -18.535 1.00 52.41 N ATOM 239 CA VAL A 17 22.309 7.950 -19.384 1.00 15.34 C ATOM 240 C VAL A 17 23.177 8.930 -18.603 1.00 52.23 C ATOM 241 O VAL A 17 23.216 8.898 -17.374 1.00 32.12 O ATOM 242 CB VAL A 17 21.113 8.709 -19.990 1.00 34.40 C ATOM 243 CG1 VAL A 17 20.398 7.845 -21.018 1.00 30.12 C ATOM 244 CG2 VAL A 17 20.156 9.154 -18.895 1.00 13.54 C ATOM 0 H VAL A 17 20.861 6.832 -18.358 1.00 52.41 H new ATOM 0 HA VAL A 17 22.897 7.511 -20.190 1.00 15.34 H new ATOM 0 HB VAL A 17 21.487 9.599 -20.497 1.00 34.40 H new ATOM 0 HG11 VAL A 17 19.556 8.398 -21.435 1.00 30.12 H new ATOM 0 HG12 VAL A 17 21.091 7.582 -21.817 1.00 30.12 H new ATOM 0 HG13 VAL A 17 20.034 6.936 -20.539 1.00 30.12 H new ATOM 0 HG21 VAL A 17 19.317 9.689 -19.340 1.00 13.54 H new ATOM 0 HG22 VAL A 17 19.786 8.281 -18.358 1.00 13.54 H new ATOM 0 HG23 VAL A 17 20.678 9.812 -18.201 1.00 13.54 H new ATOM 254 N TYR A 18 23.871 9.801 -19.327 1.00 22.32 N ATOM 255 CA TYR A 18 24.742 10.791 -18.703 1.00 4.43 C ATOM 256 C TYR A 18 24.935 11.999 -19.615 1.00 24.23 C ATOM 257 O TYR A 18 25.767 11.981 -20.521 1.00 15.33 O ATOM 258 CB TYR A 18 26.098 10.169 -18.367 1.00 42.21 C ATOM 259 CG TYR A 18 26.120 9.442 -17.042 1.00 31.23 C ATOM 260 CD1 TYR A 18 25.991 10.136 -15.844 1.00 12.21 C ATOM 261 CD2 TYR A 18 26.270 8.062 -16.986 1.00 53.03 C ATOM 262 CE1 TYR A 18 26.011 9.475 -14.631 1.00 64.31 C ATOM 263 CE2 TYR A 18 26.289 7.394 -15.778 1.00 34.41 C ATOM 264 CZ TYR A 18 26.160 8.104 -14.602 1.00 51.31 C ATOM 265 OH TYR A 18 26.180 7.442 -13.396 1.00 54.14 O ATOM 0 H TYR A 18 23.848 9.842 -20.346 1.00 22.32 H new ATOM 0 HA TYR A 18 24.266 11.127 -17.782 1.00 4.43 H new ATOM 0 HB2 TYR A 18 26.375 9.472 -19.158 1.00 42.21 H new ATOM 0 HB3 TYR A 18 26.855 10.953 -18.354 1.00 42.21 H new ATOM 0 HD1 TYR A 18 25.873 11.209 -15.862 1.00 12.21 H new ATOM 0 HD2 TYR A 18 26.374 7.502 -17.904 1.00 53.03 H new ATOM 0 HE1 TYR A 18 25.910 10.029 -13.710 1.00 64.31 H new ATOM 0 HE2 TYR A 18 26.404 6.320 -15.754 1.00 34.41 H new ATOM 0 HH TYR A 18 26.291 6.481 -13.552 1.00 54.14 H new ATOM 275 N VAL A 19 24.158 13.049 -19.366 1.00 73.20 N ATOM 276 CA VAL A 19 24.244 14.268 -20.163 1.00 1.15 C ATOM 277 C VAL A 19 23.258 15.319 -19.666 1.00 32.14 C ATOM 278 O VAL A 19 22.087 15.024 -19.431 1.00 64.14 O ATOM 279 CB VAL A 19 23.969 13.986 -21.651 1.00 73.14 C ATOM 280 CG1 VAL A 19 22.669 13.214 -21.818 1.00 61.33 C ATOM 281 CG2 VAL A 19 23.933 15.285 -22.442 1.00 11.02 C ATOM 0 H VAL A 19 23.463 13.080 -18.620 1.00 73.20 H new ATOM 0 HA VAL A 19 25.260 14.646 -20.055 1.00 1.15 H new ATOM 0 HB VAL A 19 24.780 13.372 -22.042 1.00 73.14 H new ATOM 0 HG11 VAL A 19 22.492 13.024 -22.877 1.00 61.33 H new ATOM 0 HG12 VAL A 19 22.738 12.265 -21.286 1.00 61.33 H new ATOM 0 HG13 VAL A 19 21.844 13.799 -21.411 1.00 61.33 H new ATOM 0 HG21 VAL A 19 23.738 15.066 -23.492 1.00 11.02 H new ATOM 0 HG22 VAL A 19 23.143 15.927 -22.052 1.00 11.02 H new ATOM 0 HG23 VAL A 19 24.893 15.794 -22.350 1.00 11.02 H new ATOM 291 N ASN A 20 23.741 16.547 -19.507 1.00 52.02 N ATOM 292 CA ASN A 20 22.902 17.644 -19.038 1.00 2.13 C ATOM 293 C ASN A 20 21.739 17.888 -19.995 1.00 54.13 C ATOM 294 O ASN A 20 21.940 18.291 -21.142 1.00 31.45 O ATOM 295 CB ASN A 20 23.732 18.921 -18.889 1.00 2.03 C ATOM 296 CG ASN A 20 23.207 19.826 -17.791 1.00 70.01 C ATOM 297 OD1 ASN A 20 22.575 19.366 -16.841 1.00 32.13 O ATOM 298 ND2 ASN A 20 23.468 21.122 -17.919 1.00 51.41 N ATOM 0 H ASN A 20 24.709 16.807 -19.696 1.00 52.02 H new ATOM 0 HA ASN A 20 22.496 17.367 -18.065 1.00 2.13 H new ATOM 0 HB2 ASN A 20 24.767 18.655 -18.674 1.00 2.03 H new ATOM 0 HB3 ASN A 20 23.732 19.464 -19.834 1.00 2.03 H new ATOM 0 HD21 ASN A 20 23.140 21.780 -17.212 1.00 51.41 H new ATOM 0 HD22 ASN A 20 23.996 21.459 -18.724 1.00 51.41 H new ATOM 305 N TRP A 21 20.525 17.641 -19.517 1.00 45.42 N ATOM 306 CA TRP A 21 19.330 17.835 -20.330 1.00 40.14 C ATOM 307 C TRP A 21 19.324 16.887 -21.524 1.00 34.22 C ATOM 308 O TRP A 21 20.368 16.606 -22.111 1.00 60.33 O ATOM 309 CB TRP A 21 19.246 19.284 -20.814 1.00 53.13 C ATOM 310 CG TRP A 21 18.511 19.435 -22.112 1.00 52.04 C ATOM 311 CD1 TRP A 21 17.203 19.790 -22.277 1.00 21.34 C ATOM 312 CD2 TRP A 21 19.043 19.234 -23.426 1.00 34.11 C ATOM 313 NE1 TRP A 21 16.889 19.821 -23.613 1.00 42.34 N ATOM 314 CE2 TRP A 21 18.001 19.485 -24.340 1.00 43.42 C ATOM 315 CE3 TRP A 21 20.297 18.868 -23.920 1.00 71.15 C ATOM 316 CZ2 TRP A 21 18.176 19.381 -25.717 1.00 32.45 C ATOM 317 CZ3 TRP A 21 20.471 18.765 -25.287 1.00 55.40 C ATOM 318 CH2 TRP A 21 19.416 19.021 -26.173 1.00 41.01 C ATOM 0 H TRP A 21 20.342 17.306 -18.571 1.00 45.42 H new ATOM 0 HA TRP A 21 18.461 17.615 -19.710 1.00 40.14 H new ATOM 0 HB2 TRP A 21 18.751 19.886 -20.052 1.00 53.13 H new ATOM 0 HB3 TRP A 21 20.255 19.681 -20.928 1.00 53.13 H new ATOM 0 HD1 TRP A 21 16.516 20.014 -21.474 1.00 21.34 H new ATOM 0 HE1 TRP A 21 15.976 20.056 -24.002 1.00 42.34 H new ATOM 0 HE3 TRP A 21 21.117 18.669 -23.245 1.00 71.15 H new ATOM 0 HZ2 TRP A 21 17.363 19.577 -26.401 1.00 32.45 H new ATOM 0 HZ3 TRP A 21 21.437 18.482 -25.679 1.00 55.40 H new ATOM 0 HH2 TRP A 21 19.584 18.933 -27.236 1.00 41.01 H new ATOM 329 N SER A 22 18.141 16.394 -21.878 1.00 23.31 N ATOM 330 CA SER A 22 18.000 15.473 -22.999 1.00 41.41 C ATOM 331 C SER A 22 16.546 15.045 -23.171 1.00 74.32 C ATOM 332 O SER A 22 16.198 13.886 -22.945 1.00 15.01 O ATOM 333 CB SER A 22 18.886 14.244 -22.790 1.00 53.32 C ATOM 334 OG SER A 22 20.137 14.401 -23.437 1.00 34.21 O ATOM 0 H SER A 22 17.266 16.618 -21.404 1.00 23.31 H new ATOM 0 HA SER A 22 18.317 15.990 -23.905 1.00 41.41 H new ATOM 0 HB2 SER A 22 19.042 14.082 -21.724 1.00 53.32 H new ATOM 0 HB3 SER A 22 18.382 13.358 -23.177 1.00 53.32 H new ATOM 0 HG SER A 22 20.446 15.325 -23.332 1.00 34.21 H new ATOM 340 N SER A 23 15.700 15.989 -23.572 1.00 74.24 N ATOM 341 CA SER A 23 14.283 15.711 -23.771 1.00 2.11 C ATOM 342 C SER A 23 13.676 15.067 -22.528 1.00 42.01 C ATOM 343 O SER A 23 13.684 13.845 -22.382 1.00 31.01 O ATOM 344 CB SER A 23 14.086 14.796 -24.982 1.00 1.14 C ATOM 345 OG SER A 23 15.003 15.111 -26.015 1.00 32.24 O ATOM 0 H SER A 23 15.972 16.953 -23.765 1.00 74.24 H new ATOM 0 HA SER A 23 13.774 16.658 -23.954 1.00 2.11 H new ATOM 0 HB2 SER A 23 14.216 13.756 -24.681 1.00 1.14 H new