USER MOD reduce.3.24.130724 H: found=0, std=0, add=571, rem=0, adj=23 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 90 LYS NZ :NH3+ -132:sc= 0.376 (180deg=-3.12!) USER MOD Set 1.2: A 92 SER OG : rot 42:sc= 0.635 USER MOD Set 2.1: A 5 GLN : amide:sc= -0.0184 K(o=0.56,f=-0.33) USER MOD Set 2.2: A 22 GLN : amide:sc= 0.58 K(o=0.56,f=-4.4!) USER MOD Set 3.1: A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 30 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 9 ASN : amide:sc= -0.186 K(o=-0.64,f=-3.7!) USER MOD Set 4.2: A 11 GLN : amide:sc= -0.45 K(o=-0.64,f=-4.6!) USER MOD Single : A 2 SER OG : rot 180:sc= -0.139 USER MOD Single : A 4 MET CE :methyl 165:sc= -0.0846 (180deg=-0.484) USER MOD Single : A 6 ASN : amide:sc=-0.00894 X(o=-0.0089,f=-0.014) USER MOD Single : A 8 LYS NZ :NH3+ 162:sc= 1.16 (180deg=0.579) 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= -0.194 USER MOD Single : A 19 TYR OH : rot 156:sc= 0.263 USER MOD Single : A 21 SER OG : rot -8:sc= 1.14 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -0.182 X(o=-0.18,f=-0.062) USER MOD Single : A 34 THR OG1 : rot -21:sc= 0.241 USER MOD Single : A 35 THR OG1 : rot 78:sc= 0.273 USER MOD Single : A 36 LYS NZ :NH3+ 140:sc= 0.0159 (180deg=-1.85!) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot 51:sc= -2.32! USER MOD Single : A 44 TYR OH : rot 165:sc= -1.52! USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 HIS : no HE2:sc= 0.894 K(o=0.89,f=-2.7!) USER MOD Single : A 85 LYS NZ :NH3+ -178:sc= -0.187 (180deg=-0.196) USER MOD Single : A 88 CYS SG : rot 180:sc= -0.0985 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 41:sc= 0.861 USER MOD ----------------------------------------------------------------- ATOM 20 N SER A 2 3.370 -4.937 -0.076 1.00 65.02 N ATOM 21 CA SER A 2 2.683 -6.245 -0.038 1.00 62.20 C ATOM 22 C SER A 2 1.168 -6.121 -0.266 1.00 14.12 C ATOM 23 O SER A 2 0.594 -6.834 -1.091 1.00 53.22 O ATOM 24 CB SER A 2 2.930 -6.940 1.306 1.00 62.41 C ATOM 25 OG SER A 2 2.328 -6.219 2.371 1.00 41.12 O ATOM 0 HA SER A 2 3.100 -6.838 -0.852 1.00 62.20 H new ATOM 0 HB2 SER A 2 2.528 -7.953 1.275 1.00 62.41 H new ATOM 0 HB3 SER A 2 4.002 -7.028 1.482 1.00 62.41 H new ATOM 0 HG SER A 2 2.498 -6.683 3.217 1.00 41.12 H new ATOM 31 N TRP A 3 0.526 -5.217 0.473 1.00 70.43 N ATOM 32 CA TRP A 3 -0.920 -4.984 0.338 1.00 43.15 C ATOM 33 C TRP A 3 -1.322 -4.638 -1.109 1.00 2.11 C ATOM 34 O TRP A 3 -2.337 -5.124 -1.607 1.00 63.42 O ATOM 35 CB TRP A 3 -1.383 -3.883 1.308 1.00 42.43 C ATOM 36 CG TRP A 3 -0.504 -2.664 1.329 1.00 15.01 C ATOM 37 CD1 TRP A 3 -0.594 -1.564 0.524 1.00 25.34 C ATOM 38 CD2 TRP A 3 0.596 -2.424 2.214 1.00 14.42 C ATOM 39 NE1 TRP A 3 0.385 -0.661 0.853 1.00 62.43 N ATOM 40 CE2 TRP A 3 1.127 -1.164 1.888 1.00 73.30 C ATOM 41 CE3 TRP A 3 1.183 -3.155 3.253 1.00 0.34 C ATOM 42 CZ2 TRP A 3 2.217 -0.619 2.561 1.00 4.51 C ATOM 43 CZ3 TRP A 3 2.264 -2.613 3.921 1.00 52.35 C ATOM 44 CH2 TRP A 3 2.771 -1.355 3.572 1.00 51.32 C ATOM 0 H TRP A 3 0.981 -4.631 1.173 1.00 70.43 H new ATOM 0 HA TRP A 3 -1.422 -5.916 0.596 1.00 43.15 H new ATOM 0 HB2 TRP A 3 -2.395 -3.581 1.039 1.00 42.43 H new ATOM 0 HB3 TRP A 3 -1.431 -4.299 2.314 1.00 42.43 H new ATOM 0 HD1 TRP A 3 -1.328 -1.426 -0.256 1.00 25.34 H new ATOM 0 HE1 TRP A 3 0.536 0.240 0.400 1.00 62.43 H new ATOM 0 HE3 TRP A 3 0.798 -4.126 3.528 1.00 0.34 H new ATOM 0 HZ2 TRP A 3 2.611 0.350 2.294 1.00 4.51 H new ATOM 0 HZ3 TRP A 3 2.725 -3.168 4.725 1.00 52.35 H new ATOM 0 HH2 TRP A 3 3.617 -0.958 4.113 1.00 51.32 H new ATOM 55 N MET A 4 -0.518 -3.813 -1.784 1.00 63.25 N ATOM 56 CA MET A 4 -0.783 -3.453 -3.186 1.00 63.03 C ATOM 57 C MET A 4 -0.716 -4.694 -4.092 1.00 23.41 C ATOM 58 O MET A 4 -1.516 -4.849 -5.021 1.00 14.42 O ATOM 59 CB MET A 4 0.216 -2.389 -3.667 1.00 11.32 C ATOM 60 CG MET A 4 0.002 -1.942 -5.111 1.00 62.20 C ATOM 61 SD MET A 4 -1.663 -1.304 -5.411 1.00 0.20 S ATOM 62 CE MET A 4 -1.746 0.030 -4.214 1.00 33.32 C ATOM 0 H MET A 4 0.318 -3.382 -1.389 1.00 63.25 H new ATOM 0 HA MET A 4 -1.790 -3.039 -3.244 1.00 63.03 H new ATOM 0 HB2 MET A 4 0.146 -1.519 -3.014 1.00 11.32 H new ATOM 0 HB3 MET A 4 1.227 -2.783 -3.566 1.00 11.32 H new ATOM 0 HG2 MET A 4 0.731 -1.171 -5.359 1.00 62.20 H new ATOM 0 HG3 MET A 4 0.189 -2.784 -5.778 1.00 62.20 H new ATOM 0 HE1 MET A 4 -2.588 0.680 -4.451 1.00 33.32 H new ATOM 0 HE2 MET A 4 -1.879 -0.385 -3.215 1.00 33.32 H new ATOM 0 HE3 MET A 4 -0.822 0.607 -4.247 1.00 33.32 H new ATOM 72 N GLN A 5 0.233 -5.583 -3.798 1.00 52.15 N ATOM 73 CA GLN A 5 0.367 -6.848 -4.526 1.00 1.51 C ATOM 74 C GLN A 5 -0.904 -7.695 -4.357 1.00 33.54 C ATOM 75 O GLN A 5 -1.552 -8.065 -5.331 1.00 4.10 O ATOM 76 CB GLN A 5 1.593 -7.621 -4.014 1.00 43.22 C ATOM 77 CG GLN A 5 2.869 -6.782 -3.974 1.00 51.12 C ATOM 78 CD GLN A 5 4.060 -7.516 -3.372 1.00 14.22 C ATOM 79 OE1 GLN A 5 4.904 -6.914 -2.717 1.00 42.00 O ATOM 80 NE2 GLN A 5 4.156 -8.808 -3.607 1.00 23.51 N ATOM 0 H GLN A 5 0.923 -5.451 -3.059 1.00 52.15 H new ATOM 0 HA GLN A 5 0.503 -6.633 -5.586 1.00 1.51 H new ATOM 0 HB2 GLN A 5 1.383 -7.997 -3.013 1.00 43.22 H new ATOM 0 HB3 GLN A 5 1.758 -8.489 -4.652 1.00 43.22 H new ATOM 0 HG2 GLN A 5 3.120 -6.468 -4.987 1.00 51.12 H new ATOM 0 HG3 GLN A 5 2.681 -5.876 -3.397 1.00 51.12 H new ATOM 0 HE21 GLN A 5 3.438 -9.281 -4.155 1.00 23.51 H new ATOM 0 HE22 GLN A 5 4.948 -9.336 -3.241 1.00 23.51 H new ATOM 89 N ASN A 6 -1.268 -7.963 -3.102 1.00 22.12 N ATOM 90 CA ASN A 6 -2.482 -8.729 -2.781 1.00 24.34 C ATOM 91 C ASN A 6 -3.757 -8.028 -3.297 1.00 0.04 C ATOM 92 O ASN A 6 -4.783 -8.673 -3.532 1.00 71.11 O ATOM 93 CB ASN A 6 -2.560 -8.955 -1.263 1.00 13.22 C ATOM 94 CG ASN A 6 -3.856 -9.617 -0.818 1.00 13.44 C ATOM 95 OD1 ASN A 6 -4.807 -8.946 -0.426 1.00 70.25 O ATOM 96 ND2 ASN A 6 -3.910 -10.933 -0.888 1.00 64.41 N ATOM 0 