USER MOD reduce.3.24.130724 H: found=0, std=0, add=571, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 572 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 22 GLN : amide:sc= -2.58 K(o=-2.6,f=-5.3!) USER MOD Set 1.2: A 88 CYS SG : rot 180:sc= 0 USER MOD Set 2.1: A 11 GLN : amide:sc= -0.97 K(o=-7.6,f=-4) USER MOD Set 2.2: A 43 TYR OH : rot -14:sc= -0.91 USER MOD Set 2.3: A 83 HIS : no HE2:sc= -5.72! C(o=-7.6!,f=-4!) USER MOD Set 3.1: A 34 THR OG1 : rot -78:sc= -0.0445 USER MOD Set 3.2: A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 2 SER OG : rot 32:sc= 0.0277 USER MOD Single : A 4 MET CE :methyl 177:sc= -0.499 (180deg=-0.5) USER MOD Single : A 5 GLN : amide:sc= -1.05 X(o=-1,f=-0.73) USER MOD Single : A 6 ASN : amide:sc= -0.243 K(o=-0.24,f=-1.8!) USER MOD Single : A 8 LYS NZ :NH3+ -130:sc= -0.73 (180deg=-1.94!) USER MOD Single : A 9 ASN : amide:sc= 0.324 X(o=0.32,f=0.51) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot -15:sc= -2.29 USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 75:sc= 0.52 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 174:sc= 0.883 USER MOD Single : A 32 GLN : amide:sc= -4.5! C(o=-4.5!,f=-11!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot -47:sc= 1.08 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -165:sc= -0.0507 (180deg=-0.326) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 167:sc= -0.0162 (180deg=-0.185) USER MOD Single : A 85 LYS NZ :NH3+ 166:sc= -0.038 (180deg=-0.258) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 161:sc= 1.91 (180deg=0.873!) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N SER A 2 -1.082 -6.457 1.608 1.00 23.31 N ATOM 21 CA SER A 2 -2.453 -6.881 1.230 1.00 71.13 C ATOM 22 C SER A 2 -2.877 -6.454 -0.195 1.00 3.42 C ATOM 23 O SER A 2 -2.888 -7.270 -1.121 1.00 45.51 O ATOM 24 CB SER A 2 -3.480 -6.361 2.255 1.00 13.14 C ATOM 25 OG SER A 2 -3.239 -6.890 3.553 1.00 32.52 O ATOM 0 HA SER A 2 -2.433 -7.971 1.232 1.00 71.13 H new ATOM 0 HB2 SER A 2 -3.439 -5.272 2.292 1.00 13.14 H new ATOM 0 HB3 SER A 2 -4.486 -6.631 1.932 1.00 13.14 H new ATOM 0 HG SER A 2 -2.278 -7.040 3.672 1.00 32.52 H new ATOM 31 N TRP A 3 -3.225 -5.173 -0.355 1.00 30.12 N ATOM 32 CA TRP A 3 -3.742 -4.633 -1.627 1.00 41.33 C ATOM 33 C TRP A 3 -2.908 -5.082 -2.837 1.00 11.30 C ATOM 34 O TRP A 3 -3.456 -5.468 -3.870 1.00 33.04 O ATOM 35 CB TRP A 3 -3.781 -3.099 -1.569 1.00 53.34 C ATOM 36 CG TRP A 3 -4.673 -2.561 -0.488 1.00 65.11 C ATOM 37 CD1 TRP A 3 -4.341 -2.331 0.818 1.00 63.05 C ATOM 38 CD2 TRP A 3 -6.048 -2.188 -0.624 1.00 44.23 C ATOM 39 NE1 TRP A 3 -5.426 -1.837 1.499 1.00 22.40 N ATOM 40 CE2 TRP A 3 -6.486 -1.740 0.635 1.00 14.14 C ATOM 41 CE3 TRP A 3 -6.951 -2.191 -1.691 1.00 54.21 C ATOM 42 CZ2 TRP A 3 -7.788 -1.296 0.856 1.00 23.21 C ATOM 43 CZ3 TRP A 3 -8.242 -1.750 -1.471 1.00 64.10 C ATOM 44 CH2 TRP A 3 -8.651 -1.310 -0.207 1.00 61.03 C ATOM 0 H TRP A 3 -3.158 -4.479 0.389 1.00 30.12 H new ATOM 0 HA TRP A 3 -4.749 -5.029 -1.758 1.00 41.33 H new ATOM 0 HB2 TRP A 3 -2.769 -2.724 -1.414 1.00 53.34 H new ATOM 0 HB3 TRP A 3 -4.119 -2.716 -2.532 1.00 53.34 H new ATOM 0 HD1 TRP A 3 -3.368 -2.511 1.251 1.00 63.05 H new ATOM 0 HE1 TRP A 3 -5.441 -1.583 2.487 1.00 22.40 H new ATOM 0 HE3 TRP A 3 -6.645 -2.532 -2.669 1.00 54.21 H new ATOM 0 HZ2 TRP A 3 -8.105 -0.953 1.830 1.00 23.21 H new ATOM 0 HZ3 TRP A 3 -8.948 -1.745 -2.289 1.00 64.10 H new ATOM 0 HH2 TRP A 3 -9.668 -0.975 -0.067 1.00 61.03 H new ATOM 55 N MET A 4 -1.585 -5.040 -2.688 1.00 20.33 N ATOM 56 CA MET A 4 -0.654 -5.456 -3.750 1.00 22.02 C ATOM 57 C MET A 4 -1.081 -6.771 -4.439 1.00 33.05 C ATOM 58 O MET A 4 -1.218 -6.821 -5.660 1.00 23.31 O ATOM 59 CB MET A 4 0.762 -5.592 -3.170 1.00 54.13 C ATOM 60 CG MET A 4 0.826 -6.434 -1.900 1.00 11.02 C ATOM 61 SD MET A 4 2.476 -6.495 -1.177 1.00 43.33 S ATOM 62 CE MET A 4 3.376 -7.397 -2.435 1.00 30.12 C ATOM 0 H MET A 4 -1.125 -4.720 -1.836 1.00 20.33 H new ATOM 0 HA MET A 4 -0.669 -4.683 -4.518 1.00 22.02 H new ATOM 0 HB2 MET A 4 1.412 -6.037 -3.923 1.00 54.13 H new ATOM 0 HB3 MET A 4 1.155 -4.598 -2.956 1.00 54.13 H new ATOM 0 HG2 MET A 4 0.129 -6.029 -1.167 1.00 11.02 H new ATOM 0 HG3 MET A 4 0.497 -7.448 -2.126 1.00 11.02 H new ATOM 0 HE1 MET A 4 4.426 -7.466 -2.152 1.00 30.12 H new ATOM 0 HE2 MET A 4 2.959 -8.400 -2.532 1.00 30.12 H new ATOM 0 HE3 MET A 4 3.291 -6.875 -3.388 1.00 30.12 H new ATOM 72 N GLN A 5 -1.311 -7.825 -3.657 1.00 60.42 N ATOM 73 CA GLN A 5 -1.698 -9.123 -4.223 1.00 44.11 C ATOM 74 C GLN A 5 -3.168 -9.106 -4.681 1.00 5.45 C ATOM 75 O GLN A 5 -3.522 -9.682 -5.714 1.00 72.45 O ATOM 76 CB GLN A 5 -1.476 -10.240 -3.189 1.00 4.12 C ATOM 77 CG GLN A 5 -2.524 -10.281 -2.079 1.00 1.03 C ATOM 78 CD GLN A 5 -2.214 -11.298 -0.996 1.00 45.15 C ATOM 79 OE1 GLN A 5 -3.111 -11.920 -0.436 1.00 74.44 O ATOM 80 NE2 GLN A 5 -0.954 -11.444 -0.653 1.00 35.31 N ATOM 0 H GLN A 5 -1.238 -7.810 -2.640 1.00 60.42 H new ATOM 0 HA GLN A 5 -1.072 -9.317 -5.094 1.00 44.11 H new ATOM 0 HB2 GLN A 5 -1.470 -11.201 -3.704 1.00 4.12 H new ATOM 0 HB3 GLN A 5 -0.491 -10.113 -2.739 1.00 4.12 H new ATOM 0 HG2 GLN A 5 -2.603 -9.292 -1.627 1.00 1.03 H new ATOM 0 HG3 GLN A 5 -3.496 -10.510 -2.515 1.00 1.03 H new ATOM 0 HE21 GLN A 5 -0.229 -10.914 -1.136 1.00 35.31 H new ATOM 0 HE22 GLN A 5 -0.701 -12.088 0.097 1.00 35.31 H new ATOM 89 N ASN A 6 -4.009 -8.413 -3.909 1.00 10.12 N ATOM 90 CA ASN A 6 -5.449 -8.341 -4.176 1.00 64.02 C ATOM 91 C ASN A 6 -5.729 -7.783 -5.584 1.00 30.31 C ATOM 92 O ASN A 6 -6.514 -8.347 -6.346 1.00 52.11 O ATOM 93 CB ASN A 6 -6.124 -7.471 -3.101 1.00 31.13 C ATOM 94 CG ASN A 6 -7.640 -7.589 -3.093 1.00 20.23 C ATOM 95 OD1 ASN A 6 -8.273 -7.802 -4.118 1.00 11.10 O ATOM 96 ND2 ASN A 6 -8.237 -7.450 -1.927 1.00 21.34 N ATOM 0 H ASN A 6 -3.714 -7.888 -3.086 1.00 10.12 H new ATOM 0 HA ASN A 6 -5.864 -9.348 -4.138 1.00 64.02 H new ATOM 0 HB2 ASN A 6 -5.740 -7.754 -2.121 1.00 31.13 H new ATOM 0 HB3 ASN A 6 -5.849 -6.429 -3.262 1.00 31.13 H new ATOM 0 HD21 ASN A 6 -9.253 -7.519 -1.863 1.00 21.34 H new ATOM 0 HD22 ASN A 6 -7.684 -7.273 -1.089 1.00 21.34 H new ATOM 103 N LEU A 7 -5.072 -6.677 -5.928 1.00 13.42 N ATOM 104 CA LEU A 7 -5.234 -6.070 -7.252 1.00 53.43 C ATOM 105 C LEU A 7 -4.393 -6.800 -8.317 1.00 12.12 C ATOM 106 O LEU A 7 -4.763 -6.820 -9.494 1.00 34.33 O ATOM 107 CB LEU A 7 -4.876 -4.571 -7.218 1.00 73.15 C ATOM 108 CG LEU A 7 -5.868 -3.649 -6.476 1.00 65.11 C ATOM 109 CD1 LEU A 7 -7.283 -3.824 -7.019 1.00 31.40 C ATOM 110 CD2 LEU A 7 -5.834 -3.891 -4.968 1.00 62.35 C ATOM 0 H LEU A 7 -4.425 -6.183 -5.313 1.00 13.42 H new ATOM 0 HA LEU A 7 -6.284 -6.170 -7.529 1.00 53.43 H new ATOM 0 HB2 LEU A 7 -3.896 -4.463 -6.754 1.00 73.15 H new ATOM 0 HB3 LEU A 7 -4.783 -4.218 -8.245 1.00 73.15 H new ATOM 0 HG LEU A 7 -5.557 -2.620 -6.654 1.00 65.11 H new ATOM 0 HD11 LEU A 7 -7.963 -3.164 -6.481 1.00 31.40 H new ATOM 0 HD12 LEU A 7 -7.299 -3.574 -8.080 1.00 31.40 H new ATOM 0 HD13 LEU A 7 -7.599 -4.859 -6.885 1.00 31.40 H new ATOM 0 HD21 LEU A 7 -6.544 -3.226 -4.477 1.00 62.35 H new ATOM 0 HD22 LEU A 7 -6.103 -4.927 -4.760 1.00 62.35 H new ATOM 0 HD23 LEU A 7 -4.831 -3.694 -4.590 1.00 62.35 H new ATOM 122 N LYS A 8 -3.273 -7.401 -7.895 1.00 61.33 N ATOM 123 CA LYS A 8 -2.395 -8.171 -8.798 1.00 54.32 C ATOM 124 C LYS A 8 -3.144 -9.360 -9.438 1.00 45.22 C ATOM 125 O LYS A 8 -2.797 -9.799 -10.536 1.00 4.41 O ATOM 126 CB LYS A 8 -1.159 -8.658 -8.006 1.00 31.10 C ATOM 127 CG LYS A 8 -0.014 -9.258 -8.836 1.00 22.04 C ATOM 128 CD LYS A 8 -0.252 -10.726 -9.202 1.00 14.10 C ATOM 129 CE LYS A 8 1.010 -11.393 -9.745 1.00 60.13 C ATOM 130 NZ LYS A 8 1.586 -10.662 -10.905 1.00 12.23 N ATOM 0 H LYS A 8 -2.949 -7.371 -6.928 1.00 61.33 H new ATOM 0 HA LYS A 8 -2.072 -7.524 -9.613 1.00 54.32 H new ATOM 0 HB2 LYS A 8 -0.764 -7.817 -7.436 1.00 31.10 H new ATOM 0 HB3 LYS A 8 -1.488 -9.406 -7.285 1.00 31.10 H new ATOM 0 HG2 LYS A 8 0.110 -8.676 -9.749 1.00 22.04 H new ATOM 0 HG3 LYS A 8 0.917 -9.174 -8.276 1.00 22.04 H new ATOM 0 HD2 LYS A 8 -0.598 -11.267 -8.322 1.00 14.10 H new ATOM 0 HD3 LYS A 8 -1.045 -10.790 -9.947 1.00 14.10 H new ATOM 0 HE2 LYS A 8 1.755 -11.454 -8.952 1.00 60.13 H new ATOM 0 HE3 LYS A 8 0.777 -12.415 -10.043 1.00 60.13 H new ATOM 0 HZ1 LYS A 8 1.764 -11.330 -11.682 1.00 12.23 H new ATOM 0 HZ2 LYS A 8 0.917 -9.932 -11.222 1.00 12.23 H new ATOM 0 HZ3 LYS A 8 2.481 -10.213 -10.623 1.00 12.23 H new ATOM 144 N ASN A 9 -4.160 -9.874 -8.734 1.00 4.23 N ATOM 145 CA ASN A 9 -4.994 -10.993 -9.224 1.00 65.23 C ATOM 146 C ASN A 9 -5.361 -10.863 -10.721 1.00 34.54 C ATOM 147 O ASN A 9 -5.229 -11.819 -11.489 1.00 43.03 O ATOM 148 CB ASN A 9 -6.278 -11.083 -8.383 1.00 33.40 C ATOM 149 CG ASN A 9 -7.206 -12.198 -8.838 1.00 64.52 C ATOM 150 OD1 ASN A 9 -8.074 -12.001 -9.677 1.00 1.12 O ATOM 151 ND2 ASN A 9 -7.032 -13.381 -8.288 1.00 32.45 N ATOM 0 H ASN A 9 -4.431 -9.532 -7.812 1.00 4.23 H new ATOM 0 HA ASN A 9 -4.403 -11.903 -9.120 1.00 65.23 H new ATOM 0 HB2 ASN A 9 -6.012 -11.243 -7.338 1.00 33.40 H new ATOM 0 HB3 ASN A 9 -6.808 -10.132 -8.435 1.00 33.40 H new ATOM 0 HD21 ASN A 9 -7.629 -14.162 -8.559 1.00 32.45 H new ATOM 0 HD22 ASN A 9 -6.300 -13.517 -7.591 1.00 32.45 H new ATOM 158 N TYR A 10 -5.822 -9.682 -11.127 1.00 4.11 N ATOM 159 CA TYR A 10 -6.249 -9.452 -12.515 1.00 4.14 C ATOM 160 C TYR A 10 -5.162 -8.736 -13.328 1.00 74.21 C ATOM 161 O TYR A 10 -4.839 -7.584 -13.054 1.00 44.44 O ATOM 162 CB TYR A 10 -7.535 -8.614 -12.545 1.00 34.45 C ATOM 163 CG TYR A 10 -8.700 -9.241 -11.801 1.00 1.42 C ATOM 164 CD1 TYR A 10 -9.479 -10.227 -12.397 1.00 14.22 C ATOM 165 CD2 TYR A 10 -9.021 -8.846 -10.506 1.00 45.51 C ATOM 166 CE1 TYR A 10 -10.543 -10.800 -11.725 1.00 72.34 C ATOM 167 CE2 TYR A 10 -10.083 -9.416 -9.830 1.00 21.11 C ATOM 168 CZ TYR A 10 -10.840 -10.391 -10.443 1.00 41.44 C ATOM 169 OH TYR A 10 -11.899 -10.961 -9.770 1.00 55.22 O ATOM 0 H TYR A 10 -5.911 -8.868 -10.520 1.00 4.11 H new ATOM 0 HA TYR A 10 -6.433 -10.428 -12.965 1.00 4.14 H new ATOM 0 HB2 TYR A 10 -7.328 -7.634 -12.115 1.00 34.45 H new ATOM 0 HB3 TYR A 10 -7.826 -8.451 -13.583 1.00 34.45 H new ATOM 0 HD1 TYR A 10 -9.249 -10.551 -13.401 1.00 14.22 H new ATOM 0 HD2 TYR A 10 -8.431 -8.082 -10.022 1.00 45.51 H new ATOM 0 HE1 TYR A 10 -11.138 -11.564 -12.202 1.00 72.34 H new ATOM 0 HE2 TYR A 10 -10.319 -9.099 -8.825 1.00 21.11 H new ATOM 0 HH TYR A 10 -11.972 -10.562 -8.878 1.00 55.22 H new ATOM 179 N GLN A 11 -4.599 -9.412 -14.331 1.00 2.42 N ATOM 180 CA GLN A 11 -3.617 -8.774 -15.219 1.00 31.01 C ATOM 181 C GLN A 11 -4.273 -8.224 -16.499 1.00 73.32 C ATOM 182 O GLN A 11 -3.721 -7.344 -17.163 1.00 3.31 O ATOM 183 CB GLN A 11 -2.475 -9.741 -15.574 1.00 42.23 C ATOM 184 CG GLN A 11 -1.401 -9.093 -16.449 1.00 45.23 C ATOM 185 CD GLN A 11 -0.048 -9.776 -16.382 1.00 63.23 C ATOM 186 OE1 GLN A 11 0.061 -10.988 -16.216 1.00 1.20 O ATOM 187 NE2 GLN A 11 1.001 -8.983 -16.474 1.00 70.42 N ATOM 0 H GLN A 11 -4.800 -10.388 -14.550 1.00 2.42 H new ATOM 0 HA GLN A 11 -3.197 -7.930 -14.672 1.00 31.01 H new ATOM 0 HB2 GLN A 11 -2.017 -10.108 -14.656 1.00 42.23 H new ATOM 0 HB3 GLN A 11 -2.886 -10.607 -16.093 1.00 42.23 H new ATOM 0 HG2 GLN A 11 -1.744 -9.091 -17.484 1.00 45.23 H new ATOM 0 HG3 GLN A 11 -1.285 -8.051 -16.150 1.00 45.23 H new ATOM 0 HE21 GLN A 11 0.872 -7.981 -16.612 1.00 70.42 H new ATOM 0 HE22 GLN A 11 1.942 -9.372 -16.407 1.00 70.42 H new ATOM 196 N HIS A 12 -5.455 -8.734 -16.841 1.00 35.20 N ATOM 197 CA HIS A 12 -6.189 -8.249 -18.017 1.00 22.51 C ATOM 198 C HIS A 12 -6.574 -6.771 -17.852 1.00 61.41 C ATOM 199 O HIS A 12 -7.535 -6.446 -17.154 1.00 5.31 O ATOM 200 CB HIS A 12 -7.438 -9.103 -18.260 1.00 62.32 C ATOM 201 CG HIS A 12 -7.120 -10.526 -18.601 1.00 42.15 C ATOM 202 ND1 HIS A 12 -7.360 -11.581 -17.749 1.00 72.41 N ATOM 203 CD2 HIS A 12 -6.577 -11.068 -19.716 1.00 1.51 C ATOM 204 CE1 HIS A 12 -6.983 -12.704 -18.321 1.00 73.51 C ATOM 205 NE2 HIS A 12 -6.505 -12.421 -19.513 1.00 20.14 N ATOM 0 H HIS A 12 -5.926 -9.478 -16.327 1.00 35.20 H new ATOM 0 HA HIS A 12 -5.534 -8.335 -18.884 1.00 22.51 H new ATOM 0 HB2 HIS A 12 -8.065 -9.081 -17.369 1.00 62.32 H new ATOM 0 HB3 HIS A 12 -8.020 -8.663 -19.070 1.00 62.32 H new ATOM 0 HD2 HIS A 12 -6.260 -10.534 -20.600 1.00 1.51 H new ATOM 0 HE1 HIS A 12 -7.054 -13.690 -17.886 1.00 73.51 H new ATOM 0 HE2 HIS A 12 -6.139 -13.100 -20.180 1.00 20.14 H new ATOM 214 N LEU A 13 -5.800 -5.887 -18.492 1.00 54.55 N ATOM 215 CA LEU A 13 -5.979 -4.432 -18.365 1.00 52.12 C ATOM 216 C LEU A 13 -5.744 -3.975 -16.912 1.00 21.51 C ATOM 217 O LEU A 13 -6.650 -4.017 -16.074 1.00 73.22 O ATOM 218 CB LEU A 13 -7.374 -4.005 -18.856 1.00 1.24 C ATOM 219 CG LEU A 13 -7.693 -4.371 -20.317 1.00 54.02 C ATOM 220 CD1 LEU A 13 -9.101 -3.910 -20.690 1.00 31.24 C ATOM 221 CD2 LEU A 13 -6.653 -3.771 -21.263 1.00 3.43 C ATOM 0 H LEU A 13 -5.035 -6.156 -19.110 1.00 54.55 H new ATOM 0 HA LEU A 13 -5.236 -3.945 -18.997 1.00 52.12 H new ATOM 0 HB2 LEU A 13 -8.125 -4.462 -18.211 1.00 1.24 H new ATOM 0 HB3 LEU A 13 -7.468 -2.925 -18.739 1.00 1.24 H new ATOM 0 HG LEU A 13 -7.653 -5.456 -20.417 1.00 54.02 H new ATOM 0 HD11 LEU A 13 -9.309 -4.177 -21.726 1.00 31.24 H new ATOM 0 HD12 LEU A 13 -9.827 -4.395 -20.038 1.00 31.24 H new ATOM 0 HD13 LEU A 13 -9.173 -2.829 -20.573 1.00 31.24 H new ATOM 0 HD21 LEU A 13 -6.897 -4.041 -22.290 1.00 3.43 H new ATOM 0 HD22 LEU A 13 -6.654 -2.686 -21.164 1.00 3.43 H new ATOM 0 HD23 LEU A 13 -5.666 -4.158 -21.011 1.00 3.43 H new ATOM 233 N ARG A 14 -4.518 -3.538 -16.620 1.00 13.05 N ATOM 234 CA ARG A 14 -4.111 -3.240 -15.240 1.00 61.44 C ATOM 235 C ARG A 14 -2.953 -2.226 -15.209 1.00 44.25 C ATOM 236 O ARG A 14 -2.471 -1.782 -16.253 1.00 63.13 O ATOM 237 CB ARG A 14 -3.688 -4.549 -14.542 1.00 13.23 C ATOM 238 CG ARG A 14 -4.021 -4.615 -13.053 1.00 3.43 C ATOM 239 CD ARG A 14 -5.528 -4.565 -12.816 1.00 42.33 C ATOM 240 NE ARG A 14 -5.897 -5.056 -11.489 1.00 42.32 N ATOM 241 CZ ARG A 14 -7.058 -4.859 -10.928 1.00 44.51 C ATOM 242 NH1 ARG A 14 -7.955 -4.125 -11.505 1.00 52.43 N ATOM 243 NH2 ARG A 14 -7.322 -5.402 -9.786 1.00 40.45 N ATOM 0 H ARG A 14 -3.789 -3.382 -17.316 1.00 13.05 H new ATOM 0 HA ARG A 14 -4.956 -2.797 -14.714 1.00 61.44 H new ATOM 0 HB2 ARG A 14 -4.171 -5.386 -15.046 1.00 13.23 H new ATOM 0 HB3 ARG A 14 -2.613 -4.680 -14.666 1.00 13.23 H new ATOM 0 HG2 ARG A 14 -3.615 -5.533 -12.628 1.00 3.43 H new ATOM 0 HG3 ARG A 14 -3.542 -3.785 -12.534 1.00 3.43 H new ATOM 0 HD2 ARG A 14 -5.878 -3.539 -12.932 1.00 42.33 H new ATOM 0 HD3 ARG A 14 -6.033 -5.162 -13.575 1.00 42.33 H new ATOM 0 HE ARG A 14 -5.200 -5.588 -10.967 1.00 42.32 H new ATOM 0 HH11 ARG A 14 -7.757 -3.694 -12.408 1.00 52.43 H new ATOM 0 HH12 ARG A 14 -8.859 -3.978 -11.057 1.00 52.43 H new ATOM 0 HH21 ARG A 14 -6.623 -5.984 -9.324 1.00 40.45 H new ATOM 0 HH22 ARG A 14 -8.229 -5.249 -9.346 1.00 40.45 H new ATOM 257 N ASP A 15 -2.518 -1.851 -14.009 1.00 5.01 N ATOM 258 CA ASP A 15 -1.367 -0.954 -13.844 1.00 1.04 C ATOM 259 C ASP A 15 -0.124 -1.734 -13.377 1.00 11.41 C ATOM 260 O ASP A 15 -0.242 -2.713 -12.644 1.00 1.43 O ATOM 261 CB ASP A 15 -1.708 0.151 -12.840 1.00 4.22 C ATOM 262 CG ASP A 15 -2.883 0.993 -13.301 1.00 65.45 C ATOM 263 OD1 ASP A 15 -2.673 1.934 -14.093 1.00 3.24 O ATOM 264 OD2 ASP A 15 -4.023 0.714 -12.886 1.00 21.21 O ATOM 0 H ASP A 15 -2.943 -2.153 -13.132 1.00 5.01 H new ATOM 0 HA ASP A 15 -1.140 -0.502 -14.810 1.00 1.04 H new ATOM 0 HB2 ASP A 15 -1.939 -0.296 -11.873 1.00 4.22 H new ATOM 0 HB3 ASP A 15 -0.838 0.791 -12.695 1.00 4.22 H new ATOM 269 N PRO A 16 1.092 -1.306 -13.776 1.00 32.44 N ATOM 270 CA PRO A 16 2.348 -1.985 -13.381 1.00 4.32 C ATOM 271 C PRO A 16 2.721 -1.769 -11.898 1.00 42.33 C ATOM 272 O PRO A 16 3.864 -1.997 -11.492 1.00 71.35 O ATOM 273 CB PRO A 16 3.391 -1.336 -14.304 1.00 23.25 C ATOM 274 CG PRO A 16 2.845 0.023 -14.586 1.00 65.14 C ATOM 275 CD PRO A 16 1.347 -0.140 -14.648 1.00 25.44 C ATOM 0 HA PRO A 16 2.271 -3.068 -13.480 1.00 4.32 H new ATOM 0 HB2 PRO A 16 4.367 -1.280 -13.822 1.00 23.25 H new ATOM 0 HB3 PRO A 16 3.521 -1.910 -15.222 1.00 23.25 H new ATOM 0 HG2 PRO A 16 3.129 0.728 -13.805 1.00 65.14 H new ATOM 0 HG3 PRO A 16 3.235 0.414 -15.526 1.00 65.14 H new ATOM 0 HD2 PRO A 16 0.831 0.750 -14.289 1.00 25.44 H new ATOM 0 HD3 PRO A 16 1.004 -0.318 -15.667 1.00 25.44 H new ATOM 283 N SER A 17 1.740 -1.382 -11.089 1.00 74.51 N ATOM 284 CA SER A 17 1.973 -1.033 -9.678 1.00 43.24 C ATOM 285 C SER A 17 2.108 -2.294 -8.824 1.00 61.42 C ATOM 286 O SER A 17 3.094 -2.484 -8.108 1.00 25.43 O ATOM 287 CB SER A 17 0.817 -0.178 -9.132 1.00 63.22 C ATOM 288 OG SER A 17 0.598 0.978 -9.925 1.00 31.54 O ATOM 0 H SER A 17 0.767 -1.299 -11.382 1.00 74.51 H new ATOM 0 HA SER A 17 2.900 -0.462 -9.627 1.00 43.24 H new ATOM 0 HB2 SER A 17 -0.094 -0.776 -9.101 1.00 63.22 H new ATOM 0 HB3 SER A 17 1.038 0.120 -8.107 1.00 63.22 H new ATOM 0 HG SER A 17 -0.144 1.496 -9.550 1.00 31.54 H new ATOM 294 N GLU A 18 1.109 -3.160 -8.928 1.00 2.21 N ATOM 295 CA GLU A 18 1.067 -4.415 -8.177 1.00 23.14 C ATOM 296 C GLU A 18 2.195 -5.359 -8.609 1.00 60.24 C ATOM 297 O GLU A 18 2.590 -6.247 -7.864 1.00 52.04 O ATOM 298 CB GLU A 18 -0.294 -5.095 -8.382 1.00 23.33 C ATOM 299 CG GLU A 18 -1.479 -4.338 -7.779 1.00 42.52 C ATOM 300 CD GLU A 18 -1.604 -2.905 -8.282 1.00 