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 5 GLN : amide:sc= 0.495 K(o=1.6,f=-13!) USER MOD Set 1.2: A 72 LYS NZ :NH3+ -156:sc= 1.08 (180deg=0) USER MOD Set 2.1: A 34 THR OG1 : rot -79:sc= 0.329 USER MOD Set 2.2: A 35 THR OG1 : rot 86:sc= 0.568 USER MOD Set 3.1: A 11 GLN : amide:sc= 0.442 X(o=0.85,f=1.1) USER MOD Set 3.2: A 19 TYR OH : rot 30:sc= 0.408 USER MOD Set 4.1: A 10 TYR OH : rot -39:sc= 0.87 USER MOD Set 4.2: A 12 HIS : no HE2:sc= 0.622 K(o=1.5,f=-6!) USER MOD Single : A 2 SER OG : rot 32:sc= 0.0112 USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= -0.0102 X(o=-0.01,f=0) USER MOD Single : A 8 LYS NZ :NH3+ -126:sc= 0.171 (180deg=-1.68!) USER MOD Single : A 9 ASN : amide:sc= -0.836 X(o=-0.84,f=-0.63) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 MET CE :methyl 161:sc= -0.118 (180deg=-0.558) USER MOD Single : A 21 SER OG : rot 79:sc= 0.375 USER MOD Single : A 22 GLN : amide:sc= -0.468 K(o=-0.47,f=-1.4) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -0.0455 K(o=-0.045,f=-0.64) USER MOD Single : A 36 LYS NZ :NH3+ -178:sc= -0.844 (180deg=-0.884) USER MOD Single : A 39 THR OG1 : rot 102:sc= 0.568 USER MOD Single : A 43 TYR OH : rot 40:sc= -2.09! USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0687) USER MOD Single : A 83 HIS : no HE2:sc= 0.842 K(o=0.84,f=-3.4!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 CYS SG : rot -23:sc= 0.732 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 50:sc= 1.1 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N SER A 2 -4.743 -5.915 1.390 1.00 42.01 N ATOM 21 CA SER A 2 -4.505 -4.551 0.893 1.00 64.34 C ATOM 22 C SER A 2 -4.873 -4.389 -0.591 1.00 62.35 C ATOM 23 O SER A 2 -5.367 -5.320 -1.243 1.00 63.40 O ATOM 24 CB SER A 2 -3.036 -4.156 1.111 1.00 21.43 C ATOM 25 OG SER A 2 -2.727 -4.069 2.495 1.00 25.51 O ATOM 0 HA SER A 2 -5.156 -3.888 1.463 1.00 64.34 H new ATOM 0 HB2 SER A 2 -2.385 -4.890 0.636 1.00 21.43 H new ATOM 0 HB3 SER A 2 -2.839 -3.197 0.631 1.00 21.43 H new ATOM 0 HG SER A 2 -3.270 -4.715 2.993 1.00 25.51 H new ATOM 31 N TRP A 3 -4.635 -3.184 -1.113 1.00 23.41 N ATOM 32 CA TRP A 3 -4.943 -2.860 -2.508 1.00 0.41 C ATOM 33 C TRP A 3 -4.189 -3.780 -3.478 1.00 4.30 C ATOM 34 O TRP A 3 -4.721 -4.156 -4.518 1.00 30.14 O ATOM 35 CB TRP A 3 -4.595 -1.393 -2.805 1.00 0.24 C ATOM 36 CG TRP A 3 -5.254 -0.417 -1.874 1.00 52.43 C ATOM 37 CD1 TRP A 3 -4.652 0.314 -0.891 1.00 50.20 C ATOM 38 CD2 TRP A 3 -6.643 -0.076 -1.832 1.00 3.22 C ATOM 39 NE1 TRP A 3 -5.581 1.090 -0.245 1.00 52.30 N ATOM 40 CE2 TRP A 3 -6.810 0.866 -0.801 1.00 11.22 C ATOM 41 CE3 TRP A 3 -7.762 -0.474 -2.567 1.00 3.41 C ATOM 42 CZ2 TRP A 3 -8.048 1.416 -0.487 1.00 63.53 C ATOM 43 CZ3 TRP A 3 -8.992 0.069 -2.252 1.00 61.43 C ATOM 44 CH2 TRP A 3 -9.127 1.006 -1.220 1.00 52.32 C ATOM 0 H TRP A 3 -4.227 -2.411 -0.587 1.00 23.41 H new ATOM 0 HA TRP A 3 -6.012 -3.014 -2.654 1.00 0.41 H new ATOM 0 HB2 TRP A 3 -3.514 -1.266 -2.745 1.00 0.24 H new ATOM 0 HB3 TRP A 3 -4.887 -1.159 -3.829 1.00 0.24 H new ATOM 0 HD1 TRP A 3 -3.598 0.286 -0.656 1.00 50.20 H new ATOM 0 HE1 TRP A 3 -5.386 1.730 0.525 1.00 52.30 H new ATOM 0 HE3 TRP A 3 -7.667 -1.193 -3.367 1.00 3.41 H new ATOM 0 HZ2 TRP A 3 -8.153 2.141 0.307 1.00 63.53 H new ATOM 0 HZ3 TRP A 3 -9.865 -0.234 -2.811 1.00 61.43 H new ATOM 0 HH2 TRP A 3 -10.103 1.413 -0.999 1.00 52.32 H new ATOM 55 N MET A 4 -2.960 -4.147 -3.115 1.00 60.21 N ATOM 56 CA MET A 4 -2.113 -5.013 -3.949 1.00 45.15 C ATOM 57 C MET A 4 -2.883 -6.254 -4.445 1.00 43.13 C ATOM 58 O MET A 4 -3.172 -6.391 -5.641 1.00 11.01 O ATOM 59 CB MET A 4 -0.868 -5.452 -3.160 1.00 73.52 C ATOM 60 CG MET A 4 0.022 -4.297 -2.716 1.00 13.04 C ATOM 61 SD MET A 4 -0.815 -3.170 -1.580 1.00 2.42 S ATOM 62 CE MET A 4 0.478 -1.966 -1.276 1.00 53.33 C ATOM 0 H MET A 4 -2.522 -3.857 -2.241 1.00 60.21 H new ATOM 0 HA MET A 4 -1.807 -4.436 -4.822 1.00 45.15 H new ATOM 0 HB2 MET A 4 -1.186 -6.011 -2.280 1.00 73.52 H new ATOM 0 HB3 MET A 4 -0.281 -6.134 -3.776 1.00 73.52 H new ATOM 0 HG2 MET A 4 0.915 -4.696 -2.234 1.00 13.04 H new ATOM 0 HG3 MET A 4 0.355 -3.742 -3.593 1.00 13.04 H new ATOM 0 HE1 MET A 4 0.111 -1.203 -0.590 1.00 53.33 H new ATOM 0 HE2 MET A 4 1.342 -2.464 -0.836 1.00 53.33 H new ATOM 0 HE3 MET A 4 0.768 -1.498 -2.217 1.00 53.33 H new ATOM 72 N GLN A 5 -3.222 -7.145 -3.518 1.00 60.23 N ATOM 73 CA GLN A 5 -4.018 -8.337 -3.828 1.00 42.55 C ATOM 74 C GLN A 5 -5.323 -7.962 -4.543 1.00 42.00 C ATOM 75 O GLN A 5 -5.647 -8.508 -5.605 1.00 15.53 O ATOM 76 CB GLN A 5 -4.338 -9.092 -2.531 1.00 22.35 C ATOM 77 CG GLN A 5 -5.375 -10.200 -2.685 1.00 45.35 C ATOM 78 CD GLN A 5 -5.777 -10.816 -1.355 1.00 11.25 C ATOM 79 OE1 GLN A 5 -6.918 -11.209 -1.164 1.00 31.22 O ATOM 80 NE2 GLN A 5 -4.838 -10.945 -0.440 1.00 61.15 N ATOM 0 H GLN A 5 -2.957 -7.066 -2.536 1.00 60.23 H new ATOM 0 HA GLN A 5 -3.436 -8.974 -4.494 1.00 42.55 H new ATOM 0 HB2 GLN A 5 -3.417 -9.525 -2.141 1.00 22.35 H new ATOM 0 HB3 GLN A 5 -4.695 -8.378 -1.788 1.00 22.35 H new ATOM 0 HG2 GLN A 5 -6.261 -9.797 -3.177 1.00 45.35 H new ATOM 0 HG3 GLN A 5 -4.975 -10.978 -3.335 1.00 45.35 H new ATOM 0 HE21 GLN A 5 -3.894 -10.608 -0.627 1.00 61.15 H new ATOM 0 HE22 GLN A 5 -5.055 -11.382 0.456 1.00 61.15 H new ATOM 89 N ASN A 6 -6.051 -7.006 -3.960 1.00 40.20 N ATOM 90 CA ASN A 6 -7.356 -6.584 -4.484 1.00 74.30 C ATOM 91 C ASN A 6 -7.275 -6.118 -5.953 1.00 40.22 C ATOM 92 O ASN A 6 -8.238 -6.258 -6.710 1.00 51.03 O ATOM 93 CB ASN A 6 -7.932 -5.468 -3.599 1.00 23.00 C ATOM 94 CG ASN A 6 -9.306 -5.005 -4.054 1.00 43.13 C ATOM 95 OD1 ASN A 6 -10.321 -5.578 -3.682 1.00 20.14 O ATOM 96 ND2 ASN A 6 -9.351 -3.954 -4.849 1.00 35.22 N ATOM 0 H ASN A 6 -5.758 -6.506 -3.120 1.00 40.20 H new ATOM 0 HA ASN A 6 -8.018 -7.450 -4.462 1.00 74.30 H new ATOM 0 HB2 ASN A 6 -7.996 -5.823 -2.570 1.00 23.00 H new ATOM 0 HB3 ASN A 6 -7.248 -4.619 -3.602 1.00 23.00 H new ATOM 0 HD21 ASN A 6 -10.250 -3.597 -5.172 1.00 35.22 H new ATOM 0 HD22 ASN A 6 -8.487 -3.498 -5.141 1.00 35.22 H new ATOM 103 N LEU A 7 -6.128 -5.571 -6.352 1.00 63.32 N ATOM 104 CA LEU A 7 -5.941 -5.082 -7.722 1.00 64.11 C ATOM 105 C LEU A 7 -5.618 -6.220 -8.706 1.00 21.51 C ATOM 106 O LEU A 7 -6.197 -6.280 -9.786 1.00 33.43 O ATOM 107 CB LEU A 7 -4.846 -4.005 -7.779 1.00 51.44 C ATOM 108 CG LEU A 7 -5.201 -2.672 -7.095 1.00 21.34 C ATOM 109 CD1 LEU A 7 -4.034 -1.692 -7.180 1.00 45.02 C ATOM 110 CD2 LEU A 7 -6.461 -2.064 -7.711 1.00 14.24 C ATOM 0 H LEU A 7 -5.314 -5.454 -5.749 1.00 63.32 H new ATOM 0 HA LEU A 7 -6.888 -4.638 -8.029 1.00 64.11 H new ATOM 0 HB2 LEU A 7 -3.943 -4.403 -7.316 1.00 51.44 H new ATOM 0 HB3 LEU A 7 -4.608 -3.807 -8.824 1.00 51.44 H new ATOM 0 HG LEU A 7 -5.400 -2.875 -6.043 1.00 21.34 H new ATOM 0 HD11 LEU A 7 -4.307 -0.757 -6.690 1.00 45.02 H new ATOM 0 HD12 LEU A 7 -3.163 -2.120 -6.684 1.00 45.02 H new ATOM 0 HD13 LEU A 7 -3.797 -1.498 -8.226 1.00 45.02 H new ATOM 0 HD21 LEU A 7 -6.692 -1.123 -7.212 1.00 14.24 H new ATOM 0 HD22 LEU A 7 -6.295 -1.880 -8.773 1.00 14.24 H new ATOM 0 HD23 LEU A 7 -7.295 -2.754 -7.588 1.00 14.24 H new ATOM 122 N LYS A 8 -4.707 -7.131 -8.342 1.00 20.34 N ATOM 123 CA LYS A 8 -4.327 -8.215 -9.266 1.00 0.44 C ATOM 124 C LYS A 8 -5.390 -9.324 -9.338 1.00 11.03 C ATOM 125 O LYS A 8 -5.246 -10.285 -10.098 1.00 41.13 O ATOM 126 CB LYS A 8 -2.950 -8.801 -8.933 1.00 55.31 C ATOM 127 CG LYS A 8 -2.825 -9.441 -7.557 1.00 4.21 C ATOM 128 CD LYS A 8 -1.437 -10.052 -7.389 1.00 23.53 C ATOM 129 CE LYS A 8 -1.121 -10.398 -5.944 1.00 24.22 C ATOM 130 NZ LYS A 8 0.339 -10.635 -5.747 1.00 22.43 N ATOM 0 H LYS A 8 -4.229 -7.145 -7.441 1.00 20.34 H new ATOM 0 HA LYS A 8 -4.264 -7.759 -10.254 1.00 0.44 H new ATOM 0 HB2 LYS A 8 -2.701 -9.549 -9.686 1.00 55.31 H new ATOM 0 HB3 LYS A 8 -2.207 -8.007 -9.014 1.00 55.31 H new ATOM 0 HG2 LYS A 8 -2.999 -8.694 -6.782 1.00 4.21 H new ATOM 0 HG3 LYS A 8 -3.587 -10.210 -7.434 1.00 4.21 H new ATOM 0 HD2 LYS A 8 -1.365 -10.953 -7.998 1.00 23.53 H new ATOM 0 HD3 LYS A 8 -0.689 -9.353 -7.763 1.00 23.53 H new ATOM 0 HE2 LYS A 8 -1.450 -9.587 -5.294 1.00 24.22 H new ATOM 0 HE3 LYS A 8 -1.678 -11.288 -5.651 1.00 24.22 H new ATOM 0 HZ1 LYS A 8 0.483 -11.565 -5.304 1.00 22.43 H new ATOM 0 HZ2 LYS A 8 0.822 -10.612 -6.668 1.00 22.43 H new ATOM 0 HZ3 LYS A 8 0.731 -9.894 -5.132 1.00 22.43 H new ATOM 144 N ASN A 9 -6.447 -9.200 -8.536 1.00 50.33 N ATOM 145 CA ASN A 9 -7.670 -9.985 -8.762 1.00 34.12 C ATOM 146 C ASN A 9 -8.358 -9.528 -10.069 1.00 42.13 C ATOM 147 O ASN A 9 -9.250 -10.196 -10.592 1.00 44.23 O ATOM 148 CB ASN A 9 -8.634 -9.833 -7.576 1.00 43.35 C ATOM 149 CG ASN A 9 -8.085 -10.413 -6.281 1.00 32.50 C