ATOM 0 HB3 SER A 23 13.066 14.895 -25.354 1.00 1.14 H new ATOM 0 HG SER A 23 14.857 14.511 -26.776 1.00 32.24 H new ATOM 351 N TYR A 24 13.151 15.899 -21.636 1.00 22.32 N ATOM 352 CA TYR A 24 12.542 15.413 -20.403 1.00 12.33 C ATOM 353 C TYR A 24 11.560 14.281 -20.691 1.00 61.11 C ATOM 354 O TYR A 24 10.920 14.231 -21.742 1.00 24.51 O ATOM 355 CB TYR A 24 11.824 16.553 -19.680 1.00 64.35 C ATOM 356 CG TYR A 24 12.723 17.344 -18.755 1.00 15.23 C ATOM 357 CD1 TYR A 24 14.067 17.528 -19.051 1.00 31.33 C ATOM 358 CD2 TYR A 24 12.226 17.905 -17.585 1.00 32.25 C ATOM 359 CE1 TYR A 24 14.893 18.248 -18.208 1.00 10.50 C ATOM 360 CE2 TYR A 24 13.043 18.628 -16.737 1.00 63.54 C ATOM 361 CZ TYR A 24 14.375 18.796 -17.053 1.00 61.24 C ATOM 362 OH TYR A 24 15.192 19.515 -16.211 1.00 74.33 O ATOM 0 H TYR A 24 13.135 16.913 -21.743 1.00 22.32 H new ATOM 0 HA TYR A 24 13.336 15.028 -19.763 1.00 12.33 H new ATOM 0 HB2 TYR A 24 11.394 17.228 -20.420 1.00 64.35 H new ATOM 0 HB3 TYR A 24 10.995 16.142 -19.104 1.00 64.35 H new ATOM 0 HD1 TYR A 24 14.474 17.101 -19.956 1.00 31.33 H new ATOM 0 HD2 TYR A 24 11.184 17.774 -17.334 1.00 32.25 H new ATOM 0 HE1 TYR A 24 15.937 18.380 -18.452 1.00 10.50 H new ATOM 0 HE2 TYR A 24 12.641 19.059 -15.832 1.00 63.54 H new ATOM 0 HH TYR A 24 14.672 19.833 -15.444 1.00 74.33 H new ATOM 372 N PRO A 25 11.438 13.349 -19.734 1.00 12.12 N ATOM 373 CA PRO A 25 10.535 12.201 -19.859 1.00 14.11 C ATOM 374 C PRO A 25 9.067 12.606 -19.791 1.00 24.45 C ATOM 375 O PRO A 25 8.729 13.662 -19.254 1.00 54.31 O ATOM 376 CB PRO A 25 10.906 11.326 -18.659 1.00 14.12 C ATOM 377 CG PRO A 25 11.476 12.274 -17.661 1.00 22.02 C ATOM 378 CD PRO A 25 12.169 13.345 -18.456 1.00 72.32 C ATOM 0 HA PRO A 25 10.645 11.699 -20.820 1.00 14.11 H new ATOM 0 HB2 PRO A 25 10.033 10.809 -18.261 1.00 14.12 H new ATOM 0 HB3 PRO A 25 11.630 10.560 -18.936 1.00 14.12 H new ATOM 0 HG2 PRO A 25 10.692 12.699 -17.034 1.00 22.02 H new ATOM 0 HG3 PRO A 25 12.176 11.767 -16.996 1.00 22.02 H new ATOM 0 HD2 PRO A 25 12.114 14.313 -17.959 1.00 72.32 H new ATOM 0 HD3 PRO A 25 13.226 13.119 -18.598 1.00 72.32 H new ATOM 386 N LYS A 26 8.198 11.761 -20.334 1.00 31.21 N ATOM 387 CA LYS A 26 6.765 12.030 -20.333 1.00 32.23 C ATOM 388 C LYS A 26 6.052 11.176 -19.289 1.00 15.02 C ATOM 389 O LYS A 26 6.569 10.144 -18.859 1.00 34.11 O ATOM 390 CB LYS A 26 6.174 11.761 -21.718 1.00 51.32 C ATOM 391 CG LYS A 26 5.175 10.617 -21.741 1.00 2.04 C ATOM 392 CD LYS A 26 4.766 10.262 -23.160 1.00 54.13 C ATOM 393 CE LYS A 26 3.453 10.925 -23.545 1.00 12.32 C ATOM 394 NZ LYS A 26 2.798 10.236 -24.692 1.00 61.33 N ATOM 0 H LYS A 26 8.461 10.883 -20.781 1.00 31.21 H new ATOM 0 HA LYS A 26 6.618 13.080 -20.080 1.00 32.23 H new ATOM 0 HB2 LYS A 26 5.685 12.667 -22.077 1.00 51.32 H new ATOM 0 HB3 LYS A 26 6.984 11.539 -22.413 1.00 51.32 H new ATOM 0 HG2 LYS A 26 5.611 9.743 -21.258 1.00 2.04 H new ATOM 0 HG3 LYS A 26 4.292 10.893 -21.165 1.00 2.04 H new ATOM 0 HD2 LYS A 26 5.548 10.572 -23.853 1.00 54.13 H new ATOM 0 HD3 LYS A 26 4.669 9.180 -23.252 1.00 54.13 H new ATOM 0 HE2 LYS A 26 2.780 10.922 -22.688 1.00 12.32 H new ATOM 0 HE3 LYS A 26 3.635 11.968 -23.804 1.00 12.32 H new ATOM 0 HZ1 LYS A 26 1.906 10.718 -24.923 1.00 61.33 H new ATOM 0 HZ2 LYS A 26 3.429 10.260 -25.518 1.00 61.33 H new ATOM 0 HZ3 LYS A 26 2.601 9.247 -24.436 1.00 61.33 H new ATOM 408 N TYR A 27 4.863 11.611 -18.887 1.00 14.10 N ATOM 409 CA TYR A 27 4.080 10.886 -17.893 1.00 72.11 C ATOM 410 C TYR A 27 3.993 9.403 -18.244 1.00 23.14 C ATOM 411 O TYR A 27 3.422 9.030 -19.268 1.00 30.12 O ATOM 412 CB TYR A 27 2.675 11.480 -17.789 1.00 0.21 C ATOM 413 CG TYR A 27 1.598 10.449 -17.536 1.00 10.13 C ATOM 414 CD1 TYR A 27 1.389 9.932 -16.263 1.00 43.21 C ATOM 415 CD2 TYR A 27 0.791 9.989 -18.569 1.00 62.04 C ATOM 416 CE1 TYR A 27 0.407 8.989 -16.027 1.00 33.34 C ATOM 417 CE2 TYR A 27 -0.193 9.047 -18.342 1.00 43.33 C ATOM 418 CZ TYR A 27 -0.382 8.550 -17.070 1.00 64.24 C ATOM 419 OH TYR A 27 -1.361 7.611 -16.840 1.00 64.43 O ATOM 0 H TYR A 27 4.420 12.462 -19.234 1.00 14.10 H new ATOM 0 HA TYR A 27 4.581 10.984 -16.930 1.00 72.11 H new ATOM 0 HB2 TYR A 27 2.659 12.215 -16.984 1.00 0.21 H new ATOM 0 HB3 TYR A 27 2.446 12.013 -18.712 1.00 0.21 H new ATOM 0 HD1 TYR A 27 2.005 10.273 -15.444 1.00 43.21 H new ATOM 0 HD2 TYR A 27 0.936 10.375 -19.567 1.00 62.04 H new ATOM 0 HE1 TYR A 27 0.258 8.598 -15.031 1.00 33.34 H new ATOM 0 HE2 TYR A 27 -0.812 8.701 -19.157 1.00 43.33 H new ATOM 0 HH TYR A 27 -1.826 7.411 -17.679 1.00 64.43 H new ATOM 429 N GLU A 28 4.564 8.564 -17.385 1.00 23.22 N ATOM 430 CA GLU A 28 4.551 7.122 -17.603 1.00 64.13 C ATOM 431 C GLU A 28 3.826 6.407 -16.468 1.00 22.13 C ATOM 432 O GLU A 28 4.310 6.331 -15.337 1.00 73.15 O ATOM 433 CB GLU A 28 5.980 6.590 -17.726 1.00 64.11 C ATOM 434 CG GLU A 28 6.273 5.934 -19.064 1.00 44.54 C ATOM 435 CD GLU A 28 5.387 4.732 -19.331 1.00 24.22 C ATOM 436 OE1 GLU A 28 4.917 4.114 -18.352 1.00 32.03 O ATOM 437 OE2 GLU A 28 5.164 4.409 -20.516 1.00 33.11 O ATOM 0 H GLU A 28 5.041 8.858 -16.533 1.00 23.22 H new ATOM 0 HA GLU A 28 4.017 6.925 -18.532 1.00 64.13 H new ATOM 0 HB2 GLU A 28 6.679 7.412 -17.573 1.00 64.11 H new ATOM 0 HB3 GLU A 28 6.159 5.867 -16.930 1.00 64.11 H new ATOM 0 HG2 GLU A 28 6.137 6.665 -19.861 1.00 44.54 H new ATOM 0 HG3 GLU A 28 7.318 5.624 -19.091 1.00 44.54 H new ATOM 444 N PRO A 29 2.635 5.868 -16.772 1.00 65.54 N ATOM 445 CA PRO A 29 1.818 5.150 -15.791 1.00 11.22 C ATOM 446 C PRO A 29 2.430 3.811 -15.394 1.00 72.32 C ATOM 447 O PRO A 29 2.775 2.997 -16.250 1.00 60.23 O ATOM 448 CB PRO A 29 0.491 4.933 -16.525 1.00 42.03 C ATOM 449 CG PRO A 29 0.851 4.956 -17.970 1.00 13.40 C ATOM 450 CD PRO A 29 1.997 5.921 -18.098 1.00 73.11 C ATOM 0 HA PRO A 29 1.720 5.706 -14.858 1.00 11.22 H new ATOM 0 HB2 PRO A 29 0.034 3.983 -16.246 1.00 42.03 H new ATOM 0 HB3 PRO A 29 -0.228 5.716 -16.283 1.00 42.03 H new ATOM 0 HG2 PRO A 29 1.137 3.963 -18.316 1.00 13.40 H new ATOM 0 HG3 PRO A 29 0.004 5.274 -18.578 1.00 13.40 H new ATOM 0 HD2 PRO A 29 2.687 5.624 -18.888 1.00 73.11 H new ATOM 0 HD3 PRO A 29 1.651 6.926 -18.338 1.00 73.11 H new ATOM 458 N GLY A 30 2.564 3.589 -14.090 1.00 13.11 N ATOM 459 CA GLY A 30 3.135 2.347 -13.603 1.00 73.12 C ATOM 460 C GLY A 30 4.539 2.529 -13.060 1.00 50.34 C