H ASN A 6 -0.739 -7.661 -2.284 1.00 22.12 H new ATOM 0 HA ASN A 6 -2.422 -9.692 -3.288 1.00 24.34 H new ATOM 0 HB2 ASN A 6 -1.719 -9.574 -0.951 1.00 13.22 H new ATOM 0 HB3 ASN A 6 -2.457 -7.997 -0.754 1.00 13.22 H new ATOM 0 HD21 ASN A 6 -4.760 -11.424 -0.612 1.00 64.41 H new ATOM 0 HD22 ASN A 6 -3.101 -11.460 -1.218 1.00 64.41 H new ATOM 103 N LEU A 7 -3.685 -6.709 -3.483 1.00 24.43 N ATOM 104 CA LEU A 7 -4.822 -5.934 -3.998 1.00 45.34 C ATOM 105 C LEU A 7 -5.085 -6.247 -5.481 1.00 32.11 C ATOM 106 O LEU A 7 -6.201 -6.597 -5.866 1.00 34.13 O ATOM 107 CB LEU A 7 -4.572 -4.430 -3.811 1.00 62.11 C ATOM 108 CG LEU A 7 -5.702 -3.505 -4.296 1.00 43.21 C ATOM 109 CD1 LEU A 7 -7.002 -3.798 -3.548 1.00 13.45 C ATOM 110 CD2 LEU A 7 -5.301 -2.039 -4.139 1.00 15.20 C ATOM 0 H LEU A 7 -2.853 -6.153 -3.286 1.00 24.43 H new ATOM 0 HA LEU A 7 -5.707 -6.221 -3.430 1.00 45.34 H new ATOM 0 HB2 LEU A 7 -4.398 -4.237 -2.752 1.00 62.11 H new ATOM 0 HB3 LEU A 7 -3.656 -4.163 -4.339 1.00 62.11 H new ATOM 0 HG LEU A 7 -5.873 -3.699 -5.355 1.00 43.21 H new ATOM 0 HD11 LEU A 7 -7.787 -3.132 -3.907 1.00 13.45 H new ATOM 0 HD12 LEU A 7 -7.297 -4.833 -3.722 1.00 13.45 H new ATOM 0 HD13 LEU A 7 -6.851 -3.638 -2.480 1.00 13.45 H new ATOM 0 HD21 LEU A 7 -6.113 -1.400 -4.487 1.00 15.20 H new ATOM 0 HD22 LEU A 7 -5.098 -1.828 -3.089 1.00 15.20 H new ATOM 0 HD23 LEU A 7 -4.406 -1.842 -4.729 1.00 15.20 H new ATOM 122 N LYS A 8 -4.051 -6.125 -6.311 1.00 24.41 N ATOM 123 CA LYS A 8 -4.172 -6.426 -7.744 1.00 52.44 C ATOM 124 C LYS A 8 -3.793 -7.884 -8.060 1.00 5.14 C ATOM 125 O LYS A 8 -3.678 -8.252 -9.228 1.00 14.20 O ATOM 126 CB LYS A 8 -3.313 -5.456 -8.576 1.00 34.23 C ATOM 127 CG LYS A 8 -4.046 -4.202 -9.048 1.00 44.40 C ATOM 128 CD LYS A 8 -4.632 -3.396 -7.895 1.00 51.44 C ATOM 129 CE LYS A 8 -5.300 -2.115 -8.388 1.00 3.32 C ATOM 130 NZ LYS A 8 -6.341 -2.381 -9.422 1.00 12.41 N ATOM 0 H LYS A 8 -3.121 -5.821 -6.021 1.00 24.41 H new ATOM 0 HA LYS A 8 -5.219 -6.293 -8.015 1.00 52.44 H new ATOM 0 HB2 LYS A 8 -2.450 -5.155 -7.982 1.00 34.23 H new ATOM 0 HB3 LYS A 8 -2.930 -5.987 -9.448 1.00 34.23 H new ATOM 0 HG2 LYS A 8 -3.357 -3.574 -9.612 1.00 44.40 H new ATOM 0 HG3 LYS A 8 -4.847 -4.489 -9.730 1.00 44.40 H new ATOM 0 HD2 LYS A 8 -5.361 -4.004 -7.359 1.00 51.44 H new ATOM 0 HD3 LYS A 8 -3.842 -3.146 -7.187 1.00 51.44 H new ATOM 0 HE2 LYS A 8 -5.754 -1.597 -7.544 1.00 3.32 H new ATOM 0 HE3 LYS A 8 -4.543 -1.449 -8.801 1.00 3.32 H new ATOM 0 HZ1 LYS A 8 -6.967 -1.554 -9.505 1.00 12.41 H new ATOM 0 HZ2 LYS A 8 -5.882 -2.562 -10.338 1.00 12.41 H new ATOM 0 HZ3 LYS A 8 -6.901 -3.212 -9.145 1.00 12.41 H new ATOM 144 N ASN A 9 -3.609 -8.708 -7.019 1.00 42.23 N ATOM 145 CA ASN A 9 -3.381 -10.154 -7.194 1.00 41.14 C ATOM 146 C ASN A 9 -4.661 -10.846 -7.704 1.00 62.24 C ATOM 147 O ASN A 9 -5.273 -11.668 -7.021 1.00 33.02 O ATOM 148 CB ASN A 9 -2.905 -10.790 -5.876 1.00 64.44 C ATOM 149 CG ASN A 9 -2.541 -12.261 -6.022 1.00 51.41 C ATOM 150 OD1 ASN A 9 -2.141 -12.715 -7.088 1.00 51.23 O ATOM 151 ND2 ASN A 9 -2.664 -13.017 -4.946 1.00 24.35 N ATOM 0 H ASN A 9 -3.613 -8.401 -6.046 1.00 42.23 H new ATOM 0 HA ASN A 9 -2.599 -10.292 -7.940 1.00 41.14 H new ATOM 0 HB2 ASN A 9 -2.038 -10.242 -5.507 1.00 64.44 H new ATOM 0 HB3 ASN A 9 -3.689 -10.688 -5.126 1.00 64.44 H new ATOM 0 HD21 ASN A 9 -2.423 -14.007 -4.988 1.00 24.35 H new ATOM 0 HD22 ASN A 9 -3.000 -12.611 -4.073 1.00 24.35 H new ATOM 158 N TYR A 10 -5.047 -10.484 -8.917 1.00 44.51 N ATOM 159 CA TYR A 10 -6.270 -10.965 -9.555 1.00 42.12 C ATOM 160 C TYR A 10 -6.220 -10.580 -11.036 1.00 14.42 C ATOM 161 O TYR A 10 -6.806 -9.579 -11.459 1.00 32.34 O ATOM 162 CB TYR A 10 -7.513 -10.365 -8.870 1.00 45.34 C ATOM 163 CG TYR A 10 -8.840 -10.892 -9.394 1.00 61.44 C ATOM 164 CD1 TYR A 10 -9.310 -12.143 -9.014 1.00 23.45 C ATOM 165 CD2 TYR A 10 -9.627 -10.135 -10.259 1.00 63.41 C ATOM 166 CE1 TYR A 10 -10.518 -12.626 -9.479 1.00 64.34 C ATOM 167 CE2 TYR A 10 -10.836 -10.613 -10.728 1.00 45.11 C ATOM 168 CZ TYR A 10 -11.276 -11.859 -10.335 1.00 34.32 C ATOM 169 OH TYR A 10 -12.482 -12.340 -10.799 1.00 45.14 O ATOM 0 H TYR A 10 -4.513 -9.838 -9.498 1.00 44.51 H new ATOM 0 HA TYR A 10 -6.341 -12.048 -9.459 1.00 42.12 H new ATOM 0 HB2 TYR A 10 -7.454 -10.565 -7.800 1.00 45.34 H new ATOM 0 HB3 TYR A 10 -7.493 -9.282 -8.993 1.00 45.34 H new ATOM 0 HD1 TYR A 10 -8.720 -12.749 -8.343 1.00 23.45 H new ATOM 0 HD2 TYR A 10 -9.287 -9.158 -10.568 1.00 63.41 H new ATOM 0 HE1 TYR A 10 -10.866 -13.601 -9.172 1.00 64.34 H new ATOM 0 HE2 TYR A 10 -11.433 -10.013 -11.399 1.00 45.11 H new ATOM 0 HH TYR A 10 -12.892 -11.676 -11.392 1.00 45.14 H new ATOM 179 N GLN A 11 -5.472 -11.359 -11.807 1.00 32.11 N ATOM 180 CA GLN A 11 -5.148 -11.006 -13.189 1.00 74.31 C ATOM 181 C GLN A 11 -6.347 -11.173 -14.135 1.00 54.01 C ATOM 182 O GLN A 11 -6.458 -12.154 -14.874 1.00 12.44 O ATOM 183 CB GLN A 11 -3.932 -11.814 -13.677 1.00 5.50 C ATOM 184 CG GLN A 11 -2.625 -11.481 -12.943 1.00 13.10 C ATOM 185 CD GLN A 11 -2.643 -11.860 -11.466 1.00 51.44 C ATOM 186 OE1 GLN A 11 -3.298 -12.819 -11.069 1.00 4.21 O ATOM 187 NE2 GLN A 11 -1.931 -11.112 -10.643 1.00 44.30 N ATOM 0 H GLN A 11 -5.074 -12.246 -11.498 1.00 32.11 H new ATOM 0 HA GLN A 11 -4.891 -9.947 -13.204 1.00 74.31 H new ATOM 0 HB2 GLN A 11 -4.143 -12.877 -13.557 1.00 5.50 H new ATOM 0 HB3 GLN A 11 -3.794 -11.635 -14.743 1.00 5.50 H new ATOM 0 HG2 GLN A 11 -1.800 -11.999 -13.433 1.00 13.10 H new ATOM 0 HG3 GLN A 11 -2.429 -10.413 -13.033 1.00 13.10 H new ATOM 0 HE21 GLN A 11 -1.397 -10.322 -11.005 1.00 44.30 H new ATOM 0 HE22 GLN A 11 -1.915 -11.325 -9.646 1.00 44.30 H new ATOM 196 N HIS A 12 -7.254 -10.205 -14.067 1.00 43.13 N ATOM 197 CA HIS A 12 -8.390 -10.106 -14.987 1.00 4.13 C ATOM 198 C HIS A 12 -8.427 -8.697 -15.611 1.00 55.42 C ATOM 199 O HIS A 12 -8.916 -8.504 -16.725 1.00 11.44 O ATOM 200 CB HIS A 12 -9.696 -10.409 -14.237 1.00 34.54 C ATOM 201 CG HIS A 12 -10.908 -10.472 -15.117 1.00 53.32 C ATOM 202 ND1 HIS A 12 -11.758 -9.405 -15.313 1.00 60.11 N ATOM 203 CD2 HIS A 12 -11.417 -11.489 -15.853 1.00 31.34 C ATOM 204 CE1 HIS A 12 -12.732 -9.760 -16.125 1.00 44.30 C ATOM 205 NE2 HIS A 12 -12.549 -11.016 -16.466 1.00 74.22 N ATOM 0 H HIS A 12 -7.225 -9.461 -13.370 1.00 43.13 H new ATOM 0 HA HIS A 12 -8.279 -10.837 -15.788 1.00 4.13 H new ATOM 0 HB2 HIS A 12 -9.590 -11.360 -13.715 1.00 34.54 H new ATOM 0 HB3 HIS A 12 -9.852 -9.643 -13.477 1.00 34.54 H new ATOM 0 HD2 HIS A 12 -11.008 -12.485 -15.941 1.00 31.34 H new ATOM 0 HE1 HIS A 12 -13.543 -9.127 -16.454 1.00 44.30 H new ATOM 0 HE2 HIS A 12 -13.153 -11.554 -17.088 1.00 74.22 H new ATOM 214 N LEU A 13 -7.902 -7.722 -14.864 1.00 31.14 N ATOM 215 CA LEU A 13 -7.702 -6.352 -15.361 1.00 10.32 C ATOM 216 C LEU A 13 -6.192 -6.057 -15.385 1.00 53.13 C ATOM 217 O LEU A 13 -5.484 -6.344 -14.417 1.00 64.23 O ATOM 218 CB LEU A 13 -8.453 -5.343 -14.462 1.00 45.01 C ATOM 219 CG LEU A 13 -8.805 -3.981 -15.099 1.00 51.14 C ATOM 220 CD1 LEU A 13 -9.767 -3.206 -14.201 1.00 55.21 C ATOM 221 CD2 LEU A 13 -7.556 -3.145 -15.370 1.00 32.22 C ATOM 0 H LEU A 13 -7.603 -7.857 -13.898 1.00 31.14 H new ATOM 0 HA LEU A 13 -8.103 -6.255 -16.370 1.00 10.32 H new ATOM 0 HB2 LEU A 13 -9.378 -5.810 -14.123 1.00 45.01 H new ATOM 0 HB3 LEU A 13 -7.846 -5.158 -13.576 1.00 45.01 H new ATOM 0 HG LEU A 13 -9.288 -4.182 -16.055 1.00 51.14 H new ATOM 0 HD11 LEU A 13 -10.005 -2.248 -14.664 1.00 55.21 H new ATOM 0 HD12 LEU A 13 -10.683 -3.782 -14.066 1.00 55.21 H new ATOM 0 HD13 LEU A 13 -9.301 -3.034 -13.231 1.00 55.21 H new ATOM 0 HD21 LEU A 13 -7.845 -2.194 -15.818 1.00 32.22 H new ATOM 0 HD22 LEU A 13 -7.032 -2.960 -14.433 1.00 32.22 H new ATOM 0 HD23 LEU A 13 -6.899 -3.683 -16.053 1.00 32.22 H new ATOM 233 N ARG A 14 -5.702 -5.489 -16.481 1.00 61.43 N ATOM 234 CA ARG A 14 -4.256 -5.354 -16.693 1.00 64.41 C ATOM 235 C ARG A 14 -3.666 -4.114 -15.995 1.00 41.14 C ATOM 236 O ARG A 14 -3.296 -3.132 -16.647 1.00 34.21 O ATOM 237 CB ARG A 14 -3.954 -5.315 -18.197 1.00 51.15 C ATOM 238 CG ARG A 14 -4.585 -6.466 -18.978 1.00 43.01 C ATOM 239 CD ARG A 14 -4.287 -6.373 -20.472 1.00 44.31 C ATOM 240 NE ARG A 14 -4.657 -5.071 -21.026 1.00 43.41 N ATOM 241 CZ ARG A 14 -5.207 -4.895 -22.196 1.00 51.44 C ATOM 242 NH1 ARG A 14 -5.566 -5.906 -22.921 1.00 11.11 N ATOM 243 NH2 ARG A 14 -5.433 -3.697 -22.625 1.00 11.55 N ATOM 0 H ARG A 14 -6.277 -5.115 -17.236 1.00 61.43 H new ATOM 0 HA ARG A 14 -3.778 -6.224 -16.242 1.00 64.41 H new ATOM 0 HB2 ARG A 14 -4.312 -4.370 -18.606 1.00 51.15 H new ATOM 0 HB3 ARG A 14 -2.874 -5.337 -18.343 1.00 51.15 H new ATOM 0 HG2 ARG A 14 -4.211 -7.414 -18.592 1.00 43.01 H new ATOM 0 HG3 ARG A 14 -5.664 -6.462 -18.822 1.00 43.01 H new ATOM 0 HD2 ARG A 14 -3.225 -6.550 -20.641 1.00 44.31 H new ATOM 0 HD3 ARG A 14 -4.829 -7.158 -20.999 1.00 44.31 H new ATOM 0 HE ARG A 14 -4.472 -4.244 -20.459 1.00 43.41 H new ATOM 0 HH11 ARG A 14 -5.420 -6.856 -22.579 1.00 11.11 H new ATOM 0 HH12 ARG A 14 -5.995 -5.752 -23.834 1.00 11.11 H new ATOM 0 HH21 ARG A 14 -5.182 -2.893 -22.049 1.00 11.55 H new ATOM 0 HH22 ARG A 14 -5.863 -3.555 -23.539 1.00 11.55 H new ATOM 257 N ASP A 15 -3.588 -4.163 -14.667 1.00 34.51 N ATOM 258 CA ASP A 15 -2.942 -3.101 -13.885 1.00 65.05 C ATOM 259 C ASP A 15 -1.467 -3.446 -13.595 1.00 11.12 C ATOM 260 O ASP A 15 -1.180 -4.355 -12.818 1.00 51.03 O ATOM 261 CB ASP A 15 -3.685 -2.872 -12.562 1.00 45.44 C ATOM 262 CG ASP A 15 -5.063 -2.263 -12.755 1.00 42.14 C ATOM 263 OD1 ASP A 15 -5.187 -1.295 -13.537 1.00 2.14 O ATOM 264 OD2 ASP A 15 -6.024 -2.737 -12.115 1.00 13.14 O ATOM 0 H ASP A 15 -3.964 -4.927 -14.105 1.00 34.51 H new ATOM 0 HA ASP A 15 -2.979 -2.187 -14.478 1.00 65.05 H new ATOM 0 HB2 ASP A 15 -3.784 -3.822 -12.037 1.00 45.44 H new ATOM 0 HB3 ASP A 15 -3.090 -2.217 -11.926 1.00 45.44 H new ATOM 269 N PRO A 16 -0.508 -2.710 -14.199 1.00 55.24 N ATOM 270 CA PRO A 16 0.939 -2.964 -14.012 1.00 40.24 C ATOM 271 C PRO A 16 1.451 -2.600 -12.602 1.00 42.30 C ATOM 272 O PRO A 16 2.649 -2.704 -12.322 1.00 2.45 O ATOM 273 CB PRO A 16 1.608 -2.061 -15.073 1.00 30.12 C ATOM 274 CG PRO A 16 0.499 -1.598 -15.966 1.00 55.10 C ATOM 275 CD PRO A 16 -0.741 -1.587 -15.117 1.00 61.41 C ATOM 0 HA PRO A 16 1.166 -4.025 -14.120 1.00 40.24 H new ATOM 0 HB2 PRO A 16 2.114 -1.216 -14.606 1.00 30.12 H new ATOM 0 HB3 PRO A 16 2.361 -2.611 -15.637 1.00 30.12 H new ATOM 0 HG2 PRO A 16 0.708 -0.605 -16.364 1.00 55.10 H new ATOM 0 HG3 PRO A 16 0.381 -2.265 -16.820 1.00 55.10 H new ATOM 0 HD2 PRO A 16 -0.859 -0.644 -14.583 1.00 61.41 H new ATOM 0 HD3 PRO A 16 -1.642 -1.730 -15.713 1.00 61.41 H new ATOM 283 N SER A 17 0.539 -2.199 -11.719 1.00 41.31 N ATOM 284 CA SER A 17 0.901 -1.733 -10.373 1.00 52.44 C ATOM 285 C SER A 17 1.476 -2.864 -9.517 1.00 71.02 C ATOM 286 O SER A 17 2.624 -2.790 -9.063 1.00 42.13 O ATOM 287 CB SER A 17 -0.322 -1.134 -9.673 1.00 53.11 C ATOM 288 OG SER A 17 -1.370 -2.086 -9.573 1.00 10.13 O ATOM 0 H SER A 17 -0.463 -2.186 -11.909 1.00 41.31 H new ATOM 0 HA SER A 17 1.670 -0.969 -10.489 1.00 52.44 H new ATOM 0 HB2 SER A 17 -0.043 -0.790 -8.677 1.00 53.11 H new ATOM 0 HB3 SER A 17 -0.670 -0.262 -10.226 1.00 53.11 H new ATOM 0 HG SER A 17 -2.139 -1.680 -9.121 1.00 10.13 H new ATOM 294 N GLU A 18 0.678 -3.912 -9.296 1.00 63.35 N ATOM 295 CA GLU A 18 1.128 -5.053 -8.498 1.00 50.24 C ATOM 296 C GLU A 18 2.434 -5.624 -9.064 1.00 52.52 C ATOM 297 O GLU A 18 3.413 -5.739 -8.341 1.00 44.45 O ATOM 298 CB GLU A 18 0.038 -6.143 -8.396 1.00 61.55 C ATOM 299 CG GLU A 18 -0.339 -6.827 -9.717 1.00 45.35 C ATOM 300 CD GLU A 18 0.160 -8.265 -9.805 1.00 50.33 C ATOM 301 OE1 GLU A 18 -0.419 -9.141 -9.133 