72.33 C ATOM 301 OE1 GLU A 18 -1.683 -2.704 -9.511 1.00 21.31 O ATOM 302 OE2 GLU A 18 -1.612 -1.975 -7.449 1.00 55.50 O ATOM 0 H GLU A 18 0.302 -3.015 -9.535 1.00 2.21 H new ATOM 0 HA GLU A 18 1.206 -4.186 -7.120 1.00 23.14 H new ATOM 0 HB2 GLU A 18 -0.466 -5.221 -9.451 1.00 23.33 H new ATOM 0 HB3 GLU A 18 -0.257 -6.093 -7.945 1.00 23.33 H new ATOM 0 HG2 GLU A 18 -2.399 -4.877 -8.008 1.00 42.52 H new ATOM 0 HG3 GLU A 18 -1.378 -4.326 -6.694 1.00 42.52 H new ATOM 309 N TYR A 19 2.706 -5.148 -9.818 1.00 31.13 N ATOM 310 CA TYR A 19 3.807 -5.953 -10.361 1.00 14.43 C ATOM 311 C TYR A 19 5.142 -5.479 -9.777 1.00 71.13 C ATOM 312 O TYR A 19 5.954 -6.279 -9.296 1.00 51.12 O ATOM 313 CB TYR A 19 3.813 -5.856 -11.894 1.00 43.10 C ATOM 314 CG TYR A 19 2.465 -6.197 -12.510 1.00 64.14 C ATOM 315 CD1 TYR A 19 1.371 -5.357 -12.331 1.00 72.40 C ATOM 316 CD2 TYR A 19 2.276 -7.362 -13.245 1.00 72.22 C ATOM 317 CE1 TYR A 19 0.138 -5.662 -12.864 1.00 21.52 C ATOM 318 CE2 TYR A 19 1.043 -7.673 -13.778 1.00 72.03 C ATOM 319 CZ TYR A 19 -0.023 -6.819 -13.585 1.00 71.13 C ATOM 320 OH TYR A 19 -1.251 -7.130 -14.112 1.00 15.31 O ATOM 0 H TYR A 19 2.374 -4.419 -10.450 1.00 31.13 H new ATOM 0 HA TYR A 19 3.665 -6.997 -10.081 1.00 14.43 H new ATOM 0 HB2 TYR A 19 4.097 -4.846 -12.189 1.00 43.10 H new ATOM 0 HB3 TYR A 19 4.571 -6.530 -12.293 1.00 43.10 H new ATOM 0 HD1 TYR A 19 1.491 -4.447 -11.762 1.00 72.40 H new ATOM 0 HD2 TYR A 19 3.107 -8.033 -13.401 1.00 72.22 H new ATOM 0 HE1 TYR A 19 -0.698 -4.994 -12.715 1.00 21.52 H new ATOM 0 HE2 TYR A 19 0.912 -8.583 -14.345 1.00 72.03 H new ATOM 0 HH TYR A 19 -1.938 -6.571 -13.693 1.00 15.31 H new ATOM 330 N MET A 20 5.342 -4.160 -9.802 1.00 34.50 N ATOM 331 CA MET A 20 6.484 -3.531 -9.137 1.00 42.51 C ATOM 332 C MET A 20 6.463 -3.826 -7.625 1.00 44.53 C ATOM 333 O MET A 20 7.502 -3.838 -6.963 1.00 23.32 O ATOM 334 CB MET A 20 6.458 -2.017 -9.388 1.00 54.12 C ATOM 335 CG MET A 20 7.625 -1.258 -8.771 1.00 73.33 C ATOM 336 SD MET A 20 7.563 0.508 -9.130 1.00 75.22 S ATOM 337 CE MET A 20 9.020 1.081 -8.259 1.00 32.20 C ATOM 0 H MET A 20 4.724 -3.504 -10.279 1.00 34.50 H new ATOM 0 HA MET A 20 7.404 -3.945 -9.549 1.00 42.51 H new ATOM 0 HB2 MET A 20 6.452 -1.839 -10.463 1.00 54.12 H new ATOM 0 HB3 MET A 20 5.527 -1.611 -8.993 1.00 54.12 H new ATOM 0 HG2 MET A 20 7.621 -1.407 -7.691 1.00 73.33 H new ATOM 0 HG3 MET A 20 8.562 -1.670 -9.146 1.00 73.33 H new ATOM 0 HE1 MET A 20 9.120 2.159 -8.386 1.00 32.20 H new ATOM 0 HE2 MET A 20 8.925 0.848 -7.198 1.00 32.20 H new ATOM 0 HE3 MET A 20 9.903 0.585 -8.662 1.00 32.20 H new ATOM 347 N SER A 21 5.260 -4.045 -7.089 1.00 21.43 N ATOM 348 CA SER A 21 5.086 -4.453 -5.686 1.00 44.41 C ATOM 349 C SER A 21 5.172 -5.982 -5.536 1.00 41.23 C ATOM 350 O SER A 21 5.469 -6.489 -4.458 1.00 73.22 O ATOM 351 CB SER A 21 3.727 -3.971 -5.148 1.00 44.02 C ATOM 352 OG SER A 21 3.602 -2.556 -5.215 1.00 71.23 O ATOM 0 H SER A 21 4.386 -3.947 -7.605 1.00 21.43 H new ATOM 0 HA SER A 21 5.891 -3.995 -5.111 1.00 44.41 H new ATOM 0 HB2 SER A 21 2.924 -4.434 -5.722 1.00 44.02 H new ATOM 0 HB3 SER A 21 3.609 -4.297 -4.115 1.00 44.02 H new ATOM 0 HG SER A 21 3.437 -2.286 -6.143 1.00 71.23 H new ATOM 358 N GLN A 22 4.911 -6.703 -6.628 1.00 21.45 N ATOM 359 CA GLN A 22 4.861 -8.173 -6.610 1.00 13.11 C ATOM 360 C GLN A 22 6.237 -8.768 -6.300 1.00 71.21 C ATOM 361 O GLN A 22 6.410 -9.470 -5.303 1.00 12.43 O ATOM 362 CB GLN A 22 4.329 -8.686 -7.966 1.00 24.04 C ATOM 363 CG GLN A 22 4.057 -10.191 -8.047 1.00 60.54 C ATOM 364 CD GLN A 22 5.288 -11.020 -8.377 1.00 14.23 C ATOM 365 OE1 GLN A 22 5.985 -11.505 -7.498 1.00 44.22 O ATOM 366 NE2 GLN A 22 5.569 -11.176 -9.655 1.00 23.41 N ATOM 0 H GLN A 22 4.729 -6.293 -7.544 1.00 21.45 H new ATOM 0 HA GLN A 22 4.184 -8.494 -5.818 1.00 13.11 H new ATOM 0 HB2 GLN A 22 3.405 -8.156 -8.197 1.00 24.04 H new ATOM 0 HB3 GLN A 22 5.049 -8.424 -8.741 1.00 24.04 H new ATOM 0 HG2 GLN A 22 3.648 -10.529 -7.095 1.00 60.54 H new ATOM 0 HG3 GLN A 22 3.294 -10.373 -8.804 1.00 60.54 H new ATOM 0 HE21 GLN A 22 4.967 -10.758 -10.364 1.00 23.41 H new ATOM 0 HE22 GLN A 22 6.389 -11.715 -9.935 1.00 23.41 H new ATOM 375 N VAL A 23 7.217 -8.474 -7.149 1.00 1.23 N ATOM 376 CA VAL A 23 8.577 -8.993 -6.946 1.00 32.03 C ATOM 377 C VAL A 23 9.638 -7.924 -7.224 1.00 33.33 C ATOM 378 O VAL A 23 9.620 -7.265 -8.263 1.00 33.12 O ATOM 379 CB VAL A 23 8.856 -10.244 -7.825 1.00 32.31 C ATOM 380 CG1 VAL A 23 8.744 -9.918 -9.316 1.00 4.41 C ATOM 381 CG2 VAL A 23 10.226 -10.844 -7.494 1.00 10.50 C ATOM 0 H VAL A 23 7.104 -7.887 -7.976 1.00 1.23 H new ATOM 0 HA VAL A 23 8.640 -9.285 -5.898 1.00 32.03 H new ATOM 0 HB VAL A 23 8.093 -10.988 -7.596 1.00 32.31 H new ATOM 0 HG11 VAL A 23 8.945 -10.816 -9.901 1.00 4.41 H new ATOM 0 HG12 VAL A 23 7.738 -9.560 -9.536 1.00 4.41 H new ATOM 0 HG13 VAL A 23 9.469 -9.146 -9.575 1.00 4.41 H new ATOM 0 HG21 VAL A 23 10.401 -11.719 -8.121 1.00 10.50 H new ATOM 0 HG22 VAL A 23 11.003 -10.102 -7.681 1.00 10.50 H new ATOM 0 HG23 VAL A 23 10.250 -11.139 -6.445 1.00 10.50 H new ATOM 391 N TYR A 24 10.557 -7.746 -6.280 1.00 35.44 N ATOM 392 CA TYR A 24 11.654 -6.789 -6.454 1.00 74.12 C ATOM 393 C TYR A 24 12.864 -7.463 -7.115 1.00 64.44 C ATOM 394 O TYR A 24 13.212 -8.586 -6.778 1.00 61.25 O ATOM 395 CB TYR A 24 12.073 -6.193 -5.103 1.00 61.41 C ATOM 396 CG TYR A 24 13.046 -5.030 -5.225 1.00 61.01 C ATOM 397 CD1 TYR A 24 14.419 -5.242 -5.340 1.00 12.00 C ATOM 398 CD2 TYR A 24 12.586 -3.717 -5.230 1.00 71.43 C ATOM 399 CE1 TYR A 24 15.298 -4.181 -5.456 1.00 1.42 C ATOM 400 CE2 TYR A 24 13.461 -2.655 -5.345 1.00 72.12 C ATOM 401 CZ TYR A 24 14.813 -2.892 -5.459 1.00 43.34 C ATOM 402 OH TYR A 24 15.684 -1.832 -5.567 1.00 60.13 O ATOM 0 H TYR A 24 10.568 -8.246 -5.391 1.00 35.44 H new ATOM 0 HA TYR A 24 11.297 -5.988 -7.101 1.00 74.12 H new ATOM 0 HB2 TYR A 24 11.182 -5.856 -4.572 1.00 61.41 H new ATOM 0 HB3 TYR A 24 12.529 -6.975 -4.496 1.00 61.41 H new ATOM 0 HD1 TYR A 24 14.802 -6.252 -5.338 1.00 12.00 H new ATOM 0 HD2 TYR A 24 11.527 -3.525 -5.142 1.00 71.43 H new ATOM 0 HE1 TYR A 24 16.359 -4.362 -5.544 1.00 1.42 H new ATOM 0 HE2 TYR A 24 13.087 -1.642 -5.346 1.00 72.12 H new ATOM 0 HH TYR A 24 15.180 -0.992 -5.554 1.00 60.13 H new ATOM 412 N GLY A 25 13.488 -6.771 -8.058 1.00 24.30 N ATOM 413 CA GLY A 25 14.704 -7.273 -8.687 1.00 21.51 C ATOM 414 C GLY A 25 15.259 -6.314 -9.733 1.00 24.34 C ATOM 415 O GLY A 25 15.149 -5.096 -9.589 1.00 13.54 O ATOM 0 H GLY A 25 13.175 -5.864 -8.404 1.00 24.30 H new ATOM 0 HA2 GLY A 25 15.460 -7.447 -7.921 1.00 21.51 H new ATOM 0 HA3 GLY A 25 14.496 -8.235 -9.155 1.00 21.51 H new ATOM 419 N ASP A 26 15.863 -6.855 -10.787 1.00 32.02 N ATOM 420 CA ASP A 26 16.349 -6.031 -11.892 1.00 54.44 C ATOM 421 C ASP A 26 15.184 -5.617 -12.813 1.00 34.13 C ATOM 422 O ASP A 26 14.208 -6.358 -12.953 1.00 25.14 O ATOM 423 CB ASP A 26 17.432 -6.783 -12.676 1.00 0.21 C ATOM 424 CG ASP A 26 18.676 -7.036 -11.837 1.00 35.31 C ATOM 425 OD1 ASP A 26 19.259 -6.056 -11.324 1.00 63.44 O ATOM 426 OD2 ASP A 26 19.078 -8.210 -11.683 1.00 52.02 O ATOM 0 H ASP A 26 16.028 -7.855 -10.900 1.00 32.02 H new ATOM 0 HA ASP A 26 16.791 -5.122 -11.484 1.00 54.44 H new ATOM 0 HB2 ASP A 26 17.031 -7.735 -13.025 1.00 0.21 H new ATOM 0 HB3 ASP A 26 17.703 -6.208 -13.561 1.00 0.21 H new ATOM 431 N PRO A 27 15.272 -4.426 -13.454 1.00 42.23 N ATOM 432 CA PRO A 27 14.178 -3.860 -14.280 1.00 73.30 C ATOM 433 C PRO A 27 13.473 -4.881 -15.198 1.00 30.25 C ATOM 434 O PRO A 27 12.264 -4.788 -15.436 1.00 4.40 O ATOM 435 CB PRO A 27 14.904 -2.801 -15.113 1.00 14.10 C ATOM 436 CG PRO A 27 16.009 -2.327 -14.230 1.00 31.12 C ATOM 437 CD PRO A 27 16.448 -3.528 -13.425 1.00 63.21 C ATOM 0 HA PRO A 27 13.368 -3.483 -13.656 1.00 73.30 H new ATOM 0 HB2 PRO A 27 15.290 -3.222 -16.041 1.00 14.10 H new ATOM 0 HB3 PRO A 27 14.236 -1.984 -15.387 1.00 14.10 H new ATOM 0 HG2 PRO A 27 16.835 -1.930 -14.819 1.00 31.12 H new ATOM 0 HG3 PRO A 27 15.668 -1.524 -13.577 1.00 31.12 H new ATOM 0 HD2 PRO A 27 17.325 -4.004 -13.864 1.00 63.21 H new ATOM 0 HD3 PRO A 27 16.713 -3.250 -12.405 1.00 63.21 H new ATOM 445 N LEU A 28 14.229 -5.858 -15.695 1.00 33.30 N ATOM 446 CA LEU A 28 13.686 -6.875 -16.605 1.00 44.04 C ATOM 447 C LEU A 28 12.563 -7.696 -15.945 1.00 73.04 C ATOM 448 O LEU A 28 11.578 -8.026 -16.593 1.00 52.41 O ATOM 449 CB LEU A 28 14.799 -7.818 -17.098 1.00 42.53 C ATOM 450 CG LEU A 28 15.834 -7.204 -18.062 1.00 70.33 C ATOM 451 CD1 LEU A 28 15.145 -6.570 -19.268 1.00 21.04 C ATOM 452 CD2 LEU A 28 16.724 -6.190 -17.347 1.00 70.55 C ATOM 0 H LEU A 28 15.221 -5.970 -15.485 1.00 33.30 H new ATOM 0 HA LEU