ATOM 150 OD1 ASN A 9 -8.319 -9.882 -5.201 1.00 50.24 O ATOM 151 ND2 ASN A 9 -7.376 -11.524 -6.368 1.00 25.22 N ATOM 0 H ASN A 9 -6.487 -8.573 -7.732 1.00 50.33 H new ATOM 0 HA ASN A 9 -7.397 -11.036 -8.853 1.00 34.12 H new ATOM 0 HB2 ASN A 9 -8.855 -8.776 -7.428 1.00 43.35 H new ATOM 0 HB3 ASN A 9 -9.576 -10.325 -7.816 1.00 43.35 H new ATOM 0 HD21 ASN A 9 -7.008 -11.962 -5.523 1.00 25.22 H new ATOM 0 HD22 ASN A 9 -7.197 -11.944 -7.280 1.00 25.22 H new ATOM 158 N TYR A 10 -7.913 -8.377 -10.578 1.00 23.41 N ATOM 159 CA TYR A 10 -8.433 -7.770 -11.812 1.00 41.43 C ATOM 160 C TYR A 10 -7.299 -7.596 -12.845 1.00 1.32 C ATOM 161 O TYR A 10 -6.195 -7.175 -12.496 1.00 22.52 O ATOM 162 CB TYR A 10 -9.064 -6.411 -11.457 1.00 24.44 C ATOM 163 CG TYR A 10 -9.470 -5.541 -12.636 1.00 60.34 C ATOM 164 CD1 TYR A 10 -10.682 -5.735 -13.292 1.00 4.55 C ATOM 165 CD2 TYR A 10 -8.653 -4.497 -13.068 1.00 61.22 C ATOM 166 CE1 TYR A 10 -11.065 -4.916 -14.339 1.00 74.11 C ATOM 167 CE2 TYR A 10 -9.028 -3.682 -14.118 1.00 75.33 C ATOM 168 CZ TYR A 10 -10.235 -3.893 -14.747 1.00 70.20 C ATOM 169 OH TYR A 10 -10.619 -3.071 -15.784 1.00 51.51 O ATOM 0 H TYR A 10 -7.171 -7.830 -10.141 1.00 23.41 H new ATOM 0 HA TYR A 10 -9.188 -8.418 -12.258 1.00 41.43 H new ATOM 0 HB2 TYR A 10 -9.946 -6.591 -10.842 1.00 24.44 H new ATOM 0 HB3 TYR A 10 -8.357 -5.852 -10.844 1.00 24.44 H new ATOM 0 HD1 TYR A 10 -11.334 -6.537 -12.979 1.00 4.55 H new ATOM 0 HD2 TYR A 10 -7.709 -4.322 -12.572 1.00 61.22 H new ATOM 0 HE1 TYR A 10 -12.011 -5.077 -14.835 1.00 74.11 H new ATOM 0 HE2 TYR A 10 -8.378 -2.883 -14.444 1.00 75.33 H new ATOM 0 HH TYR A 10 -11.067 -3.603 -16.475 1.00 51.51 H new ATOM 179 N GLN A 11 -7.567 -7.929 -14.110 1.00 54.51 N ATOM 180 CA GLN A 11 -6.545 -7.849 -15.172 1.00 35.30 C ATOM 181 C GLN A 11 -6.967 -6.888 -16.298 1.00 74.55 C ATOM 182 O GLN A 11 -6.423 -5.790 -16.430 1.00 3.30 O ATOM 183 CB GLN A 11 -6.278 -9.246 -15.752 1.00 23.14 C ATOM 184 CG GLN A 11 -5.649 -10.228 -14.766 1.00 12.01 C ATOM 185 CD GLN A 11 -4.233 -9.844 -14.362 1.00 72.15 C ATOM 186 OE1 GLN A 11 -3.499 -9.220 -15.124 1.00 11.14 O ATOM 187 NE2 GLN A 11 -3.830 -10.234 -13.169 1.00 63.11 N ATOM 0 H GLN A 11 -8.479 -8.256 -14.429 1.00 54.51 H new ATOM 0 HA GLN A 11 -5.632 -7.458 -14.723 1.00 35.30 H new ATOM 0 HB2 GLN A 11 -7.219 -9.663 -16.111 1.00 23.14 H new ATOM 0 HB3 GLN A 11 -5.622 -9.148 -16.617 1.00 23.14 H new ATOM 0 HG2 GLN A 11 -6.272 -10.286 -13.873 1.00 12.01 H new ATOM 0 HG3 GLN A 11 -5.636 -11.223 -15.211 1.00 12.01 H new ATOM 0 HE21 GLN A 11 -4.464 -10.751 -12.560 1.00 63.11 H new ATOM 0 HE22 GLN A 11 -2.884 -10.019 -12.855 1.00 63.11 H new ATOM 196 N HIS A 12 -7.932 -7.323 -17.114 1.00 0.12 N ATOM 197 CA HIS A 12 -8.474 -6.509 -18.212 1.00 45.31 C ATOM 198 C HIS A 12 -7.372 -6.047 -19.190 1.00 41.31 C ATOM 199 O HIS A 12 -7.394 -4.919 -19.684 1.00 21.23 O ATOM 200 CB HIS A 12 -9.242 -5.313 -17.627 1.00 11.33 C ATOM 201 CG HIS A 12 -10.047 -4.528 -18.623 1.00 42.43 C ATOM 202 ND1 HIS A 12 -10.386 -3.206 -18.431 1.00 3.30 N ATOM 203 CD2 HIS A 12 -10.604 -4.883 -19.808 1.00 53.13 C ATOM 204 CE1 HIS A 12 -11.107 -2.784 -19.448 1.00 15.45 C ATOM 205 NE2 HIS A 12 -11.254 -3.777 -20.295 1.00 33.41 N ATOM 0 H HIS A 12 -8.360 -8.246 -17.035 1.00 0.12 H new ATOM 0 HA HIS A 12 -9.160 -7.125 -18.793 1.00 45.31 H new ATOM 0 HB2 HIS A 12 -9.911 -5.676 -16.847 1.00 11.33 H new ATOM 0 HB3 HIS A 12 -8.529 -4.642 -17.148 1.00 11.33 H new ATOM 0 HD1 HIS A 12 -10.119 -2.641 -17.625 1.00 3.30 H new ATOM 0 HD2 HIS A 12 -10.547 -5.853 -20.279 1.00 53.13 H new ATOM 0 HE1 HIS A 12 -11.510 -1.789 -19.566 1.00 15.45 H new ATOM 214 N LEU A 13 -6.412 -6.936 -19.461 1.00 65.24 N ATOM 215 CA LEU A 13 -5.362 -6.694 -20.465 1.00 24.22 C ATOM 216 C LEU A 13 -4.383 -5.575 -20.038 1.00 42.52 C ATOM 217 O LEU A 13 -3.517 -5.158 -20.814 1.00 0.05 O ATOM 218 CB LEU A 13 -6.010 -6.368 -21.828 1.00 2.23 C ATOM 219 CG LEU A 13 -5.056 -6.319 -23.034 1.00 34.53 C ATOM 220 CD1 LEU A 13 -4.386 -7.675 -23.251 1.00 21.11 C ATOM 221 CD2 LEU A 13 -5.804 -5.870 -24.291 1.00 34.22 C ATOM 0 H LEU A 13 -6.337 -7.840 -18.995 1.00 65.24 H new ATOM 0 HA LEU A 13 -4.771 -7.605 -20.554 1.00 24.22 H new ATOM 0 HB2 LEU A 13 -6.780 -7.113 -22.029 1.00 2.23 H new ATOM 0 HB3 LEU A 13 -6.512 -5.404 -21.748 1.00 2.23 H new ATOM 0 HG LEU A 13 -4.274 -5.589 -22.824 1.00 34.53 H new ATOM 0 HD11 LEU A 13 -3.716 -7.617 -24.109 1.00 21.11 H new ATOM 0 HD12 LEU A 13 -3.815 -7.945 -22.363 1.00 21.11 H new ATOM 0 HD13 LEU A 13 -5.148 -8.432 -23.437 1.00 21.11 H new ATOM 0 HD21 LEU A 13 -5.114 -5.841 -25.134 1.00 34.22 H new ATOM 0 HD22 LEU A 13 -6.610 -6.572 -24.505 1.00 34.22 H new ATOM 0 HD23 LEU A 13 -6.222 -4.876 -24.130 1.00 34.22 H new ATOM 233 N ARG A 14 -4.501 -5.102 -18.798 1.00 30.22 N ATOM 234 CA ARG A 14 -3.622 -4.039 -18.293 1.00 53.11 C ATOM 235 C ARG A 14 -2.404 -4.594 -17.539 1.00 70.52 C ATOM 236 O ARG A 14 -2.229 -5.806 -17.403 1.00 13.02 O ATOM 237 CB ARG A 14 -4.408 -3.060 -17.405 1.00 52.04 C ATOM 238 CG ARG A 14 -5.197 -2.023 -18.198 1.00 33.21 C ATOM 239 CD ARG A 14 -4.273 -1.170 -19.067 1.00 33.43 C ATOM 240 NE ARG A 14 -5.014 -0.266 -19.943 1.00 24.33 N ATOM 241 CZ ARG A 14 -4.790 -0.142 -21.223 1.00 3.14 C ATOM 242 NH1 ARG A 14 -3.833 -0.803 -21.794 1.00 32.24 N ATOM 243 NH2 ARG A 14 -5.511 0.659 -21.936 1.00 71.24 N ATOM 0 H ARG A 14 -5.192 -5.434 -18.125 1.00 30.22 H new ATOM 0 HA ARG A 14 -3.242 -3.501 -19.162 1.00 53.11 H new ATOM 0 HB2 ARG A 14 -5.095 -3.624 -16.775 1.00 52.04 H new ATOM 0 HB3 ARG A 14 -3.714 -2.547 -16.740 1.00 52.04 H new ATOM 0 HG2 ARG A 14 -5.932 -2.525 -18.828 1.00 33.21 H new ATOM 0 HG3 ARG A 14 -5.750 -1.381 -17.512 1.00 33.21 H new ATOM 0 HD2 ARG A 14 -3.610 -0.589 -18.426 1.00 33.43 H new ATOM 0 HD3 ARG A 14 -3.642 -1.822 -19.671 1.00 33.43 H new ATOM 0 HE ARG A 14 -5.752 0.304 -19.529 1.00 24.33 H new ATOM 0 HH11 ARG A 14 -3.245 -1.428 -21.243 1.00 32.24 H new ATOM 0 HH12 ARG A 14 -3.667 -0.698 -22.795 1.00 32.24 H new ATOM 0 HH21 ARG A 14 -6.259 1.198 -21.499 1.00 71.24 H new ATOM 0 HH22 ARG A 14 -5.332 0.753 -22.936 1.00 71.24 H new ATOM 257 N ASP A 15 -1.562 -3.681 -17.062 1.00 31.00 N ATOM 258 CA ASP A 15 -0.314 -4.026 -16.373 1.00 70.24 C ATOM 259 C ASP A 15 -0.407 -3.739 -14.859 1.00 15.20 C ATOM 260 O ASP A 15 -0.242 -2.600 -14.417 1.00 34.44 O ATOM 261 CB ASP A 15 0.851 -3.252 -17.014 1.00 13.24 C ATOM 262 CG ASP A 15 0.463 -1.831 -17.405 1.00 12.41 C ATOM 263 OD1 ASP A 15 0.529 -0.927 -16.550 1.00 72.40 O ATOM 264 OD2 ASP A 15 0.068 -1.616 -18.572 1.00 54.03 O ATOM 0 H ASP A 15 -1.723 -2.677 -17.141 1.00 31.00 H new ATOM 0 HA ASP A 15 -0.136 -5.096 -16.482 1.00 70.24 H new ATOM 0 HB2 ASP A 15 1.688 -3.218 -16.316 1.00 13.24 H new ATOM 0 HB3 ASP A 15 1.196 -3.788 -17.899 1.00 13.24 H new ATOM 269 N PRO A 16 -0.707 -4.768 -14.042 1.00 2.10 N ATOM 270 CA PRO A 16 -0.838 -4.608 -12.584 1.00 45.43 C ATOM 271 C PRO A 16 0.422 -4.037 -11.903 1.00 52.15 C ATOM 272 O PRO A 16 1.470 -4.696 -11.811 1.00 74.31 O ATOM 273 CB PRO A 16 -1.135 -6.034 -12.091 1.00 44.23 C ATOM 274 CG PRO A 16 -1.715 -6.721 -13.282 1.00 0.31 C ATOM 275 CD PRO A 16 -0.980 -6.154 -14.466 1.00 53.35 C ATOM 0 HA PRO A 16 -1.614 -3.884 -12.336 1.00 45.43 H new ATOM 0 HB2 PRO A 16 -0.229 -6.533 -11.746 1.00 44.23 H new ATOM 0 HB3 PRO A 16 -1.834 -6.029 -11.255 1.00 44.23 H new ATOM 0 HG2 PRO A 16 -1.581 -7.801 -13.217 1.00 0.31 H new ATOM 0 HG3 PRO A 16 -2.786 -6.536 -13.359 1.00 0.31 H new ATOM 0 HD2 PRO A 16 -0.061 -6.703 -14.674 1.00 53.35 H new ATOM 0 HD3 PRO A 16 -1.584 -6.189 -15.373 1.00 53.35 H new ATOM 283 N SER A 17 0.305 -2.798 -11.419 1.00 52.41 N ATOM 284 CA SER A 17 1.374 -2.153 -10.643 1.00 74.12 C ATOM 285 C SER A 17 1.778 -3.029 -9.453 1.00 63.42 C ATOM 286 O SER A 17 2.890 -2.921 -8.933 1.00 54.31 O ATOM 287 CB SER A 17 0.923 -0.772 -10.142 1.00 41.10 C ATOM 288 OG SER A 17 0.598 0.089 -11.224 1.00 12.34 O ATOM 0 H SER A 17 -0.523 -2.217 -11.550 1.00 52.41 H new ATOM 0 HA SER A 17 2.236 -2.026 -11.298 1.00 74.12 H new ATOM 0 HB2 SER A 17 0.056 -0.884 -9.491 1.00 41.10 H new ATOM 0 HB3 SER A 17 1.716 -0.323 -9.543 1.00 41.10 H new ATOM 0 HG SER A 17 0.313 0.959 -10.875 1.00 12.34 H new ATOM 294 N GLU A 18 0.852 -3.892 -9.030 1.00 42.44 N ATOM 295 CA GLU A 18 1.126 -4.886 -7.993 1.00 22.45 C ATOM 296 C GLU A 18 2.324 -5.753 -8.393 1.00 64.15 C ATOM 297 O GLU A 18 3.295 -5.837 -7.656 1.00 61.02 O ATOM 298 CB GLU A 18 -0.120 -5.756 -7.754 1.00 33.51 C ATOM 299 CG GLU A 18 -0.141 -6.485 -6.408 1.00 13.34 C ATOM 300 CD GLU A 18 0.814 -7.667 -6.302 1.00 60.42 C ATOM 301 OE1 GLU A 18 1.093 -8.310 -7.331 1.00 70.00 O ATOM 302 OE2 GLU A 18 1.241 -7.995 -5.173 1.00 40.30 O ATOM 0 H GLU A 18 -0.101 -3.921 -9.394 1.00 42.44 H new ATOM 0 HA GLU A 18 1.371 -4.371 -7.064 1.00 22.45 H new ATOM 0 HB2 GLU A 18 -1.006 -5.125 -7.824 1.00 33.51 H new ATOM 0 HB3 GLU A 18 -0.190 -6.494 -8.553 1.00 33.51 H new ATOM 0 HG2 GLU A 18 0.100 -5.771 -5.621 1.00 13.34 H new ATOM 0 HG3 GLU A 18 -1.155 -6.838 -6.219 1.00 13.34 H new ATOM 309 N TYR A 19 2.256 -6.369 -9.579 1.00 71.10 N ATOM 310 CA TYR A 19 3.373 -7.171 -10.103 1.00 12.31 C ATOM 311 C TYR A 19 4.669 -6.351 -10.111 1.00 14.04 C ATOM 312 O TYR A 19 5.712 -6.777 -9.588 1.00 32.21 O ATOM 313 CB TYR A 19 3.067 -7.668 -11.527 1.00 12.43 C ATOM 314 CG TYR A 19 1.862 -8.589 -11.634 1.00 4.24 C ATOM 315 CD1 TYR A 19 1.341 -9.231 -10.515 1.00 2.51 C ATOM 316 CD2 TYR A 19 1.242 -8.812 -12.860 1.00 0.13 C ATOM 317 CE1 TYR A 19 0.245 -10.064 -10.614 1.00 12.54 C ATOM 318 CE2 TYR A 19 0.143 -9.643 -12.966 1.00 4.14 C ATOM 319 CZ TYR A 19 -0.352 -10.266 -11.839 1.00 62.32 C ATOM 320 OH TYR A 19 -1.449 -11.091 -11.939 1.00 24.13 O ATOM 0 H TYR A 19 1.443 -6.329 -10.194 1.00 71.10 H new ATOM 0 HA TYR A 19 3.502 -8.033 -9.449 1.00 12.31 H new ATOM 0 HB2 TYR A 19 2.905 -6.804 -12.172 1.00 12.43 H new ATOM 0 HB3 TYR A 19 3.943 -8.192 -11.910 1.00 12.43 H new ATOM 0 HD1 TYR A 19 1.803 -9.075 -9.551 1.00 2.51 H new ATOM 0 HD2 TYR A 19 1.627 -8.327 -13.745 1.00 0.13 H new ATOM 0 HE1 TYR A 19 -0.143 -10.556 -9.734 1.00 12.54 H new ATOM 0 HE2 TYR A 19 -0.326 -9.804 -13.926 1.00 4.14 H new ATOM 0 HH TYR A 19 -1.954 -11.067 -11.099 1.00 24.13 H new ATOM 330 N MET A 20 4.573 -5.146 -10.679 1.00 53.12 N ATOM 331 CA MET A 20 5.707 -4.212 -10.721 1.00 45.43 C ATOM 332 C MET A 20 6.274 -3.941 -9.314 1.00 23.34 C ATOM 333 O MET A 20 7.432 -3.551 -9.164 1.00 62.33 O ATOM 334 CB MET A 20 5.276 -2.887 -11.365 1.00 1.23 C ATOM 335 CG MET A 20 4.726 -3.037 -12.776 1.00 21.03 C ATOM 336 SD MET A 20 4.234 -1.458 -13.495 1.00 41.22 S ATOM 337 CE MET A 20 5.811 -0.609 -13.583 1.00 52.14 C ATOM 0 H MET A 20 3.723 -4.792 -11.117 1.00 53.12 H new ATOM 0 HA MET A 20 6.492 -4.675 -11.320 1.00 45.43 H new ATOM 0 HB2 MET A 20 4.517 -2.419 -10.738 1.00 1.23 H new ATOM 0 HB3 MET A 20 6.131 -2.211 -11.389 1.00 1.23 H new ATOM 0 HG2 MET A 20 5.481 -3.502 -13.410 1.00 21.03 H new ATOM 0 HG3 MET A 20 3.867 -3.708 -12.759 1.00 21.03 H new ATOM 0 HE1 MET A 20 5.741 0.215 -14.293 1.00 52.14 H new ATOM 0 HE2 MET A 20 6.070 -0.219 -12.599 1.00 52.14 H new ATOM 0 HE3 MET A 20 6.582 -1.306 -13.911 1.00 52.14 H new ATOM 347 N SER A 21 5.436 -4.134 -8.295 1.00 22.44 N ATOM 348 CA SER A 21 5.841 -3.949 -6.893 1.00 61.24 C ATOM 349 C SER A 21 6.064 -5.289 -6.172 1.00 14.21 C ATOM 350 O SER A 21 6.701 -5.323 -5.121 1.00 11.21 O ATOM 351 CB SER A 21 4.772 -3.150 -6.131 1.00 21.20 C ATOM 352 OG SER A 21 4.572 -1.866 -6.702 1.00 3.12 O ATOM 0 H SER A 21 4.464 -4.421 -8.412 1.00 22.44 H new ATOM 0 HA SER A 21 6.785 -3.404 -6.906 1.00 61.24 H new ATOM 0 HB2 SER A 21 3.832 -3.702 -6.137 1.00 21.20 H new ATOM 0 HB3 SER A 21 5.072 -3.042 -5.089 1.00 21.20 H new ATOM 0 HG SER A 21 4.014 -1.948 -7.503 1.00 3.12 H new ATOM 358 N GLN A 22 5.538 -6.384 -6.728 1.00 15.13 N ATOM 359 CA GLN A 22 5.578 -7.691 -6.055 1.00 41.24 C ATOM 360 C GLN A 22 6.991 -8.276 -6.089 1.00 14.55 C ATOM 361 O GLN A 22 7.418 -8.943 -5.148 1.00 54.21 O ATOM 362 CB GLN A 22 4.574 -8.682 -6.688 1.00 11.42 C ATOM 363 CG GLN A 22 5.085 -9.397 -7.940 1.00 74.20 C ATOM 364 CD GLN A 22 4.062 -10.346 -8.551 1.00 71.54 C ATOM 365 OE1 GLN A 22 3.193 -10.885 -7.866 1.00 42.23 O ATOM 366 NE2 GLN A 22 4.169 -10.574 -9.843 1.00 30.21 N ATOM 0 H GLN A 22 5.080 -6.395 -7.639 1.00 15.13 H new ATOM 0 HA GLN A 22 5.289 -7.534 -5.016 1.00 41.24 H new ATOM 0 HB2 GLN A 22 4.305 -9.431 -5.943 1.00 11.42 H new ATOM 0 HB3 GLN A 22 3.662 -8.142 -6.941 1.00 11.42 H new ATOM 0 HG2 GLN A 22 5.370 -8.653 -8.684 1.00 74.20 H new ATOM 0 HG3 GLN A 22 5.985 -9.957 -7.688 1.00 74.20 H new ATOM 0 HE21 GLN A 22 4.900 -10.112 -10.384 1.00 30.21 H new ATOM 0 HE22 GLN A 22 3.521 -11.213 -10.304 1.00 30.21 H new ATOM 375 N VAL A 23 7.712 -8.031 -7.183 1.00 54.24 N ATOM 376 CA VAL A 23 9.106 -8.476 -7.289 1.00 2.22 C ATOM 377 C VAL A 23 10.092 -7.295 -7.206 1.00 11.43 C ATOM 378 O VAL A 23 10.014 -6.339 -7.981 1.00 74.43 O ATOM 379 CB VAL A 23 9.351 -9.283 -8.589 1.00 74.34 C ATOM 380 CG1 VAL A 23 8.640 -10.635 -8.527 1.00 73.53 C ATOM 381 CG2 VAL A 23 8.898 -8.494 -9.814 1.00 64.33 C ATOM 0 H VAL A 23 7.361 -7.533 -8.001 1.00 54.24 H new ATOM 0 HA VAL A 23 9.288 -9.132 -6.438 1.00 2.22 H new ATOM 0 HB VAL A 23 10.423 -9.462 -8.678 1.00 74.34 H new ATOM 0 HG11 VAL A 23 8.825 -11.186 -9.449 1.00 73.53 H new ATOM 0 HG12 VAL A 23 9.019 -11.207 -7.680 1.00 73.53 H new ATOM 0 HG13 VAL A 23 7.568 -10.477 -8.407 1.00 73.53 H new ATOM 0 HG21 VAL A 23 9.081 -9.082 -10.713 1.00 64.33 H new ATOM 0 HG22 VAL A 23 7.833 -8.276 -9.733 1.00 64.33 H new ATOM 0 HG23 VAL A 23 9.456 -7.560 -9.872 1.00 64.33 H new ATOM 391 N TYR A 24 11.021 -7.371 -6.251 1.00 34.32 N ATOM 392 CA TYR A 24 12.016 -6.310 -6.034 1.00 53.31 C ATOM 393 C TYR A 24 13.083 -6.282 -7.147 1.00 64.23 C ATOM 394 O TYR A 24 13.796 -5.287 -7.311 1.00 15.44 O ATOM 395 CB TYR A 24 12.690 -6.506 -4.665 1.00 51.44 C ATOM 396 CG TYR A 24 13.755 -5.474 -4.348 1.00 23.02 C ATOM 397 CD1 TYR A 24 13.413 -4.228 -3.837 1.00 64.21 C ATOM 398 CD2 TYR A 24 15.102 -5.742 -4.573 1.00 73.53 C ATOM 399 CE1 TYR A 24 14.379 -3.283 -3.559 1.00 61.45 C ATOM 400 CE2 TYR A 24 16.072 -4.800 -4.300 1.00 22.42 C ATOM 401 CZ TYR A 24 15.706 -3.573 -3.793 1.00 53.22 C ATOM 402 OH TYR A 24 16.670 -2.628 -3.526 1.00 54.13 O ATOM 0 H TYR A 24 11.108 -8.160 -5.610 1.00 34.32 H new ATOM 0 HA TYR A 24 11.494 -5.353 -6.058 1.00 53.31 H new ATOM 0 HB2 TYR A 24 11.926 -6.475 -3.888 1.00 51.44 H new ATOM 0 HB3 TYR A 24 13.139 -7.499 -4.631 1.00 51.44 H new ATOM 0 HD1 TYR A 24 12.374 -3.996 -3.654 1.00 64.21 H new ATOM 0 HD2 TYR A 24 15.393 -6.704 -4.968 1.00 73.53 H new ATOM 0 HE1 TYR A 24 14.097 -2.320 -3.160 1.00 61.45 H new ATOM 0 HE2 TYR A 24 17.113 -5.023 -4.483 1.00 22.42 H new ATOM 0 HH TYR A 24 17.554 -2.991 -3.745 1.00 54.13 H new ATOM 412 N GLY A 25 13.194 -7.383 -7.892 1.00 42.25 N ATOM 413 CA GLY A 25 14.175 -7.488 -8.973 1.00 70.35 C ATOM 414 C GLY A 25 14.231 -6.273 -9.909 1.00 32.33 C ATOM 415 O GLY A 25 13.293 -5.472 -9.976 1.00 1.03 O ATOM 0 H GLY A 25 12.617 -8.214 -7.767 1.00 42.25 H new ATOM 0 HA2 GLY A 25 15.162 -7.639 -8.536 1.00 70.35 H new ATOM 0 HA3 GLY A 25 13.950 -8.375 -9.565 1.00 70.35 H new ATOM 419 N ASP A 26 15.345 -6.153 -10.633 1.00 22.23 N ATOM 420 CA ASP A 26 15.598 -5.025 -11.541 1.00 62.33 C ATOM 421 C ASP A 26 14.415 -4.758 -12.503 1.00 14.24 C ATOM 422 O ASP A 26 13.690 -5.677 -12.884 1.00 71.23 O ATOM 423 CB ASP A 26 16.888 -5.297 -12.328 1.00 12.50 C ATOM 424 CG ASP A 26 18.088 -5.476 -11.412 1.00 34.01 C ATOM 425 OD1 ASP A 26 18.083 -6.423 -10.598 1.00 34.35 O ATOM 426 OD2 ASP A 26 19.029 -4.658 -11.478 1.00 64.10 O ATOM 0 H ASP A 26 16.102 -6.836 -10.608 1.00 22.23 H new ATOM 0 HA ASP A 26 15.710 -4.124 -10.938 1.00 62.33 H new ATOM 0 HB2 ASP A 26 16.760 -6.192 -12.936 1.00 12.50 H new ATOM 0 HB3 ASP A 26 17.075 -4.470 -13.013 1.00 12.50 H new ATOM 431 N PRO A 27 14.224 -3.486 -12.922 1.00 54.23 N ATOM 432 CA PRO A 27 13.051 -3.053 -13.712 1.00 45.20 C ATOM 433 C PRO A 27 12.737 -3.952 -14.925 1.00 25.10 C ATOM 434 O PRO A 27 11.571 -4.281 -15.180 1.00 33.33 O ATOM 435 CB PRO A 27 13.423 -1.626 -14.174 1.00 11.25 C ATOM 436 CG PRO A 27 14.877 -1.465 -13.849 1.00 40.43 C ATOM 437 CD PRO A 27 15.134 -2.357 -12.668 1.00 54.50 C ATOM 0 HA PRO A 27 12.144 -3.105 -13.110 1.00 45.20 H new ATOM 0 HB2 PRO A 27 13.243 -1.500 -15.242 1.00 11.25 H new ATOM 0 HB3 PRO A 27 12.821 -0.878 -13.659 1.00 11.25 H new ATOM 0 HG2 PRO A 27 15.501 -1.749 -14.697 1.00 40.43 H new ATOM 0 HG3 PRO A 27 15.112 -0.427 -13.614 1.00 40.43 H new ATOM 0 HD2 PRO A 27 16.175 -2.677 -12.619 1.00 54.50 H new ATOM 0 HD3 PRO A 27 14.909 -1.858 -11.725 1.00 54.50 H new ATOM 445 N LEU A 28 13.770 -4.348 -15.668 1.00 44.21 N ATOM 446 CA LEU A 28 13.587 -5.171 -16.873 1.00 42.14 C ATOM 447 C LEU A 28 12.980 -6.552 -16.556 1.00 24.22 C ATOM 448 O LEU A 28 12.353 -7.166 -17.421 1.00 33.03 O ATOM 449 CB LEU A 28 14.918 -5.328 -17.631 1.00 2.44 C ATOM 450 CG LEU A 28 15.298 -4.152 -18.555 1.00 34.43 C ATOM 451 CD1 LEU A 28 15.396 -2.841 -17.774 1.00 51.42 C ATOM 452 CD2 LEU A 28 16.607 -4.445 -19.290 1.00 70.53 C ATOM 0 H LEU A 28 14.741 -4.115 -15.461 1.00 44.21 H new ATOM 0 HA LEU A 28 12.875 -4.647 -17.510 1.00 42.14 H new ATOM 0 HB2 LEU A 28 15.717 -5.468 -16.903 1.00 2.44 H new ATOM 0 HB3 LEU A 28 14.870 -6.237 -18.230 1.00 2.44 H new ATOM 0 HG LEU A 28 14.506 -4.039 -19.295 1.00 34.43 H new ATOM 0 HD11 LEU A 28 15.665 -2.032 -18.453 1.00 51.42 H new ATOM 0 HD12 LEU A 28 14.434 -2.621 -17.311 1.00 51.42 H new ATOM 0 HD13 LEU A 28 16.158 -2.934 -17.001 1.00 51.42 H new ATOM 0 HD21 LEU A 28 16.858 -3.604 -19.936 1.00 70.53 H new ATOM 0 HD22 LEU A 28 17.406 -4.595 -18.564 1.00 70.53 H new ATOM 0 HD23 LEU A 28 16.492 -5.345 -19.894 1.00 70.53 H new ATOM 464 N ALA A 29 13.149 -7.024 -15.318 1.00 1.02 N ATOM 465 CA ALA A 29 12.585 -8.314 -14.897 1.00 75.31 C ATOM 466 C ALA A 29 11.050 -8.315 -15.002 1.00 24.42 C ATOM 467 O ALA A 29 10.487 -8.901 -15.929 1.00 63.44 O ATOM 468 CB ALA A 29 13.030 -8.652 -13.476 1.00 2.13 C ATOM 0 H ALA A 29 13.670 -6.535 -14.590 1.00 1.02 H new ATOM 0 HA ALA A 29 12.963 -9.082 -15.572 1.00 75.31 H new ATOM 0 HB1 ALA A 29 12.604 -9.610 -13.179 1.00 2.13 H new ATOM 0 HB2 ALA A 29 14.118 -8.712 -13.440 1.00 2.13 H new ATOM 0 HB3 ALA A 29 12.687 -7.875 -12.793 1.00 2.13 H new ATOM 474 N TYR A 30 10.376 -7.624 -14.076 1.00 54.11 N ATOM 475 CA TYR A 30 8.908 -7.546 -14.098 1.00 2.51 C ATOM 476 C TYR A 30 8.384 -6.850 -15.368 1.00 32.31 C ATOM 477 O TYR A 30 7.199 -6.948 -15.698 1.00 62.42 O ATOM 478 CB TYR A 30 8.360 -6.869 -12.832 1.00 13.34 C ATOM 479 CG TYR A 30 8.947 -5.504 -12.515 1.00 32.22 C ATOM 480 CD1 TYR A 30 8.420 -4.347 -13.080 1.00 32.32 C ATOM 481 CD2 TYR A 30 10.010 -5.372 -11.627 1.00 42.04 C ATOM 482 CE1 TYR A 30 8.934 -3.104 -12.772 1.00 1.32 C ATOM 483 CE2 TYR A 30 10.531 -4.131 -11.317 1.00 23.05 C ATOM 484 CZ TYR A 30 9.987 -3.001 -11.891 1.00 61.21 C ATOM 485 OH TYR A 30 10.499 -1.761 -11.583 1.00 2.31 O ATOM 0 H TYR A 30 10.816 -7.115 -13.309 1.00 54.11 H new ATOM 0 HA TYR A 30 8.539 -8.572 -14.115 1.00 2.51 H new ATOM 0 HB2 TYR A 30 7.280 -6.766 -12.935 1.00 13.34 H new ATOM 0 HB3 TYR A 30 8.538 -7.528 -11.982 1.00 13.34 H new ATOM 0 HD1 TYR A 30 7.594 -4.423 -13.772 1.00 32.32 H new ATOM 0 HD2 TYR A 30 10.435 -6.255 -11.172 1.00 42.04 H new ATOM 0 HE1 TYR A 30 8.512 -2.216 -13.220 1.00 1.32 H new ATOM 0 HE2 TYR A 30 11.359 -4.046 -10.629 1.00 23.05 H new ATOM 0 HH TYR A 30 11.237 -1.861 -10.946 1.00 2.31 H new ATOM 495 N LEU A 31 9.264 -6.143 -16.081 1.00 60.21 N ATOM 496 CA LEU A 31 8.923 -5.625 -17.410 1.00 70.24 C ATOM 497 C LEU A 31 8.594 -6.800 -18.349 1.00 64.41 C ATOM 498 O LEU A 31 7.581 -6.787 -19.050 1.00 3.22 O ATOM 499 CB LEU A 31 10.087 -4.774 -17.967 1.00 45.14 C ATOM 500 CG LEU A 31 9.796 -3.926 -19.227 1.00 62.33 C ATOM 501 CD1 LEU A 31 9.737 -4.783 -20.490 1.00 14.34 C ATOM 502 CD2 LEU A 31 8.501 -3.133 -19.055 1.00 12.14 C ATOM 0 H LEU A 31 10.208 -5.917 -15.766 1.00 60.21 H new ATOM 0 HA LEU A 31 8.046 -4.982 -17.337 1.00 70.24 H new ATOM 0 HB2 LEU A 31 10.424 -4.103 -17.177 1.00 45.14 H new ATOM 0 HB3 LEU A 31 10.918 -5.443 -18.193 1.00 45.14 H new ATOM 0 HG LEU A 31 10.623 -3.226 -19.346 1.00 62.33 H new ATOM 0 HD11 LEU A 31 9.530 -4.148 -21.351 1.00 14.34 H new ATOM 0 HD12 LEU A 31 10.693 -5.288 -20.632 1.00 14.34 H new ATOM 0 HD13 LEU A 31 8.946 -5.526 -20.389 1.00 14.34 H new ATOM 0 HD21 LEU A 31 8.314 -2.543 -19.952 1.00 12.14 H new ATOM 0 HD22 LEU A 31 7.671 -3.821 -18.894 1.00 12.14 H new ATOM 0 HD23 LEU A 31 8.593 -2.468 -18.196 1.00 12.14 H new ATOM 514 N GLN A 32 9.444 -7.828 -18.335 1.00 24.14 N ATOM 515 CA GLN A 32 9.214 -9.034 -19.138 1.00 31.11 C ATOM 516 C GLN A 32 8.091 -9.899 -18.535 1.00 70.04 C ATOM 517 O GLN A 32 7.335 -10.546 -19.263 1.00 12.02 O ATOM 518 CB GLN A 32 10.504 -9.857 -19.251 1.00 11.14 C ATOM 519 CG GLN A 32 11.677 -9.094 -19.861 1.00 33.32 C ATOM 520 CD GLN A 32 11.397 -8.601 -21.272 1.00 23.22 C ATOM 521 OE1 GLN A 32 10.656 -9.221 -22.027 1.00 41.32 O ATOM 522 NE2 GLN A 32 11.982 -7.476 -21.636 1.00 45.31 N ATOM 0 H GLN A 32 10.298 -7.851 -17.777 1.00 24.14 H new ATOM 0 HA GLN A 32 8.905 -8.716 -20.134 1.00 31.11 H new ATOM 0 HB2 GLN A 32 10.788 -10.206 -18.258 1.00 11.14 H new ATOM 0 HB3 GLN A 32 10.306 -10.742 -19.856 1.00 11.14 H new ATOM 0 HG2 GLN A 32 11.918 -8.242 -19.226 1.00 33.32 H new ATOM 0 HG3 GLN A 32 12.555 -9.740 -19.875 1.00 33.32 H new ATOM 0 HE21 GLN A 32 12.593 -6.985 -20.984 1.00 45.31 H new ATOM 0 HE22 GLN A 32 11.823 -7.098 -22.570 1.00 45.31 H new ATOM 531 N GLU A 33 8.003 -9.913 -17.202 1.00 4.35 N ATOM 532 CA GLU A 33 6.931 -10.628 -16.488 1.00 62.13 C ATOM 533 C GLU A 33 5.546 -10.221 -17.003 1.00 23.53 C ATOM 534 O GLU A 33 4.718 -11.069 -17.321 1.00 1.21 O ATOM 535 CB GLU A 33 7.021 -10.346 -14.981 1.00 54.23 C ATOM 536 CG GLU A 33 5.965 -11.057 -14.141 1.00 41.44 C ATOM 537 CD GLU A 33 6.083 -10.727 -12.659 1.00 73.13 C ATOM 538 OE1 GLU A 33 5.500 -9.710 -12.227 1.00 71.20 O ATOM 539 OE2 GLU A 33 6.763 -11.479 -11.931 1.00 34.43 O ATOM 0 H GLU A 33 8.664 -9.435 -16.589 1.00 4.35 H new ATOM 0 HA GLU A 33 7.065 -11.694 -16.671 1.00 62.13 H new ATOM 0 HB2 GLU A 33 8.009 -10.642 -14.627 1.00 54.23 H new ATOM 0 HB3 GLU A 33 6.933 -9.272 -14.819 1.00 54.23 H new ATOM 0 HG2 GLU A 33 4.973 -10.776 -14.495 1.00 41.44 H new ATOM 0 HG3 GLU A 33 6.059 -12.134 -14.279 1.00 41.44 H new ATOM 546 N THR A 34 5.314 -8.915 -17.089 1.00 4.51 N ATOM 547 CA THR A 34 4.032 -8.373 -17.559 1.00 24.24 C ATOM 548 C THR A 34 3.925 -8.382 -19.093 1.00 71.43 C ATOM 549 O THR A 34 2.996 -8.963 -19.654 1.00 14.32 O ATOM 550 CB THR A 34 3.825 -6.924 -17.056 1.00 41.14 C ATOM 551 OG1 THR A 34 4.934 -6.105 -17.462 1.00 75.11 O ATOM 552 CG2 THR A 34 3.683 -6.881 -15.536 1.00 43.12 C ATOM 0 H THR A 34 6.000 -8.203 -16.838 1.00 4.51 H new ATOM 0 HA THR A 34 3.258 -9.023 -17.151 1.00 24.24 H new ATOM 0 HB THR A 34 2.904 -6.541 -17.496 1.00 41.14 H new ATOM 0 HG1 THR A 34 5.691 -6.258 -16.859 1.00 75.11 H new ATOM 0 HG21 THR A 34 3.539 -5.850 -15.213 1.00 43.12 H new ATOM 0 HG22 THR A 34 2.824 -7.479 -15.234 1.00 43.12 H new ATOM 0 HG23 THR A 34 4.585 -7.283 -15.075 1.00 43.12 H new ATOM 560 N THR A 35 4.883 -7.738 -19.762 1.00 0.02 N ATOM 561 CA THR A 35 4.854 -7.579 -21.229 1.00 31.12 C ATOM 562 C THR A 35 4.848 -8.929 -21.978 1.00 43.35 C ATOM 563 O THR A 35 4.150 -9.087 -22.982 1.00 5.32 O ATOM 564 CB THR A 35 6.053 -6.729 -21.726 1.00 54.35 C ATOM 565 OG1 THR A 35 6.073 -5.459 -21.054 1.00 12.24 O ATOM 566 CG2 THR A 35 5.988 -6.496 -23.233 1.00 53.42 C ATOM 0 H THR A 35 5.695 -7.314 -19.314 1.00 0.02 H new ATOM 0 HA THR A 35 3.919 -7.064 -21.452 1.00 31.12 H new ATOM 0 HB THR A 35 6.963 -7.284 -21.500 1.00 54.35 H new ATOM 0 HG1 THR A 35 6.556 -5.545 -20.205 1.00 12.24 H new ATOM 0 HG21 THR A 35 6.843 -5.897 -23.546 1.00 53.42 H new ATOM 0 HG22 THR A 35 6.008 -7.455 -23.751 1.00 53.42 H new ATOM 0 HG23 THR A 35 5.066 -5.969 -23.480 1.00 53.42 H new ATOM 574 N LYS A 36 5.635 -9.898 -21.505 1.00 53.12 N ATOM 575 CA LYS A 36 5.677 -11.232 -22.131 1.00 75.04 C ATOM 576 C LYS A 36 4.799 -12.249 -21.377 1.00 42.12 C ATOM 577 O LYS A 36 4.576 -13.364 -21.859 1.00 71.14 O ATOM 578 CB LYS A 36 7.126 -11.745 -22.208 1.00 30.33 C ATOM 579 CG LYS A 36 8.040 -10.966 -23.163 1.00 74.21 C ATOM 580 CD LYS A 36 7.703 -11.217 -24.641 1.00 13.32 C ATOM 581 CE LYS A 36 6.653 -10.250 -25.189 1.00 64.42 C ATOM 582 NZ LYS A 36 7.195 -8.874 -25.351 1.00 12.22 N ATOM 0 H LYS A 36 6.249 -9.791 -20.698 1.00 53.12 H new ATOM 0 HA LYS A 36 5.277 -11.129 -23.139 1.00 75.04 H new ATOM 0 HB2 LYS A 36 7.560 -11.715 -21.208 1.00 30.33 H new ATOM 0 HB3 LYS A 36 7.110 -12.790 -22.517 1.00 30.33 H new ATOM 0 HG2 LYS A 36 7.956 -9.900 -22.951 1.00 74.21 H new ATOM 0 HG3 LYS A 36 9.077 -11.247 -22.978 1.00 74.21 H new ATOM 0 HD2 LYS A 36 8.613 -11.131 -25.235 1.00 13.32 H new ATOM 0 HD3 LYS A 36 7.343 -12.239 -24.757 1.00 13.32 H new ATOM 0 HE2 LYS A 36 6.292 -10.613 -26.151 1.00 64.42 H new ATOM 0 HE3 LYS A 36 5.796 -10.225 -24.516 1.00 64.42 H new ATOM 0 HZ1 LYS A 36 6.443 -8.242 -25.692 1.00 12.22 H new ATOM 0 HZ2 LYS A 36 7.547 -8.530 -24.435 1.00 12.22 H new ATOM 0 HZ3 LYS A 36 7.975 -8.887 -26.039 1.00 12.22 H new ATOM 596 N PHE A 37 4.309 -11.855 -20.198 1.00 0.00 N ATOM 597 CA PHE A 37 3.458 -12.711 -19.360 1.00 44.01 C ATOM 598 C PHE A 37 4.128 -14.072 -19.081 1.00 71.41 C ATOM 599 O PHE A 37 3.702 -15.101 -19.605 1.00 21.34 O ATOM 600 CB PHE A 37 2.074 -12.893 -20.008 1.00 35.12 C ATOM 601 CG PHE A 37 0.941 -12.928 -19.013 1.00 61.01 C ATOM 602 CD1 PHE A 37 0.391 -11.746 -18.532 1.00 44.04 C ATOM 603 CD2 PHE A 37 0.429 -14.132 -18.556 1.00 71.11 C ATOM 604 CE1 PHE A 37 -0.645 -11.769 -17.618 1.00 4.25 C ATOM 605 CE2 PHE A 37 -0.607 -14.159 -17.642 1.00 73.52 C ATOM 606 CZ PHE A 37 -1.145 -12.977 -17.173 1.00 74.44 C ATOM 0 H PHE A 37 4.490 -10.935 -19.796 1.00 0.00 H new ATOM 0 HA PHE A 37 3.323 -12.215 -18.399 1.00 44.01 H new ATOM 0 HB2 PHE A 37 1.902 -12.079 -20.713 1.00 35.12 H new ATOM 0 HB3 PHE A 37 2.070 -13.819 -20.583 1.00 35.12 H new ATOM 0 HD1 PHE A 37 0.778 -10.798 -18.877 1.00 44.04 H new ATOM 0 HD2 PHE A 37 0.845 -15.060 -18.919 1.00 71.11 H new ATOM 0 HE1 PHE A 37 -1.063 -10.843 -17.252 1.00 4.25 H new ATOM 0 HE2 PHE A 37 -0.996 -15.105 -17.294 1.00 73.52 H new ATOM 0 HZ PHE A 37 -1.955 -12.997 -16.459 1.00 74.44 H new ATOM 616 N VAL A 38 5.200 -14.041 -18.268 1.00 71.20 N ATOM 617 CA VAL A 38 6.007 -15.234 -17.911 1.00 41.32 C ATOM 618 C VAL A 38 6.052 -16.311 -19.022 1.00 21.31 C ATOM 619 O VAL A 38 5.311 -17.297 -18.988 1.00 43.53 O ATOM 620 CB VAL A 38 5.549 -15.862 -16.560 1.00 22.14 C ATOM 621 CG1 VAL A 38 5.881 -14.928 -15.397 1.00 65.33 C ATOM 622 CG2 VAL A 38 4.054 -16.194 -16.567 1.00 12.20 C ATOM 0 H VAL A 38 5.538 -13.182 -17.834 1.00 71.20 H new ATOM 0 HA VAL A 38 7.025 -14.863 -17.796 1.00 41.32 H new ATOM 0 HB VAL A 38 6.094 -16.797 -16.431 1.00 22.14 H new ATOM 0 HG11 VAL A 38 5.554 -15.382 -14.461 1.00 65.33 H new ATOM 0 HG12 VAL A 38 6.957 -14.759 -15.362 1.00 65.33 H new ATOM 0 HG13 VAL A 38 5.368 -13.976 -15.537 1.00 65.33 H new ATOM 0 HG21 VAL A 38 3.774 -16.630 -15.608 1.00 12.20 H new ATOM 0 HG22 VAL A 38 3.480 -15.283 -16.733 1.00 12.20 H new ATOM 0 HG23 VAL A 38 3.843 -16.906 -17.365 1.00 12.20 H new ATOM 632 N THR A 39 6.940 -16.124 -20.004 1.00 71.40 N ATOM 633 CA THR A 39 6.976 -17.013 -21.181 1.00 40.25 C ATOM 634 C THR A 39 8.395 -17.241 -21.736 1.00 23.40 C ATOM 635 O THR A 39 8.885 -18.370 -21.763 1.00 13.21 O ATOM 636 CB THR A 39 6.090 -16.454 -22.331 1.00 23.43 C ATOM 637 OG1 THR A 39 4.731 -16.308 -21.889 1.00 15.40 O ATOM 638 CG2 THR A 39 6.129 -17.362 -23.561 1.00 63.04 C ATOM 0 H THR A 39 7.636 -15.378 -20.013 1.00 71.40 H new ATOM 0 HA THR A 39 6.592 -17.969 -20.826 1.00 40.25 H new ATOM 0 HB THR A 39 6.492 -15.480 -22.609 1.00 23.43 H new ATOM 0 HG1 THR A 39 4.553 -15.366 -21.684 1.00 15.40 H new ATOM 0 HG21 THR A 39 5.499 -16.941 -24.344 1.00 63.04 H new ATOM 0 HG22 THR A 39 7.154 -17.441 -23.923 1.00 63.04 H new ATOM 0 HG23 THR A 39 5.762 -18.353 -23.294 1.00 63.04 H new ATOM 646 N GLU A 40 9.052 -16.164 -22.168 1.00 72.14 N ATOM 647 CA GLU A 40 10.261 -16.269 -23.005 1.00 12.33 C ATOM 648 C GLU A 40 11.457 -16.985 -22.358 1.00 75.20 C ATOM 649 O GLU A 40 11.748 -16.854 -21.156 1.00 44.55 O ATOM 650 CB GLU A 40 10.691 -14.889 -23.519 1.00 43.03 C ATOM 651 CG GLU A 40 9.922 -14.453 -24.760 1.00 32.12 C ATOM 652 CD GLU A 40 9.977 -15.506 -25.859 1.00 53.43 C ATOM 653 OE1 GLU A 40 11.085 -15.804 -26.346 1.00 2.40 O ATOM 654 OE2 GLU A 40 8.919 -16.065 -26.212 1.00 15.53 O ATOM 0 H GLU A 40 8.772 -15.206 -21.955 1.00 72.14 H new ATOM 0 HA GLU A 40 9.959 -16.909 -23.834 1.00 12.33 H new ATOM 0 HB2 GLU A 40 10.546 -14.151 -22.730 1.00 43.03 H new ATOM 0 HB3 GLU A 40 11.757 -14.907 -23.746 1.00 43.03 H new ATOM 0 HG2 GLU A 40 8.883 -14.259 -24.494 1.00 32.12 H new ATOM 0 HG3 GLU A 40 10.336 -13.516 -25.133 1.00 32.12 H new ATOM 661 N ARG A 41 12.167 -17.723 -23.215 1.00 73.14 N ATOM 662 CA ARG A 41 13.357 -18.475 -22.824 1.00 32.43 C ATOM 663 C ARG A 41 14.433 -17.554 -22.233 1.00 25.31 C ATOM 664 O ARG A 41 15.022 -17.863 -21.208 1.00 33.05 O ATOM 665 CB ARG A 41 13.921 -19.264 -24.026 1.00 71.22 C ATOM 666 CG ARG A 41 14.744 -18.446 -25.031 1.00 41.00 C ATOM 667 CD ARG A 41 13.920 -17.406 -25.790 1.00 3.22 C ATOM 668 NE ARG A 41 12.986 -18.006 -26.741 1.00 33.01 N ATOM 669 CZ ARG A 41 13.309 -18.354 -27.959 1.00 42.41 C ATOM 670 NH1 ARG A 41 14.532 -18.250 -28.374 1.00 31.32 N ATOM 671 NH2 ARG A 41 12.404 -18.813 -28.760 1.00 60.43 N ATOM 0 H ARG A 41 11.930 -17.815 -24.203 1.00 73.14 H new ATOM 0 HA ARG A 41 13.062 -19.183 -22.049 1.00 32.43 H new ATOM 0 HB2 ARG A 41 14.545 -20.073 -23.646 1.00 71.22 H new ATOM 0 HB3 ARG A 41 13.089 -19.726 -24.557 1.00 71.22 H new ATOM 0 HG2 ARG A 41 15.552 -17.942 -24.502 1.00 41.00 H new ATOM 0 HG3 ARG A 41 15.207 -19.125 -25.747 1.00 41.00 H new ATOM 0 HD2 ARG A 41 13.364 -16.798 -25.076 1.00 3.22 H new ATOM 0 HD3 ARG A 41 14.593 -16.735 -26.323 1.00 3.22 H new ATOM 0 HE ARG A 41 12.025 -18.162 -26.436 1.00 33.01 H new ATOM 0 HH11 ARG A 41 15.254 -17.894 -27.748 1.00 31.32 H new ATOM 0 HH12 ARG A 41 14.772 -18.525 -29.326 1.00 31.32 H new ATOM 0 HH21 ARG A 41 11.439 -18.903 -28.441 1.00 60.43 H new ATOM 0 HH22 ARG A 41 12.655 -19.085 -29.711 1.00 60.43 H new ATOM 685 N GLU A 42 14.659 -16.399 -22.862 1.00 63.41 N ATOM 686 CA GLU A 42 15.656 -15.446 -22.371 1.00 11.24 C ATOM 687 C GLU A 42 15.140 -14.685 -21.147 1.00 22.12 C ATOM 688 O GLU A 42 15.811 -13.800 -20.625 1.00 21.51 O ATOM 689 CB GLU A 42 16.073 -14.465 -23.475 1.00 23.55 C ATOM 690 CG GLU A 42 16.882 -15.116 -24.592 1.00 30.02 C ATOM 691 CD GLU A 42 17.452 -14.104 -25.573 1.00 70.23 C ATOM 692 OE1 GLU A 42 18.437 -13.418 -25.223 1.00 3.32 O ATOM 693 OE2 GLU A 42 16.920 -13.984 -26.696 1.00 52.43 O ATOM 0 H GLU A 42 14.169 -16.102 -23.706 1.00 63.41 H new ATOM 0 HA GLU A 42 16.534 -16.017 -22.071 1.00 11.24 H new ATOM 0 HB2 GLU A 42 15.180 -14.009 -23.902 1.00 23.55 H new ATOM 0 HB3 GLU A 42 16.661 -13.661 -23.033 1.00 23.55 H new ATOM 0 HG2 GLU A 42 17.698 -15.692 -24.155 1.00 30.02 H new ATOM 0 HG3 GLU A 42 16.248 -15.820 -25.131 1.00 30.02 H new ATOM 700 N TYR A 43 13.940 -15.027 -20.692 1.00 23.32 N ATOM 701 CA TYR A 43 13.425 -14.475 -19.446 1.00 52.43 C ATOM 702 C TYR A 43 13.834 -15.363 -18.263 1.00 14.02 C ATOM 703 O TYR A 43 14.366 -14.872 -17.273 1.00 4.40 O ATOM 704 CB TYR A 43 11.900 -14.311 -19.506 1.00 44.41 C ATOM 705 CG TYR A 43 11.310 -13.620 -18.289 1.00 65.40 C ATOM 706 CD1 TYR A 43 12.031 -12.648 -17.601 1.00 34.22 C ATOM 707 CD2 TYR A 43 10.035 -13.936 -17.829 1.00 74.23 C ATOM 708 CE1 TYR A 43 11.505 -12.017 -16.494 1.00 61.41 C ATOM 709 CE2 TYR A 43 9.501 -13.304 -16.721 1.00 23.21 C ATOM 710 CZ TYR A 43 10.242 -12.346 -16.057 1.00 21.34 C ATOM 711 OH TYR A 43 9.721 -11.715 -14.953 1.00 51.10 O ATOM 0 H TYR A 43 13.311 -15.678 -21.162 1.00 23.32 H new ATOM 0 HA TYR A 43 13.859 -13.486 -19.302 1.00 52.43 H new ATOM 0 HB2 TYR A 43 11.640 -13.741 -20.398 1.00 44.41 H new ATOM 0 HB3 TYR A 43 11.442 -15.294 -19.612 1.00 44.41 H new ATOM 0 HD1 TYR A 43 13.021 -12.383 -17.941 1.00 34.22 H new ATOM 0 HD2 TYR A 43 9.454 -14.686 -18.345 1.00 74.23 H new ATOM 0 HE1 TYR A 43 12.081 -11.268 -15.972 1.00 61.41 H new ATOM 0 HE2 TYR A 43 8.509 -13.558 -16.377 1.00 23.21 H new ATOM 0 HH TYR A 43 9.964 -10.766 -14.973 1.00 51.10 H new ATOM 721 N TYR A 44 13.609 -16.675 -18.368 1.00 12.50 N ATOM 722 CA TYR A 44 13.999 -17.588 -17.273 1.00 52.12 C ATOM 723 C TYR A 44 15.411 -18.190 -17.454 1.00 33.12 C ATOM 724 O TYR A 44 16.089 -18.479 -16.470 1.00 21.13 O ATOM 725 CB TYR A 44 12.951 -18.696 -17.056 1.00 14.54 C ATOM 726 CG TYR A 44 12.610 -19.541 -18.273 1.00 61.54 C ATOM 727 CD1 TYR A 44 13.306 -20.714 -18.557 1.00 61.14 C ATOM 728 CD2 TYR A 44 11.566 -19.183 -19.121 1.00 1.35 C ATOM 729 CE1 TYR A 44 12.974 -21.497 -19.649 1.00 53.34 C ATOM 730 CE2 TYR A 44 11.233 -19.959 -20.214 1.00 34.23 C ATOM 731 CZ TYR A 44 11.937 -21.115 -20.473 1.00 31.14 C ATOM 732 OH TYR A 44 11.597 -21.891 -21.559 1.00 2.13 O ATOM 0 H TYR A 44 13.172 -17.126 -19.172 1.00 12.50 H new ATOM 0 HA TYR A 44 14.037 -16.973 -16.374 1.00 52.12 H new ATOM 0 HB2 TYR A 44 13.310 -19.358 -16.268 1.00 14.54 H new ATOM 0 HB3 TYR A 44 12.034 -18.234 -16.691 1.00 14.54 H new ATOM 0 HD1 TYR A 44 14.119 -21.018 -17.914 1.00 61.14 H new ATOM 0 HD2 TYR A 44 11.006 -18.282 -18.921 1.00 1.35 H new ATOM 0 HE1 TYR A 44 13.525 -22.403 -19.855 1.00 53.34 H new ATOM 0 HE2 TYR A 44 10.423 -19.661 -20.864 1.00 34.23 H new ATOM 0 HH TYR A 44 10.845 -21.479 -22.033 1.00 2.13 H new ATOM 742 N GLU A 45 15.860 -18.363 -18.698 1.00 51.43 N ATOM 743 CA GLU A 45 17.214 -18.895 -18.973 1.00 13.53 C ATOM 744 C GLU A 45 18.259 -17.771 -19.119 1.00 43.11 C ATOM 745 O GLU A 45 19.345 -17.990 -19.664 1.00 3.40 O ATOM 746 CB GLU A 45 17.213 -19.756 -20.251 1.00 23.14 C ATOM 747 CG GLU A 45 16.401 -21.042 -20.144 1.00 60.45 C ATOM 748 CD GLU A 45 16.421 -21.864 -21.427 1.00 54.23 C ATOM 749 OE1 GLU A 45 17.395 -22.614 -21.645 1.00 61.52 O ATOM 750 OE2 GLU A 45 15.465 -21.759 -22.226 1.00 64.30 O ATOM 0 H GLU A 45 15.316 -18.147 -19.533 1.00 51.43 H new ATOM 0 HA GLU A 45 17.489 -19.510 -18.116 1.00 13.53 H new ATOM 0 HB2 GLU A 45 16.820 -19.160 -21.075 1.00 23.14 H new ATOM 0 HB3 GLU A 45 18.242 -20.011 -20.504 1.00 23.14 H new ATOM 0 HG2 GLU A 45 16.792 -21.646 -19.325 1.00 60.45 H new ATOM 0 HG3 GLU A 45 15.370 -20.795 -19.893 1.00 60.45 H new ATOM 757 N ASP A 46 17.935 -16.577 -18.621 1.00 52.13 N ATOM 758 CA ASP A 46 18.851 -15.430 -18.693 1.00 4.13 C ATOM 759 C ASP A 46 18.654 -14.497 -17.479 1.00 73.34 C ATOM 760 O ASP A 46 19.533 -14.388 -16.620 1.00 33.02 O ATOM 761 CB ASP A 46 18.631 -14.676 -20.011 1.00 54.41 C ATOM 762 CG ASP A 46 19.657 -13.583 -20.254 1.00 45.44 C ATOM 763 OD1 ASP A 46 19.422 -12.434 -19.832 1.00 60.43 O ATOM 764 OD2 ASP A 46 20.697 -13.864 -20.884 1.00 20.24 O ATOM 0 H ASP A 46 17.046 -16.376 -18.163 1.00 52.13 H new ATOM 0 HA ASP A 46 19.879 -15.792 -18.666 1.00 4.13 H new ATOM 0 HB2 ASP A 46 18.663 -15.386 -20.838 1.00 54.41 H new ATOM 0 HB3 ASP A 46 17.634 -14.235 -20.008 1.00 54.41 H new ATOM 769 N PHE A 47 17.497 -13.826 -17.409 1.00 31.43 N ATOM 770 CA PHE A 47 17.143 -13.017 -16.228 1.00 31.31 C ATOM 771 C PHE A 47 16.955 -13.909 -14.988 1.00 65.35 C ATOM 772 O PHE A 47 17.539 -13.661 -13.929 1.00 41.43 O ATOM 773 CB PHE A 47 15.854 -12.209 -16.475 1.00 52.45 C ATOM 774 CG PHE A 47 15.991 -11.106 -17.499 1.00 61.33 C ATOM 775 CD1 PHE A 47 15.774 -11.357 -18.846 1.00 72.43 C ATOM 776 CD2 PHE A 47 16.324 -9.815 -17.108 1.00 64.24 C ATOM 777 CE1 PHE A 47 15.889 -10.346 -19.782 1.00 21.50 C ATOM 778 CE2 PHE A 47 16.437 -8.801 -18.040 1.00 14.14 C ATOM 779 CZ PHE A 47 16.220 -9.067 -19.378 1.00 12.32 C ATOM 0 H PHE A 47 16.793 -13.825 -18.148 1.00 31.43 H new ATOM 0 HA PHE A 47 17.966 -12.325 -16.050 1.00 31.31 H new ATOM 0 HB2 PHE A 47 15.069 -12.892 -16.799 1.00 52.45 H new ATOM 0 HB3 PHE A 47 15.528 -11.772 -15.531 1.00 52.45 H new ATOM 0 HD1 PHE A 47 15.512 -12.354 -19.167 1.00 72.43 H new ATOM 0 HD2 PHE A 47 16.497 -9.601 -16.063 1.00 64.24 H new ATOM 0 HE1 PHE A 47 15.720 -10.556 -20.828 1.00 21.50 H new ATOM 0 HE2 PHE A 47 16.695 -7.801 -17.723 1.00 14.14 H new ATOM 0 HZ PHE A 47 16.309 -8.276 -20.108 1.00 12.32 H new ATOM 789 N GLY A 48 16.128 -14.943 -15.134 1.00 50.20 N ATOM 790 CA GLY A 48 15.849 -15.864 -14.037 1.00 10.43 C ATOM 791 C GLY A 48 14.416 -15.754 -13.525 1.00 23.24 C ATOM 792 O GLY A 48 13.480 -16.194 -14.188 1.00 22.35 O ATOM 0 H GLY A 48 15.640 -15.163 -16.002 1.00 50.20 H new ATOM 0 HA2 GLY A 48 16.034 -16.885 -14.370 1.00 10.43 H new ATOM 0 HA3 GLY A 48 16.539 -15.666 -13.217 1.00 10.43 H new ATOM 1115 N PRO A 71 -3.015 -17.416 -3.098 1.00 54.30 N ATOM 1116 CA PRO A 71 -3.341 -18.343 -4.209 1.00 4.32 C ATOM 1117 C PRO A 71 -4.459 -17.814 -5.131 1.00 22.54 C ATOM 1118 O PRO A 71 -4.739 -18.385 -6.187 1.00 25.21 O ATOM 1119 CB PRO A 71 -3.791 -19.627 -3.486 1.00 22.22 C ATOM 1120 CG PRO A 71 -4.117 -19.195 -2.092 1.00 45.43 C ATOM 1121 CD PRO A 71 -3.171 -18.067 -1.785 1.00 54.33 C ATOM 0 HA PRO A 71 -2.489 -18.487 -4.873 1.00 4.32 H new ATOM 0 HB2 PRO A 71 -4.659 -20.071 -3.974 1.00 22.22 H new ATOM 0 HB3 PRO A 71 -3.002 -20.379 -3.491 1.00 22.22 H new ATOM 0 HG2 PRO A 71 -5.154 -18.868 -2.016 1.00 45.43 H new ATOM 0 HG3 PRO A 71 -3.989 -20.017 -1.387 1.00 45.43 H new ATOM 0 HD2 PRO A 71 -3.581 -17.385 -1.040 1.00 54.33 H new ATOM 0 HD3 PRO A 71 -2.219 -18.430 -1.396 1.00 54.33 H new ATOM 1129 N LYS A 72 -5.082 -16.714 -4.720 1.00 24.15 N ATOM 1130 CA LYS A 72 -6.144 -16.062 -5.490 1.00 61.22 C ATOM 1131 C LYS A 72 -5.649 -15.594 -6.872 1.00 61.30 C ATOM 1132 O LYS A 72 -6.444 -15.387 -7.793 1.00 34.51 O ATOM 1133 CB LYS A 72 -6.681 -14.872 -4.684 1.00 22.11 C ATOM 1134 CG LYS A 72 -7.099 -15.256 -3.267 1.00 53.34 C ATOM 1135 CD LYS A 72 -7.431 -14.039 -2.405 1.00 44.43 C ATOM 1136 CE LYS A 72 -7.688 -14.440 -0.955 1.00 5.54 C ATOM 1137 NZ LYS A 72 -7.982 -13.271 -0.084 1.00 75.13 N ATOM 0 H LYS A 72 -4.866 -16.245 -3.840 1.00 24.15 H new ATOM 0 HA LYS A 72 -6.939 -16.786 -5.666 1.00 61.22 H new ATOM 0 HB2 LYS A 72 -5.915 -14.098 -4.635 1.00 22.11 H new ATOM 0 HB3 LYS A 72 -7.536 -14.442 -5.206 1.00 22.11 H new ATOM 0 HG2 LYS A 72 -7.968 -15.912 -3.313 1.00 53.34 H new ATOM 0 HG3 LYS A 72 -6.296 -15.823 -2.796 1.00 53.34 H new ATOM 0 HD2 LYS A 72 -6.608 -13.326 -2.447 1.00 44.43 H new ATOM 0 HD3 LYS A 72 -8.310 -13.535 -2.807 1.00 44.43 H new ATOM 0 HE2 LYS A 72 -8.525 -15.137 -0.917 1.00 5.54 H new ATOM 0 HE3 LYS A 72 -6.816 -14.968 -0.567 1.00 5.54 H new ATOM 0 HZ1 LYS A 72 -7.752 -13.506 0.902 1.00 75.13 H new ATOM 0 HZ2 LYS A 72 -7.409 -12.458 -0.389 1.00 75.13 H new ATOM 0 HZ3 LYS A 72 -8.991 -13.030 -0.156 1.00 75.13 H new ATOM 1151 N LEU A 73 -4.331 -15.437 -7.019 1.00 1.03 N ATOM 1152 CA LEU A 73 -3.732 -15.026 -8.300 1.00 24.52 C ATOM 1153 C LEU A 73 -3.540 -16.217 -9.262 1.00 35.31 C ATOM 1154 O LEU A 73 -2.850 -16.096 -10.272 1.00 34.35 O ATOM 1155 CB LEU A 73 -2.390 -14.295 -8.056 1.00 51.21 C ATOM 1156 CG LEU A 73 -1.341 -15.031 -7.188 1.00 34.41 C ATOM 1157 CD1 LEU A 73 -0.687 -16.191 -7.937 1.00 51.14 C ATOM 1158 CD2 LEU A 73 -0.278 -14.054 -6.690 1.00 65.41 C ATOM 0 H LEU A 73 -3.655 -15.587 -6.270 1.00 1.03 H new ATOM 0 HA LEU A 73 -4.428 -14.338 -8.781 1.00 24.52 H new ATOM 0 HB2 LEU A 73 -1.939 -14.081 -9.025 1.00 51.21 H new ATOM 0 HB3 LEU A 73 -2.607 -13.336 -7.586 1.00 51.21 H new ATOM 0 HG LEU A 73 -1.868 -15.452 -6.332 1.00 34.41 H new ATOM 0 HD11 LEU A 73 0.042 -16.678 -7.289 1.00 51.14 H new ATOM 0 HD12 LEU A 73 -1.451 -16.912 -8.230 1.00 51.14 H new ATOM 0 HD13 LEU A 73 -0.185 -15.812 -8.827 1.00 51.14 H new ATOM 0 HD21 LEU A 73 0.451 -14.589 -6.081 1.00 65.41 H new ATOM 0 HD22 LEU A 73 0.225 -13.598 -7.543 1.00 65.41 H new ATOM 0 HD23 LEU A 73 -0.751 -13.277 -6.090 1.00 65.41 H new ATOM 1170 N LEU A 74 -4.168 -17.357 -8.947 1.00 64.32 N ATOM 1171 CA LEU A 74 -4.034 -18.579 -9.760 1.00 10.25 C ATOM 1172 C LEU A 74 -4.411 -18.307 -11.233 1.00 51.33 C ATOM 1173 O LEU A 74 -5.573 -18.037 -11.552 1.00 53.10 O ATOM 1174 CB LEU A 74 -4.902 -19.707 -9.165 1.00 12.44 C ATOM 1175 CG LEU A 74 -4.488 -21.151 -9.533 1.00 71.24 C ATOM 1176 CD1 LEU A 74 -5.216 -22.158 -8.647 1.00 41.41 C ATOM 1177 CD2 LEU A 74 -4.755 -21.457 -11.007 1.00 42.34 C ATOM 0 H LEU A 74 -4.775 -17.462 -8.134 1.00 64.32 H new ATOM 0 HA LEU A 74 -2.992 -18.897 -9.741 1.00 10.25 H new ATOM 0 HB2 LEU A 74 -4.890 -19.613 -8.079 1.00 12.44 H new ATOM 0 HB3 LEU A 74 -5.932 -19.553 -9.487 1.00 12.44 H new ATOM 0 HG LEU A 74 -3.415 -21.237 -9.363 1.00 71.24 H new ATOM 0 HD11 LEU A 74 -4.913 -23.169 -8.920 1.00 41.41 H new ATOM 0 HD12 LEU A 74 -4.964 -21.973 -7.603 1.00 41.41 H new ATOM 0 HD13 LEU A 74 -6.292 -22.053 -8.785 1.00 41.41 H new ATOM 0 HD21 LEU A 74 -4.451 -22.480 -11.227 1.00 42.34 H new ATOM 0 HD22 LEU A 74 -5.819 -21.341 -11.216 1.00 42.34 H new ATOM 0 HD23 LEU A 74 -4.186 -20.768 -11.631 1.00 42.34 H new ATOM 1189 N PRO A 75 -3.421 -18.375 -12.145 1.00 1.22 N ATOM 1190 CA PRO A 75 -3.596 -18.004 -13.555 1.00 21.44 C ATOM 1191 C PRO A 75 -4.086 -19.151 -14.470 1.00 12.33 C ATOM 1192 O PRO A 75 -4.756 -20.086 -14.028 1.00 14.30 O ATOM 1193 CB PRO A 75 -2.181 -17.558 -13.932 1.00 21.33 C ATOM 1194 CG PRO A 75 -1.281 -18.443 -13.133 1.00 42.55 C ATOM 1195 CD PRO A 75 -2.033 -18.805 -11.870 1.00 53.14 C ATOM 0 HA PRO A 75 -4.374 -17.252 -13.686 1.00 21.44 H new ATOM 0 HB2 PRO A 75 -2.001 -17.671 -15.001 1.00 21.33 H new ATOM 0 HB3 PRO A 75 -2.019 -16.507 -13.691 1.00 21.33 H new ATOM 0 HG2 PRO A 75 -1.019 -19.338 -13.697 1.00 42.55 H new ATOM 0 HG3 PRO A 75 -0.348 -17.932 -12.895 1.00 42.55 H new ATOM 0 HD2 PRO A 75 -1.979 -19.874 -11.666 1.00 53.14 H new ATOM 0 HD3 PRO A 75 -1.622 -18.293 -11.000 1.00 53.14 H new ATOM 1203 N TYR A 76 -3.763 -19.033 -15.763 1.00 65.22 N ATOM 1204 CA TYR A 76 -4.243 -19.958 -16.803 1.00 44.24 C ATOM 1205 C TYR A 76 -3.592 -21.366 -16.700 1.00 22.20 C ATOM 1206 O TYR A 76 -3.093 -21.755 -15.643 1.00 30.34 O ATOM 1207 CB TYR A 76 -3.974 -19.320 -18.182 1.00 20.44 C ATOM 1208 CG TYR A 76 -4.875 -19.816 -19.303 1.00 42.44 C ATOM 1209 CD1 TYR A 76 -6.245 -19.961 -19.105 1.00 74.14 C ATOM 1210 CD2 TYR A 76 -4.359 -20.121 -20.559 1.00 34.30 C ATOM 1211 CE1 TYR A 76 -7.070 -20.399 -20.121 1.00 33.53 C ATOM 1212 CE2 TYR A 76 -5.180 -20.560 -21.579 1.00 13.11 C ATOM 1213 CZ TYR A 76 -6.534 -20.697 -21.355 1.00 50.41 C ATOM 1214 OH TYR A 76 -7.354 -21.135 -22.369 1.00 53.42 O ATOM 0 H TYR A 76 -3.160 -18.292 -16.121 1.00 65.22 H new ATOM 0 HA TYR A 76 -5.312 -20.116 -16.662 1.00 44.24 H new ATOM 0 HB2 TYR A 76 -4.088 -18.239 -18.095 1.00 20.44 H new ATOM 0 HB3 TYR A 76 -2.937 -19.510 -18.458 1.00 20.44 H new ATOM 0 HD1 TYR A 76 -6.670 -19.727 -18.140 1.00 74.14 H new ATOM 0 HD2 