1.00 63.01 O ATOM 302 OE2 GLU A 18 1.140 -8.515 -10.531 1.00 12.30 O ATOM 0 H GLU A 18 -0.273 -3.993 -9.655 1.00 63.35 H new ATOM 0 HA GLU A 18 1.321 -4.697 -7.486 1.00 50.24 H new ATOM 0 HB2 GLU A 18 0.377 -6.906 -7.696 1.00 61.55 H new ATOM 0 HB3 GLU A 18 -0.860 -5.695 -7.970 1.00 61.55 H new ATOM 0 HG2 GLU A 18 -1.423 -6.817 -9.829 1.00 45.35 H new ATOM 0 HG3 GLU A 18 0.073 -6.254 -10.548 1.00 45.35 H new ATOM 309 N TYR A 19 2.449 -5.927 -10.365 1.00 23.33 N ATOM 310 CA TYR A 19 3.648 -6.450 -11.051 1.00 65.31 C ATOM 311 C TYR A 19 4.917 -5.689 -10.634 1.00 4.10 C ATOM 312 O TYR A 19 5.908 -6.284 -10.184 1.00 74.51 O ATOM 313 CB TYR A 19 3.481 -6.342 -12.578 1.00 32.43 C ATOM 314 CG TYR A 19 2.292 -7.104 -13.139 1.00 3.01 C ATOM 315 CD1 TYR A 19 1.022 -6.532 -13.172 1.00 3.12 C ATOM 316 CD2 TYR A 19 2.440 -8.392 -13.643 1.00 24.25 C ATOM 317 CE1 TYR A 19 -0.060 -7.222 -13.688 1.00 73.40 C ATOM 318 CE2 TYR A 19 1.362 -9.085 -14.162 1.00 11.14 C ATOM 319 CZ TYR A 19 0.116 -8.495 -14.182 1.00 2.15 C ATOM 320 OH TYR A 19 -0.958 -9.184 -14.700 1.00 21.52 O ATOM 0 H TYR A 19 1.639 -5.820 -10.975 1.00 23.33 H new ATOM 0 HA TYR A 19 3.756 -7.495 -10.760 1.00 65.31 H new ATOM 0 HB2 TYR A 19 3.381 -5.290 -12.846 1.00 32.43 H new ATOM 0 HB3 TYR A 19 4.389 -6.708 -13.057 1.00 32.43 H new ATOM 0 HD1 TYR A 19 0.880 -5.533 -12.788 1.00 3.12 H new ATOM 0 HD2 TYR A 19 3.414 -8.859 -13.629 1.00 24.25 H new ATOM 0 HE1 TYR A 19 -1.038 -6.764 -13.703 1.00 73.40 H new ATOM 0 HE2 TYR A 19 1.495 -10.084 -14.550 1.00 11.14 H new ATOM 0 HH TYR A 19 -0.638 -9.867 -15.326 1.00 21.52 H new ATOM 330 N MET A 20 4.862 -4.366 -10.772 1.00 23.34 N ATOM 331 CA MET A 20 5.985 -3.492 -10.429 1.00 0.24 C ATOM 332 C MET A 20 6.400 -3.657 -8.955 1.00 1.43 C ATOM 333 O MET A 20 7.581 -3.574 -8.621 1.00 42.14 O ATOM 334 CB MET A 20 5.605 -2.033 -10.717 1.00 31.13 C ATOM 335 CG MET A 20 6.780 -1.068 -10.680 1.00 54.02 C ATOM 336 SD MET A 20 6.290 0.629 -11.048 1.00 33.54 S ATOM 337 CE MET A 20 7.892 1.417 -11.189 1.00 53.02 C ATOM 0 H MET A 20 4.043 -3.870 -11.123 1.00 23.34 H new ATOM 0 HA MET A 20 6.840 -3.775 -11.043 1.00 0.24 H new ATOM 0 HB2 MET A 20 5.134 -1.978 -11.698 1.00 31.13 H new ATOM 0 HB3 MET A 20 4.861 -1.712 -9.988 1.00 31.13 H new ATOM 0 HG2 MET A 20 7.244 -1.103 -9.695 1.00 54.02 H new ATOM 0 HG3 MET A 20 7.533 -1.390 -11.399 1.00 54.02 H new ATOM 0 HE1 MET A 20 7.758 2.475 -11.416 1.00 53.02 H new ATOM 0 HE2 MET A 20 8.433 1.313 -10.248 1.00 53.02 H new ATOM 0 HE3 MET A 20 8.461 0.944 -11.989 1.00 53.02 H new ATOM 347 N SER A 21 5.423 -3.889 -8.078 1.00 33.03 N ATOM 348 CA SER A 21 5.702 -4.110 -6.649 1.00 54.15 C ATOM 349 C SER A 21 5.906 -5.604 -6.318 1.00 60.23 C ATOM 350 O SER A 21 6.377 -5.941 -5.232 1.00 15.44 O ATOM 351 CB SER A 21 4.566 -3.539 -5.786 1.00 71.24 C ATOM 352 OG SER A 21 3.323 -4.173 -6.058 1.00 12.13 O ATOM 0 H SER A 21 4.434 -3.930 -8.325 1.00 33.03 H new ATOM 0 HA SER A 21 6.632 -3.589 -6.422 1.00 54.15 H new ATOM 0 HB2 SER A 21 4.814 -3.663 -4.732 1.00 71.24 H new ATOM 0 HB3 SER A 21 4.475 -2.468 -5.968 1.00 71.24 H new ATOM 0 HG SER A 21 3.420 -4.763 -6.835 1.00 12.13 H new ATOM 358 N GLN A 22 5.549 -6.488 -7.252 1.00 71.24 N ATOM 359 CA GLN A 22 5.659 -7.943 -7.044 1.00 61.20 C ATOM 360 C GLN A 22 7.118 -8.415 -7.098 1.00 60.41 C ATOM 361 O GLN A 22 7.579 -9.142 -6.216 1.00 61.12 O ATOM 362 CB GLN A 22 4.853 -8.715 -8.111 1.00 42.51 C ATOM 363 CG GLN A 22 3.333 -8.633 -7.962 1.00 33.44 C ATOM 364 CD GLN A 22 2.763 -9.570 -6.912 1.00 15.34 C ATOM 365 OE1 GLN A 22 3.414 -9.901 -5.928 1.00 11.24 O ATOM 366 NE2 GLN A 22 1.532 -10.000 -7.110 1.00 10.15 N ATOM 0 H GLN A 22 5.179 -6.225 -8.165 1.00 71.24 H new ATOM 0 HA GLN A 22 5.254 -8.148 -6.053 1.00 61.20 H new ATOM 0 HB2 GLN A 22 5.127 -8.336 -9.095 1.00 42.51 H new ATOM 0 HB3 GLN A 22 5.149 -9.763 -8.080 1.00 42.51 H new ATOM 0 HG2 GLN A 22 3.058 -7.609 -7.708 1.00 33.44 H new ATOM 0 HG3 GLN A 22 2.871 -8.858 -8.924 1.00 33.44 H new ATOM 0 HE21 GLN A 22 1.016 -9.706 -7.939 1.00 10.15 H new ATOM 0 HE22 GLN A 22 1.096 -10.627 -6.434 1.00 10.15 H new ATOM 375 N VAL A 23 7.839 -8.010 -8.144 1.00 32.53 N ATOM 376 CA VAL A 23 9.191 -8.535 -8.382 1.00 23.42 C ATOM 377 C VAL A 23 10.297 -7.470 -8.226 1.00 4.14 C ATOM 378 O VAL A 23 10.105 -6.288 -8.516 1.00 54.43 O ATOM 379 CB VAL A 23 9.291 -9.184 -9.789 1.00 24.14 C ATOM 380 CG1 VAL A 23 9.279 -8.124 -10.893 1.00 5.01 C ATOM 381 CG2 VAL A 23 10.526 -10.083 -9.893 1.00 0.31 C ATOM 0 H VAL A 23 7.519 -7.330 -8.833 1.00 32.53 H new ATOM 0 HA VAL A 23 9.357 -9.288 -7.612 1.00 23.42 H new ATOM 0 HB VAL A 23 8.411 -9.811 -9.929 1.00 24.14 H new ATOM 0 HG11 VAL A 23 9.350 -8.611 -11.866 1.00 5.01 H new ATOM 0 HG12 VAL A 23 8.352 -7.554 -10.840 1.00 5.01 H new ATOM 0 HG13 VAL A 23 10.127 -7.451 -10.761 1.00 5.01 H new ATOM 0 HG21 VAL A 23 10.572 -10.525 -10.888 1.00 0.31 H new ATOM 0 HG22 VAL A 23 11.424 -9.490 -9.718 1.00 0.31 H new ATOM 0 HG23 VAL A 23 10.463 -10.875 -9.147 1.00 0.31 H new ATOM 391 N TYR A 24 11.461 -7.922 -7.756 1.00 24.34 N ATOM 392 CA TYR A 24 12.665 -7.081 -7.633 1.00 33.33 C ATOM 393 C TYR A 24 13.532 -7.145 -8.913 1.00 61.12 C ATOM 394 O TYR A 24 14.539 -6.448 -9.036 1.00 32.54 O ATOM 395 CB TYR A 24 13.471 -7.543 -6.398 1.00 70.13 C ATOM 396 CG TYR A 24 14.910 -7.049 -6.342 1.00 13.45 C ATOM 397 CD1 TYR A 24 15.208 -5.700 -6.173 1.00 70.14 C ATOM 398 CD2 TYR A 24 15.971 -7.941 -6.465 1.00 74.42 C ATOM 399 CE1 TYR A 24 16.520 -5.259 -6.130 1.00 71.22 C ATOM 400 CE2 TYR A 24 17.281 -7.507 -6.423 1.00 22.45 C ATOM 401 CZ TYR A 24 17.552 -6.167 -6.256 1.00 13.03 C ATOM 402 OH TYR A 24 18.857 -5.735 -6.216 1.00 13.20 O ATOM 0 H TYR A 24 11.601 -8.884 -7.447 1.00 24.34 H new ATOM 0 HA TYR A 24 12.363 -6.042 -7.506 1.00 33.33 H new ATOM 0 HB2 TYR A 24 12.953 -7.207 -5.500 1.00 70.13 H new ATOM 0 HB3 TYR A 24 13.476 -8.633 -6.374 1.00 70.13 H new ATOM 0 HD1 TYR A 24 14.404 -4.986 -6.074 1.00 70.14 H new ATOM 0 HD2 TYR A 24 15.766 -8.993 -6.596 1.00 74.42 H new ATOM 0 HE1 TYR A 24 16.735 -4.209 -5.998 1.00 71.22 H new ATOM 0 HE2 TYR A 24 18.090 -8.216 -6.521 1.00 22.45 H new ATOM 0 HH TYR A 24 19.459 -6.502 -6.318 1.00 13.20 H new ATOM 412 N GLY A 25 13.117 -7.971 -9.870 1.00 44.21 N ATOM 413 CA GLY A 25 13.901 -8.186 -11.086 1.00 74.31 C ATOM 414 C GLY A 25 14.018 -6.954 -11.984 1.00 71.44 C ATOM 415 O GLY A 25 13.529 -5.873 -11.649 1.00 71.21 O ATOM 0 H GLY A 25 12.246 -8.501 -9.829 1.00 44.21 H new ATOM 0 HA2 GLY A 25 14.902 -8.514 -10.806 1.00 74.31 H new ATOM 0 HA3 GLY A 25 13.449 -8.996 -11.658 1.00 74.31 H new ATOM 419 N ASP A 26 14.667 -7.127 -13.134 1.00 42.30 N ATOM 420 CA ASP A 26 14.901 -6.034 -14.084 1.00 3.43 C ATOM 421 C ASP A 26 13.581 -5.343 -14.504 1.00 31.42 C ATOM 422 O ASP A 26 12.551 -6.002 -14.652 1.00 41.23 O ATOM 423 CB ASP A 26 15.623 -6.595 -15.317 1.00 20.00 C ATOM 424 CG ASP A 26 16.093 -5.510 -16.269 1.00 21.34 C ATOM 425 OD1 ASP A 26 15.324 -5.125 -17.173 1.00 30.12 O ATOM 426 OD2 ASP A 26 17.233 -5.027 -16.109 1.00 62.11 O ATOM 0 H ASP A 26 15.046 -8.025 -13.436 1.00 42.30 H new ATOM 0 HA ASP A 26 15.518 -5.278 -13.598 1.00 3.43 H new ATOM 0 HB2 ASP A 26 16.481 -7.184 -14.993 1.00 20.00 H new ATOM 0 HB3 ASP A 26 14.953 -7.272 -15.847 1.00 20.00 H new ATOM 431 N PRO A 27 13.588 -4.001 -14.688 1.00 63.42 N ATOM 432 CA PRO A 27 12.404 -3.249 -15.151 1.00 43.15 C ATOM 433 C PRO A 27 11.677 -3.905 -16.342 1.00 10.34 C ATOM 434 O PRO A 27 10.441 -3.909 -16.407 1.00 41.43 O ATOM 435 CB PRO A 27 13.000 -1.896 -15.558 1.00 73.44 C ATOM 436 CG PRO A 27 14.163 -1.720 -14.643 1.00 45.22 C ATOM 437 CD PRO A 27 14.738 -3.101 -14.435 1.00 33.32 C ATOM 0 HA PRO A 27 11.637 -3.193 -14.378 1.00 43.15 H new ATOM 0 HB2 PRO A 27 13.311 -1.896 -16.603 1.00 73.44 H new ATOM 0 HB3 PRO A 27 12.275 -1.090 -15.441 1.00 73.44 H new ATOM 0 HG2 PRO A 27 14.904 -1.050 -15.078 1.00 45.22 H new ATOM 0 HG3 PRO A 27 13.852 -1.280 -13.696 1.00 45.22 H new ATOM 0 HD2 PRO A 27 15.561 -3.300 -15.122 1.00 33.32 H new ATOM 0 HD3 PRO A 27 15.129 -3.224 -13.425 1.00 33.32 H new ATOM 445 N LEU A 28 12.446 -4.471 -17.274 1.00 63.23 N ATOM 446 CA LEU A 28 11.877 -5.130 -18.454 1.00 51.41 C ATOM 447 C LEU A 28 11.042 -6.363 -18.070 1.00 14.54 C ATOM 448 O LEU A 28 10.100 -6.721 -18.775 1.00 54.42 O ATOM 449 CB LEU A 28 12.991 -5.532 -19.427 1.00 65.23 C ATOM 450 CG LEU A 28 13.819 -4.365 -19.991 1.00 33.45 C ATOM 451 CD1 LEU A 28 14.955 -4.881 -20.865 1.00 34.30 C ATOM 452 CD2 LEU A 28 12.928 -3.401 -20.772 1.00 61.15 C ATOM 0 H LEU A 28 13.465 -4.487 -17.236 1.00 63.23 H new ATOM 0 HA LEU A 28 11.213 -4.416 -18.941 1.00 51.41 H new ATOM 0 HB2 LEU A 28 13.664 -6.222 -18.919 1.00 65.23 H new ATOM 0 HB3 LEU A 28 12.546 -6.077 -20.260 1.00 65.23 H new ATOM 0 HG LEU A 28 14.257 -3.822 -19.154 1.00 33.45 H new ATOM 0 HD11 LEU A 28 15.527 -4.038 -21.253 1.00 34.30 H new ATOM 0 HD12 LEU A 28 15.608 -5.521 -20.272 1.00 34.30 H new ATOM 0 HD13 LEU A 28 14.543 -5.454 -21.696 1.00 34.30 H new ATOM 0 HD21 LEU A 28 13.532 -2.582 -21.163 1.00 61.15 H new ATOM 0 HD22 LEU A 28 12.456 -3.931 -21.599 1.00 61.15 H new ATOM 0 HD23 LEU A 28 12.159 -3.001 -20.112 1.00 61.15 H new ATOM 464 N ALA A 29 11.383 -6.997 -16.944 1.00 33.25 N ATOM 465 CA ALA A 29 10.656 -8.179 -16.463 1.00 22.34 C ATOM 466 C ALA A 29 9.159 -7.887 -16.275 1.00 42.43 C ATOM 467 O ALA A 29 8.324 -8.391 -17.025 1.00 33.42 O ATOM 468 CB ALA A 29 11.267 -8.687 -15.162 1.00 1.51 C ATOM 0 H ALA A 29 12.159 -6.712 -16.347 1.00 33.25 H new ATOM 0 HA ALA A 29 10.748 -8.955 -17.223 1.00 22.34 H new ATOM 0 HB1 ALA A 29 10.717 -9.563 -14.819 1.00 1.51 H new ATOM 0 HB2 ALA A 29 12.310 -8.957 -15.331 1.00 1.51 H new ATOM 0 HB3 ALA A 29 11.212 -7.905 -14.405 1.00 1.51 H new ATOM 474 N TYR A 30 8.822 -7.052 -15.289 1.00 73.43 N ATOM 475 CA TYR A 30 7.414 -6.728 -15.020 1.00 12.14 C ATOM 476 C TYR A 30 6.788 -5.882 -16.146 1.00 43.11 C ATOM 477 O TYR A 30 5.567 -5.873 -16.313 1.00 14.24 O ATOM 478 CB TYR A 30 7.250 -6.040 -13.651 1.00 41.43 C ATOM 479 CG TYR A 30 8.113 -4.801 -13.427 1.00 11.31 C ATOM 480 CD1 TYR A 30 7.749 -3.562 -13.951 1.00 44.15 C ATOM 481 CD2 TYR A 30 9.281 -4.870 -12.667 1.00 64.14 C ATOM 482 CE1 TYR A 30 8.524 -2.437 -13.730 1.00 0.12 C ATOM 483 CE2 TYR A 30 10.054 -3.748 -12.440 1.00 32.33 C ATOM 484 CZ TYR A 30 9.673 -2.535 -12.972 1.00 54.05 C ATOM 485 OH TYR A 30 10.444 -1.416 -12.744 1.00 0.24 O ATOM 0 H TYR A 30 9.491 -6.593 -14.671 1.00 73.43 H new ATOM 0 HA TYR A 30 6.871 -7.673 -14.989 1.00 12.14 H new ATOM 0 HB2 TYR A 30 6.204 -5.759 -13.529 1.00 41.43 H new ATOM 0 HB3 TYR A 30 7.478 -6.766 -12.870 1.00 41.43 H new ATOM 0 HD1 TYR A 30 6.847 -3.478 -14.539 1.00 44.15 H new ATOM 0 HD2 TYR A 30 9.586 -5.818 -12.249 1.00 64.14 H new ATOM 0 HE1 TYR A 30 8.231 -1.486 -14.149 1.00 0.12 H new ATOM 0 HE2 TYR A 30 10.954 -3.821 -11.848 1.00 32.33 H new ATOM 0 HH TYR A 30 11.216 -1.658 -12.191 1.00 0.24 H new ATOM 495 N LEU A 31 7.623 -5.181 -16.915 1.00 32.43 N ATOM 496 CA LEU A 31 7.149 -4.437 -18.089 1.00 14.42 C ATOM 497 C LEU A 31 6.601 -5.397 -19.163 1.00 42.22 C ATOM 498 O LEU A 31 5.408 -5.381 -19.484 1.00 63.42 O ATOM 499 CB LEU A 31 8.290 -3.590 -18.674 1.00 73.12 C ATOM 500 CG LEU A 31 7.919 -2.725 -19.891 1.00 61.11 C ATOM 501 CD1 LEU A 31 6.850 -1.697 -19.525 1.00 50.01 C ATOM 502 CD2 LEU A 31 9.160 -2.041 -20.465 1.00 23.00 C ATOM 0 H LEU A 31 8.627 -5.111 -16.749 1.00 32.43 H new ATOM 0 HA LEU A 31 6.341 -3.778 -17.772 1.00 14.42 H new ATOM 0 HB2 LEU A 31 8.673 -2.937 -17.890 1.00 73.12 H new ATOM 0 HB3 LEU A 31 9.104 -4.257 -18.959 1.00 73.12 H new ATOM 0 HG LEU A 31 7.505 -3.379 -20.659 1.00 61.11 H new ATOM 0 HD11 LEU A 31 6.605 -1.098 -20.402 1.00 50.01 H new ATOM 0 HD12 LEU A 31 5.955 -2.212 -19.176 1.00 50.01 H new ATOM 0 HD13 LEU A 31 7.226 -1.047 -18.735 1.00 50.01 H new ATOM 0 HD21 LEU A 31 8.876 -1.434 -21.325 1.00 23.00 H new ATOM 0 HD22 LEU A 31 9.609 -1.404 -19.703 1.00 23.00 H new ATOM 0 HD23 LEU A 31 9.881 -2.797 -20.777 1.00 23.00 H new ATOM 514 N GLN A 32 7.476 -6.246 -19.700 1.00 43.00 N ATOM 515 CA GLN A 32 7.072 -7.235 -20.702 1.00 32.43 C ATOM 516 C GLN A 32 5.977 -8.155 -20.150 1.00 75.41 C ATOM 517 O GLN A 32 5.088 -8.580 -20.885 1.00 73.43 O ATOM 518 CB GLN A 32 8.280 -8.065 -21.167 1.00 2.33 C ATOM 519 CG GLN A 32 9.358 -7.245 -21.873 1.00 32.34 C ATOM 520 CD GLN A 32 8.865 -6.599 -23.163 1.00 63.13 C ATOM 521 OE1 GLN A 32 8.961 -7.178 -24.238 1.00 54.22 O ATOM 522 NE2 GLN A 32 8.330 -5.397 -23.067 1.00 74.20 N ATOM 0 H GLN A 32 8.467 -6.270 -19.460 1.00 43.00 H new ATOM 0 HA GLN A 32 6.670 -6.697 -21.561 1.00 32.43 H new ATOM 0 HB2 GLN A 32 8.722 -8.561 -20.303 1.00 2.33 H new ATOM 0 HB3 GLN A 32 7.933 -8.848 -21.841 1.00 2.33 H new ATOM 0 HG2 GLN A 32 9.716 -6.468 -21.198 1.00 32.34 H new ATOM 0 HG3 GLN A 32 10.208 -7.889 -22.097 1.00 32.34 H new ATOM 0 HE21 GLN A 32 8.264 -4.939 -22.158 1.00 74.20 H new ATOM 0 HE22 GLN A 32 7.983 -4.925 -23.902 1.00 74.20 H new ATOM 531 N GLU A 33 6.046 -8.451 -18.851 1.00 33.45 N ATOM 532 CA GLU A 33 5.027 -9.263 -18.175 1.00 64.03 C ATOM 533 C GLU A 33 3.618 -8.664 -18.352 1.00 12.43 C ATOM 534 O GLU A 33 2.730 -9.305 -18.905 1.00 34.41 O ATOM 535 CB GLU A 33 5.373 -9.397 -16.683 1.00 44.10 C ATOM 536 CG GLU A 33 4.420 -10.280 -15.883 1.00 52.14 C ATOM 537 CD GLU A 33 4.309 -11.700 -16.421 1.00 21.10 C ATOM 538 OE1 GLU A 33 5.350 -12.303 -16.756 1.00 71.34 O ATOM 539 OE2 GLU A 33 3.178 -12.218 -16.504 1.00 51.45 O ATOM 0 H GLU A 33 6.801 -8.139 -18.241 1.00 33.45 H new ATOM 0 HA GLU A 33 5.021 -10.252 -18.632 1.00 64.03 H new ATOM 0 HB2 GLU A 33 6.382 -9.800 -16.593 1.00 44.10 H new ATOM 0 HB3 GLU A 33 5.386 -8.403 -16.237 1.00 44.10 H new ATOM 0 HG2 GLU A 33 4.757 -10.318 -14.847 1.00 52.14 H new ATOM 0 HG3 GLU A 33 3.430 -9.823 -15.880 1.00 52.14 H new ATOM 546 N THR A 34 3.418 -7.421 -17.914 1.00 44.12 N ATOM 547 CA THR A 34 2.100 -6.777 -18.050 1.00 70.34 C ATOM 548 C THR A 34 1.707 -6.564 -19.526 1.00 50.32 C ATOM 549 O THR A 34 0.533 -6.362 -19.837 1.00 65.43 O ATOM 550 CB THR A 34 2.021 -5.420 -17.304 1.00 73.22 C ATOM 551 OG1 THR A 34 0.691 -4.881 -17.401 1.00 5.32 O ATOM 552 CG2 THR A 34 3.019 -4.410 -17.863 1.00 2.51 C ATOM 0 H THR A 34 4.133 -6.845 -17.470 1.00 44.12 H new ATOM 0 HA THR A 34 1.394 -7.468 -17.590 1.00 70.34 H new ATOM 0 HB THR A 34 2.272 -5.604 -16.259 1.00 73.22 H new ATOM 0 HG1 THR A 34 0.231 -5.282 -18.168 1.00 5.32 H new ATOM 0 HG21 THR A 34 2.933 -3.472 -17.315 1.00 2.51 H new ATOM 0 HG22 THR A 34 4.031 -4.801 -17.757 1.00 2.51 H new ATOM 0 HG23 THR A 34 2.807 -4.234 -18.918 1.00 2.51 H new ATOM 560 N THR A 35 2.690 -6.594 -20.429 1.00 74.25 N ATOM 561 CA THR A 35 2.425 -6.448 -21.874 1.00 13.51 C ATOM 562 C THR A 35 2.087 -7.792 -22.561 1.00 71.42 C ATOM 563 O THR A 35 1.269 -7.838 -23.486 1.00 2.44 O ATOM 564 CB THR A 35 3.635 -5.804 -22.604 1.00 0.45 C ATOM 565 OG1 THR A 35 3.934 -4.517 -22.036 1.00 53.44 O ATOM 566 CG2 THR A 35 3.369 -5.642 -24.100 1.00 71.43 C ATOM 0 H THR A 35 3.675 -6.717 -20.193 1.00 74.25 H new ATOM 0 HA THR A 35 1.554 -5.797 -21.950 1.00 13.51 H new ATOM 0 HB THR A 35 4.486 -6.473 -22.474 1.00 0.45 H new ATOM 0 HG1 THR A 35 4.417 -4.636 -21.191 1.00 53.44 H new ATOM 0 HG21 THR A 35 4.238 -5.188 -24.577 1.00 71.43 H new ATOM 0 HG22 THR A 35 3.180 -6.619 -24.544 1.00 71.43 H new ATOM 0 HG23 THR A 35 2.499 -5.003 -24.248 1.00 71.43 H new ATOM 574 N LYS A 36 2.710 -8.883 -22.110 1.00 21.25 N ATOM 575 CA LYS A 36 2.589 -10.189 -22.789 1.00 0.03 C ATOM 576 C LYS A 36 2.072 -11.288 -21.837 1.00 72.21 C ATOM 577 O LYS A 36 1.184 -12.064 -22.210 1.00 71.31 O ATOM 578 CB LYS A 36 3.946 -10.574 -23.396 1.00 32.41 C ATOM 579 CG LYS A 36 4.495 -9.508 -24.347 1.00 0.24 C ATOM 580 CD LYS A 36 5.920 -9.797 -24.804 1.00 33.15 C ATOM 581 CE LYS A 36 6.024 -11.096 -25.590 1.00 1.54 C ATOM 582 NZ LYS A 36 7.355 -11.238 -26.234 1.00 1.40 N ATOM 0 H LYS A 36 3.303 -8.895 -21.280 1.00 21.25 H new ATOM 0 HA LYS A 36 1.851 -10.097 -23.586 1.00 0.03 H new ATOM 0 HB2 LYS A 36 4.663 -10.742 -22.593 1.00 32.41 H new ATOM 0 HB3 LYS A 36 3.844 -11.516 -23.934 1.00 32.41 H new ATOM 0 HG2 LYS A 36 3.846 -9.438 -25.220 1.00 0.24 H new ATOM 0 HG3 LYS A 36 4.468 -8.538 -23.851 1.00 0.24 H new ATOM 0 HD2 LYS A 36 6.275 -8.972 -25.422 1.00 33.15 H new ATOM 0 HD3 LYS A 36 6.575 -9.848 -23.934 1.00 33.15 H new ATOM 0 HE2 LYS A 36 5.849 -11.941 -24.924 1.00 1.54 H new ATOM 0 HE3 LYS A 36 5.245 -11.125 -26.352 1.00 1.54 H new ATOM 0 HZ1 LYS A 36 7.673 -12.225 -26.159 1.00 1.40 H new ATOM 0 HZ2 LYS A 36 7.286 -10.971 -27.237 1.00 1.40 H new ATOM 0 HZ3 LYS A 36 8.039 -10.617 -25.757 1.00 1.40 H new ATOM 596 N PHE A 37 2.651 -11.361 -20.633 1.00 51.51 N ATOM 597 CA PHE A 37 2.104 -12.152 -19.510 1.00 73.45 C ATOM 598 C PHE A 37 2.516 -13.642 -19.524 1.00 21.11 C ATOM 599 O PHE A 37 1.966 -14.451 -20.280 1.00 41.30 O ATOM 600 CB PHE A 37 0.570 -12.015 -19.446 1.00 23.43 C ATOM 601 CG PHE A 37 -0.057 -12.553 -18.184 1.00 13.55 C ATOM 602 CD1 PHE A 37 -0.014 -11.818 -17.008 1.00 54.25 C ATOM 603 CD2 PHE A 37 -0.701 -13.785 -18.172 1.00 42.23 C ATOM 604 CE1 PHE A 37 -0.596 -12.297 -15.851 1.00 15.21 C ATOM 605 CE2 PHE A 37 -1.287 -14.266 -17.016 1.00 12.44 C ATOM 606 CZ PHE A 37 -1.233 -13.521 -15.855 1.00 42.44 C ATOM 0 H PHE A 37 3.517 -10.873 -20.403 1.00 51.51 H new ATOM 0 HA PHE A 37 2.549 -11.731 -18.609 1.00 73.45 H new ATOM 0 HB2 PHE A 37 0.308 -10.962 -19.546 