A 28 13.261 -6.345 -17.457 1.00 44.04 H new ATOM 0 HB2 LEU A 28 15.329 -8.206 -16.228 1.00 42.53 H new ATOM 0 HB3 LEU A 28 14.332 -8.669 -17.593 1.00 42.53 H new ATOM 0 HG LEU A 28 16.473 -8.011 -18.421 1.00 70.33 H new ATOM 0 HD11 LEU A 28 15.896 -6.144 -19.933 1.00 21.04 H new ATOM 0 HD12 LEU A 28 14.576 -7.330 -19.803 1.00 21.04 H new ATOM 0 HD13 LEU A 28 14.471 -5.783 -18.930 1.00 21.04 H new ATOM 0 HD21 LEU A 28 17.443 -5.775 -18.053 1.00 70.55 H new ATOM 0 HD22 LEU A 28 16.108 -5.387 -16.942 1.00 70.55 H new ATOM 0 HD23 LEU A 28 17.257 -6.683 -16.534 1.00 70.55 H new ATOM 464 N ALA A 29 12.711 -8.010 -14.656 1.00 44.13 N ATOM 465 CA ALA A 29 11.706 -8.804 -13.927 1.00 45.20 C ATOM 466 C ALA A 29 10.299 -8.194 -14.046 1.00 15.35 C ATOM 467 O ALA A 29 9.357 -8.849 -14.504 1.00 2.11 O ATOM 468 CB ALA A 29 12.104 -8.935 -12.460 1.00 11.20 C ATOM 0 H ALA A 29 13.513 -7.730 -14.092 1.00 44.13 H new ATOM 0 HA ALA A 29 11.673 -9.794 -14.381 1.00 45.20 H new ATOM 0 HB1 ALA A 29 11.354 -9.523 -11.931 1.00 11.20 H new ATOM 0 HB2 ALA A 29 13.072 -9.431 -12.388 1.00 11.20 H new ATOM 0 HB3 ALA A 29 12.170 -7.944 -12.011 1.00 11.20 H new ATOM 474 N TYR A 30 10.177 -6.929 -13.648 1.00 64.33 N ATOM 475 CA TYR A 30 8.902 -6.203 -13.722 1.00 1.33 C ATOM 476 C TYR A 30 8.396 -6.156 -15.172 1.00 1.53 C ATOM 477 O TYR A 30 7.240 -6.481 -15.467 1.00 20.32 O ATOM 478 CB TYR A 30 9.076 -4.763 -13.209 1.00 1.30 C ATOM 479 CG TYR A 30 9.941 -4.630 -11.964 1.00 54.44 C ATOM 480 CD1 TYR A 30 9.402 -4.759 -10.689 1.00 3.33 C ATOM 481 CD2 TYR A 30 11.302 -4.363 -12.073 1.00 24.13 C ATOM 482 CE1 TYR A 30 10.195 -4.625 -9.562 1.00 3.03 C ATOM 483 CE2 TYR A 30 12.098 -4.230 -10.954 1.00 13.21 C ATOM 484 CZ TYR A 30 11.541 -4.361 -9.701 1.00 13.31 C ATOM 485 OH TYR A 30 12.335 -4.226 -8.585 1.00 24.21 O ATOM 0 H TYR A 30 10.948 -6.380 -13.268 1.00 64.33 H new ATOM 0 HA TYR A 30 8.178 -6.728 -13.100 1.00 1.33 H new ATOM 0 HB2 TYR A 30 9.513 -4.159 -14.004 1.00 1.30 H new ATOM 0 HB3 TYR A 30 8.091 -4.346 -12.997 1.00 1.30 H new ATOM 0 HD1 TYR A 30 8.348 -4.967 -10.576 1.00 3.33 H new ATOM 0 HD2 TYR A 30 11.744 -4.258 -13.053 1.00 24.13 H new ATOM 0 HE1 TYR A 30 9.761 -4.727 -8.578 1.00 3.03 H new ATOM 0 HE2 TYR A 30 13.153 -4.024 -11.060 1.00 13.21 H new ATOM 0 HH TYR A 30 13.272 -4.139 -8.859 1.00 24.21 H new ATOM 495 N LEU A 31 9.297 -5.756 -16.067 1.00 71.35 N ATOM 496 CA LEU A 31 8.991 -5.603 -17.493 1.00 21.14 C ATOM 497 C LEU A 31 8.495 -6.918 -18.125 1.00 4.24 C ATOM 498 O LEU A 31 7.582 -6.910 -18.953 1.00 42.21 O ATOM 499 CB LEU A 31 10.241 -5.099 -18.235 1.00 33.01 C ATOM 500 CG LEU A 31 10.041 -4.748 -19.721 1.00 24.25 C ATOM 501 CD1 LEU A 31 9.050 -3.597 -19.877 1.00 43.25 C ATOM 502 CD2 LEU A 31 11.378 -4.403 -20.378 1.00 73.35 C ATOM 0 H LEU A 31 10.262 -5.528 -15.826 1.00 71.35 H new ATOM 0 HA LEU A 31 8.184 -4.876 -17.585 1.00 21.14 H new ATOM 0 HB2 LEU A 31 10.615 -4.215 -17.719 1.00 33.01 H new ATOM 0 HB3 LEU A 31 11.016 -5.862 -18.162 1.00 33.01 H new ATOM 0 HG LEU A 31 9.628 -5.622 -20.225 1.00 24.25 H new ATOM 0 HD11 LEU A 31 8.924 -3.366 -20.935 1.00 43.25 H new ATOM 0 HD12 LEU A 31 8.089 -3.884 -19.451 1.00 43.25 H new ATOM 0 HD13 LEU A 31 9.429 -2.718 -19.356 1.00 43.25 H new ATOM 0 HD21 LEU A 31 11.215 -4.158 -21.428 1.00 73.35 H new ATOM 0 HD22 LEU A 31 11.823 -3.547 -19.870 1.00 73.35 H new ATOM 0 HD23 LEU A 31 12.051 -5.258 -20.305 1.00 73.35 H new ATOM 514 N GLN A 32 9.090 -8.042 -17.727 1.00 74.34 N ATOM 515 CA GLN A 32 8.724 -9.345 -18.294 1.00 52.25 C ATOM 516 C GLN A 32 7.335 -9.812 -17.834 1.00 40.45 C ATOM 517 O GLN A 32 6.552 -10.317 -18.642 1.00 55.21 O ATOM 518 CB GLN A 32 9.775 -10.417 -17.961 1.00 22.21 C ATOM 519 CG GLN A 32 11.143 -10.202 -18.618 1.00 70.24 C ATOM 520 CD GLN A 32 11.109 -10.178 -20.146 1.00 42.43 C ATOM 521 OE1 GLN A 32 10.145 -9.739 -20.764 1.00 24.02 O ATOM 522 NE2 GLN A 32 12.157 -10.675 -20.768 1.00 1.31 N ATOM 0 H GLN A 32 9.823 -8.080 -17.019 1.00 74.34 H new ATOM 0 HA GLN A 32 8.690 -9.209 -19.375 1.00 52.25 H new ATOM 0 HB2 GLN A 32 9.908 -10.451 -16.880 1.00 22.21 H new ATOM 0 HB3 GLN A 32 9.390 -11.390 -18.266 1.00 22.21 H new ATOM 0 HG2 GLN A 32 11.561 -9.261 -18.261 1.00 70.24 H new ATOM 0 HG3 GLN A 32 11.818 -10.994 -18.293 1.00 70.24 H new ATOM 0 HE21 GLN A 32 12.946 -11.034 -20.231 1.00 1.31 H new ATOM 0 HE22 GLN A 32 12.180 -10.701 -21.787 1.00 1.31 H new ATOM 531 N GLU A 33 7.017 -9.658 -16.547 1.00 12.43 N ATOM 532 CA GLU A 33 5.692 -10.060 -16.061 1.00 52.30 C ATOM 533 C GLU A 33 4.579 -9.246 -16.738 1.00 53.41 C ATOM 534 O GLU A 33 3.549 -9.800 -17.128 1.00 11.10 O ATOM 535 CB GLU A 33 5.571 -9.948 -14.528 1.00 23.41 C ATOM 536 CG GLU A 33 4.152 -10.246 -14.030 1.00 42.42 C ATOM 537 CD GLU A 33 4.045 -10.509 -12.533 1.00 54.24 C ATOM 538 OE1 GLU A 33 3.956 -9.547 -11.745 1.00 74.22 O ATOM 539 OE2 GLU A 33 3.983 -11.693 -12.140 1.00 60.44 O ATOM 0 H GLU A 33 7.638 -9.269 -15.838 1.00 12.43 H new ATOM 0 HA GLU A 33 5.572 -11.110 -16.327 1.00 52.30 H new ATOM 0 HB2 GLU A 33 6.270 -10.641 -14.060 1.00 23.41 H new ATOM 0 HB3 GLU A 33 5.859 -8.944 -14.216 1.00 23.41 H new ATOM 0 HG2 GLU A 33 3.508 -9.404 -14.284 1.00 42.42 H new ATOM 0 HG3 GLU A 33 3.768 -11.114 -14.566 1.00 42.42 H new ATOM 546 N THR A 34 4.796 -7.939 -16.890 1.00 53.22 N ATOM 547 CA THR A 34 3.796 -7.053 -17.507 1.00 1.53 C ATOM 548 C THR A 34 3.739 -7.212 -19.036 1.00 35.44 C ATOM 549 O THR A 34 2.661 -7.353 -19.614 1.00 12.32 O ATOM 550 CB THR A 34 4.072 -5.561 -17.187 1.00 25.41 C ATOM 551 OG1 THR A 34 5.335 -5.153 -17.744 1.00 31.10 O ATOM 552 CG2 THR A 34 4.076 -5.311 -15.681 1.00 60.10 C ATOM 0 H THR A 34 5.651 -7.467 -16.597 1.00 53.22 H new ATOM 0 HA THR A 34 2.840 -7.352 -17.078 1.00 1.53 H new ATOM 0 HB THR A 34 3.271 -4.973 -17.636 1.00 25.41 H new ATOM 0 HG1 THR A 34 6.063 -5.473 -17.172 1.00 31.10 H new ATOM 0 HG21 THR A 34 4.272 -4.256 -15.488 1.00 60.10 H new ATOM 0 HG22 THR A 34 3.106 -5.582 -15.265 1.00 60.10 H new ATOM 0 HG23 THR A 34 4.853 -5.916 -15.214 1.00 60.10 H new ATOM 560 N THR A 35 4.902 -7.182 -19.685 1.00 53.34 N ATOM 561 CA THR A 35 4.975 -7.188 -21.158 1.00 25.13 C ATOM 562 C THR A 35 5.026 -8.611 -21.745 1.00 31.44 C ATOM 563 O THR A 35 4.218 -8.962 -22.605 1.00 2.32 O ATOM 564 CB THR A 35 6.214 -6.402 -21.665 1.00 51.12 C ATOM 565 OG1 THR A 35 6.188 -5.054 -21.164 1.00 44.12 O ATOM 566 CG2 THR A 35 6.271 -6.376 -23.193 1.00 25.21 C ATOM 0 H THR A 35 5.810 -7.153 -19.221 1.00 53.34 H new ATOM 0 HA THR A 35 4.060 -6.704 -21.499 1.00 25.13 H new ATOM 0 HB THR A 35 7.103 -6.913 -21.295 1.00 51.12 H new ATOM 0 HG1 THR A 35 6.975 -4.569 -21.489 1.00 44.12 H new ATOM 0 HG21 THR A 35 7.150 -5.818 -23.515 1.00 25.21 H new ATOM 0 HG22 THR A 35 6.330 -7.396 -23.572 1.00 25.21 H new ATOM 0 HG23 THR A 35 5.374 -5.895 -23.582 1.00 25.21 H new ATOM 574 N LYS A 36 5.973 -9.425 -21.278 1.00 12.34 N ATOM 575 CA LYS A 36 6.242 -10.738 -21.890 1.00 62.34 C ATOM 576 C LYS A 36 5.080 -11.729 -21.693 1.00 53.33 C ATOM 577 O LYS A 36 4.658 -12.394 -22.641 1.00 40.14 O ATOM 578 CB LYS A 36 7.536 -11.337 -21.317 1.00 74.33 C ATOM 579 CG LYS A 36 8.125 -12.481 -22.149 1.00 12.30 C ATOM 580 CD LYS A 36 9.266 -12.017 -23.064 1.00 63.01 C ATOM 581 CE LYS A 36 8.849 -10.883 -23.998 1.00 75.41 C ATOM 582 NZ LYS A 36 9.934 -10.522 -24.944 1.00 0.42 N ATOM 0 H LYS A 36 6.569 -9.204 -20.480 1.00 12.34 H new ATOM 0 HA LYS A 36 6.353 -10.572 -22.961 1.00 62.34 H new ATOM 0 HB2 LYS A 36 8.281 -10.546 -21.230 1.00 74.33 H new ATOM 0 HB3 LYS A 36 7.338 -11.701 -20.309 1.00 74.33 H new ATOM 0 HG2 LYS A 36 8.494 -13.259 -21.481 1.00 12.30 H new ATOM 0 HG3 LYS A 36 7.337 -12.928 -22.755 1.00 12.30 H new ATOM 0 HD2 LYS A 36 10.106 -11.688 -22.452 1.00 63.01 H new ATOM 0 HD3 LYS A 36 9.616 -12.861 -23.658 1.00 63.01 H new ATOM 0 HE2 LYS A 36 7.962 -11.181 -24.558 1.00 75.41 H new ATOM 0 HE3 LYS A 36 8.575 -10.008 -23.408 1.00 75.41 H new ATOM 0 HZ1 LYS A 36 9.613 -9.749 -25.561 1.00 0.42 H new ATOM 0 HZ2 LYS A 36 10.772 -10.214 -24.410 1.00 0.42 H new ATOM 0 HZ3 LYS A 36 10.178 -11.350 -25.524 1.00 0.42 H new ATOM 596 N PHE A 37 4.581 -11.834 -20.454 1.00 30.25 N ATOM 597 CA PHE A 37 3.451 -12.718 -20.136 1.00 72.41 C ATOM 598 C PHE A 37 3.790 -14.218 -20.339 1.00 51.23 C ATOM 599 O PHE A 37 3.236 -14.873 -21.213 1.00 3.30 O ATOM 600 CB PHE A 37 2.208 -12.317 -20.954 1.00 50.12 C ATOM 601 CG PHE A 37 0.921 -12.954 -20.479 1.00 3.44 C ATOM 602 CD1 PHE A 37 0.239 -12.436 -19.386 1.00 52.24 C ATOM 603 CD2 PHE A 37 0.391 -14.062 -21.128 1.00 24.45 C ATOM 604 CE1 PHE A 37 -0.942 -13.010 -18.952 1.00 14.30 C ATOM 605 CE2 PHE