ATOM 461 O GLY A 30 5.315 1.576 -12.989 1.00 12.55 O ATOM 0 H GLY A 30 2.287 4.248 -13.362 1.00 13.11 H new ATOM 0 HA2 GLY A 30 2.496 1.939 -12.820 1.00 73.12 H new ATOM 0 HA3 GLY A 30 3.153 1.617 -14.412 1.00 73.12 H new ATOM 465 N LYS A 31 4.868 3.757 -12.676 1.00 65.44 N ATOM 466 CA LYS A 31 6.188 4.063 -12.136 1.00 11.25 C ATOM 467 C LYS A 31 6.088 5.065 -10.990 1.00 55.01 C ATOM 468 O LYS A 31 5.672 6.206 -11.187 1.00 71.52 O ATOM 469 CB LYS A 31 7.096 4.618 -13.236 1.00 2.42 C ATOM 470 CG LYS A 31 8.356 3.799 -13.455 1.00 64.43 C ATOM 471 CD LYS A 31 9.573 4.689 -13.644 1.00 35.11 C ATOM 472 CE LYS A 31 10.404 4.251 -14.840 1.00 74.15 C ATOM 473 NZ LYS A 31 11.423 3.232 -14.464 1.00 52.55 N ATOM 0 H LYS A 31 4.238 4.558 -12.729 1.00 65.44 H new ATOM 0 HA LYS A 31 6.619 3.139 -11.751 1.00 11.25 H new ATOM 0 HB2 LYS A 31 6.535 4.664 -14.170 1.00 2.42 H new ATOM 0 HB3 LYS A 31 7.377 5.640 -12.983 1.00 2.42 H new ATOM 0 HG2 LYS A 31 8.515 3.139 -12.602 1.00 64.43 H new ATOM 0 HG3 LYS A 31 8.230 3.163 -14.331 1.00 64.43 H new ATOM 0 HD2 LYS A 31 9.252 5.722 -13.781 1.00 35.11 H new ATOM 0 HD3 LYS A 31 10.187 4.663 -12.744 1.00 35.11 H new ATOM 0 HE2 LYS A 31 9.748 3.842 -15.608 1.00 74.15 H new ATOM 0 HE3 LYS A 31 10.901 5.119 -15.274 1.00 74.15 H new ATOM 0 HZ1 LYS A 31 12.364 3.552 -14.772 1.00 52.55 H new ATOM 0 HZ2 LYS A 31 11.421 3.104 -13.432 1.00 52.55 H new ATOM 0 HZ3 LYS A 31 11.196 2.328 -14.925 1.00 52.55 H new ATOM 487 N GLU A 32 6.475 4.630 -9.795 1.00 3.22 N ATOM 488 CA GLU A 32 6.429 5.491 -8.618 1.00 53.33 C ATOM 489 C GLU A 32 7.063 6.847 -8.912 1.00 65.41 C ATOM 490 O GLU A 32 8.107 6.930 -9.558 1.00 74.05 O ATOM 491 CB GLU A 32 7.147 4.824 -7.443 1.00 5.25 C ATOM 492 CG GLU A 32 6.229 4.493 -6.278 1.00 11.22 C ATOM 493 CD GLU A 32 5.164 3.478 -6.644 1.00 14.01 C ATOM 494 OE1 GLU A 32 5.269 2.876 -7.734 1.00 31.12 O ATOM 495 OE2 GLU A 32 4.227 3.284 -5.843 1.00 22.44 O ATOM 0 H GLU A 32 6.823 3.688 -9.616 1.00 3.22 H new ATOM 0 HA GLU A 32 5.383 5.648 -8.354 1.00 53.33 H new ATOM 0 HB2 GLU A 32 7.623 3.907 -7.792 1.00 5.25 H new ATOM 0 HB3 GLU A 32 7.942 5.482 -7.093 1.00 5.25 H new ATOM 0 HG2 GLU A 32 6.824 4.107 -5.450 1.00 11.22 H new ATOM 0 HG3 GLU A 32 5.749 5.407 -5.927 1.00 11.22 H new ATOM 502 N TYR A 33 6.424 7.908 -8.431 1.00 40.44 N ATOM 503 CA TYR A 33 6.922 9.263 -8.645 1.00 34.34 C ATOM 504 C TYR A 33 7.145 9.976 -7.316 1.00 22.43 C ATOM 505 O TYR A 33 6.194 10.351 -6.631 1.00 15.43 O ATOM 506 CB TYR A 33 5.942 10.059 -9.507 1.00 64.33 C ATOM 507 CG TYR A 33 5.907 9.617 -10.952 1.00 31.43 C ATOM 508 CD1 TYR A 33 6.975 9.870 -11.803 1.00 73.41 C ATOM 509 CD2 TYR A 33 4.805 8.943 -11.466 1.00 41.01 C ATOM 510 CE1 TYR A 33 6.947 9.468 -13.124 1.00 1.32 C ATOM 511 CE2 TYR A 33 4.769 8.535 -12.785 1.00 64.41 C ATOM 512 CZ TYR A 33 5.842 8.800 -13.610 1.00 44.53 C ATOM 513 OH TYR A 33 5.811 8.397 -14.926 1.00 5.13 O ATOM 0 H TYR A 33 5.561 7.856 -7.891 1.00 40.44 H new ATOM 0 HA TYR A 33 7.878 9.195 -9.165 1.00 34.34 H new ATOM 0 HB2 TYR A 33 4.942 9.967 -9.084 1.00 64.33 H new ATOM 0 HB3 TYR A 33 6.210 11.115 -9.465 1.00 64.33 H new ATOM 0 HD1 TYR A 33 7.843 10.390 -11.425 1.00 73.41 H new ATOM 0 HD2 TYR A 33 3.963 8.735 -10.823 1.00 41.01 H new ATOM 0 HE1 TYR A 33 7.785 9.675 -13.773 1.00 1.32 H new ATOM 0 HE2 TYR A 33 3.906 8.011 -13.168 1.00 64.41 H new ATOM 0 HH TYR A 33 5.542 7.456 -14.974 1.00 5.13 H new ATOM 523 N ASN A 34 8.411 10.162 -6.956 1.00 32.21 N ATOM 524 CA ASN A 34 8.761 10.830 -5.708 1.00 61.44 C ATOM 525 C ASN A 34 8.607 12.343 -5.839 1.00 74.43 C ATOM 526 O ASN A 34 8.393 12.860 -6.936 1.00 24.41 O ATOM 527 CB ASN A 34 10.197 10.485 -5.306 1.00 24.21 C ATOM 528 CG ASN A 34 10.579 9.068 -5.684 1.00 32.14 C ATOM 529 OD1 ASN A 34 10.486 8.149 -4.870 1.00 4.30 O ATOM 530 ND2 ASN A 34 11.012 8.883 -6.926 1.00 62.43 N ATOM 0 H ASN A 34 9.211 9.859 -7.511 1.00 32.21 H new ATOM 0 HA ASN A 34 8.079 10.479 -4.933 1.00 61.44 H new ATOM 0 HB2 ASN A 34 10.883 11.183 -5.785 1.00 24.21 H new ATOM 0 HB3 ASN A 34 10.311 10.614 -4.230 1.00 24.21 H new ATOM 0 HD21 ASN A 34 11.283 7.951 -7.238 1.00 62.43 H new ATOM 0 HD22 ASN A 34 11.073 9.673 -7.568 1.00 62.43 H new ATOM 537 N GLN A 35 8.718 13.043 -4.716 1.00 64.34 N ATOM 538 CA GLN A 35 8.592 14.496 -4.706 1.00 42.41 C ATOM 539 C GLN A 35 9.694 15.144 -5.538 1.00 45.44 C ATOM 540 O GLN A 35 10.851 14.731 -5.483 1.00 42.42 O ATOM 541 CB GLN A 35 8.642 15.024 -3.272 1.00 62.54 C ATOM 542 CG GLN A 35 10.048 15.085 -2.695 1.00 25.22 C ATOM 543 CD GLN A 35 10.728 13.730 -2.669 1.00 5.03 C ATOM 544 OE1 GLN A 35 10.054 12.741 -2.093 1.00 12.24 O flip ATOM 545 NE2 GLN A 35 11.846 13.575 -3.161 1.00 50.02 N flip ATOM 0 H GLN A 35 8.895 12.628 -3.801 1.00 64.34 H new ATOM 0 HA GLN A 35 7.629 14.755 -5.147 1.00 42.41 H new ATOM 0 HB2 GLN A 35 8.204 16.022 -3.245 1.00 62.54 H new ATOM 0 HB3 GLN A 35 8.025 14.388 -2.638 1.00 62.54 H new ATOM 0 HG2 GLN A 35 10.649 15.777 -3.285 1.00 25.22 H new ATOM 0 HG3 GLN A 35 10.004 15.484 -1.682 1.00 25.22 H new ATOM 0 HE21 GLN A 35 12.327 14.364 -3.593 1.00 50.02 H new ATOM 0 HE22 GLN A 35 12.291 12.658 -3.136 1.00 50.02 H new ATOM 554 N GLY A 36 9.324 16.162 -6.310 1.00 75.11 N ATOM 555 CA GLY A 36 10.293 16.850 -7.143 1.00 23.22 C ATOM 556 C GLY A 36 10.337 16.303 -8.555 1.00 13.24 C ATOM 557 O GLY A 36 10.757 16.993 -9.484 1.00 14.11 O ATOM 0 H GLY A 36 8.372 16.522 -6.373 1.00 75.11 H new ATOM 0 HA2 GLY A 36 10.050 17.912 -7.176 1.00 23.22 H new ATOM 0 HA3 GLY A 36 11.282 16.763 -6.692 1.00 23.22 H new ATOM 561 N ASP A 37 9.904 15.057 -8.718 1.00 34.01 N ATOM 562 CA ASP A 37 9.896 14.416 -10.028 1.00 31.13 C ATOM 563 C ASP A 37 9.002 15.179 -11.002 1.00 34.43 C ATOM 564 O ASP A 37 7.858 15.504 -10.683 1.00 14.32 O ATOM 565 CB ASP A 37 9.420 12.967 -9.907 1.00 54.43 C ATOM 566 CG ASP A 37 10.445 12.076 -9.234 1.00 11.33 C ATOM 567 OD1 ASP A 37 11.233 12.591 -8.414 1.00 41.12 O ATOM 568 OD2 ASP A 37 10.459 10.861 -9.527 1.00 41.33 O ATOM 0 H ASP A 37 9.554 14.471 -7.960 1.00 34.01 H new ATOM 0 HA ASP A 37 10.915 14.425 -10.416 1.00 31.13 H new ATOM 0 HB2 ASP A 37 8.490 12.939 -9.339 1.00 54.43 H new ATOM 0 HB3 ASP A 37 9.199 12.576 -10.900 1.00 54.43 H new ATOM 573 N ILE A 38 9.532 15.460 -12.186 1.00 73.13 N ATOM 574 CA ILE A 38 8.783 16.185 -13.205 