1.00 23.43 H new ATOM 0 HB3 PHE A 37 0.136 -12.533 -20.301 1.00 23.43 H new ATOM 0 HD1 PHE A 37 0.481 -10.858 -16.997 1.00 54.25 H new ATOM 0 HD2 PHE A 37 -0.744 -14.373 -19.077 1.00 42.23 H new ATOM 0 HE1 PHE A 37 -0.553 -11.714 -14.943 1.00 15.21 H new ATOM 0 HE2 PHE A 37 -1.786 -15.224 -17.021 1.00 12.44 H new ATOM 0 HZ PHE A 37 -1.689 -13.896 -14.951 1.00 42.44 H new ATOM 616 N VAL A 38 3.494 -13.975 -18.669 1.00 33.41 N ATOM 617 CA VAL A 38 3.830 -15.366 -18.291 1.00 34.20 C ATOM 618 C VAL A 38 4.507 -16.216 -19.389 1.00 0.43 C ATOM 619 O VAL A 38 5.616 -16.728 -19.196 1.00 41.03 O ATOM 620 CB VAL A 38 2.573 -16.119 -17.777 1.00 64.24 C ATOM 621 CG1 VAL A 38 2.876 -17.593 -17.509 1.00 25.02 C ATOM 622 CG2 VAL A 38 2.026 -15.448 -16.521 1.00 32.13 C ATOM 0 H VAL A 38 4.085 -13.281 -18.212 1.00 33.41 H new ATOM 0 HA VAL A 38 4.573 -15.248 -17.502 1.00 34.20 H new ATOM 0 HB VAL A 38 1.814 -16.073 -18.558 1.00 64.24 H new ATOM 0 HG11 VAL A 38 1.975 -18.090 -17.151 1.00 25.02 H new ATOM 0 HG12 VAL A 38 3.211 -18.069 -18.431 1.00 25.02 H new ATOM 0 HG13 VAL A 38 3.659 -17.672 -16.754 1.00 25.02 H new ATOM 0 HG21 VAL A 38 1.145 -15.988 -16.174 1.00 32.13 H new ATOM 0 HG22 VAL A 38 2.788 -15.458 -15.742 1.00 32.13 H new ATOM 0 HG23 VAL A 38 1.753 -14.417 -16.748 1.00 32.13 H new ATOM 632 N THR A 39 3.841 -16.397 -20.518 1.00 13.23 N ATOM 633 CA THR A 39 4.239 -17.425 -21.490 1.00 62.41 C ATOM 634 C THR A 39 5.283 -16.929 -22.502 1.00 32.12 C ATOM 635 O THR A 39 4.919 -16.416 -23.561 1.00 45.31 O ATOM 636 CB THR A 39 3.004 -17.954 -22.265 1.00 4.24 C ATOM 637 OG1 THR A 39 1.999 -18.401 -21.342 1.00 21.34 O ATOM 638 CG2 THR A 39 3.376 -19.103 -23.198 1.00 72.32 C ATOM 0 H THR A 39 3.024 -15.852 -20.791 1.00 13.23 H new ATOM 0 HA THR A 39 4.694 -18.225 -20.906 1.00 62.41 H new ATOM 0 HB THR A 39 2.618 -17.133 -22.868 1.00 4.24 H new ATOM 0 HG1 THR A 39 1.222 -18.732 -21.839 1.00 21.34 H new ATOM 0 HG21 THR A 39 2.486 -19.448 -23.724 1.00 72.32 H new ATOM 0 HG22 THR A 39 4.115 -18.759 -23.922 1.00 72.32 H new ATOM 0 HG23 THR A 39 3.794 -19.924 -22.615 1.00 72.32 H new ATOM 646 N GLU A 40 6.580 -17.069 -22.171 1.00 72.22 N ATOM 647 CA GLU A 40 7.652 -16.813 -23.154 1.00 4.33 C ATOM 648 C GLU A 40 9.078 -17.084 -22.611 1.00 42.51 C ATOM 649 O GLU A 40 9.378 -16.974 -21.399 1.00 54.22 O ATOM 650 CB GLU A 40 7.570 -15.375 -23.707 1.00 52.43 C ATOM 651 CG GLU A 40 8.453 -15.125 -24.932 1.00 12.21 C ATOM 652 CD GLU A 40 8.203 -16.121 -26.059 1.00 73.42 C ATOM 653 OE1 GLU A 40 7.199 -15.972 -26.785 1.00 30.10 O ATOM 654 OE2 GLU A 40 9.007 -17.065 -26.215 1.00 64.34 O ATOM 0 H GLU A 40 6.909 -17.353 -21.248 1.00 72.22 H new ATOM 0 HA GLU A 40 7.479 -17.528 -23.959 1.00 4.33 H new ATOM 0 HB2 GLU A 40 6.535 -15.156 -23.968 1.00 52.43 H new ATOM 0 HB3 GLU A 40 7.854 -14.677 -22.919 1.00 52.43 H new ATOM 0 HG2 GLU A 40 8.275 -14.115 -25.301 1.00 12.21 H new ATOM 0 HG3 GLU A 40 9.500 -15.176 -24.635 1.00 12.21 H new ATOM 661 N ARG A 41 9.965 -17.442 -23.543 1.00 44.35 N ATOM 662 CA ARG A 41 11.377 -17.640 -23.242 1.00 55.25 C ATOM 663 C ARG A 41 11.968 -16.419 -22.541 1.00 34.12 C ATOM 664 O ARG A 41 12.492 -16.541 -21.445 1.00 4.13 O ATOM 665 CB ARG A 41 12.178 -17.937 -24.519 1.00 60.52 C ATOM 666 CG ARG A 41 11.759 -19.217 -25.237 1.00 4.33 C ATOM 667 CD ARG A 41 12.837 -19.692 -26.205 1.00 20.42 C ATOM 668 NE ARG A 41 14.105 -19.949 -25.515 1.00 11.35 N ATOM 669 CZ ARG A 41 14.991 -20.824 -25.904 1.00 34.42 C ATOM 670 NH1 ARG A 41 14.790 -21.558 -26.952 1.00 10.32 N ATOM 671 NH2 ARG A 41 16.080 -20.973 -25.227 1.00 61.13 N ATOM 0 H ARG A 41 9.722 -17.601 -24.521 1.00 44.35 H new ATOM 0 HA ARG A 41 11.447 -18.498 -22.573 1.00 55.25 H new ATOM 0 HB2 ARG A 41 12.071 -17.097 -25.205 1.00 60.52 H new ATOM 0 HB3 ARG A 41 13.235 -18.007 -24.263 1.00 60.52 H new ATOM 0 HG2 ARG A 41 11.557 -19.998 -24.504 1.00 4.33 H new ATOM 0 HG3 ARG A 41 10.831 -19.043 -25.781 1.00 4.33 H new ATOM 0 HD2 ARG A 41 12.503 -20.601 -26.705 1.00 20.42 H new ATOM 0 HD3 ARG A 41 12.989 -18.940 -26.979 1.00 20.42 H new ATOM 0 HE ARG A 41 14.308 -19.407 -24.675 1.00 11.35 H new ATOM 0 HH11 ARG A 41 13.928 -21.457 -27.488 1.00 10.32 H new ATOM 0 HH12 ARG A 41 15.494 -22.237 -27.242 1.00 10.32 H new ATOM 0 HH21 ARG A 41 16.244 -20.408 -24.393 1.00 61.13 H new ATOM 0 HH22 ARG A 41 16.777 -21.655 -25.526 1.00 61.13 H new ATOM 685 N GLU A 42 11.852 -15.244 -23.170 1.00 31.13 N ATOM 686 CA GLU A 42 12.416 -13.993 -22.627 1.00 5.31 C ATOM 687 C GLU A 42 12.127 -13.830 -21.125 1.00 64.20 C ATOM 688 O GLU A 42 12.908 -13.222 -20.395 1.00 55.53 O ATOM 689 CB GLU A 42 11.870 -12.791 -23.408 1.00 41.53 C ATOM 690 CG GLU A 42 10.352 -12.660 -23.346 1.00 71.22 C ATOM 691 CD GLU A 42 9.798 -11.682 -24.367 1.00 1.31 C ATOM 692 OE1 GLU A 42 10.121 -11.823 -25.567 1.00 31.13 O ATOM 693 OE2 GLU A 42 9.025 -10.784 -23.990 1.00 25.55 O ATOM 0 H GLU A 42 11.370 -15.128 -24.062 1.00 31.13 H new ATOM 0 HA GLU A 42 13.499 -14.042 -22.743 1.00 5.31 H new ATOM 0 HB2 GLU A 42 12.321 -11.879 -23.017 1.00 41.53 H new ATOM 0 HB3 GLU A 42 12.176 -12.876 -24.451 1.00 41.53 H new ATOM 0 HG2 GLU A 42 9.902 -13.639 -23.508 1.00 71.22 H new ATOM 0 HG3 GLU A 42 10.061 -12.337 -22.346 1.00 71.22 H new ATOM 700 N TYR A 43 11.011 -14.391 -20.664 1.00 24.12 N ATOM 701 CA TYR A 43 10.712 -14.427 -19.234 1.00 62.22 C ATOM 702 C TYR A 43 11.702 -15.318 -18.496 1.00 21.04 C ATOM 703 O TYR A 43 12.366 -14.871 -17.557 1.00 53.13 O ATOM 704 CB TYR A 43 9.286 -14.911 -18.985 1.00 32.51 C ATOM 705 CG TYR A 43 8.246 -13.931 -19.465 1.00 40.13 C ATOM 706 CD1 TYR A 43 8.317 -12.597 -19.094 1.00 31.02 C ATOM 707 CD2 TYR A 43 7.207 -14.332 -20.289 1.00 20.50 C ATOM 708 CE1 TYR A 43 7.372 -11.688 -19.528 1.00 32.20 C ATOM 709 CE2 TYR A 43 6.258 -13.432 -20.727 1.00 30.44 C ATOM 