A 37 -0.788 -14.640 -20.696 1.00 22.51 C ATOM 606 CZ PHE A 37 -1.456 -14.114 -19.607 1.00 31.23 C ATOM 0 H PHE A 37 4.943 -11.316 -19.653 1.00 30.25 H new ATOM 0 HA PHE A 37 3.233 -12.591 -19.076 1.00 72.41 H new ATOM 0 HB2 PHE A 37 2.098 -11.233 -20.919 1.00 50.12 H new ATOM 0 HB3 PHE A 37 2.371 -12.588 -21.997 1.00 50.12 H new ATOM 0 HD1 PHE A 37 0.635 -11.575 -18.869 1.00 52.24 H new ATOM 0 HD2 PHE A 37 0.907 -14.477 -21.981 1.00 24.45 H new ATOM 0 HE1 PHE A 37 -1.463 -12.596 -18.101 1.00 14.30 H new ATOM 0 HE2 PHE A 37 -1.187 -15.502 -21.210 1.00 22.51 H new ATOM 0 HZ PHE A 37 -2.377 -14.564 -19.268 1.00 31.23 H new ATOM 616 N VAL A 38 4.735 -14.712 -19.525 1.00 3.20 N ATOM 617 CA VAL A 38 5.056 -16.160 -19.339 1.00 1.33 C ATOM 618 C VAL A 38 5.552 -16.957 -20.580 1.00 1.55 C ATOM 619 O VAL A 38 6.559 -17.656 -20.485 1.00 43.30 O ATOM 620 CB VAL A 38 3.896 -16.953 -18.661 1.00 74.34 C ATOM 621 CG1 VAL A 38 2.694 -17.155 -19.583 1.00 32.52 C ATOM 622 CG2 VAL A 38 4.405 -18.297 -18.146 1.00 1.30 C ATOM 0 H VAL A 38 5.323 -14.106 -18.953 1.00 3.20 H new ATOM 0 HA VAL A 38 5.921 -16.090 -18.680 1.00 1.33 H new ATOM 0 HB VAL A 38 3.548 -16.349 -17.823 1.00 74.34 H new ATOM 0 HG11 VAL A 38 1.920 -17.713 -19.055 1.00 32.52 H new ATOM 0 HG12 VAL A 38 2.300 -16.185 -19.885 1.00 32.52 H new ATOM 0 HG13 VAL A 38 3.003 -17.712 -20.467 1.00 32.52 H new ATOM 0 HG21 VAL A 38 3.586 -18.840 -17.675 1.00 1.30 H new ATOM 0 HG22 VAL A 38 4.796 -18.881 -18.979 1.00 1.30 H new ATOM 0 HG23 VAL A 38 5.197 -18.131 -17.416 1.00 1.30 H new ATOM 632 N THR A 39 4.877 -16.856 -21.722 1.00 33.53 N ATOM 633 CA THR A 39 5.027 -17.843 -22.820 1.00 1.31 C ATOM 634 C THR A 39 6.353 -17.735 -23.615 1.00 34.32 C ATOM 635 O THR A 39 6.402 -18.099 -24.793 1.00 74.03 O ATOM 636 CB THR A 39 3.829 -17.733 -23.806 1.00 24.32 C ATOM 637 OG1 THR A 39 3.875 -18.780 -24.798 1.00 24.23 O ATOM 638 CG2 THR A 39 3.808 -16.368 -24.495 1.00 45.22 C ATOM 0 H THR A 39 4.217 -16.105 -21.924 1.00 33.53 H new ATOM 0 HA THR A 39 5.046 -18.816 -22.329 1.00 1.31 H new ATOM 0 HB THR A 39 2.916 -17.845 -23.222 1.00 24.32 H new ATOM 0 HG1 THR A 39 4.780 -18.838 -25.170 1.00 24.23 H new ATOM 0 HG21 THR A 39 2.960 -16.319 -25.179 1.00 45.22 H new ATOM 0 HG22 THR A 39 3.715 -15.583 -23.744 1.00 45.22 H new ATOM 0 HG23 THR A 39 4.733 -16.228 -25.054 1.00 45.22 H new ATOM 646 N GLU A 40 7.440 -17.286 -22.980 1.00 40.41 N ATOM 647 CA GLU A 40 8.740 -17.198 -23.667 1.00 0.30 C ATOM 648 C GLU A 40 9.923 -17.649 -22.789 1.00 32.41 C ATOM 649 O GLU A 40 9.978 -17.392 -21.577 1.00 10.21 O ATOM 650 CB GLU A 40 8.992 -15.771 -24.181 1.00 23.34 C ATOM 651 CG GLU A 40 8.104 -15.378 -25.360 1.00 64.11 C ATOM 652 CD GLU A 40 8.594 -14.132 -26.081 1.00 52.00 C ATOM 653 OE1 GLU A 40 9.668 -14.199 -26.718 1.00 45.21 O ATOM 654 OE2 GLU A 40 7.915 -13.088 -26.022 1.00 44.25 O ATOM 0 H GLU A 40 7.451 -16.981 -22.007 1.00 40.41 H new ATOM 0 HA GLU A 40 8.681 -17.888 -24.509 1.00 0.30 H new ATOM 0 HB2 GLU A 40 8.831 -15.066 -23.365 1.00 23.34 H new ATOM 0 HB3 GLU A 40 10.037 -15.680 -24.478 1.00 23.34 H new ATOM 0 HG2 GLU A 40 8.060 -16.207 -26.067 1.00 64.11 H new ATOM 0 HG3 GLU A 40 7.088 -15.209 -25.003 1.00 64.11 H new ATOM 661 N ARG A 41 10.885 -18.323 -23.418 1.00 4.24 N ATOM 662 CA ARG A 41 12.130 -18.708 -22.744 1.00 20.21 C ATOM 663 C ARG A 41 12.915 -17.467 -22.289 1.00 34.32 C ATOM 664 O ARG A 41 13.611 -17.494 -21.279 1.00 63.41 O ATOM 665 CB ARG A 41 12.976 -19.614 -23.660 1.00 45.42 C ATOM 666 CG ARG A 41 13.299 -19.023 -25.037 1.00 33.41 C ATOM 667 CD ARG A 41 14.623 -18.263 -25.048 1.00 41.32 C ATOM 668 NE ARG A 41 15.735 -19.103 -24.609 1.00 70.33 N ATOM 669 CZ ARG A 41 16.366 -19.951 -25.373 1.00 71.10 C ATOM 670 NH1 ARG A 41 16.069 -20.065 -26.630 1.00 50.42 N ATOM 671 NH2 ARG A 41 17.310 -20.675 -24.878 1.00 70.11 N ATOM 0 H ARG A 41 10.829 -18.615 -24.394 1.00 4.24 H new ATOM 0 HA ARG A 41 11.881 -19.277 -21.849 1.00 20.21 H new ATOM 0 HB2 ARG A 41 13.912 -19.846 -23.152 1.00 45.42 H new ATOM 0 HB3 ARG A 41 12.448 -20.557 -23.801 1.00 45.42 H new ATOM 0 HG2 ARG A 41 13.338 -19.825 -25.774 1.00 33.41 H new ATOM 0 HG3 ARG A 41 12.495 -18.352 -25.339 1.00 33.41 H new ATOM 0 HD2 ARG A 41 14.822 -17.894 -26.054 1.00 41.32 H new ATOM 0 HD3 ARG A 41 14.547 -17.391 -24.398 1.00 41.32 H new ATOM 0 HE ARG A 41 16.039 -19.021 -23.639 1.00 70.33 H new ATOM 0 HH11 ARG A 41 15.333 -19.487 -27.035 1.00 50.42 H new ATOM 0 HH12 ARG A 41 16.572 -20.733 -27.214 1.00 50.42 H new ATOM 0 HH21 ARG A 41 17.560 -20.583 -23.893 1.00 70.11 H new ATOM 0 HH22 ARG A 41 17.807 -21.340 -25.471 1.00 70.11 H new ATOM 685 N GLU A 42 12.763 -16.369 -23.026 1.00 54.31 N ATOM 686 CA GLU A 42 13.354 -15.077 -22.641 1.00 54.51 C ATOM 687 C GLU A 42 12.655 -14.487 -21.399 1.00 42.55 C ATOM 688 O GLU A 42 13.017 -13.417 -20.914 1.00 54.32 O ATOM 689 CB GLU A 42 13.260 -14.106 -23.825 1.00 14.43 C ATOM 690 CG GLU A 42 14.094 -14.537 -25.031 1.00 51.44 C ATOM 691 CD GLU A 42 13.726 -13.793 -26.305 1.00 24.54 C ATOM 692 OE1 GLU A 42 13.952 -12.569 -26.372 1.00 3.22 O ATOM 693 OE2 GLU A 42 13.200 -14.431 -27.242 1.00 21.13 O ATOM 0 H GLU A 42 12.234 -16.342 -23.898 1.00 54.31 H new ATOM 0 HA GLU A 42 14.401 -15.234 -22.380 1.00 54.51 H new ATOM 0 HB2 GLU A 42 12.217 -14.014 -24.128 1.00 14.43 H new ATOM 0 HB3 GLU A 42 13.586 -13.118 -23.502 1.00 14.43 H new ATOM 0 HG2 GLU A 42 15.149 -14.373 -24.813 1.00 51.44 H new ATOM 0 HG3 GLU A 42 13.964 -15.607 -25.192 1.00 51.44 H new ATOM 700 N TYR A 43 11.644 -15.200 -20.907 1.00 23.53 N ATOM 701 CA TYR A 43 10.927 -14.829 -19.684 1.00 2.51 C ATOM 702 C TYR A 43 11.432 -15.639 -18.476 1.00 30.04 C ATOM 703 O TYR A 43 11.827 -15.069 -17.461 1.00 75.15 O ATOM 704 CB TYR A 43 9.420 -15.064 -19.896 1.00 10.34 C ATOM 705 CG TYR A 43 8.562 -14.963 -18.645 1.00 41.05 C ATOM 706 CD1 TYR A 43 8.348 -16.076 -17.833 1.00 42.04 C ATOM 707 CD2 TYR A 43 7.954 -13.766 -18.284 1.00 51.41 C ATOM 708 CE1 TYR A 43 7.562 -15.996 -16.702 1.00 25.32 C ATOM 709 CE2 TYR A 43 7.164 -13.680 -17.153 1.00 54.43 C ATOM 710 CZ TYR A 43 6.974 -14.798 -16.366 1.00 44.01 C ATOM 711 OH TYR A 43 6.190 -14.717 -15.240 1.00 33.23 O ATOM 0 H TYR A 43 11.296 -16.053 -21.344 1.00 23.53 H new ATOM 0 HA TYR A 43 11.109 -13.776 -19.472 1.00 2.51 H new ATOM 0 HB2 TYR A 43 9.056 -14.340 -20.625 1.00 10.34 H new ATOM 0 HB3 TYR A 43 9.282 -16.053 -20.332 1.00 10.34 H new ATOM 0 HD1 TYR A 43 8.806 -17.018 -18.094 1.00 42.04 H new ATOM 0 HD2 TYR A 43 8.101 -12.889 -18.897 1.00 51.41 H new ATOM 0 HE1 TYR A 43 7.409 -16.868 -16.084 1.00 25.32 H new ATOM 0 HE2 TYR A 43 6.698 -12.743 -16.886 1.00 54.43 H new ATOM 0 HH TYR A 43 5.976 -15.620 -14.925 1.00 33.23 H new ATOM 721 N TYR A 44 11.405 -16.975 -18.586 1.00 61.52 N ATOM 722 CA TYR A 44 11.771 -17.842 -17.445 1.00 15.44 C ATOM 723 C TYR A 44 13.260 -18.252 -17.422 1.00 54.50 C ATOM 724 O TYR A 44 13.834 -18.428 -16.349 1.00 14.15 O ATOM 725 CB TYR A 44 10.875 -19.093 -17.403 1.00 11.24 C ATOM 726 CG TYR A 44 10.851 -19.917 -18.682 1.00 34.45 C ATOM 727 CD1 TYR A 44 11.879 -20.808 -18.985 1.00 51.02 C ATOM 728 CD2 TYR A 44 9.790 -19.817 -19.576 1.00 22.41 C ATOM 729 CE1 TYR A 44 11.851 -21.568 -20.140 1.00 62.40 C ATOM 730 CE2 TYR A 44 9.756 -20.574 -20.732 1.00 22.13 C ATOM 731 CZ TYR A 44 10.787 -21.447 -21.010 1.00 24.30 C ATOM 732 OH TYR A 44 10.751 -22.197 -22.166 1.00 41.41 O ATOM 0 H TYR A 44 11.140 -17.476 -19.434 1.00 61.52 H new ATOM 0 HA TYR A 44 11.606 -17.239 -16.552 1.00 15.44 H new ATOM 0 HB2 TYR A 44 11.208 -19.731 -16.585 1.00 11.24 H new ATOM 0 HB3 TYR A 44 9.856 -18.783 -17.171 1.00 11.24 H new ATOM 0 HD1 TYR A 44 12.713 -20.907 -18.305 1.00 51.02 H new ATOM 0 HD2 TYR A 44 8.979 -19.136 -19.363 1.00 22.41 H new ATOM 0 HE1 TYR A 44 12.657 -22.252 -20.360 1.00 62.40 H new ATOM 0 HE2 TYR A 44 8.925 -20.482 -21.415 1.00 22.13 H new ATOM 0 HH TYR A 44 9.933 -21.991 -22.664 1.00 41.41 H new ATOM 742 N GLU A 45 13.884 -18.409 -18.591 1.00 11.03 N ATOM 743 CA GLU A 45 15.287 -18.866 -18.657 1.00 14.13 C ATOM 744 C GLU A 45 16.263 -17.773 -18.190 1.00 1.51 C ATOM 745 O GLU A 45 17.266 -18.055 -17.527 1.00 31.23 O ATOM 746 CB GLU A 45 15.649 -19.305 -20.086 1.00 44.23 C ATOM 747 CG GLU A 45 17.096 -19.774 -20.245 1.00 43.14 C ATOM 748 CD GLU A 45 17.469 -20.069 -21.691 1.00 25.01 C ATOM 749 OE1 GLU A 45 17.580 -19.115 -22.487 1.00 62.41 O ATOM 750 OE2 GLU A 45 17.659 -21.252 -22.043 1.00 3.32 O ATOM 0 H GLU A 45 13.453 -18.231 -19.498 1.00 11.03 H new ATOM 0 HA GLU A 45 15.380 -19.718 -17.984 1.00 14.13 H new ATOM 0 HB2 GLU A 45 14.981 -20.112 -20.387 1.00 44.23 H new ATOM 0 