1.00 33.20 C ATOM 575 C ILE A 38 8.655 15.361 -14.483 1.00 4.14 C ATOM 576 O ILE A 38 9.618 14.741 -14.934 1.00 32.44 O ATOM 577 CB ILE A 38 9.447 17.532 -13.542 1.00 25.02 C ATOM 578 CG1 ILE A 38 9.520 18.415 -12.294 1.00 21.43 C ATOM 579 CG2 ILE A 38 8.682 18.237 -14.651 1.00 44.15 C ATOM 580 CD1 ILE A 38 10.919 18.893 -11.973 1.00 64.12 C ATOM 0 H ILE A 38 10.477 15.197 -12.464 1.00 73.13 H new ATOM 0 HA ILE A 38 7.791 16.372 -12.793 1.00 33.20 H new ATOM 0 HB ILE A 38 10.462 17.343 -13.891 1.00 25.02 H new ATOM 0 HG12 ILE A 38 8.872 19.280 -12.433 1.00 21.43 H new ATOM 0 HG13 ILE A 38 9.130 17.858 -11.442 1.00 21.43 H new ATOM 0 HG21 ILE A 38 9.164 19.188 -14.878 1.00 44.15 H new ATOM 0 HG22 ILE A 38 8.676 17.611 -15.543 1.00 44.15 H new ATOM 0 HG23 ILE A 38 7.657 18.418 -14.328 1.00 44.15 H new ATOM 0 HD11 ILE A 38 10.895 19.513 -11.077 1.00 64.12 H new ATOM 0 HD12 ILE A 38 11.567 18.033 -11.802 1.00 64.12 H new ATOM 0 HD13 ILE A 38 11.304 19.477 -12.808 1.00 64.12 H new ATOM 592 N VAL A 39 7.459 15.362 -15.063 1.00 13.50 N ATOM 593 CA VAL A 39 7.205 14.617 -16.290 1.00 45.25 C ATOM 594 C VAL A 39 6.381 15.442 -17.272 1.00 1.53 C ATOM 595 O VAL A 39 5.619 16.322 -16.873 1.00 20.34 O ATOM 596 CB VAL A 39 6.470 13.295 -16.003 1.00 43.41 C ATOM 597 CG1 VAL A 39 7.156 12.536 -14.878 1.00 34.21 C ATOM 598 CG2 VAL A 39 5.010 13.560 -15.666 1.00 42.41 C ATOM 0 H VAL A 39 6.651 15.870 -14.703 1.00 13.50 H new ATOM 0 HA VAL A 39 8.176 14.394 -16.732 1.00 45.25 H new ATOM 0 HB VAL A 39 6.506 12.677 -16.900 1.00 43.41 H new ATOM 0 HG11 VAL A 39 6.622 11.604 -14.689 1.00 34.21 H new ATOM 0 HG12 VAL A 39 8.184 12.314 -15.163 1.00 34.21 H new ATOM 0 HG13 VAL A 39 7.154 13.145 -13.974 1.00 34.21 H new ATOM 0 HG21 VAL A 39 4.505 12.615 -15.466 1.00 42.41 H new ATOM 0 HG22 VAL A 39 4.950 14.197 -14.784 1.00 42.41 H new ATOM 0 HG23 VAL A 39 4.527 14.058 -16.507 1.00 42.41 H new ATOM 608 N GLU A 40 6.537 15.150 -18.560 1.00 42.50 N ATOM 609 CA GLU A 40 5.806 15.865 -19.599 1.00 40.33 C ATOM 610 C GLU A 40 4.494 15.157 -19.928 1.00 74.42 C ATOM 611 O GLU A 40 4.480 13.962 -20.228 1.00 63.34 O ATOM 612 CB GLU A 40 6.661 15.991 -20.861 1.00 71.01 C ATOM 613 CG GLU A 40 5.947 16.672 -22.016 1.00 74.04 C ATOM 614 CD GLU A 40 5.447 15.688 -23.056 1.00 22.14 C ATOM 615 OE1 GLU A 40 4.438 15.003 -22.787 1.00 21.23 O ATOM 616 OE2 GLU A 40 6.064 15.603 -24.137 1.00 53.11 O ATOM 0 H GLU A 40 7.163 14.424 -18.908 1.00 42.50 H new ATOM 0 HA GLU A 40 5.576 16.862 -19.224 1.00 40.33 H new ATOM 0 HB2 GLU A 40 7.565 16.552 -20.623 1.00 71.01 H new ATOM 0 HB3 GLU A 40 6.977 14.997 -21.176 1.00 71.01 H new ATOM 0 HG2 GLU A 40 5.104 17.246 -21.630 1.00 74.04 H new ATOM 0 HG3 GLU A 40 6.625 17.382 -22.490 1.00 74.04 H new ATOM 623 N TYR A 41 3.396 15.901 -19.870 1.00 63.40 N ATOM 624 CA TYR A 41 2.080 15.346 -20.159 1.00 32.03 C ATOM 625 C TYR A 41 1.231 16.336 -20.950 1.00 53.03 C ATOM 626 O TYR A 41 1.054 17.483 -20.543 1.00 33.02 O ATOM 627 CB TYR A 41 1.365 14.970 -18.859 1.00 62.41 C ATOM 628 CG TYR A 41 -0.075 14.558 -19.058 1.00 2.01 C ATOM 629 CD1 TYR A 41 -1.088 15.508 -19.114 1.00 3.15 C ATOM 630 CD2 TYR A 41 -0.425 13.219 -19.187 1.00 72.15 C ATOM 631 CE1 TYR A 41 -2.407 15.136 -19.294 1.00 52.10 C ATOM 632 CE2 TYR A 41 -1.740 12.839 -19.369 1.00 50.44 C ATOM 633 CZ TYR A 41 -2.728 13.801 -19.423 1.00 22.33 C ATOM 634 OH TYR A 41 -4.039 13.425 -19.602 1.00 1.42 O ATOM 0 H TYR A 41 3.391 16.891 -19.625 1.00 63.40 H new ATOM 0 HA TYR A 41 2.218 14.450 -20.764 1.00 32.03 H new ATOM 0 HB2 TYR A 41 1.905 14.153 -18.380 1.00 62.41 H new ATOM 0 HB3 TYR A 41 1.400 15.819 -18.176 1.00 62.41 H new ATOM 0 HD1 TYR A 41 -0.840 16.555 -19.015 1.00 3.15 H new ATOM 0 HD2 TYR A 41 0.345 12.463 -19.144 1.00 72.15 H new ATOM 0 HE1 TYR A 41 -3.182 15.887 -19.333 1.00 52.10 H new ATOM 0 HE2 TYR A 41 -1.994 11.794 -19.469 1.00 50.44 H new ATOM 0 HH TYR A 41 -4.092 12.449 -19.676 1.00 1.42 H new ATOM 644 N ASN A 42 0.709 15.883 -22.085 1.00 74.01 N ATOM 645 CA ASN A 42 -0.121 16.728 -22.936 1.00 13.34 C ATOM 646 C ASN A 42 0.608 18.017 -23.298 1.00 50.22 C ATOM 647 O ASN A 42 -0.008 19.074 -23.429 1.00 63.43 O ATOM 648 CB ASN A 42 -1.440 17.054 -22.234 1.00 4.01 C ATOM 649 CG ASN A 42 -2.443 15.921 -22.331 1.00 1.43 C ATOM 650 OD1 ASN A 42 -2.070 14.758 -22.485 1.00 61.22 O ATOM 651 ND2 ASN A 42 -3.726 16.256 -22.243 1.00 72.23 N ATOM 0 H ASN A 42 0.846 14.935 -22.437 1.00 74.01 H new ATOM 0 HA ASN A 42 -0.332 16.181 -23.855 1.00 13.34 H new ATOM 0 HB2 ASN A 42 -1.245 17.274 -21.184 1.00 4.01 H new ATOM 0 HB3 ASN A 42 -1.869 17.954 -22.674 1.00 4.01 H new ATOM 0 HD21 ASN A 42 -4.446 15.536 -22.303 1.00 72.23 H new ATOM 0 HD22 ASN A 42 -3.990 17.233 -22.115 1.00 72.23 H new ATOM 658 N GLY A 43 1.924 17.922 -23.461 1.00 31.32 N ATOM 659 CA GLY A 43 2.716 19.088 -23.807 1.00 64.31 C ATOM 660 C GLY A 43 2.882 20.043 -22.641 1.00 12.32 C ATOM 661 O GLY A 43 3.146 21.230 -22.834 1.00 35.41 O ATOM 0 H GLY A 43 2.456 17.058 -23.360 1.00 31.32 H new ATOM 0 HA2 GLY A 43 3.699 18.767 -24.152 1.00 64.31 H new ATOM 0 HA3 GLY A 43 2.242 19.612 -24.637 1.00 64.31 H new ATOM 665 N LYS A 44 2.726 19.525 -21.428 1.00 22.12 N ATOM 666 CA LYS A 44 2.860 20.339 -20.225 1.00 4.51 C ATOM 667 C LYS A 44 3.977 19.810 -19.331 1.00 14.51 C ATOM 668 O LYS A 44 4.668 18.854 -19.685 1.00 74.43 O ATOM 669 CB LYS A 44 1.540 20.362 -19.451 1.00 22.44 C ATOM 670 CG LYS A 44 0.403 21.025 -20.207 1.00 14.45 C ATOM 671 CD LYS A 44 -0.415 21.933 -19.304 1.00 10.14 C ATOM 672 CE LYS A 44 -1.184 22.971 -20.106 1.00 31.04 C ATOM 673 NZ LYS A 44 -2.621 22.608 -20.250 1.00 13.11 N ATOM 0 H LYS A 44 2.507 18.545 -21.251 1.00 22.12 H new ATOM 0 HA LYS A 44 3.113 21.354 -20.530 1.00 4.51 H new ATOM 0 HB2 LYS A 44 1.254 19.339 -19.206 1.00 22.44 H new ATOM 0 HB3 LYS A 44 1.691 20.885 -18.507 1.00 22.44 H new ATOM 0 HG2 LYS A 44 0.807 21.605 -21.037 1.00 14.45 H new ATOM 0 HG3 LYS A 44 -0.244 20.260 -20.637 1.00 14.45 H new ATOM 0 HD2 LYS A 44 -1.113 21.333 -18.719 1.00 10.14 H new ATOM 0 HD3 LYS A 44 0.245 22.434 -18.596 1.00 10.14 H new ATOM 0 HE2 LYS A 44 -1.102 23.942 -19.617 1.00 31.04 H new ATOM 0 HE3 LYS A 44 -0.734 23.073 -21.094 1.00 31.04 H new ATOM 0 HZ1 LYS A 44 -3.110 23.341 -20.803 1.00 13.11 H new ATOM 0 HZ2 LYS A 44 -2.701 21.694 -20.739 