TYR A 76 -3.300 -20.013 -20.739 1.00 34.30 H new ATOM 0 HE1 TYR A 76 -8.131 -20.508 -19.950 1.00 33.53 H new ATOM 0 HE2 TYR A 76 -4.764 -20.795 -22.547 1.00 13.11 H new ATOM 0 HH TYR A 76 -6.820 -21.300 -23.174 1.00 53.42 H new ATOM 1224 N ASP A 77 -3.637 -22.125 -17.805 1.00 34.13 N ATOM 1225 CA ASP A 77 -3.174 -23.525 -17.862 1.00 40.42 C ATOM 1226 C ASP A 77 -1.820 -23.808 -17.178 1.00 11.50 C ATOM 1227 O ASP A 77 -1.035 -22.911 -16.861 1.00 3.03 O ATOM 1228 CB ASP A 77 -3.096 -23.984 -19.323 1.00 74.23 C ATOM 1229 CG ASP A 77 -4.457 -24.306 -19.902 1.00 55.14 C ATOM 1230 OD1 ASP A 77 -5.260 -23.377 -20.099 1.00 3.31 O ATOM 1231 OD2 ASP A 77 -4.733 -25.499 -20.152 1.00 71.25 O ATOM 0 H ASP A 77 -3.999 -21.783 -18.695 1.00 34.13 H new ATOM 0 HA ASP A 77 -3.915 -24.087 -17.294 1.00 40.42 H new ATOM 0 HB2 ASP A 77 -2.625 -23.204 -19.921 1.00 74.23 H new ATOM 0 HB3 ASP A 77 -2.458 -24.865 -19.390 1.00 74.23 H new ATOM 1236 N LYS A 78 -1.564 -25.109 -17.020 1.00 65.52 N ATOM 1237 CA LYS A 78 -0.397 -25.649 -16.308 1.00 10.23 C ATOM 1238 C LYS A 78 0.931 -24.940 -16.641 1.00 21.05 C ATOM 1239 O LYS A 78 1.730 -24.683 -15.744 1.00 74.43 O ATOM 1240 CB LYS A 78 -0.264 -27.162 -16.587 1.00 12.15 C ATOM 1241 CG LYS A 78 0.115 -27.533 -18.028 1.00 41.55 C ATOM 1242 CD LYS A 78 -0.969 -27.172 -19.047 1.00 70.03 C ATOM 1243 CE LYS A 78 -2.272 -27.931 -18.806 1.00 51.23 C ATOM 1244 NZ LYS A 78 -2.111 -29.402 -18.980 1.00 3.42 N ATOM 0 H LYS A 78 -2.176 -25.836 -17.392 1.00 65.52 H new ATOM 0 HA LYS A 78 -0.581 -25.466 -15.249 1.00 10.23 H new ATOM 0 HB2 LYS A 78 0.488 -27.574 -15.914 1.00 12.15 H new ATOM 0 HB3 LYS A 78 -1.210 -27.644 -16.342 1.00 12.15 H new ATOM 0 HG2 LYS A 78 1.041 -27.024 -18.296 1.00 41.55 H new ATOM 0 HG3 LYS A 78 0.313 -28.604 -18.081 1.00 41.55 H new ATOM 0 HD2 LYS A 78 -1.163 -26.100 -19.003 1.00 70.03 H new ATOM 0 HD3 LYS A 78 -0.606 -27.389 -20.052 1.00 70.03 H new ATOM 0 HE2 LYS A 78 -2.629 -27.724 -17.797 1.00 51.23 H new ATOM 0 HE3 LYS A 78 -3.034 -27.567 -19.495 1.00 51.23 H new ATOM 0 HZ1 LYS A 78 -3.044 -29.860 -18.941 1.00 3.42 H new ATOM 0 HZ2 LYS A 78 -1.668 -29.596 -19.901 1.00 3.42 H new ATOM 0 HZ3 LYS A 78 -1.508 -29.778 -18.220 1.00 3.42 H new ATOM 1258 N ARG A 79 1.177 -24.630 -17.916 1.00 21.44 N ATOM 1259 CA ARG A 79 2.446 -23.999 -18.313 1.00 44.34 C ATOM 1260 C ARG A 79 2.534 -22.552 -17.813 1.00 14.13 C ATOM 1261 O ARG A 79 3.525 -22.159 -17.189 1.00 41.22 O ATOM 1262 CB ARG A 79 2.637 -24.056 -19.837 1.00 73.24 C ATOM 1263 CG ARG A 79 2.818 -25.473 -20.370 1.00 2.34 C ATOM 1264 CD ARG A 79 3.173 -25.494 -21.854 1.00 43.01 C ATOM 1265 NE ARG A 79 3.470 -26.848 -22.321 1.00 22.20 N ATOM 1266 CZ ARG A 79 4.112 -27.124 -23.424 1.00 30.14 C ATOM 1267 NH1 ARG A 79 4.550 -26.176 -24.191 1.00 45.22 N ATOM 1268 NH2 ARG A 79 4.333 -28.354 -23.755 1.00 45.33 N ATOM 0 H ARG A 79 0.528 -24.801 -18.684 1.00 21.44 H new ATOM 0 HA ARG A 79 3.252 -24.565 -17.845 1.00 44.34 H new ATOM 0 HB2 ARG A 79 1.773 -23.601 -20.322 1.00 73.24 H new ATOM 0 HB3 ARG A 79 3.507 -23.459 -20.110 1.00 73.24 H new ATOM 0 HG2 ARG A 79 3.603 -25.974 -19.804 1.00 2.34 H new ATOM 0 HG3 ARG A 79 1.900 -26.039 -20.211 1.00 2.34 H new ATOM 0 HD2 ARG A 79 2.345 -25.083 -22.432 1.00 43.01 H new ATOM 0 HD3 ARG A 79 4.035 -24.851 -22.031 1.00 43.01 H new ATOM 0 HE ARG A 79 3.154 -27.629 -21.746 1.00 22.20 H new ATOM 0 HH11 ARG A 79 4.395 -25.201 -23.936 1.00 45.22 H new ATOM 0 HH12 ARG A 79 5.050 -26.405 -25.050 1.00 45.22 H new ATOM 0 HH21 ARG A 79 4.006 -29.111 -23.154 1.00 45.33 H new ATOM 0 HH22 ARG A 79 4.835 -28.568 -24.617 1.00 45.33 H new ATOM 1282 N LEU A 80 1.500 -21.765 -18.084 1.00 45.23 N ATOM 1283 CA LEU A 80 1.427 -20.384 -17.598 1.00 72.34 C ATOM 1284 C LEU A 80 1.539 -20.356 -16.061 1.00 1.20 C ATOM 1285 O LEU A 80 2.352 -19.619 -15.494 1.00 71.42 O ATOM 1286 CB LEU A 80 0.104 -19.741 -18.066 1.00 32.42 C ATOM 1287 CG LEU A 80 0.061 -18.196 -18.118 1.00 14.22 C ATOM 1288 CD1 LEU A 80 0.171 -17.577 -16.727 1.00 1.13 C ATOM 1289 CD2 LEU A 80 1.162 -17.661 -19.030 1.00 12.04 C ATOM 0 H LEU A 80 0.696 -22.057 -18.639 1.00 45.23 H new ATOM 0 HA LEU A 80 2.258 -19.810 -18.008 1.00 72.34 H new ATOM 0 HB2 LEU A 80 -0.125 -20.121 -19.062 1.00 32.42 H new ATOM 0 HB3 LEU A 80 -0.692 -20.081 -17.404 1.00 32.42 H new ATOM 0 HG LEU A 80 -0.908 -17.909 -18.528 1.00 14.22 H new ATOM 0 HD11 LEU A 80 0.137 -16.491 -16.808 1.00 1.13 H new ATOM 0 HD12 LEU A 80 -0.658 -17.921 -16.109 1.00 1.13 H new ATOM 0 HD13 LEU A 80 1.113 -17.877 -16.269 1.00 1.13 H new ATOM 0 HD21 LEU A 80 1.117 -16.572 -19.055 1.00 12.04 H new ATOM 0 HD22 LEU A 80 2.134 -17.975 -18.650 1.00 12.04 H new ATOM 0 HD23 LEU A 80 1.022 -18.053 -20.037 1.00 12.04 H new ATOM 1301 N ALA A 81 0.726 -21.180 -15.400 1.00 4.01 N ATOM 1302 CA ALA A 81 0.734 -21.286 -13.938 1.00 11.43 C ATOM 1303 C ALA A 81 2.113 -21.704 -13.400 1.00 13.40 C ATOM 1304 O ALA A 81 2.627 -21.104 -12.455 1.00 62.40 O ATOM 1305 CB ALA A 81 -0.337 -22.272 -13.484 1.00 73.34 C ATOM 0 H ALA A 81 0.048 -21.789 -15.857 1.00 4.01 H new ATOM 0 HA ALA A 81 0.514 -20.299 -13.530 1.00 11.43 H new ATOM 0 HB1 ALA A 81 -0.326 -22.346 -12.397 1.00 73.34 H new ATOM 0 HB2 ALA A 81 -1.316 -21.924 -13.814 1.00 73.34 H new ATOM 0 HB3 ALA A 81 -0.136 -23.252 -13.917 1.00 73.34 H new ATOM 1311 N TRP A 82 2.704 -22.728 -14.014 1.00 65.35 N ATOM 1312 CA TRP A 82 4.025 -23.230 -13.609 1.00 2.13 C ATOM 1313 C TRP A 82 5.085 -22.120 -13.626 1.00 14.11 C ATOM 1314 O TRP A 82 5.823 -21.943 -12.657 1.00 71.43 O ATOM 1315 CB TRP A 82 4.456 -24.389 -14.524 1.00 0.54 C ATOM 1316 CG TRP A 82 5.879 -24.838 -14.322 1.00 72.31 C ATOM 1317 CD1 TRP A 82 6.845 -24.960 -15.282 1.00 42.42 C ATOM 1318 CD2 TRP A 82 6.498 -25.212 -13.084 1.00 23.44 C ATOM 1319 NE1 TRP A 82 8.019 -25.392 -14.719 1.00 40.41 N ATOM 1320 CE2 TRP A 82 7.834 -25.552 -13.373 1.00 3.30 C ATOM 1321 CE3 TRP A 82 6.054 -25.293 -11.761 1.00 42.33 C ATOM 1322 CZ2 TRP A 82 8.726 -25.964 -12.390 1.00 73.33 C ATOM 1323 CZ3 TRP A 82 6.941 -25.700 -10.785 1.00 34.04 C ATOM 1324 CH2 TRP A 82 8.265 -26.030 -11.104 1.00 12.21 C ATOM 0 H TRP A 82 2.290 -23.231 -14.798 1.00 65.35 H new ATOM 0 HA TRP A 82 3.941 -23.592 -12.584 1.00 2.13 H new ATOM 0 HB2 TRP A 82 3.792 -25.237 -14.355 1.00 0.54 H new ATOM 0 HB3 TRP A 82 4.327 -24.085 -15.563 1.00 0.54 H new ATOM 0 HD1 TRP A 82 6.704 -24.747 -16.331 1.00 42.42 H new ATOM 0 HE1 TRP A 82 8.889 -25.566 -15.222 1.00 40.41 H new ATOM 0 HE3 TRP A 82 5.035 -25.042 -11.507 1.00 42.33 H new ATOM 0 HZ2 TRP A 82 9.746 -26.223 -12.633 1.00 73.33 H new ATOM 0 HZ3 TRP A 82 6.609 -25.765 -9.759 1.00 34.04 H new ATOM 0 HH2 TRP A 82 8.936 -26.343 -10.318 1.00 12.21 H new ATOM 1335 N HIS A 83 5.153 -21.373 -14.726 1.00 4.04 N ATOM 1336 CA HIS A 83 6.134 -20.292 -14.857 1.00 74.44 C ATOM 1337 C HIS A 83 5.963 -19.229 -13.754 1.00 40.21 C ATOM 1338 O HIS A 83 6.889 -18.969 -12.996 1.00 5.21 O ATOM 1339 CB HIS A 83 6.050 -19.646 -16.248 1.00 2.21 C ATOM 1340 CG HIS A 83 6.594 -20.513 -17.349 1.00 43.12 C ATOM 1341 ND1 HIS A 83 5.800 -21.254 -18.198 1.00 62.05 N ATOM 1342 CD2 HIS A 83 7.870 -20.756 -17.738 1.00 53.42 C ATOM 1343 CE1 HIS A 83 6.558 -21.916 -19.049 1.00 64.53 C ATOM 1344 NE2 HIS A 83 7.814 -21.630 -18.795 1.00 61.11 N ATOM 0 H HIS A 83 4.545 -21.493 -15.536 1.00 4.04 H new ATOM 0 HA HIS A 83 7.123 -20.734 -14.738 1.00 74.44 H new ATOM 0 HB2 HIS A 83 5.009 -19.407 -16.466 1.00 2.21 H new ATOM 0 HB3 HIS A 83 6.597 -18.704 -16.235 1.00 2.21 H new ATOM 0 HD1 HIS A 83 4.781 -21.285 -18.172 1.00 62.05 H new ATOM 0 HD2 HIS A 83 8.764 -20.339 -17.298 1.00 53.42 H new ATOM 0 HE1 HIS A 83 6.206 -22.581 -19.824 1.00 64.53 H new ATOM 1353 N PHE A 84 4.774 -18.637 -13.654 1.00 5.13 N ATOM 1354 CA PHE A 84 4.518 -17.577 -12.663 1.00 52.11 C ATOM 1355 C PHE A 84 4.774 -18.078 -11.222 1.00 3.45 C ATOM 1356 O PHE A 84 5.490 -17.440 -10.437 1.00 54.45 O ATOM 1357 CB PHE A 84 3.071 -17.075 -12.805 1.00 72.44 C ATOM 1358 CG PHE A 84 2.823 -15.723 -12.179 1.00 32.41 C ATOM 1359 CD1 PHE A 84 3.060 -14.561 -12.902 1.00 53.15 C ATOM 1360 CD2 PHE A 84 2.351 -15.611 -10.877 1.00 32.20 C ATOM 1361 CE1 PHE A 84 2.834 -13.319 -12.342 1.00 53.02 C ATOM 1362 CE2 PHE A 84 2.123 -14.369 -10.313 1.00 32.24 C ATOM 1363 CZ PHE A 84 2.364 -13.222 -11.046 1.00 64.11 C ATOM 0 H PHE A 84 3.972 -18.867 -14.241 1.00 5.13 H new ATOM 0 HA PHE A 84 5.208 -16.755 -12.854 1.00 52.11 H new ATOM 0 HB2 PHE A 84 2.817 -17.025 -13.864 1.00 72.44 H new ATOM 0 HB3 PHE A 84 2.399 -17.803 -12.350 1.00 72.44 H new ATOM 0 HD1 PHE A 84 3.426 -14.630 -13.916 1.00 53.15 H new ATOM 0 HD2 PHE