HB3 GLU A 45 15.471 -18.473 -20.767 1.00 44.23 H new ATOM 0 HG2 GLU A 45 17.766 -19.009 -19.851 1.00 43.14 H new ATOM 0 HG3 GLU A 45 17.250 -20.671 -19.645 1.00 43.14 H new ATOM 757 N ASP A 46 15.964 -16.528 -18.544 1.00 53.34 N ATOM 758 CA ASP A 46 16.818 -15.389 -18.200 1.00 54.35 C ATOM 759 C ASP A 46 15.977 -14.099 -18.154 1.00 21.43 C ATOM 760 O ASP A 46 14.760 -14.146 -18.329 1.00 41.11 O ATOM 761 CB ASP A 46 17.961 -15.269 -19.228 1.00 54.40 C ATOM 762 CG ASP A 46 19.194 -14.572 -18.670 1.00 51.43 C ATOM 763 OD1 ASP A 46 19.262 -13.325 -18.720 1.00 25.43 O ATOM 764 OD2 ASP A 46 20.104 -15.270 -18.179 1.00 12.43 O ATOM 0 H ASP A 46 15.129 -16.277 -19.074 1.00 53.34 H new ATOM 0 HA ASP A 46 17.256 -15.544 -17.214 1.00 54.35 H new ATOM 0 HB2 ASP A 46 18.238 -16.265 -19.572 1.00 54.40 H new ATOM 0 HB3 ASP A 46 17.603 -14.719 -20.098 1.00 54.40 H new ATOM 769 N PHE A 47 16.631 -12.959 -17.917 1.00 11.34 N ATOM 770 CA PHE A 47 15.967 -11.643 -17.872 1.00 42.13 C ATOM 771 C PHE A 47 15.075 -11.477 -16.626 1.00 61.14 C ATOM 772 O PHE A 47 15.364 -10.652 -15.753 1.00 71.33 O ATOM 773 CB PHE A 47 15.145 -11.386 -19.149 1.00 43.42 C ATOM 774 CG PHE A 47 15.972 -11.329 -20.413 1.00 21.44 C ATOM 775 CD1 PHE A 47 16.577 -10.144 -20.809 1.00 22.52 C ATOM 776 CD2 PHE A 47 16.142 -12.459 -21.204 1.00 40.30 C ATOM 777 CE1 PHE A 47 17.332 -10.088 -21.965 1.00 5.22 C ATOM 778 CE2 PHE A 47 16.897 -12.406 -22.360 1.00 44.03 C ATOM 779 CZ PHE A 47 17.492 -11.220 -22.740 1.00 1.12 C ATOM 0 H PHE A 47 17.636 -12.917 -17.750 1.00 11.34 H new ATOM 0 HA PHE A 47 16.763 -10.901 -17.810 1.00 42.13 H new ATOM 0 HB2 PHE A 47 14.397 -12.173 -19.252 1.00 43.42 H new ATOM 0 HB3 PHE A 47 14.605 -10.446 -19.038 1.00 43.42 H new ATOM 0 HD1 PHE A 47 16.456 -9.256 -20.207 1.00 22.52 H new ATOM 0 HD2 PHE A 47 15.678 -13.390 -20.912 1.00 40.30 H new ATOM 0 HE1 PHE A 47 17.797 -9.160 -22.262 1.00 5.22 H new ATOM 0 HE2 PHE A 47 17.021 -13.292 -22.966 1.00 44.03 H new ATOM 0 HZ PHE A 47 18.083 -11.177 -23.643 1.00 1.12 H new ATOM 789 N GLY A 48 13.996 -12.254 -16.551 1.00 0.23 N ATOM 790 CA GLY A 48 13.044 -12.135 -15.449 1.00 4.55 C ATOM 791 C GLY A 48 13.580 -12.644 -14.110 1.00 21.43 C ATOM 792 O GLY A 48 13.158 -13.688 -13.614 1.00 1.44 O ATOM 0 H GLY A 48 13.760 -12.970 -17.238 1.00 0.23 H new ATOM 0 HA2 GLY A 48 12.757 -11.089 -15.341 1.00 4.55 H new ATOM 0 HA3 GLY A 48 12.140 -12.689 -15.701 1.00 4.55 H new ATOM 1115 N PRO A 71 -0.814 -18.966 -3.432 1.00 65.03 N ATOM 1116 CA PRO A 71 -1.205 -19.534 -4.744 1.00 71.11 C ATOM 1117 C PRO A 71 -2.728 -19.510 -4.996 1.00 70.33 C ATOM 1118 O PRO A 71 -3.191 -19.789 -6.100 1.00 52.11 O ATOM 1119 CB PRO A 71 -0.698 -20.985 -4.669 1.00 41.14 C ATOM 1120 CG PRO A 71 0.378 -20.960 -3.635 1.00 1.32 C ATOM 1121 CD PRO A 71 -0.052 -19.935 -2.621 1.00 43.44 C ATOM 0 HA PRO A 71 -0.786 -18.954 -5.566 1.00 71.11 H new ATOM 0 HB2 PRO A 71 -1.499 -21.670 -4.390 1.00 41.14 H new ATOM 0 HB3 PRO A 71 -0.313 -21.320 -5.632 1.00 41.14 H new ATOM 0 HG2 PRO A 71 0.499 -21.940 -3.173 1.00 1.32 H new ATOM 0 HG3 PRO A 71 1.339 -20.694 -4.076 1.00 1.32 H new ATOM 0 HD2 PRO A 71 -0.667 -20.376 -1.836 1.00 43.44 H new ATOM 0 HD3 PRO A 71 0.803 -19.468 -2.132 1.00 43.44 H new ATOM 1129 N LYS A 72 -3.500 -19.180 -3.963 1.00 71.23 N ATOM 1130 CA LYS A 72 -4.964 -19.115 -4.064 1.00 24.02 C ATOM 1131 C LYS A 72 -5.443 -17.765 -4.639 1.00 2.43 C ATOM 1132 O LYS A 72 -6.538 -17.667 -5.193 1.00 70.42 O ATOM 1133 CB LYS A 72 -5.579 -19.336 -2.673 1.00 13.43 C ATOM 1134 CG LYS A 72 -7.106 -19.372 -2.656 1.00 21.53 C ATOM 1135 CD LYS A 72 -7.659 -20.572 -3.423 1.00 51.43 C ATOM 1136 CE LYS A 72 -9.183 -20.630 -3.363 1.00 2.13 C ATOM 1137 NZ LYS A 72 -9.683 -20.695 -1.962 1.00 11.23 N ATOM 0 H LYS A 72 -3.137 -18.951 -3.038 1.00 71.23 H new ATOM 0 HA LYS A 72 -5.290 -19.897 -4.749 1.00 24.02 H new ATOM 0 HB2 LYS A 72 -5.201 -20.274 -2.267 1.00 13.43 H new ATOM 0 HB3 LYS A 72 -5.239 -18.542 -2.009 1.00 13.43 H new ATOM 0 HG2 LYS A 72 -7.456 -19.408 -1.624 1.00 21.53 H new ATOM 0 HG3 LYS A 72 -7.495 -18.452 -3.092 1.00 21.53 H new ATOM 0 HD2 LYS A 72 -7.338 -20.518 -4.463 1.00 51.43 H new ATOM 0 HD3 LYS A 72 -7.244 -21.491 -3.009 1.00 51.43 H new ATOM 0 HE2 LYS A 72 -9.599 -19.752 -3.856 1.00 2.13 H new ATOM 0 HE3 LYS A 72 -9.535 -21.502 -3.915 1.00 2.13 H new ATOM 0 HZ1 LYS A 72 -10.682 -20.986 -1.963 1.00 11.23 H new ATOM 0 HZ2 LYS A 72 -9.122 -21.386 -1.425 1.00 11.23 H new ATOM 0 HZ3 LYS A 72 -9.596 -19.758 -1.518 1.00 11.23 H new ATOM 1151 N LEU A 73 -4.610 -16.730 -4.526 1.00 20.40 N ATOM 1152 CA LEU A 73 -5.009 -15.359 -4.898 1.00 41.02 C ATOM 1153 C LEU A 73 -4.835 -15.061 -6.402 1.00 60.41 C ATOM 1154 O LEU A 73 -4.693 -13.902 -6.792 1.00 74.42 O ATOM 1155 CB LEU A 73 -4.210 -14.334 -4.068 1.00 33.23 C ATOM 1156 CG LEU A 73 -4.688 -14.118 -2.619 1.00 40.11 C ATOM 1157 CD1 LEU A 73 -6.133 -13.628 -2.596 1.00 2.33 C ATOM 1158 CD2 LEU A 73 -4.534 -15.390 -1.787 1.00 63.25 C ATOM 0 H LEU A 73 -3.653 -16.808 -4.181 1.00 20.40 H new ATOM 0 HA LEU A 73 -6.074 -15.275 -4.680 1.00 41.02 H new ATOM 0 HB2 LEU A 73 -3.167 -14.651 -4.042 1.00 33.23 H new ATOM 0 HB3 LEU A 73 -4.239 -13.375 -4.586 1.00 33.23 H new ATOM 0 HG LEU A 73 -4.057 -13.351 -2.171 1.00 40.11 H new ATOM 0 HD11 LEU A 73 -6.451 -13.482 -1.564 1.00 2.33 H new ATOM 0 HD12 LEU A 73 -6.206 -12.684 -3.135 1.00 2.33 H new ATOM 0 HD13 LEU A 73 -6.776 -14.368 -3.072 1.00 2.33 H new ATOM 0 HD21 LEU A 73 -4.880 -15.204 -0.770 1.00 63.25 H new ATOM 0 HD22 LEU A 73 -5.127 -16.189 -2.231 1.00 63.25 H new ATOM 0 HD23 LEU A 73 -3.485 -15.686 -1.765 1.00 63.25 H new ATOM 1170 N LEU A 74 -4.881 -16.091 -7.244 1.00 52.01 N ATOM 1171 CA LEU A 74 -4.765 -15.905 -8.698 1.00 22.12 C ATOM 1172 C LEU A 74 -5.829 -16.716 -9.468 1.00 70.32 C ATOM 1173 O LEU A 74 -6.290 -17.758 -8.991 1.00 14.23 O ATOM 1174 CB LEU A 74 -3.337 -16.267 -9.170 1.00 35.25 C ATOM 1175 CG LEU A 74 -2.775 -17.631 -8.702 1.00 54.52 C ATOM 1176 CD1 LEU A 74 -3.397 -18.797 -9.471 1.00 35.23 C ATOM 1177 CD2 LEU A 74 -1.252 -17.653 -8.836 1.00 71.42 C ATOM 0 H LEU A 74 -4.997 -17.061 -6.951 1.00 52.01 H new ATOM 0 HA LEU A 74 -4.949 -14.853 -8.917 1.00 22.12 H new ATOM 0 HB2 LEU A 74 -3.324 -16.250 -10.260 1.00 35.25 H new ATOM 0 HB3 LEU A 74 -2.658 -15.485 -8.831 1.00 35.25 H new ATOM 0 HG LEU A 74 -3.041 -17.754 -7.652 1.00 54.52 H new ATOM 0 HD11 LEU A 74 -2.975 -19.736 -9.112 1.00 35.23 H new ATOM 0 HD12 LEU A 74 -4.476 -18.801 -9.316 1.00 35.23 H new ATOM 0 HD13 LEU A 74 -3.184 -18.687 -10.534 1.00 35.23 H new ATOM 0 HD21 LEU A 74 -0.871 -18.619 -8.503 1.00 71.42 H new ATOM 0 HD22 LEU A 74 -0.976 -17.494 -9.878 1.00 71.42 H new ATOM 0 HD23 LEU A 74 -0.821 -16.862 -8.222 1.00 71.42 H new ATOM 1189 N PRO A 75 -6.266 -16.232 -10.652 1.00 4.11 N ATOM 1190 CA PRO A 75 -7.134 -17.008 -11.552 1.00 73.20 C ATOM 1191 C PRO A 75 -6.378 -18.212 -12.130 1.00 42.25 C ATOM 1192 O PRO A 75 -5.531 -18.062 -13.013 1.00 42.14 O ATOM 1193 CB PRO A 75 -7.516 -16.004 -12.661 1.00 51.02 C ATOM 1194 CG PRO A 75 -7.131 -14.661 -12.125 1.00 54.52 C ATOM 1195 CD PRO A 75 -5.965 -14.903 -11.206 1.00 71.14 C ATOM 0 HA PRO A 75 -8.008 -17.419 -11.046 1.00 73.20 H new ATOM 0 HB2 PRO A 75 -6.988 -16.223 -13.589 1.00 51.02 H new ATOM 0 HB3 PRO A 75 -8.582 -16.049 -12.882 1.00 51.02 H new ATOM 0 HG2 PRO A 75 -6.858 -13.982 -12.933 1.00 54.52 H new ATOM 0 HG3 PRO A 75 -7.962 -14.201 -11.589 1.00 54.52 H new ATOM 0 HD2 PRO A 75 -5.016 -14.893 -11.743 1.00 71.14 H new ATOM 0 HD3 PRO A 75 -5.898 -14.144 -10.426 1.00 71.14 H new ATOM 1203 N TYR A 76 -6.658 -19.402 -11.608 1.00 11.13 N ATOM 1204 CA TYR A 76 -5.849 -20.576 -11.932 1.00 74.21 C ATOM 1205 C TYR A 76 -6.079 -21.101 -13.359 1.00 14.24 C ATOM 1206 O TYR A 76 -7.017 -21.846 -13.643 1.00 44.54 O ATOM 1207 CB TYR A 76 -6.045 -21.691 -10.885 1.00 60.40 C ATOM 1208 CG TYR A 76 -7.492 -22.005 -10.533 1.00 15.43 C ATOM 1209 CD1 TYR A 76 -8.194 -21.209 -9.632 1.00 73.14 C ATOM 1210 CD2 TYR A 76 -8.146 -23.106 -11.079 1.00 32.21 C ATOM 1211 CE1 TYR A 76 -9.499 -21.499 -9.289 1.00 51.24 C ATOM 1212 CE2 TYR A 76 -9.454 -23.399 -10.742 1.00 64.25 C ATOM 1213 CZ TYR A 76 -10.123 -22.593 -9.847 1.00 13.42 C ATOM 1214 OH TYR A 76 -11.421 -22.889 -9.500 1.00 71.41 O ATOM 0 H TYR A 76 -7.430 -19.580 -10.965 1.00 11.13 H new ATOM 0 HA TYR A 76 -4.810 -20.249 -11.898 1.00 74.21 H new ATOM 0 HB2 TYR A 76 -5.572 -22.601 -11.255 1.00 60.40 H new ATOM 0 HB3 TYR A 76 -5.520 -21.407 -9.973 1.00 60.40 H new ATOM 0 HD1 TYR A 76 -7.709 -20.349 -9.194 1.00 73.14 H new ATOM 0 HD2 TYR A 76 -7.623 -23.742 -11.778 1.00 32.21 H new ATOM 0 HE1 