1.00 13.11 H new ATOM 0 HZ3 LYS A 44 -3.057 22.536 -19.308 1.00 13.11 H new ATOM 687 N LEU A 45 4.147 20.435 -18.171 1.00 12.50 N ATOM 688 CA LEU A 45 5.179 20.025 -17.225 1.00 54.52 C ATOM 689 C LEU A 45 4.666 20.105 -15.792 1.00 71.53 C ATOM 690 O LEU A 45 4.428 21.193 -15.267 1.00 43.22 O ATOM 691 CB LEU A 45 6.422 20.903 -17.385 1.00 51.44 C ATOM 692 CG LEU A 45 7.456 20.423 -18.403 1.00 74.33 C ATOM 693 CD1 LEU A 45 8.632 21.385 -18.465 1.00 24.30 C ATOM 694 CD2 LEU A 45 7.932 19.019 -18.058 1.00 22.51 C ATOM 0 H LEU A 45 3.584 21.227 -17.863 1.00 12.50 H new ATOM 0 HA LEU A 45 5.443 18.989 -17.439 1.00 54.52 H new ATOM 0 HB2 LEU A 45 6.100 21.905 -17.669 1.00 51.44 H new ATOM 0 HB3 LEU A 45 6.910 20.988 -16.414 1.00 51.44 H new ATOM 0 HG LEU A 45 6.984 20.395 -19.385 1.00 74.33 H new ATOM 0 HD11 LEU A 45 9.357 21.026 -19.195 1.00 24.30 H new ATOM 0 HD12 LEU A 45 8.279 22.373 -18.760 1.00 24.30 H new ATOM 0 HD13 LEU A 45 9.104 21.446 -17.484 1.00 24.30 H new ATOM 0 HD21 LEU A 45 8.668 18.693 -18.793 1.00 22.51 H new ATOM 0 HD22 LEU A 45 8.386 19.022 -17.067 1.00 22.51 H new ATOM 0 HD23 LEU A 45 7.083 18.335 -18.066 1.00 22.51 H new ATOM 706 N TYR A 46 4.502 18.947 -15.162 1.00 54.45 N ATOM 707 CA TYR A 46 4.018 18.886 -13.789 1.00 2.03 C ATOM 708 C TYR A 46 5.089 18.326 -12.857 1.00 45.22 C ATOM 709 O TYR A 46 5.970 17.580 -13.284 1.00 32.44 O ATOM 710 CB TYR A 46 2.756 18.026 -13.708 1.00 10.20 C ATOM 711 CG TYR A 46 1.623 18.528 -14.574 1.00 73.35 C ATOM 712 CD1 TYR A 46 0.764 19.523 -14.122 1.00 15.44 C ATOM 713 CD2 TYR A 46 1.413 18.010 -15.847 1.00 62.31 C ATOM 714 CE1 TYR A 46 -0.271 19.984 -14.911 1.00 3.34 C ATOM 715 CE2 TYR A 46 0.381 18.467 -16.643 1.00 24.10 C ATOM 716 CZ TYR A 46 -0.460 19.454 -16.170 1.00 40.05 C ATOM 717 OH TYR A 46 -1.489 19.912 -16.959 1.00 23.14 O ATOM 0 H TYR A 46 4.697 18.038 -15.581 1.00 54.45 H new ATOM 0 HA TYR A 46 3.779 19.901 -13.470 1.00 2.03 H new ATOM 0 HB2 TYR A 46 3.002 17.006 -14.003 1.00 10.20 H new ATOM 0 HB3 TYR A 46 2.420 17.986 -12.672 1.00 10.20 H new ATOM 0 HD1 TYR A 46 0.909 19.942 -13.137 1.00 15.44 H new ATOM 0 HD2 TYR A 46 2.068 17.237 -16.220 1.00 62.31 H new ATOM 0 HE1 TYR A 46 -0.930 20.757 -14.544 1.00 3.34 H new ATOM 0 HE2 TYR A 46 0.233 18.054 -17.630 1.00 24.10 H new ATOM 0 HH TYR A 46 -1.833 20.753 -16.593 1.00 23.14 H new ATOM 727 N LYS A 47 5.005 18.691 -11.583 1.00 61.33 N ATOM 728 CA LYS A 47 5.965 18.226 -10.588 1.00 41.24 C ATOM 729 C LYS A 47 5.249 17.672 -9.360 1.00 31.41 C ATOM 730 O LYS A 47 4.471 18.373 -8.715 1.00 31.10 O ATOM 731 CB LYS A 47 6.898 19.366 -10.177 1.00 51.25 C ATOM 732 CG LYS A 47 7.775 19.034 -8.982 1.00 43.43 C ATOM 733 CD LYS A 47 9.122 19.732 -9.068 1.00 63.31 C ATOM 734 CE LYS A 47 9.209 20.898 -8.095 1.00 2.52 C ATOM 735 NZ LYS A 47 10.510 21.613 -8.200 1.00 22.10 N ATOM 0 H LYS A 47 4.281 19.308 -11.214 1.00 61.33 H new ATOM 0 HA LYS A 47 6.555 17.426 -11.035 1.00 41.24 H new ATOM 0 HB2 LYS A 47 7.534 19.626 -11.023 1.00 51.25 H new ATOM 0 HB3 LYS A 47 6.300 20.247 -9.945 1.00 51.25 H new ATOM 0 HG2 LYS A 47 7.268 19.331 -8.064 1.00 43.43 H new ATOM 0 HG3 LYS A 47 7.926 17.956 -8.928 1.00 43.43 H new ATOM 0 HD2 LYS A 47 9.917 19.018 -8.854 1.00 63.31 H new ATOM 0 HD3 LYS A 47 9.282 20.092 -10.084 1.00 63.31 H new ATOM 0 HE2 LYS A 47 8.395 21.596 -8.291 1.00 2.52 H new ATOM 0 HE3 LYS A 47 9.077 20.532 -7.077 1.00 2.52 H new ATOM 0 HZ1 LYS A 47 10.529 22.400 -7.521 1.00 22.10 H new ATOM 0 HZ2 LYS A 47 11.286 20.954 -7.988 1.00 22.10 H new ATOM 0 HZ3 LYS A 47 10.625 21.985 -9.164 1.00 22.10 H new ATOM 749 N ALA A 48 5.521 16.410 -9.042 1.00 41.23 N ATOM 750 CA ALA A 48 4.906 15.764 -7.888 1.00 51.14 C ATOM 751 C ALA A 48 5.326 16.444 -6.590 1.00 71.24 C ATOM 752 O ALA A 48 6.500 16.426 -6.219 1.00 23.54 O ATOM 753 CB ALA A 48 5.270 14.288 -7.855 1.00 51.10 C ATOM 0 H ALA A 48 6.162 15.815 -9.567 1.00 41.23 H new ATOM 0 HA ALA A 48 3.824 15.858 -7.983 1.00 51.14 H new ATOM 0 HB1 ALA A 48 4.805 13.818 -6.989 1.00 51.10 H new ATOM 0 HB2 ALA A 48 4.914 13.805 -8.765 1.00 51.10 H new ATOM 0 HB3 ALA A 48 6.353 14.182 -7.787 1.00 51.10 H new ATOM 759 N LYS A 49 4.361 17.044 -5.903 1.00 43.31 N ATOM 760 CA LYS A 49 4.629 17.731 -4.645 1.00 1.34 C ATOM 761 C LYS A 49 5.226 16.772 -3.619 1.00 61.42 C ATOM 762 O LYS A 49 6.219 17.090 -2.964 1.00 30.43 O ATOM 763 CB LYS A 49 3.342 18.348 -4.092 1.00 40.14 C ATOM 764 CG LYS A 49 2.540 19.112 -5.131 1.00 25.34 C ATOM 765 CD LYS A 49 1.580 20.094 -4.481 1.00 41.45 C ATOM 766 CE LYS A 49 1.573 21.431 -5.209 1.00 53.20 C ATOM 767 NZ LYS A 49 0.956 22.508 -4.386 1.00 13.23 N ATOM 0 H LYS A 49 3.384 17.069 -6.196 1.00 43.31 H new ATOM 0 HA LYS A 49 5.351 18.524 -4.840 1.00 1.34 H new ATOM 0 HB2 LYS A 49 2.720 17.557 -3.674 1.00 40.14 H new ATOM 0 HB3 LYS A 49 3.594 19.021 -3.273 1.00 40.14 H new ATOM 0 HG2 LYS A 49 3.219 19.649 -5.793 1.00 25.34 H new ATOM 0 HG3 LYS A 49 1.981 18.410 -5.749 1.00 25.34 H new ATOM 0 HD2 LYS A 49 0.574 19.674 -4.479 1.00 41.45 H new ATOM 0 HD3 LYS A 49 1.864 20.247 -3.440 1.00 41.45 H new ATOM 0 HE2 LYS A 49 2.595 21.710 -5.465 1.00 53.20 H new ATOM 0 HE3 LYS A 49 1.025 21.331 -6.146 1.00 53.20 H new ATOM 0 HZ1 LYS A 49 0.970 23.402 -4.917 1.00 13.23 H new ATOM 0 HZ2 LYS A 49 -0.027 22.254 -4.163 1.00 13.23 H new ATOM 0 HZ3 LYS A 49 1.494 22.621 -3.503 1.00 13.23 H new ATOM 781 N TYR A 50 4.617 15.599 -3.487 1.00 63.03 N ATOM 782 CA TYR A 50 5.089 14.596 -2.541 1.00 5.24 C ATOM 783 C TYR A 50 4.933 13.191 -3.115 1.00 33.34 C ATOM 784 O TYR A 50 4.336 13.003 -4.174 1.00 5.02 O ATOM 785 CB TYR A 50 4.322 14.708 -1.222 1.00 33.24 C ATOM 786 CG TYR A 50 2.919 14.145 -1.287 1.00 72.43 C ATOM 787 CD1 TYR A 50 1.976 14.679 -2.156 1.00 3.45 C ATOM 788 CD2 TYR A 50 2.540 13.079 -0.481 1.00 25.04 C ATOM 789 CE1 TYR A 50 0.694 14.169 -2.218 1.00 24.04 C ATOM 790 CE2 TYR A 50 1.260 12.562 -0.538 1.00 32.13 C ATOM 791 CZ TYR A 50 0.341 13.110 -1.406 1.00 52.42 C ATOM 792 OH TYR A 50 -0.936 12.599 -1.467 1.00 33.24 O ATOM 0 H TYR A 50 3.796 15.320 -4.023 1.00 63.03 H new ATOM 0 HA TYR A 50 6.147 14.778 -2.355 1.00 5.24 H new ATOM 0 HB2 TYR A 50 4.878 14.187 -0.443 1.00 33.24 H new ATOM 0 HB3 TYR A 50 4.270 15.757 -0.929 1.00 33.24 H new ATOM 0 HD1 TYR A 50 2.250 15.507 -2.794 1.00 3.45 H new ATOM 0 HD2 TYR A 50 