A 84 2.160 -16.503 -10.299 1.00 32.20 H new ATOM 0 HE1 PHE A 84 3.024 -12.424 -12.916 1.00 53.02 H new ATOM 0 HE2 PHE A 84 1.757 -14.295 -9.300 1.00 32.24 H new ATOM 0 HZ PHE A 84 2.185 -12.252 -10.607 1.00 64.11 H new ATOM 1373 N LYS A 85 4.196 -19.235 -10.895 1.00 12.35 N ATOM 1374 CA LYS A 85 4.342 -19.836 -9.565 1.00 52.33 C ATOM 1375 C LYS A 85 5.819 -20.038 -9.191 1.00 5.12 C ATOM 1376 O LYS A 85 6.269 -19.552 -8.157 1.00 13.42 O ATOM 1377 CB LYS A 85 3.596 -21.182 -9.508 1.00 1.12 C ATOM 1378 CG LYS A 85 3.610 -21.849 -8.134 1.00 50.21 C ATOM 1379 CD LYS A 85 2.879 -21.011 -7.083 1.00 35.43 C ATOM 1380 CE LYS A 85 2.877 -21.693 -5.717 1.00 73.11 C ATOM 1381 NZ LYS A 85 2.155 -20.891 -4.689 1.00 13.30 N ATOM 0 H LYS A 85 3.619 -19.779 -11.536 1.00 12.35 H new ATOM 0 HA LYS A 85 3.906 -19.147 -8.841 1.00 52.33 H new ATOM 0 HB2 LYS A 85 2.561 -21.024 -9.812 1.00 1.12 H new ATOM 0 HB3 LYS A 85 4.041 -21.862 -10.234 1.00 1.12 H new ATOM 0 HG2 LYS A 85 3.143 -22.832 -8.203 1.00 50.21 H new ATOM 0 HG3 LYS A 85 4.641 -22.007 -7.818 1.00 50.21 H new ATOM 0 HD2 LYS A 85 3.355 -20.034 -7.001 1.00 35.43 H new ATOM 0 HD3 LYS A 85 1.852 -20.839 -7.405 1.00 35.43 H new ATOM 0 HE2 LYS A 85 2.411 -22.674 -5.803 1.00 73.11 H new ATOM 0 HE3 LYS A 85 3.905 -21.856 -5.393 1.00 73.11 H new ATOM 0 HZ1 LYS A 85 2.179 -21.392 -3.778 1.00 13.30 H new ATOM 0 HZ2 LYS A 85 2.615 -19.964 -4.586 1.00 13.30 H new ATOM 0 HZ3 LYS A 85 1.167 -20.757 -4.984 1.00 13.30 H new ATOM 1395 N GLU A 86 6.567 -20.741 -10.043 1.00 60.32 N ATOM 1396 CA GLU A 86 7.982 -21.044 -9.768 1.00 31.00 C ATOM 1397 C GLU A 86 8.825 -19.766 -9.594 1.00 20.04 C ATOM 1398 O GLU A 86 9.765 -19.739 -8.800 1.00 5.14 O ATOM 1399 CB GLU A 86 8.562 -21.925 -10.885 1.00 25.11 C ATOM 1400 CG GLU A 86 10.040 -22.288 -10.714 1.00 45.42 C ATOM 1401 CD GLU A 86 10.350 -23.047 -9.428 1.00 45.24 C ATOM 1402 OE1 GLU A 86 9.689 -24.070 -9.158 1.00 52.41 O ATOM 1403 OE2 GLU A 86 11.291 -22.647 -8.703 1.00 63.53 O ATOM 0 H GLU A 86 6.222 -21.113 -10.928 1.00 60.32 H new ATOM 0 HA GLU A 86 8.024 -21.588 -8.824 1.00 31.00 H new ATOM 0 HB2 GLU A 86 7.981 -22.845 -10.942 1.00 25.11 H new ATOM 0 HB3 GLU A 86 8.437 -21.410 -11.837 1.00 25.11 H new ATOM 0 HG2 GLU A 86 10.355 -22.892 -11.565 1.00 45.42 H new ATOM 0 HG3 GLU A 86 10.633 -21.373 -10.735 1.00 45.42 H new ATOM 1410 N PHE A 87 8.484 -18.706 -10.326 1.00 1.52 N ATOM 1411 CA PHE A 87 9.169 -17.414 -10.167 1.00 1.42 C ATOM 1412 C PHE A 87 9.000 -16.855 -8.744 1.00 2.40 C ATOM 1413 O PHE A 87 9.928 -16.267 -8.184 1.00 0.11 O ATOM 1414 CB PHE A 87 8.670 -16.399 -11.210 1.00 20.35 C ATOM 1415 CG PHE A 87 9.280 -16.580 -12.585 1.00 33.45 C ATOM 1416 CD1 PHE A 87 9.395 -17.840 -13.157 1.00 11.44 C ATOM 1417 CD2 PHE A 87 9.738 -15.485 -13.307 1.00 65.21 C ATOM 1418 CE1 PHE A 87 9.949 -18.003 -14.412 1.00 11.34 C ATOM 1419 CE2 PHE A 87 10.294 -15.646 -14.562 1.00 73.24 C ATOM 1420 CZ PHE A 87 10.399 -16.905 -15.115 1.00 63.42 C ATOM 0 H PHE A 87 7.746 -18.710 -11.030 1.00 1.52 H new ATOM 0 HA PHE A 87 10.233 -17.585 -10.331 1.00 1.42 H new ATOM 0 HB2 PHE A 87 7.586 -16.479 -11.291 1.00 20.35 H new ATOM 0 HB3 PHE A 87 8.889 -15.392 -10.856 1.00 20.35 H new ATOM 0 HD1 PHE A 87 9.046 -18.705 -12.613 1.00 11.44 H new ATOM 0 HD2 PHE A 87 9.659 -14.495 -12.882 1.00 65.21 H new ATOM 0 HE1 PHE A 87 10.030 -18.990 -14.843 1.00 11.34 H new ATOM 0 HE2 PHE A 87 10.647 -14.785 -15.110 1.00 73.24 H new ATOM 0 HZ PHE A 87 10.833 -17.031 -16.096 1.00 63.42 H new ATOM 1430 N CYS A 88 7.809 -17.034 -8.164 1.00 41.24 N ATOM 1431 CA CYS A 88 7.566 -16.641 -6.760 1.00 52.44 C ATOM 1432 C CYS A 88 7.878 -17.783 -5.774 1.00 54.03 C ATOM 1433 O CYS A 88 7.957 -17.574 -4.564 1.00 2.05 O ATOM 1434 CB CYS A 88 6.115 -16.200 -6.561 1.00 34.30 C ATOM 1435 SG CYS A 88 5.704 -15.827 -4.839 1.00 45.31 S ATOM 0 H CYS A 88 7.002 -17.444 -8.634 1.00 41.24 H new ATOM 0 HA CYS A 88 8.239 -15.809 -6.552 1.00 52.44 H new ATOM 0 HB2 CYS A 88 5.925 -15.317 -7.171 1.00 34.30 H new ATOM 0 HB3 CYS A 88 5.452 -16.986 -6.923 1.00 34.30 H new ATOM 0 HG CYS A 88 6.530 -16.449 -4.051 1.00 45.31 H new ATOM 1441 N TYR A 89 8.050 -18.991 -6.297 1.00 44.41 N ATOM 1442 CA TYR A 89 8.294 -20.185 -5.475 1.00 71.35 C ATOM 1443 C TYR A 89 9.782 -20.315 -5.081 1.00 43.01 C ATOM 1444 O TYR A 89 10.369 -21.388 -5.212 1.00 24.23 O ATOM 1445 CB TYR A 89 7.808 -21.438 -6.228 1.00 62.21 C ATOM 1446 CG TYR A 89 7.787 -22.705 -5.390 1.00 22.12 C ATOM 1447 CD1 TYR A 89 7.121 -22.741 -4.168 1.00 32.00 C ATOM 1448 CD2 TYR A 89 8.429 -23.862 -5.819 1.00 32.14 C ATOM 1449 CE1 TYR A 89 7.102 -23.888 -3.400 1.00 52.30 C ATOM 1450 CE2 TYR A 89 8.410 -25.012 -5.056 1.00 72.20 C ATOM 1451 CZ TYR A 89 7.748 -25.020 -3.848 1.00 65.33 C ATOM 1452 OH TYR A 89 7.737 -26.165 -3.082 1.00 43.23 O ATOM 0 H TYR A 89 8.026 -19.177 -7.300 1.00 44.41 H new ATOM 0 HA TYR A 89 7.730 -20.085 -4.547 1.00 71.35 H new ATOM 0 HB2 TYR A 89 6.804 -21.252 -6.608 1.00 62.21 H new ATOM 0 HB3 TYR A 89 8.451 -21.600 -7.093 1.00 62.21 H new ATOM 0 HD1 TYR A 89 6.611 -21.857 -3.815 1.00 32.00 H new ATOM 0 HD2 TYR A 89 8.951 -23.860 -6.765 1.00 32.14 H new ATOM 0 HE1 TYR A 89 6.583 -23.898 -2.453 1.00 52.30 H new ATOM 0 HE2 TYR A 89 8.912 -25.902 -5.405 1.00 72.20 H new ATOM 0 HH TYR A 89 8.237 -26.871 -3.542 1.00 43.23 H new ATOM 1462 N LYS A 90 10.367 -19.204 -4.601 1.00 1.41 N ATOM 1463 CA LYS A 90 11.803 -19.104 -4.256 1.00 40.31 C ATOM 1464 C LYS A 90 12.469 -20.458 -3.930 1.00 52.02 C ATOM 1465 O LYS A 90 12.501 -20.899 -2.778 1.00 23.33 O ATOM 1466 CB LYS A 90 11.987 -18.147 -3.071 1.00 75.00 C ATOM 1467 CG LYS A 90 13.441 -17.959 -2.639 1.00 45.43 C ATOM 1468 CD LYS A 90 13.563 -17.116 -1.369 1.00 72.24 C ATOM 1469 CE LYS A 90 12.990 -15.712 -1.546 1.00 72.13 C ATOM 1470 NZ LYS A 90 13.201 -14.868 -0.342 1.00 0.24 N ATOM 0 H LYS A 90 9.853 -18.338 -4.438 1.00 1.41 H new ATOM 0 HA LYS A 90 12.301 -18.723 -5.148 1.00 40.31 H new ATOM 0 HB2 LYS A 90 11.569 -17.175 -3.335 1.00 75.00 H new ATOM 0 HB3 LYS A 90 11.413 -18.521 -2.223 1.00 75.00 H new ATOM 0 HG2 LYS A 90 13.897 -18.935 -2.470 1.00 45.43 H new ATOM 0 HG3 LYS A 90 13.999 -17.482 -3.445 1.00 45.43 H new ATOM 0 HD2 LYS A 90 13.044 -17.617 -0.552 1.00 72.24 H new ATOM 0 HD3 LYS A 90 14.612 -17.044 -1.083 1.00 72.24 H new ATOM 0 HE2 LYS A 90 13.457 -15.236 -2.408 1.00 72.13 H new ATOM 0 HE3 LYS A 90 11.923 -15.780 -1.758 1.00 72.13 H new ATOM 0 HZ1 LYS A 90 12.797 -13.924 -0.505 1.00 0.24 H new ATOM 0 HZ2 LYS A 90 12.734 -15.308 0.477 1.00 0.24 H new ATOM 0 HZ3 LYS A 90 14.220 -14.781 -0.153 1.00 0.24 H new ATOM 1484 N THR A 91 12.974 -21.116 -4.970 1.00 61.52 N ATOM 1485 CA THR A 91 13.744 -22.359 -4.826 1.00 21.43 C ATOM 1486 C THR A 91 15.236 -22.096 -5.084 1.00 73.10 C ATOM 1487 O THR A 91 16.099 -22.924 -4.781 1.00 15.34 O ATOM 1488 CB THR A 91 13.231 -23.446 -5.815 1.00 1.15 C ATOM 1489 OG1 THR A 91 11.837 -23.711 -5.579 1.00 45.45 O ATOM 1490 CG2 THR A 91 14.013 -24.753 -5.688 1.00 60.13 C ATOM 0 H THR A 91 12.864 -20.808 -5.936 1.00 61.52 H new ATOM 0 HA THR A 91 13.611 -22.720 -3.806 1.00 21.43 H new ATOM 0 HB THR A 91 13.377 -23.057 -6.823 1.00 1.15 H new ATOM 0 HG1 THR A 91 11.344 -22.865 -5.549 1.00 45.45 H new ATOM 0 HG21 THR A 91 13.621 -25.482 -6.397 1.00 60.13 H new ATOM 0 HG22 THR A 91 15.066 -24.569 -5.902 1.00 60.13 H new ATOM 0 HG23 THR A 91 13.911 -25.141 -4.675 1.00 60.13 H new ATOM 1498 N SER A 92 15.532 -20.915 -5.618 1.00 70.32 N ATOM 1499 CA SER A 92 16.893 -20.563 -6.040 1.00 64.03 C ATOM 1500 C SER A 92 17.601 -19.647 -5.029 1.00 24.44 C ATOM 1501 O SER A 92 16.966 -18.852 -4.336 1.00 55.04 O ATOM 1502 CB SER A 92 16.846 -19.873 -7.412 1.00 33.22 C ATOM 1503 OG SER A 92 16.156 -20.668 -8.365 1.00 15.45 O ATOM 0 H SER A 92 14.845 -20.177 -5.772 1.00 70.32 H new ATOM 0 HA SER A 92 17.465 -21.489 -6.100 1.00 64.03 H new ATOM 0 HB2 SER A 92 16.354 -18.905 -7.318 1.00 33.22 H new ATOM 0 HB3 SER A 92 17.861 -19.682 -7.761 1.00 33.22 H new ATOM 0 HG SER A 92 16.140 -20.204 -9.228 1.00 15.45 H new ATOM 1509 N ALA A 93 18.921 -19.799 -4.929 1.00 73.32 N ATOM 1510 CA ALA A 93 19.773 -18.874 -4.162 1.00 12.51 C ATOM 1511 C ALA A 93 21.181 -18.802 -4.781 1.00 71.31 C ATOM 1512 O ALA A 93 22.157 -18.410 -4.131 1.00 20.04 O ATOM 1513 CB ALA A 93 19.846 -19.314 -2.703 1.00 32.41 C ATOM 0 H ALA A 93 19.434 -20.561 -5.373 1.00 73.32 H new ATOM 0 HA ALA A 93 19.333 -17.877 -4.201 1.00 12.51 H new ATOM 0 HB1 ALA A 93 20.478 -18.623 -2.146 1.00 32.41 H new ATOM 0 HB2 ALA A 93 18.844 -19.316 -2.273 1.00 32.41 H new ATOM 0 HB3 ALA A 93 20.267 -20.318 -2.646 1.00 32.41 H new