TYR A 76 -10.028 -20.872 -8.587 1.00 51.24 H new ATOM 0 HE2 TYR A 76 -9.949 -24.255 -11.178 1.00 64.25 H new ATOM 0 HH TYR A 76 -11.714 -23.690 -9.982 1.00 71.41 H new ATOM 1224 N ASP A 77 -5.202 -20.661 -14.253 1.00 71.22 N ATOM 1225 CA ASP A 77 -4.994 -21.293 -15.554 1.00 14.43 C ATOM 1226 C ASP A 77 -3.617 -21.960 -15.548 1.00 50.45 C ATOM 1227 O ASP A 77 -2.772 -21.612 -14.731 1.00 72.13 O ATOM 1228 CB ASP A 77 -5.052 -20.261 -16.686 1.00 54.43 C ATOM 1229 CG ASP A 77 -6.425 -19.643 -16.855 1.00 45.35 C ATOM 1230 OD1 ASP A 77 -7.241 -20.204 -17.622 1.00 43.21 O ATOM 1231 OD2 ASP A 77 -6.695 -18.593 -16.240 1.00 44.11 O ATOM 0 H ASP A 77 -4.608 -19.847 -14.095 1.00 71.22 H new ATOM 0 HA ASP A 77 -5.782 -22.026 -15.725 1.00 14.43 H new ATOM 0 HB2 ASP A 77 -4.326 -19.472 -16.488 1.00 54.43 H new ATOM 0 HB3 ASP A 77 -4.757 -20.738 -17.621 1.00 54.43 H new ATOM 1236 N LYS A 78 -3.369 -22.892 -16.454 1.00 44.14 N ATOM 1237 CA LYS A 78 -2.051 -23.533 -16.514 1.00 33.31 C ATOM 1238 C LYS A 78 -0.978 -22.510 -16.927 1.00 74.33 C ATOM 1239 O LYS A 78 0.153 -22.548 -16.444 1.00 53.21 O ATOM 1240 CB LYS A 78 -2.064 -24.739 -17.471 1.00 12.04 C ATOM 1241 CG LYS A 78 -2.760 -25.982 -16.904 1.00 54.20 C ATOM 1242 CD LYS A 78 -4.251 -25.758 -16.639 1.00 70.33 C ATOM 1243 CE LYS A 78 -5.047 -25.590 -17.927 1.00 51.45 C ATOM 1244 NZ LYS A 78 -5.046 -26.827 -18.749 1.00 34.25 N ATOM 0 H LYS A 78 -4.041 -23.221 -17.147 1.00 44.14 H new ATOM 0 HA LYS A 78 -1.805 -23.906 -15.520 1.00 33.31 H new ATOM 0 HB2 LYS A 78 -2.560 -24.449 -18.397 1.00 12.04 H new ATOM 0 HB3 LYS A 78 -1.036 -24.997 -17.727 1.00 12.04 H new ATOM 0 HG2 LYS A 78 -2.640 -26.810 -17.602 1.00 54.20 H new ATOM 0 HG3 LYS A 78 -2.271 -26.275 -15.975 1.00 54.20 H new ATOM 0 HD2 LYS A 78 -4.649 -26.602 -16.076 1.00 70.33 H new ATOM 0 HD3 LYS A 78 -4.378 -24.872 -16.017 1.00 70.33 H new ATOM 0 HE2 LYS A 78 -6.074 -25.317 -17.685 1.00 51.45 H new ATOM 0 HE3 LYS A 78 -4.627 -24.769 -18.508 1.00 51.45 H new ATOM 0 HZ1 LYS A 78 -5.767 -26.749 -19.495 1.00 34.25 H new ATOM 0 HZ2 LYS A 78 -4.110 -26.954 -19.184 1.00 34.25 H new ATOM 0 HZ3 LYS A 78 -5.261 -27.646 -18.145 1.00 34.25 H new ATOM 1258 N ARG A 79 -1.357 -21.576 -17.800 1.00 34.14 N ATOM 1259 CA ARG A 79 -0.453 -20.505 -18.246 1.00 22.31 C ATOM 1260 C ARG A 79 -0.303 -19.402 -17.182 1.00 74.33 C ATOM 1261 O ARG A 79 0.796 -18.900 -16.949 1.00 71.43 O ATOM 1262 CB ARG A 79 -0.963 -19.897 -19.557 1.00 23.01 C ATOM 1263 CG ARG A 79 -1.081 -20.912 -20.687 1.00 73.42 C ATOM 1264 CD ARG A 79 -1.646 -20.290 -21.959 1.00 61.12 C ATOM 1265 NE ARG A 79 -1.797 -21.274 -23.025 1.00 71.14 N ATOM 1266 CZ ARG A 79 -2.402 -21.046 -24.157 1.00 44.22 C ATOM 1267 NH1 ARG A 79 -2.942 -19.894 -24.398 1.00 35.14 N ATOM 1268 NH2 ARG A 79 -2.475 -21.985 -25.040 1.00 23.44 N ATOM 0 H ARG A 79 -2.287 -21.536 -18.216 1.00 34.14 H new ATOM 0 HA ARG A 79 0.529 -20.950 -18.406 1.00 22.31 H new ATOM 0 HB2 ARG A 79 -1.938 -19.442 -19.383 1.00 23.01 H new ATOM 0 HB3 ARG A 79 -0.289 -19.098 -19.865 1.00 23.01 H new ATOM 0 HG2 ARG A 79 -0.099 -21.336 -20.897 1.00 73.42 H new ATOM 0 HG3 ARG A 79 -1.723 -21.734 -20.370 1.00 73.42 H new ATOM 0 HD2 ARG A 79 -2.614 -19.837 -21.743 1.00 61.12 H new ATOM 0 HD3 ARG A 79 -0.987 -19.489 -22.295 1.00 61.12 H new ATOM 0 HE ARG A 79 -1.403 -22.203 -22.875 1.00 71.14 H new ATOM 0 HH11 ARG A 79 -2.897 -19.153 -23.698 1.00 35.14 H new ATOM 0 HH12 ARG A 79 -3.413 -19.727 -25.287 1.00 35.14 H new ATOM 0 HH21 ARG A 79 -2.061 -22.898 -24.849 1.00 23.44 H new ATOM 0 HH22 ARG A 79 -2.947 -21.814 -25.928 1.00 23.44 H new ATOM 1282 N LEU A 80 -1.416 -19.024 -16.550 1.00 62.51 N ATOM 1283 CA LEU A 80 -1.412 -17.982 -15.508 1.00 34.13 C ATOM 1284 C LEU A 80 -0.726 -18.468 -14.222 1.00 11.13 C ATOM 1285 O LEU A 80 0.080 -17.746 -13.629 1.00 23.35 O ATOM 1286 CB LEU A 80 -2.845 -17.503 -15.202 1.00 71.12 C ATOM 1287 CG LEU A 80 -3.426 -16.473 -16.190 1.00 62.30 C ATOM 1288 CD1 LEU A 80 -2.603 -15.186 -16.173 1.00 73.13 C ATOM 1289 CD2 LEU A 80 -3.500 -17.043 -17.606 1.00 62.31 C ATOM 0 H LEU A 80 -2.336 -19.422 -16.739 1.00 62.51 H new ATOM 0 HA LEU A 80 -0.838 -17.140 -15.896 1.00 34.13 H new ATOM 0 HB2 LEU A 80 -3.503 -18.372 -15.181 1.00 71.12 H new ATOM 0 HB3 LEU A 80 -2.859 -17.069 -14.202 1.00 71.12 H new ATOM 0 HG LEU A 80 -4.441 -16.240 -15.869 1.00 62.30 H new ATOM 0 HD11 LEU A 80 -3.030 -14.472 -16.877 1.00 73.13 H new ATOM 0 HD12 LEU A 80 -2.616 -14.759 -15.170 1.00 73.13 H new ATOM 0 HD13 LEU A 80 -1.575 -15.408 -16.459 1.00 73.13 H new ATOM 0 HD21 LEU A 80 -3.914 -16.292 -18.279 1.00 62.31 H new ATOM 0 HD22 LEU A 80 -2.500 -17.318 -17.940 1.00 62.31 H new ATOM 0 HD23 LEU A 80 -4.139 -17.926 -17.610 1.00 62.31 H new ATOM 1301 N ALA A 81 -1.045 -19.689 -13.797 1.00 43.33 N ATOM 1302 CA ALA A 81 -0.377 -20.300 -12.644 1.00 13.55 C ATOM 1303 C ALA A 81 1.128 -20.422 -12.902 1.00 14.25 C ATOM 1304 O ALA A 81 1.941 -19.986 -12.089 1.00 61.10 O ATOM 1305 CB ALA A 81 -0.977 -21.665 -12.329 1.00 10.42 C ATOM 0 H ALA A 81 -1.759 -20.275 -14.230 1.00 43.33 H new ATOM 0 HA ALA A 81 -0.531 -19.655 -11.779 1.00 13.55 H new ATOM 0 HB1 ALA A 81 -0.465 -22.098 -11.470 1.00 10.42 H new ATOM 0 HB2 ALA A 81 -2.037 -21.553 -12.101 1.00 10.42 H new ATOM 0 HB3 ALA A 81 -0.859 -22.322 -13.191 1.00 10.42 H new ATOM 1311 N TRP A 82 1.484 -21.008 -14.052 1.00 10.52 N ATOM 1312 CA TRP A 82 2.882 -21.067 -14.502 1.00 51.00 C ATOM 1313 C TRP A 82 3.530 -19.673 -14.440 1.00 75.12 C ATOM 1314 O TRP A 82 4.593 -19.504 -13.852 1.00 12.00 O ATOM 1315 CB TRP A 82 2.939 -21.641 -15.932 1.00 54.51 C ATOM 1316 CG TRP A 82 4.297 -21.627 -16.578 1.00 72.33 C ATOM 1317 CD1 TRP A 82 5.513 -21.573 -15.961 1.00 71.41 C ATOM 1318 CD2 TRP A 82 4.567 -21.683 -17.984 1.00 73.11 C ATOM 1319 NE1 TRP A 82 6.517 -21.574 -16.896 1.00 11.43 N ATOM 1320 CE2 TRP A 82 5.963 -21.647 -18.144 1.00 45.21 C ATOM 1321 CE3 TRP A 82 3.759 -21.759 -19.122 1.00 71.31 C ATOM 1322 CZ2 TRP A 82 6.571 -21.680 -19.395 1.00 53.20 C ATOM 1323 CZ3 TRP A 82 4.363 -21.792 -20.365 1.00 1.13 C ATOM 1324 CH2 TRP A 82 5.759 -21.756 -20.493 1.00 52.15 C ATOM 0 H TRP A 82 0.822 -21.449 -14.690 1.00 10.52 H new ATOM 0 HA TRP A 82 3.445 -21.723 -13.838 1.00 51.00 H new ATOM 0 HB2 TRP A 82 2.577 -22.669 -15.908 1.00 54.51 H new ATOM 0 HB3 TRP A 82 2.250 -21.076 -16.560 1.00 54.51 H new ATOM 0 HD1 TRP A 82 5.663 -21.535 -14.892 1.00 71.41 H new ATOM 0 HE1 TRP A 82 7.516 -21.528 -16.693 1.00 11.43 H new ATOM 0 HE3 TRP A 82 2.683 -21.791 -19.032 1.00 71.31 H new ATOM 0 HZ2 TRP A 82 7.646 -21.647 -19.495 1.00 53.20 H new ATOM 0 HZ3 TRP A 82 3.750 -21.846 -21.252 1.00 1.13 H new ATOM 0 HH2 TRP A 82 6.202 -21.789 -21.478 1.00 52.15 H new ATOM 1335 N HIS A 83 2.855 -18.687 -15.022 1.00 45.44 N ATOM 1336 CA HIS A 83 3.323 -17.292 -15.031 1.00 1.32 C ATOM 1337 C HIS A 83 3.735 -16.808 -13.625 1.00 53.02 C ATOM 1338 O HIS A 83 4.921 -16.576 -13.338 1.00 61.41 O ATOM 1339 CB HIS A 83 2.192 -16.400 -15.585 1.00 2.24 C ATOM 1340 CG HIS A 83 2.554 -14.960 -15.824 1.00 53.43 C ATOM 1341 ND1 HIS A 83 1.919 -14.181 -16.772 1.00 72.22 N ATOM 1342 CD2 HIS A 83 3.457 -14.144 -15.227 1.00 2.43 C ATOM 1343 CE1 HIS A 83 2.414 -12.961 -16.744 1.00 11.22 C ATOM 1344 NE2 HIS A 83 3.345 -12.913 -15.820 1.00 2.43 N ATOM 0 H HIS A 83 1.966 -18.826 -15.503 1.00 45.44 H new ATOM 0 HA HIS A 83 4.209 -17.228 -15.662 1.00 1.32 H new ATOM 0 HB2 HIS A 83 1.844 -16.829 -16.525 1.00 2.24 H new ATOM 0 HB3 HIS A 83 1.354 -16.434 -14.889 1.00 2.24 H new ATOM 0 HD1 HIS A 83 1.180 -14.502 -17.398 1.00 72.22 H new ATOM 0 HD2 HIS A 83 4.137 -14.413 -14.433 1.00 2.43 H new ATOM 0 HE1 HIS A 83 2.106 -12.140 -17.374 1.00 11.22 H new ATOM 1353 N PHE A 84 2.746 -16.670 -12.751 1.00 55.34 N ATOM 1354 CA PHE A 84 2.951 -16.035 -11.451 1.00 64.21 C ATOM 1355 C PHE A 84 3.808 -16.895 -10.512 1.00 20.22 C ATOM 1356 O PHE A 84 4.550 -16.360 -9.691 1.00 34.52 O ATOM 1357 CB PHE A 84 1.598 -15.699 -10.811 1.00 12.20 C ATOM 1358 CG PHE A 84 0.743 -14.777 -11.656 1.00 33.33 C ATOM 1359 CD1 PHE A 84 1.320 -13.901 -12.574 1.00 63.25 C ATOM 1360 CD2 PHE A 84 -0.640 -14.789 -11.535 1.00 74.12 C ATOM 1361 CE1 PHE A 84 0.537 -13.064 -13.346 1.00 11.44 C ATOM 1362 CE2 PHE A 84 -1.426 -13.951 -12.305 1.00 0.42 C ATOM 1363 CZ PHE A 84 -0.837 -13.088 -13.211 1.00 75.52 C ATOM 0 H PHE A 84 1.792 -16.989 -12.917 1.00 55.34 H new ATOM 0 HA PHE A 84 3.504 -15.110 -11.617 1.00 64.21 H new ATOM 0 HB2 PHE A 84 1.051 -16.624 -10.629 1.00 12.20 H new ATOM 0 HB3 PHE A 84 1.770 -15.234 -9.840 1.00 12.20 H new ATOM 0 HD1 PHE A 84 2.394 -13.876 -12.683 1.00 63.25 H new ATOM 0 HD2 PHE A 