3.257 12.647 0.201 1.00 25.04 H new ATOM 0 HE1 TYR A 50 -0.028 14.596 -2.898 1.00 24.04 H new ATOM 0 HE2 TYR A 50 0.981 11.732 0.095 1.00 32.13 H new ATOM 0 HH TYR A 50 -1.022 11.856 -0.833 1.00 33.24 H new ATOM 802 N TRP A 51 5.476 12.207 -2.407 1.00 25.15 N ATOM 803 CA TRP A 51 5.398 10.818 -2.844 1.00 12.14 C ATOM 804 C TRP A 51 3.961 10.433 -3.183 1.00 71.33 C ATOM 805 O TRP A 51 3.102 10.366 -2.304 1.00 64.14 O ATOM 806 CB TRP A 51 5.945 9.888 -1.760 1.00 24.45 C ATOM 807 CG TRP A 51 6.731 8.735 -2.306 1.00 44.31 C ATOM 808 CD1 TRP A 51 7.991 8.778 -2.831 1.00 70.13 C ATOM 809 CD2 TRP A 51 6.308 7.370 -2.383 1.00 32.23 C ATOM 810 NE1 TRP A 51 8.377 7.521 -3.231 1.00 24.12 N ATOM 811 CE2 TRP A 51 7.363 6.639 -2.965 1.00 0.32 C ATOM 812 CE3 TRP A 51 5.143 6.692 -2.015 1.00 1.24 C ATOM 813 CZ2 TRP A 51 7.284 5.267 -3.187 1.00 41.53 C ATOM 814 CZ3 TRP A 51 5.066 5.330 -2.236 1.00 41.44 C ATOM 815 CH2 TRP A 51 6.130 4.629 -2.818 1.00 64.03 C ATOM 0 H TRP A 51 5.975 12.345 -1.528 1.00 25.15 H new ATOM 0 HA TRP A 51 6.005 10.713 -3.743 1.00 12.14 H new ATOM 0 HB2 TRP A 51 6.579 10.463 -1.085 1.00 24.45 H new ATOM 0 HB3 TRP A 51 5.114 9.504 -1.168 1.00 24.45 H new ATOM 0 HD1 TRP A 51 8.595 9.669 -2.919 1.00 70.13 H new ATOM 0 HE1 TRP A 51 9.273 7.283 -3.657 1.00 24.12 H new ATOM 0 HE3 TRP A 51 4.317 7.223 -1.566 1.00 1.24 H new ATOM 0 HZ2 TRP A 51 8.104 4.725 -3.634 1.00 41.53 H new ATOM 0 HZ3 TRP A 51 4.170 4.797 -1.955 1.00 41.44 H new ATOM 0 HH2 TRP A 51 6.038 3.565 -2.979 1.00 64.03 H new ATOM 826 N THR A 52 3.708 10.181 -4.464 1.00 33.12 N ATOM 827 CA THR A 52 2.376 9.804 -4.918 1.00 14.34 C ATOM 828 C THR A 52 2.431 9.128 -6.284 1.00 35.43 C ATOM 829 O THR A 52 3.360 9.349 -7.061 1.00 60.12 O ATOM 830 CB THR A 52 1.443 11.027 -5.002 1.00 64.34 C ATOM 831 OG1 THR A 52 1.575 11.824 -3.820 1.00 41.54 O ATOM 832 CG2 THR A 52 -0.005 10.594 -5.170 1.00 34.33 C ATOM 0 H THR A 52 4.408 10.231 -5.204 1.00 33.12 H new ATOM 0 HA THR A 52 1.979 9.103 -4.183 1.00 14.34 H new ATOM 0 HB THR A 52 1.731 11.617 -5.872 1.00 64.34 H new ATOM 0 HG1 THR A 52 0.772 12.374 -3.705 1.00 41.54 H new ATOM 0 HG21 THR A 52 -0.644 11.475 -5.227 1.00 34.33 H new ATOM 0 HG22 THR A 52 -0.107 10.012 -6.086 1.00 34.33 H new ATOM 0 HG23 THR A 52 -0.304 9.984 -4.318 1.00 34.33 H new ATOM 840 N THR A 53 1.431 8.300 -6.570 1.00 52.42 N ATOM 841 CA THR A 53 1.367 7.590 -7.842 1.00 65.24 C ATOM 842 C THR A 53 0.006 7.774 -8.505 1.00 34.42 C ATOM 843 O THR A 53 -0.995 7.220 -8.052 1.00 13.14 O ATOM 844 CB THR A 53 1.638 6.085 -7.659 1.00 52.42 C ATOM 845 OG1 THR A 53 0.629 5.503 -6.825 1.00 51.35 O ATOM 846 CG2 THR A 53 3.009 5.853 -7.042 1.00 43.11 C ATOM 0 H THR A 53 0.654 8.105 -5.938 1.00 52.42 H new ATOM 0 HA THR A 53 2.140 8.015 -8.482 1.00 65.24 H new ATOM 0 HB THR A 53 1.614 5.612 -8.641 1.00 52.42 H new ATOM 0 HG1 THR A 53 -0.233 5.932 -7.007 1.00 51.35 H new ATOM 0 HG21 THR A 53 3.178 4.783 -6.922 1.00 43.11 H new ATOM 0 HG22 THR A 53 3.777 6.271 -7.693 1.00 43.11 H new ATOM 0 HG23 THR A 53 3.056 6.339 -6.067 1.00 43.11 H new ATOM 854 N SER A 54 -0.022 8.552 -9.582 1.00 61.22 N ATOM 855 CA SER A 54 -1.260 8.811 -10.306 1.00 12.41 C ATOM 856 C SER A 54 -1.019 9.762 -11.474 1.00 65.44 C ATOM 857 O SER A 54 -0.115 10.597 -11.450 1.00 71.35 O ATOM 858 CB SER A 54 -2.314 9.398 -9.364 1.00 54.12 C ATOM 859 OG SER A 54 -3.245 8.407 -8.960 1.00 63.53 O ATOM 0 H SER A 54 0.799 9.014 -9.972 1.00 61.22 H new ATOM 0 HA SER A 54 -1.624 7.863 -10.702 1.00 12.41 H new ATOM 0 HB2 SER A 54 -1.826 9.823 -8.487 1.00 54.12 H new ATOM 0 HB3 SER A 54 -2.839 10.213 -9.863 1.00 54.12 H new ATOM 0 HG SER A 54 -2.772 7.681 -8.502 1.00 63.53 H new ATOM 865 N PRO A 55 -1.848 9.635 -12.521 1.00 74.43 N ATOM 866 CA PRO A 55 -1.745 10.476 -13.718 1.00 35.14 C ATOM 867 C PRO A 55 -2.150 11.920 -13.449 1.00 63.33 C ATOM 868 O PRO A 55 -2.964 12.209 -12.572 1.00 3.44 O ATOM 869 CB PRO A 55 -2.722 9.819 -14.696 1.00 40.22 C ATOM 870 CG PRO A 55 -3.711 9.116 -13.831 1.00 62.53 C ATOM 871 CD PRO A 55 -2.948 8.662 -12.617 1.00 52.10 C ATOM 0 HA PRO A 55 -0.722 10.534 -14.089 1.00 35.14 H new ATOM 0 HB2 PRO A 55 -3.208 10.562 -15.329 1.00 40.22 H new ATOM 0 HB3 PRO A 55 -2.210 9.121 -15.359 1.00 40.22 H new ATOM 0 HG2 PRO A 55 -4.528 9.781 -13.552 1.00 62.53 H new ATOM 0 HG3 PRO A 55 -4.154 8.268 -14.354 1.00 62.53 H new ATOM 0 HD2 PRO A 55 -3.572 8.672 -11.723 1.00 52.10 H new ATOM 0 HD3 PRO A 55 -2.575 7.644 -12.734 1.00 52.10 H new ATOM 879 N PRO A 56 -1.569 12.852 -14.219 1.00 54.32 N ATOM 880 CA PRO A 56 -1.855 14.283 -14.083 1.00 45.41 C ATOM 881 C PRO A 56 -3.265 14.639 -14.544 1.00 2.42 C ATOM 882 O PRO A 56 -3.715 14.191 -15.598 1.00 15.23 O ATOM 883 CB PRO A 56 -0.813 14.942 -14.991 1.00 1.43 C ATOM 884 CG PRO A 56 -0.477 13.898 -15.999 1.00 70.44 C ATOM 885 CD PRO A 56 -0.589 12.580 -15.284 1.00 53.24 C ATOM 0 HA PRO A 56 -1.804 14.611 -13.045 1.00 45.41 H new ATOM 0 HB2 PRO A 56 -1.212 15.838 -15.467 1.00 1.43 H new ATOM 0 HB3 PRO A 56 0.069 15.246 -14.427 1.00 1.43 H new ATOM 0 HG2 PRO A 56 -1.160 13.941 -16.847 1.00 70.44 H new ATOM 0 HG3 PRO A 56 0.529 14.044 -16.392 1.00 70.44 H new ATOM 0 HD2 PRO A 56 -0.930 11.789 -15.951 1.00 53.24 H new ATOM 0 HD3 PRO A 56 0.370 12.261 -14.876 1.00 53.24 H new ATOM 893 N SER A 57 -3.957 15.447 -13.747 1.00 62.14 N ATOM 894 CA SER A 57 -5.317 15.860 -14.073 1.00 1.32 C ATOM 895 C SER A 57 -5.884 16.767 -12.985 1.00 3.32 C ATOM 896 O SER A 57 -6.075 17.965 -13.196 1.00 32.41 O ATOM 897 CB SER A 57 -6.216 14.635 -14.252 1.00 30.14 C ATOM 898 OG SER A 57 -5.864 13.607 -13.343 1.00 23.34 O ATOM 0 H SER A 57 -3.599 15.828 -12.872 1.00 62.14 H new ATOM 0 HA SER A 57 -5.287 16.419 -15.009 1.00 1.32 H new ATOM 0 HB2 SER A 57 -7.257 14.919 -14.099 1.00 30.14 H new ATOM 0 HB3 SER A 57 -6.133 14.265 -15.274 1.00 30.14 H new ATOM 0 HG SER A 57 -6.454 12.836 -13.477 1.00 23.34 H new ATOM 904 N ASP A 58 -6.153 16.185 -11.820 1.00 60.14 N ATOM 905 CA ASP A 58 -6.698 16.939 -10.697 1.00 45.42 C ATOM 906 C ASP A 58 -6.059 16.497 -9.384 1.00 53.45 C ATOM 907 O ASP A 58 -6.187 15.341 -8.980 1.00 4.24 O ATOM 908 CB ASP A 58 -8.215 16.764 -10.626 1.00 13.44 C ATOM 909 CG ASP A 58 -8.965 17.970 -11.156 1.00 62.40 C ATOM 910 OD1 ASP A 58 -8.599 18.464 -12.243 1.00 25.20 O ATOM 911 OD2 ASP A 58 -9.915 