84 -1.108 -15.461 -10.831 1.00 74.12 H new ATOM 0 HE1 PHE A 84 0.999 -12.392 -14.054 1.00 11.44 H new ATOM 0 HE2 PHE A 84 -2.501 -13.971 -12.199 1.00 0.42 H new ATOM 0 HZ PHE A 84 -1.451 -12.434 -13.812 1.00 75.52 H new ATOM 1373 N LYS A 85 3.731 -18.221 -10.638 1.00 22.13 N ATOM 1374 CA LYS A 85 4.558 -19.097 -9.804 1.00 62.33 C ATOM 1375 C LYS A 85 6.016 -19.094 -10.292 1.00 3.22 C ATOM 1376 O LYS A 85 6.948 -19.141 -9.486 1.00 72.40 O ATOM 1377 CB LYS A 85 4.003 -20.537 -9.763 1.00 41.12 C ATOM 1378 CG LYS A 85 4.341 -21.396 -10.982 1.00 65.32 C ATOM 1379 CD LYS A 85 3.700 -22.780 -10.887 1.00 62.32 C ATOM 1380 CE LYS A 85 4.115 -23.681 -12.045 1.00 61.11 C ATOM 1381 NZ LYS A 85 5.582 -23.921 -12.064 1.00 70.14 N ATOM 0 H LYS A 85 3.118 -18.705 -11.295 1.00 22.13 H new ATOM 0 HA LYS A 85 4.529 -18.704 -8.788 1.00 62.33 H new ATOM 0 HB2 LYS A 85 4.386 -21.032 -8.871 1.00 41.12 H new ATOM 0 HB3 LYS A 85 2.919 -20.489 -9.660 1.00 41.12 H new ATOM 0 HG2 LYS A 85 3.997 -20.896 -11.887 1.00 65.32 H new ATOM 0 HG3 LYS A 85 5.423 -21.500 -11.067 1.00 65.32 H new ATOM 0 HD2 LYS A 85 3.984 -23.247 -9.944 1.00 62.32 H new ATOM 0 HD3 LYS A 85 2.615 -22.677 -10.878 1.00 62.32 H new ATOM 0 HE2 LYS A 85 3.592 -24.634 -11.968 1.00 61.11 H new ATOM 0 HE3 LYS A 85 3.810 -23.225 -12.987 1.00 61.11 H new ATOM 0 HZ1 LYS A 85 5.796 -24.712 -12.705 1.00 70.14 H new ATOM 0 HZ2 LYS A 85 6.070 -23.065 -12.396 1.00 70.14 H new ATOM 0 HZ3 LYS A 85 5.908 -24.155 -11.104 1.00 70.14 H new ATOM 1395 N GLU A 86 6.202 -19.005 -11.615 1.00 55.20 N ATOM 1396 CA GLU A 86 7.540 -18.997 -12.220 1.00 12.15 C ATOM 1397 C GLU A 86 8.359 -17.799 -11.718 1.00 33.22 C ATOM 1398 O GLU A 86 9.568 -17.908 -11.522 1.00 65.01 O ATOM 1399 CB GLU A 86 7.439 -18.963 -13.757 1.00 12.50 C ATOM 1400 CG GLU A 86 8.745 -19.269 -14.493 1.00 3.32 C ATOM 1401 CD GLU A 86 9.178 -20.729 -14.375 1.00 12.21 C ATOM 1402 OE1 GLU A 86 8.612 -21.587 -15.082 1.00 41.32 O ATOM 1403 OE2 GLU A 86 10.090 -21.023 -13.575 1.00 21.55 O ATOM 0 H GLU A 86 5.440 -18.937 -12.289 1.00 55.20 H new ATOM 0 HA GLU A 86 8.050 -19.913 -11.923 1.00 12.15 H new ATOM 0 HB2 GLU A 86 6.683 -19.682 -14.073 1.00 12.50 H new ATOM 0 HB3 GLU A 86 7.089 -17.977 -14.062 1.00 12.50 H new ATOM 0 HG2 GLU A 86 8.628 -19.016 -15.547 1.00 3.32 H new ATOM 0 HG3 GLU A 86 9.535 -18.630 -14.098 1.00 3.32 H new ATOM 1410 N PHE A 87 7.699 -16.654 -11.522 1.00 52.02 N ATOM 1411 CA PHE A 87 8.367 -15.482 -10.920 1.00 55.41 C ATOM 1412 C PHE A 87 8.221 -15.438 -9.386 1.00 31.43 C ATOM 1413 O PHE A 87 9.205 -15.519 -8.655 1.00 2.35 O ATOM 1414 CB PHE A 87 7.833 -14.169 -11.526 1.00 71.23 C ATOM 1415 CG PHE A 87 8.507 -13.754 -12.816 1.00 12.22 C ATOM 1416 CD1 PHE A 87 9.332 -14.629 -13.516 1.00 34.42 C ATOM 1417 CD2 PHE A 87 8.321 -12.473 -13.319 1.00 12.50 C ATOM 1418 CE1 PHE A 87 9.950 -14.231 -14.688 1.00 30.20 C ATOM 1419 CE2 PHE A 87 8.938 -12.074 -14.487 1.00 20.25 C ATOM 1420 CZ PHE A 87 9.752 -12.953 -15.172 1.00 3.40 C ATOM 0 H PHE A 87 6.719 -16.508 -11.764 1.00 52.02 H new ATOM 0 HA PHE A 87 9.427 -15.585 -11.151 1.00 55.41 H new ATOM 0 HB2 PHE A 87 6.764 -14.276 -11.708 1.00 71.23 H new ATOM 0 HB3 PHE A 87 7.954 -13.370 -10.794 1.00 71.23 H new ATOM 0 HD1 PHE A 87 9.491 -15.629 -13.141 1.00 34.42 H new ATOM 0 HD2 PHE A 87 7.685 -11.780 -12.789 1.00 12.50 H new ATOM 0 HE1 PHE A 87 10.587 -14.919 -15.224 1.00 30.20 H new ATOM 0 HE2 PHE A 87 8.784 -11.074 -14.865 1.00 20.25 H new ATOM 0 HZ PHE A 87 10.234 -12.641 -16.087 1.00 3.40 H new ATOM 1430 N CYS A 88 6.990 -15.315 -8.906 1.00 63.45 N ATOM 1431 CA CYS A 88 6.736 -15.008 -7.489 1.00 22.10 C ATOM 1432 C CYS A 88 6.993 -16.197 -6.543 1.00 22.42 C ATOM 1433 O CYS A 88 7.509 -16.016 -5.442 1.00 75.23 O ATOM 1434 CB CYS A 88 5.294 -14.520 -7.313 1.00 31.12 C ATOM 1435 SG CYS A 88 4.907 -13.941 -5.648 1.00 12.32 S ATOM 0 H CYS A 88 6.147 -15.422 -9.470 1.00 63.45 H new ATOM 0 HA CYS A 88 7.445 -14.228 -7.213 1.00 22.10 H new ATOM 0 HB2 CYS A 88 5.107 -13.711 -8.019 1.00 31.12 H new ATOM 0 HB3 CYS A 88 4.614 -15.332 -7.571 1.00 31.12 H new ATOM 0 HG CYS A 88 3.668 -13.549 -5.602 1.00 12.32 H new ATOM 1441 N TYR A 89 6.657 -17.413 -6.973 1.00 23.24 N ATOM 1442 CA TYR A 89 6.664 -18.585 -6.077 1.00 43.22 C ATOM 1443 C TYR A 89 8.040 -19.283 -6.064 1.00 23.10 C ATOM 1444 O TYR A 89 8.133 -20.511 -6.125 1.00 61.14 O ATOM 1445 CB TYR A 89 5.556 -19.561 -6.511 1.00 70.44 C ATOM 1446 CG TYR A 89 5.196 -20.618 -5.479 1.00 40.31 C ATOM 1447 CD1 TYR A 89 4.518 -20.275 -4.314 1.00 71.10 C ATOM 1448 CD2 TYR A 89 5.521 -21.957 -5.676 1.00 41.35 C ATOM 1449 CE1 TYR A 89 4.179 -21.232 -3.377 1.00 21.15 C ATOM 1450 CE2 TYR A 89 5.182 -22.919 -4.744 1.00 45.13 C ATOM 1451 CZ TYR A 89 4.513 -22.552 -3.598 1.00 61.32 C ATOM 1452 OH TYR A 89 4.170 -23.510 -2.672 1.00 41.14 O ATOM 0 H TYR A 89 6.376 -17.619 -7.932 1.00 23.24 H new ATOM 0 HA TYR A 89 6.471 -18.247 -5.059 1.00 43.22 H new ATOM 0 HB2 TYR A 89 4.660 -18.988 -6.751 1.00 70.44 H new ATOM 0 HB3 TYR A 89 5.870 -20.061 -7.428 1.00 70.44 H new ATOM 0 HD1 TYR A 89 4.252 -19.243 -4.139 1.00 71.10 H new ATOM 0 HD2 TYR A 89 6.047 -22.249 -6.573 1.00 41.35 H new ATOM 0 HE1 TYR A 89 3.655 -20.948 -2.476 1.00 21.15 H new ATOM 0 HE2 TYR A 89 5.441 -23.954 -4.914 1.00 45.13 H new ATOM 0 HH TYR A 89 4.478 -24.388 -2.980 1.00 41.14 H new ATOM 1462 N LYS A 90 9.112 -18.498 -5.970 1.00 33.34 N ATOM 1463 CA LYS A 90 10.476 -19.044 -6.051 1.00 31.45 C ATOM 1464 C LYS A 90 11.354 -18.705 -4.835 1.00 55.31 C ATOM 1465 O LYS A 90 11.917 -17.614 -4.744 1.00 51.31 O ATOM 1466 CB LYS A 90 11.155 -18.534 -7.320 1.00 23.43 C ATOM 1467 CG LYS A 90 10.484 -18.997 -8.602 1.00 73.25 C ATOM 1468 CD LYS A 90 10.610 -20.502 -8.804 1.00 3.02 C ATOM 1469 CE LYS A 90 10.212 -20.890 -10.216 1.00 2.31 C ATOM 1470 NZ LYS A 90 10.948 -20.070 -11.212 1.00 12.33 N ATOM 0 H LYS A 90 9.069 -17.487 -5.838 1.00 33.34 H new ATOM 0 HA LYS A 90 10.372 -20.129 -6.068 1.00 31.45 H new ATOM 0 HB2 LYS A 90 11.169 -17.444 -7.301 1.00 23.43 H new ATOM 0 HB3 LYS A 90 12.193 -18.866 -7.324 1.00 23.43 H new ATOM 0 HG2 LYS A 90 9.430 -18.722 -8.578 1.00 73.25 H new ATOM 0 HG3 LYS A 90 10.930 -18.479 -9.451 1.00 73.25 H new ATOM 0 HD2 LYS A 90 11.636 -20.815 -8.611 1.00 3.02 H new ATOM 0 HD3 LYS A 90 9.977 -21.024 -8.086 1.00 3.02 H new ATOM 0 HE2 LYS A 90 10.422 -21.947 -10.381 1.00 2.31 H new ATOM 0 HE3 LYS A 90 9.139 -20.754 -10.347 1.00 2.31 H new ATOM 0 HZ1 LYS A 90 10.921 -20.542 -12.138 1.00 12.33 H new ATOM 0 HZ2 LYS A 90 10.503 -19.133 -11.287 1.00 12.33 H new ATOM 0 HZ3 LYS A 90 11.937 -19.960 -10.909 1.00 12.33 H new ATOM 1484 N THR A 91 11.461 -19.643 -3.896 1.00 40.24 N ATOM 1485 CA THR A 91 12.479 -19.559 -2.838 1.00 4.04 C ATOM 1486 C THR A 91 13.862 -19.917 -3.399 1.00 73.11 C ATOM 1487 O THR A 91 14.895 -19.510 -2.862 1.00 44.13 O ATOM 1488 CB THR A 91 12.161 -20.498 -1.646 1.00 75.44 C ATOM 1489 OG1 THR A 91 13.207 -20.439 -0.663 1.00 70.50 O ATOM 1490 CG2 THR A 91 11.984 -21.942 -2.110 1.00 54.34 C ATOM 0 H THR A 91 10.862 -20.467 -3.842 1.00 40.24 H new ATOM 0 HA THR A 91 12.475 -18.531 -2.475 1.00 4.04 H new ATOM 0 HB THR A 91 11.226 -20.156 -1.202 1.00 75.44 H new ATOM 0 HG1 THR A 91 12.989 -21.036 0.083 1.00 70.50 H new ATOM 0 HG21 THR A 91 11.762 -22.576 -1.251 1.00 54.34 H new ATOM 0 HG22 THR A 91 11.162 -21.997 -2.823 1.00 54.34 H new ATOM 0 HG23 THR A 91 12.902 -22.286 -2.587 1.00 54.34 H new ATOM 1498 N SER A 92 13.864 -20.679 -4.495 1.00 21.15 N ATOM 1499 CA SER A 92 15.100 -21.096 -5.168 1.00 4.44 C ATOM 1500 C SER A 92 15.872 -19.889 -5.718 1.00 41.31 C ATOM 1501 O SER A 92 15.417 -19.219 -6.645 1.00 70.14 O ATOM 1502 CB SER A 92 14.775 -22.064 -6.316 1.00 4.11 C ATOM 1503 OG SER A 92 14.043 -23.192 -5.853 1.00 22.34 O ATOM 0 H SER A 92 13.014 -21.024 -4.941 1.00 21.15 H new ATOM 0 HA SER A 92 15.727 -21.598 -4.431 1.00 4.44 H new ATOM 0 HB2 SER A 92 14.199 -21.543 -7.081 1.00 4.11 H new ATOM 0 HB3 SER A 92 15.700 -22.397 -6.786 1.00 4.11 H new ATOM 0 HG SER A 92 13.850 -23.788 -6.606 1.00 22.34 H new ATOM 1509 N ALA A 93 17.041 -19.623 -5.139 1.00 23.24 N ATOM 1510 CA ALA A 93 17.869 -18.479 -5.542 1.00 71.32 C ATOM 1511 C ALA A 93 18.733 -18.788 -6.775 1.00 45.23 C ATOM 1512 O ALA A 93 18.506 -19.775 -7.477 1.00 32.14 O ATOM 1513 CB ALA A 93 18.755 -18.051 -4.375 1.00 54.42 C ATOM 0 H ALA A 93 17.441 -20.184 -4.387 1.00 23.24 H new ATOM 0 HA ALA A 93 17.197 -17.666 -5.817 1.00 71.32 H new ATOM 0 HB1 ALA A 93 19.369 -17.202 -4.676 1.00 54.42 H new ATOM 0 HB2 ALA A 93 18.130 -17.765 -3.529 1.00 54.42 H new ATOM 0 HB3 ALA A 93 19.400 -18.880 -4.085 1.00 54.42 H new