18.422 -10.483 1.00 1.00 O ATOM 0 H ASP A 58 -6.002 15.194 -11.630 1.00 60.14 H new ATOM 0 HA ASP A 58 -6.469 17.993 -10.854 1.00 45.42 H new ATOM 0 HB2 ASP A 58 -8.503 15.882 -11.198 1.00 13.44 H new ATOM 0 HB3 ASP A 58 -8.508 16.584 -9.592 1.00 13.44 H new ATOM 916 N ASP A 59 -5.371 17.422 -8.725 1.00 43.34 N ATOM 917 CA ASP A 59 -4.712 17.128 -7.458 1.00 51.41 C ATOM 918 C ASP A 59 -5.415 17.835 -6.304 1.00 25.41 C ATOM 919 O ASP A 59 -4.999 18.903 -5.852 1.00 54.21 O ATOM 920 CB ASP A 59 -3.243 17.550 -7.513 1.00 31.10 C ATOM 921 CG ASP A 59 -3.017 18.743 -8.420 1.00 70.13 C ATOM 922 OD1 ASP A 59 -3.021 18.559 -9.655 1.00 65.03 O ATOM 923 OD2 ASP A 59 -2.836 19.862 -7.894 1.00 53.42 O ATOM 0 H ASP A 59 -5.255 18.383 -9.047 1.00 43.34 H new ATOM 0 HA ASP A 59 -4.766 16.053 -7.289 1.00 51.41 H new ATOM 0 HB2 ASP A 59 -2.900 17.792 -6.507 1.00 31.10 H new ATOM 0 HB3 ASP A 59 -2.640 16.712 -7.863 1.00 31.10 H new ATOM 928 N PRO A 60 -6.506 17.229 -5.813 1.00 13.23 N ATOM 929 CA PRO A 60 -7.289 17.783 -4.705 1.00 4.43 C ATOM 930 C PRO A 60 -6.540 17.723 -3.378 1.00 50.04 C ATOM 931 O PRO A 60 -6.942 18.351 -2.399 1.00 63.33 O ATOM 932 CB PRO A 60 -8.528 16.884 -4.661 1.00 72.45 C ATOM 933 CG PRO A 60 -8.080 15.595 -5.260 1.00 15.21 C ATOM 934 CD PRO A 60 -7.059 15.955 -6.303 1.00 21.31 C ATOM 0 HA PRO A 60 -7.516 18.838 -4.855 1.00 4.43 H new ATOM 0 HB2 PRO A 60 -8.880 16.745 -3.639 1.00 72.45 H new ATOM 0 HB3 PRO A 60 -9.353 17.318 -5.226 1.00 72.45 H new ATOM 0 HG2 PRO A 60 -7.649 14.941 -4.502 1.00 15.21 H new ATOM 0 HG3 PRO A 60 -8.919 15.059 -5.704 1.00 15.21 H new ATOM 0 HD2 PRO A 60 -6.288 15.190 -6.392 1.00 21.31 H new ATOM 0 HD3 PRO A 60 -7.513 16.066 -7.288 1.00 21.31 H new ATOM 942 N TYR A 61 -5.449 16.965 -3.354 1.00 52.42 N ATOM 943 CA TYR A 61 -4.645 16.822 -2.147 1.00 32.14 C ATOM 944 C TYR A 61 -3.270 17.456 -2.330 1.00 3.00 C ATOM 945 O TYR A 61 -2.468 17.510 -1.398 1.00 4.45 O ATOM 946 CB TYR A 61 -4.492 15.344 -1.782 1.00 44.11 C ATOM 947 CG TYR A 61 -4.692 14.409 -2.953 1.00 54.20 C ATOM 948 CD1 TYR A 61 -3.779 14.370 -4.000 1.00 13.41 C ATOM 949 CD2 TYR A 61 -5.793 13.563 -3.012 1.00 54.32 C ATOM 950 CE1 TYR A 61 -3.958 13.517 -5.072 1.00 52.01 C ATOM 951 CE2 TYR A 61 -5.978 12.706 -4.080 1.00 2.25 C ATOM 952 CZ TYR A 61 -5.059 12.687 -5.107 1.00 71.20 C ATOM 953 OH TYR A 61 -5.240 11.835 -6.173 1.00 44.40 O ATOM 0 H TYR A 61 -5.102 16.440 -4.157 1.00 52.42 H new ATOM 0 HA TYR A 61 -5.159 17.339 -1.336 1.00 32.14 H new ATOM 0 HB2 TYR A 61 -3.498 15.182 -1.364 1.00 44.11 H new ATOM 0 HB3 TYR A 61 -5.211 15.095 -1.001 1.00 44.11 H new ATOM 0 HD1 TYR A 61 -2.915 15.017 -3.975 1.00 13.41 H new ATOM 0 HD2 TYR A 61 -6.516 13.576 -2.210 1.00 54.32 H new ATOM 0 HE1 TYR A 61 -3.240 13.500 -5.878 1.00 52.01 H new ATOM 0 HE2 TYR A 61 -6.839 12.054 -4.110 1.00 2.25 H new ATOM 0 HH TYR A 61 -6.063 11.319 -6.043 1.00 44.40 H new ATOM 963 N GLY A 62 -3.004 17.938 -3.541 1.00 60.41 N ATOM 964 CA GLY A 62 -1.726 18.563 -3.826 1.00 23.22 C ATOM 965 C GLY A 62 -0.639 17.551 -4.129 1.00 34.33 C ATOM 966 O GLY A 62 0.448 17.606 -3.555 1.00 2.21 O ATOM 0 H GLY A 62 -3.651 17.907 -4.329 1.00 60.41 H new ATOM 0 HA2 GLY A 62 -1.837 19.238 -4.675 1.00 23.22 H new ATOM 0 HA3 GLY A 62 -1.424 19.171 -2.973 1.00 23.22 H new ATOM 970 N SER A 63 -0.934 16.622 -5.033 1.00 60.20 N ATOM 971 CA SER A 63 0.025 15.588 -5.407 1.00 0.12 C ATOM 972 C SER A 63 0.868 16.034 -6.598 1.00 44.40 C ATOM 973 O SER A 63 1.898 15.434 -6.903 1.00 44.25 O ATOM 974 CB SER A 63 -0.704 14.285 -5.744 1.00 21.32 C ATOM 975 OG SER A 63 -1.427 14.403 -6.956 1.00 63.21 O ATOM 0 H SER A 63 -1.828 16.564 -5.520 1.00 60.20 H new ATOM 0 HA SER A 63 0.687 15.417 -4.558 1.00 0.12 H new ATOM 0 HB2 SER A 63 0.017 13.472 -5.825 1.00 21.32 H new ATOM 0 HB3 SER A 63 -1.386 14.026 -4.934 1.00 21.32 H new ATOM 0 HG SER A 63 -0.811 14.321 -7.714 1.00 63.21 H new ATOM 981 N TRP A 64 0.422 17.092 -7.267 1.00 42.31 N ATOM 982 CA TRP A 64 1.134 17.619 -8.425 1.00 44.33 C ATOM 983 C TRP A 64 1.158 19.144 -8.401 1.00 21.23 C ATOM 984 O TRP A 64 0.333 19.776 -7.742 1.00 2.40 O ATOM 985 CB TRP A 64 0.481 17.129 -9.718 1.00 75.10 C ATOM 986 CG TRP A 64 0.858 15.722 -10.076 1.00 10.51 C ATOM 987 CD1 TRP A 64 0.089 14.604 -9.920 1.00 52.42 C ATOM 988 CD2 TRP A 64 2.094 15.285 -10.647 1.00 55.14 C ATOM 989 NE1 TRP A 64 0.774 13.497 -10.360 1.00 51.13 N ATOM 990 CE2 TRP A 64 2.007 13.888 -10.812 1.00 64.15 C ATOM 991 CE3 TRP A 64 3.267 15.936 -11.038 1.00 61.53 C ATOM 992 CZ2 TRP A 64 3.048 13.136 -11.349 1.00 32.15 C ATOM 993 CZ3 TRP A 64 4.301 15.187 -11.570 1.00 2.42 C ATOM 994 CH2 TRP A 64 4.185 13.799 -11.722 1.00 20.02 C ATOM 0 H TRP A 64 -0.429 17.601 -7.027 1.00 42.31 H new ATOM 0 HA TRP A 64 2.161 17.256 -8.384 1.00 44.33 H new ATOM 0 HB2 TRP A 64 -0.602 17.193 -9.617 1.00 75.10 H new ATOM 0 HB3 TRP A 64 0.765 17.793 -10.535 1.00 75.10 H new ATOM 0 HD1 TRP A 64 -0.910 14.592 -9.511 1.00 52.42 H new ATOM 0 HE1 TRP A 64 0.422 12.540 -10.352 1.00 51.13 H new ATOM 0 HE3 TRP A 64 3.365 17.006 -10.927 1.00 61.53 H new ATOM 0 HZ2 TRP A 64 2.961 12.066 -11.467 1.00 32.15 H new ATOM 0 HZ3 TRP A 64 5.213 15.680 -11.873 1.00 2.42 H new ATOM 0 HH2 TRP A 64 5.009 13.242 -12.142 1.00 20.02 H new ATOM 1005 N GLU A 65 2.110 19.728 -9.123 1.00 1.25 N ATOM 1006 CA GLU A 65 2.240 21.179 -9.182 1.00 23.01 C ATOM 1007 C GLU A 65 2.729 21.625 -10.557 1.00 72.55 C ATOM 1008 O GLU A 65 3.861 21.337 -10.949 1.00 5.34 O ATOM 1009 CB GLU A 65 3.205 21.671 -8.101 1.00 3.35 C ATOM 1010 CG GLU A 65 2.920 23.088 -7.631 1.00 2.34 C ATOM 1011 CD GLU A 65 3.911 23.567 -6.588 1.00 10.23 C ATOM 1012 OE1 GLU A 65 5.027 23.010 -6.530 1.00 4.05 O ATOM 1013 OE2 GLU A 65 3.569 24.499 -5.831 1.00 21.53 O ATOM 0 H GLU A 65 2.801 19.219 -9.674 1.00 1.25 H new ATOM 0 HA GLU A 65 1.256 21.614 -9.006 1.00 23.01 H new ATOM 0 HB2 GLU A 65 3.155 20.996 -7.246 1.00 3.35 H new ATOM 0 HB3 GLU A 65 4.224 21.623 -8.486 1.00 3.35 H new ATOM 0 HG2 GLU A 65 2.945 23.763 -8.487 1.00 2.34 H new ATOM 0 HG3 GLU A 65 1.912 23.134 -7.218 1.00 2.34 H new ATOM 1020 N TYR A 66 1.870 22.330 -11.284 1.00 32.32 N ATOM 1021 CA TYR A 66 2.213 22.814 -12.616 1.00 43.30 C ATOM 1022 C TYR A 66 3.284 23.898 -12.543 1.00 45.22 C ATOM 1023 O TYR A 66 3.040 24.995 -12.036 1.00 52.21 O ATOM 1024 CB TYR A 66 0.968 23.358 -13.321 1.00 33.35 C ATOM 1025 CG TYR A 66 1.281 24.211 -14.528 1.00 42.51 C ATOM 1026 CD1 TYR A 66 1.475 25.581 -14.404 1.00 75.15 C ATOM 1027 CD2 TYR A 66 1.380 23.647 -15.795 1.00 32.40 C ATOM 1028 CE1 TYR A 66 1.759 26.365 -15.505 1.00 53.42 C ATOM 1029 CE2 TYR A 66 1.666 24.423 -16.901 1.00 52.34 C ATOM 1030 CZ TYR A 66 1.854 25.782 -16.752 1.00 11.34 C ATOM 1031 OH TYR A 66 2.139 26.558 -17.851 1.00 44.13 O ATOM 0 H TYR A 66 0.931 22.579 -10.974 1.00 32.32 H new ATOM 0 HA TYR A 66 2.609 21.975 -13.188 1.00 43.30 H new ATOM 0 HB2 TYR A 66 0.341 22.522 -13.630 1.00 33.35 H new ATOM 0 HB3 TYR A 66 0.387 23.947 -12.611 1.00 33.35 H new ATOM 0 HD1 TYR A 66 1.402 26.041 -13.430 1.00 75.15 H new ATOM 0 HD2 TYR A 66 1.231 22.584 -15.916 1.00 32.40 H new ATOM 0 HE1 TYR A 66 1.906 27.429 -15.391 1.00 53.42 H new ATOM 0 HE2 TYR A 66 1.742 23.969 -17.878 1.00 52.34 H new ATOM 0 HH TYR A 66 1.765 26.138 -18.654 1.00 44.13 H new ATOM 1041 N LEU A 67 4.469 23.586 -13.053 1.00 33.01 N ATOM 1042 CA LEU A 67 5.579 24.533 -13.047 1.00 32.31 C ATOM 1043 C LEU A 67 5.717 25.217 -14.403 1.00 71.45 C ATOM 1044 O LEU A 67 6.112 26.380 -14.486 1.00 23.40 O ATOM 1045 CB LEU A 67 6.883 23.818 -12.689 1.00 3.13 C ATOM 1046 CG LEU A 67 6.786 22.751 -11.597 1.00 55.32 C ATOM 1047 CD1 LEU A 67 8.142 22.104 -11.361 1.00 2.12 C ATOM 1048 CD2 LEU A 67 6.248 23.354 -10.309 1.00 24.43 C ATOM 0 H LEU A 67 4.687 22.684 -13.476 1.00 33.01 H new ATOM 0 HA LEU A 67 5.371 25.295 -12.295 1.00 32.31 H new ATOM 0 HB2 LEU A 67 7.277 23.351 -13.591 1.00 3.13 H new ATOM 0 HB3 LEU A 67 7.610 24.567 -12.374 1.00 3.13 H new ATOM 0 HG LEU A 67 6.092 21.979 -11.930 1.00 55.32 H new ATOM 0 HD11 LEU A 67 8.053 21.348 -10.581 1.00 2.12 H new ATOM 0 HD12 LEU A 67 8.487 21.636 -12.283 1.00 2.12 H new ATOM 0 HD13 LEU A 67 8.859 22.864 -11.050 1.00 2.12 H new ATOM 0 HD21 LEU A 67 6.186 22.581 -9.543 1.00 24.43 H new ATOM 0 HD22 LEU A 67 6.916 24.146 -9.971 1.00 24.43 H new ATOM 0 HD23 LEU A 67 5.256 23.768 -10.488 1.00 24.43 H new ATOM 1060 N GLY A 68 5.388 24.489 -15.465 1.00 52.42 N ATOM 1061 CA GLY A 68 5.480 25.043 -16.803 1.00 52.41 C ATOM 1062 C GLY A 68 4.927 24.106 -17.859 1.00 73.52 C ATOM 1063 O GLY A 68 4.195 23.169 -17.543 1.00 13.03 O ATOM 0 H GLY A 68 5.059 23.524 -15.423 1.00 52.42 H new ATOM 0 HA2 GLY A 68 4.937 25.987 -16.840 1.00 52.41 H new ATOM 0 HA3 GLY A 68 6.523 25.266 -17.030 1.00 52.41 H new ATOM 1067 N GLU A 69 5.277 24.361 -19.116 1.00 12.34 N ATOM 1068 CA GLU A 69 4.808 23.533 -20.221 1.00 42.21 C ATOM 1069 C GLU A 69 5.975 23.074 -21.091 1.00 4.41 C ATOM 1070 O GLU A 69 7.036 23.697 -21.102 1.00 34.44 O ATOM 1071 CB GLU A 69 3.796 24.304 -21.071 1.00 22.31 C ATOM 1072 CG GLU A 69 2.373 23.787 -20.942 1.00 1.21 C ATOM 1073 CD GLU A 69 1.345 24.773 -21.464 1.00 15.13 C ATOM 1074 OE1 GLU A 69 1.250 25.885 -20.905 1.00 74.21 O ATOM 1075 OE2 GLU A 69 0.635 24.429 -22.433 1.00 50.13 O ATOM 0 H GLU A 69 5.883 25.133 -19.394 1.00 12.34 H new ATOM 0 HA GLU A 69 4.323 22.652 -19.801 1.00 42.21 H new ATOM 0 HB2 GLU A 69 3.819 25.355 -20.784 1.00 22.31 H new ATOM 0 HB3 GLU A 69 4.099 24.253 -22.117 1.00 22.31 H new ATOM 0 HG2 GLU A 69 2.281 22.848 -21.488 1.00 1.21 H new ATOM 0 HG3 GLU A 69 2.163 23.569 -19.895 1.00 1.21 H new ATOM 1082 N ALA A 70 5.769 21.981 -21.819 1.00 25.24 N ATOM 1083 CA ALA A 70 6.801 21.440 -22.693 1.00 32.33 C ATOM 1084 C ALA A 70 7.163 22.430 -23.795 1.00 11.34 C ATOM 1085 O ALA A 70 8.338 22.701 -24.035 1.00 43.05 O ATOM 1086 CB ALA A 70 6.344 20.120 -23.295 1.00 0.11 C ATOM 0 H ALA A 70 4.896 21.453 -21.820 1.00 25.24 H new ATOM 0 HA ALA A 70 7.694 21.263 -22.093 1.00 32.33 H new ATOM 0 HB1 ALA A 70 7.125 19.727 -23.946 1.00 0.11 H new ATOM 0 HB2 ALA A 70 6.144 19.406 -22.496 1.00 0.11 H new ATOM 0 HB3 ALA A 70 5.435 20.280 -23.875 1.00 0.11 H new ATOM 1092 N GLU A 71 6.144 22.965 -24.460 1.00 74.32 N ATOM 1093 CA GLU A 71 6.356 23.923 -25.539 1.00 20.51 C ATOM 1094 C GLU A 71 5.659 25.246 -25.236 1.00 22.25 C ATOM 1095 O GLU A 71 4.437 25.367 -25.322 1.00 51.31 O ATOM 1096 CB GLU A 71 5.844 23.355 -26.864 1.00 43.12 C ATOM 1097 CG GLU A 71 6.898 22.593 -27.649 1.00 5.12 C ATOM 1098 CD GLU A 71 6.332 21.918 -28.883 1.00 21.44 C ATOM 1099 OE1 GLU A 71 6.078 22.624 -29.881 1.00 21.33 O ATOM 1100 OE2 GLU A 71 6.143 20.683 -28.850 1.00 44.30 O ATOM 0 H GLU A 71 5.165 22.752 -24.271 1.00 74.32 H new ATOM 0 HA GLU A 71 7.427 24.107 -25.622 1.00 20.51 H new ATOM 0 HB2 GLU A 71 5.002 22.692 -26.664 1.00 43.12 H new ATOM 0 HB3 GLU A 71 5.467 24.173 -27.478 1.00 43.12 H new ATOM 0 HG2 GLU A 71 7.691 23.279 -27.946 1.00 5.12 H new ATOM 0 HG3 GLU A 71 7.353 21.841 -27.004 1.00 5.12 H new ATOM 1107 N PRO A 72 6.453 26.263 -24.870 1.00 31.50 N ATOM 1108 CA PRO A 72 5.935 27.595 -24.546 1.00 64.20 C ATOM 1109 C PRO A 72 5.401 28.324 -25.775 1.00 63.34 C ATOM 1110 O PRO A 72 6.082 28.420 -26.797 1.00 42.10 O ATOM 1111 CB PRO A 72 7.157 28.323 -23.980 1.00 43.44 C ATOM 1112 CG PRO A 72 8.326 27.630 -24.588 1.00 14.32 C ATOM 1113 CD PRO A 72 7.919 26.191 -24.745 1.00 2.10 C ATOM 0 HA PRO A 72 5.093 27.548 -23.856 1.00 64.20 H new ATOM 0 HB2 PRO A 72 7.144 29.381 -24.242 1.00 43.44 H new ATOM 0 HB3 PRO A 72 7.184 28.264 -22.892 1.00 43.44 H new ATOM 0 HG2 PRO A 72 8.583 28.070 -25.552 1.00 14.32 H new ATOM 0 HG3 PRO A 72 9.207 27.719 -23.952 1.00 14.32 H new ATOM 0 HD2 PRO A 72 8.376 25.738 -25.625 1.00 2.10 H new ATOM 0 HD3 PRO A 72 8.220 25.592 -23.886 1.00 2.10 H new ATOM 1121 N THR A 73 4.180 28.838 -25.668 1.00 62.25 N ATOM 1122 CA THR A 73 3.556 29.558 -26.771 1.00 43.22 C ATOM 1123 C THR A 73 4.197 30.927 -26.967 1.00 44.24 C ATOM 1124 O THR A 73 4.827 31.189 -27.993 1.00 31.35 O ATOM 1125 CB THR A 73 2.044 29.741 -26.538 1.00 72.13 C ATOM 1126 OG1 THR A 73 1.424 28.469 -26.321 1.00 14.21 O ATOM 1127 CG2 THR A 73 1.393 30.432 -27.727 1.00 21.45 C ATOM 0 H THR A 73 3.604 28.769 -24.829 1.00 62.25 H new ATOM 0 HA THR A 73 3.709 28.957 -27.667 1.00 43.22 H new ATOM 0 HB THR A 73 1.908 30.366 -25.655 1.00 72.13 H new ATOM 0 HG1 THR A 73 0.464 28.594 -26.172 1.00 14.21 H new ATOM 0 HG21 THR A 73 0.326 30.550 -27.540 1.00 21.45 H new ATOM 0 HG22 THR A 73 1.847 31.412 -27.871 1.00 21.45 H new ATOM 0 HG23 THR A 73 1.539 29.829 -28.623 1.00 21.45 H new TER 1135 THR A 73