710 CZ TYR A 43 6.343 -12.113 -20.345 1.00 53.41 C ATOM 711 OH TYR A 43 5.395 -11.218 -20.781 1.00 33.12 O ATOM 0 H TYR A 43 10.302 -14.825 -21.256 1.00 24.12 H new ATOM 0 HA TYR A 43 10.804 -13.411 -18.851 1.00 62.22 H new ATOM 0 HB2 TYR A 43 9.138 -15.867 -19.488 1.00 32.51 H new ATOM 0 HB3 TYR A 43 9.148 -15.088 -17.918 1.00 32.51 H new ATOM 0 HD1 TYR A 43 9.123 -12.264 -18.457 1.00 31.02 H new ATOM 0 HD2 TYR A 43 7.139 -15.366 -20.593 1.00 20.50 H new ATOM 0 HE1 TYR A 43 7.437 -10.652 -19.230 1.00 32.20 H new ATOM 0 HE2 TYR A 43 5.452 -13.761 -21.367 1.00 30.44 H new ATOM 0 HH TYR A 43 5.838 -10.436 -21.172 1.00 33.12 H new ATOM 721 N TYR A 44 11.823 -16.579 -18.919 1.00 12.03 N ATOM 722 CA TYR A 44 12.803 -17.467 -18.266 1.00 22.02 C ATOM 723 C TYR A 44 14.223 -17.305 -18.858 1.00 32.30 C ATOM 724 O TYR A 44 15.155 -18.004 -18.457 1.00 12.11 O ATOM 725 CB TYR A 44 12.350 -18.943 -18.262 1.00 72.33 C ATOM 726 CG TYR A 44 12.268 -19.639 -19.614 1.00 71.22 C ATOM 727 CD1 TYR A 44 13.418 -20.070 -20.271 1.00 35.54 C ATOM 728 CD2 TYR A 44 11.038 -19.904 -20.208 1.00 33.22 C ATOM 729 CE1 TYR A 44 13.344 -20.733 -21.480 1.00 74.15 C ATOM 730 CE2 TYR A 44 10.958 -20.574 -21.414 1.00 62.15 C ATOM 731 CZ TYR A 44 12.112 -20.985 -22.047 1.00 41.31 C ATOM 732 OH TYR A 44 12.032 -21.652 -23.250 1.00 4.31 O ATOM 0 H TYR A 44 11.284 -17.000 -19.676 1.00 12.03 H new ATOM 0 HA TYR A 44 12.854 -17.151 -17.224 1.00 22.02 H new ATOM 0 HB2 TYR A 44 13.036 -19.507 -17.630 1.00 72.33 H new ATOM 0 HB3 TYR A 44 11.368 -18.996 -17.792 1.00 72.33 H new ATOM 0 HD1 TYR A 44 14.385 -19.882 -19.827 1.00 35.54 H new ATOM 0 HD2 TYR A 44 10.131 -19.581 -19.719 1.00 33.22 H new ATOM 0 HE1 TYR A 44 14.247 -21.053 -21.979 1.00 74.15 H new ATOM 0 HE2 TYR A 44 9.995 -20.775 -21.859 1.00 62.15 H new ATOM 0 HH TYR A 44 11.112 -21.959 -23.393 1.00 4.31 H new ATOM 742 N GLU A 45 14.389 -16.355 -19.785 1.00 70.51 N ATOM 743 CA GLU A 45 15.712 -16.024 -20.346 1.00 43.52 C ATOM 744 C GLU A 45 16.329 -14.809 -19.625 1.00 71.13 C ATOM 745 O GLU A 45 16.542 -13.757 -20.230 1.00 60.40 O ATOM 746 CB GLU A 45 15.625 -15.727 -21.858 1.00 34.53 C ATOM 747 CG GLU A 45 15.212 -16.913 -22.735 1.00 22.24 C ATOM 748 CD GLU A 45 16.276 -17.995 -22.872 1.00 25.11 C ATOM 749 OE1 GLU A 45 17.481 -17.663 -22.883 1.00 13.32 O ATOM 750 OE2 GLU A 45 15.908 -19.182 -23.009 1.00 52.43 O ATOM 0 H GLU A 45 13.624 -15.798 -20.166 1.00 70.51 H new ATOM 0 HA GLU A 45 16.349 -16.895 -20.194 1.00 43.52 H new ATOM 0 HB2 GLU A 45 14.912 -14.917 -22.012 1.00 34.53 H new ATOM 0 HB3 GLU A 45 16.596 -15.366 -22.197 1.00 34.53 H new ATOM 0 HG2 GLU A 45 14.309 -17.359 -22.319 1.00 22.24 H new ATOM 0 HG3 GLU A 45 14.957 -16.543 -23.728 1.00 22.24 H new ATOM 757 N ASP A 46 16.527 -14.948 -18.312 1.00 24.21 N ATOM 758 CA ASP A 46 17.329 -14.000 -17.502 1.00 3.04 C ATOM 759 C ASP A 46 16.510 -12.812 -16.969 1.00 24.40 C ATOM 760 O ASP A 46 16.619 -12.462 -15.796 1.00 1.53 O ATOM 761 CB ASP A 46 18.559 -13.476 -18.271 1.00 33.35 C ATOM 762 CG ASP A 46 19.599 -14.551 -18.536 1.00 75.23 C ATOM 763 OD1 ASP A 46 19.527 -15.220 -19.586 1.00 32.42 O ATOM 764 OD2 ASP A 46 20.506 -14.723 -17.699 1.00 33.43 O ATOM 0 H ASP A 46 16.139 -15.720 -17.770 1.00 24.21 H new ATOM 0 HA ASP A 46 17.668 -14.581 -16.644 1.00 3.04 H new ATOM 0 HB2 ASP A 46 18.233 -13.053 -19.221 1.00 33.35 H new ATOM 0 HB3 ASP A 46 19.018 -12.667 -17.702 1.00 33.35 H new ATOM 769 N PHE A 47 15.699 -12.198 -17.824 1.00 42.53 N ATOM 770 CA PHE A 47 14.956 -10.979 -17.459 1.00 1.03 C ATOM 771 C PHE A 47 14.166 -11.118 -16.140 1.00 33.02 C ATOM 772 O PHE A 47 14.073 -10.168 -15.364 1.00 54.54 O ATOM 773 CB PHE A 47 14.010 -10.579 -18.600 1.00 43.44 C ATOM 774 CG PHE A 47 14.731 -10.152 -19.857 1.00 55.30 C ATOM 775 CD1 PHE A 47 15.155 -8.840 -20.017 1.00 2.13 C ATOM 776 CD2 PHE A 47 14.990 -11.061 -20.876 1.00 13.22 C ATOM 777 CE1 PHE A 47 15.819 -8.445 -21.163 1.00 2.12 C ATOM 778 CE2 PHE A 47 15.654 -10.669 -22.023 1.00 34.20 C ATOM 779 CZ PHE A 47 16.068 -9.361 -22.167 1.00 11.23 C ATOM 0 H PHE A 47 15.534 -12.519 -18.778 1.00 42.53 H new ATOM 0 HA PHE A 47 15.698 -10.197 -17.297 1.00 1.03 H new ATOM 0 HB2 PHE A 47 13.358 -11.421 -18.833 1.00 43.44 H new ATOM 0 HB3 PHE A 47 13.370 -9.764 -18.262 1.00 43.44 H new ATOM 0 HD1 PHE A 47 14.964 -8.119 -19.236 1.00 2.13 H new ATOM 0 HD2 PHE A 47 14.668 -12.087 -20.770 1.00 13.22 H new ATOM 0 HE1 PHE A 47 16.143 -7.421 -21.274 1.00 2.12 H new ATOM 0 HE2 PHE A 47 15.849 -11.387 -22.806 1.00 34.20 H new ATOM 0 HZ PHE A 47 16.586 -9.053 -23.063 1.00 11.23 H new ATOM 789 N GLY A 48 13.616 -12.304 -15.881 1.00 72.41 N ATOM 790 CA GLY A 48 12.784 -12.507 -14.694 1.00 24.52 C ATOM 791 C GLY A 48 13.560 -12.738 -13.389 1.00 35.44 C ATOM 792 O GLY A 48 12.952 -12.978 -12.346 1.00 21.31 O ATOM 0 H GLY A 48 13.729 -13.130 -16.469 1.00 72.41 H new ATOM 0 HA2 GLY A 48 12.140 -11.637 -14.567 1.00 24.52 H new ATOM 0 HA3 GLY A 48 12.132 -13.363 -14.868 1.00 24.52 H new ATOM 1115 N PRO A 71 -1.206 -17.725 -4.217 1.00 42.34 N ATOM 1116 CA PRO A 71 -1.764 -18.572 -5.286 1.00 34.02 C ATOM 1117 C PRO A 71 -3.242 -18.937 -5.044 1.00 24.43 C ATOM 1118 O PRO A 71 -3.847 -19.670 -5.827 1.00 15.02 O ATOM 1119 CB PRO A 71 -0.881 -19.834 -5.249 1.00 50.11 C ATOM 1120 CG PRO A 71 0.326 -19.454 -4.452 1.00 24.35 C ATOM 1121 CD PRO A 71 -0.149 -18.426 -3.466 1.00 61.51 C ATOM 0 HA PRO A 71 -1.757 -18.061 -6.249 1.00 34.02 H new ATOM 0 HB2 PRO A 71 -1.409 -20.669 -4.788 1.00 50.11 H new ATOM 0 HB3 PRO A 71 -0.604 -20.149 -6.255 1.00 50.11 H new ATOM 0 HG2 PRO A 71 0.748 -20.320 -3.943 1.00 24.35 H new ATOM 0 HG3 PRO A 71 1.108 -19.049 -5.094 1.00 24.35 H new ATOM 0 HD2 PRO A 71 -0.535 -18.885 -2.556 1.00 61.51 H new ATOM 0 HD3 PRO A 71 0.652 -17.750 -3.167 1.00 61.51 H new ATOM 1129 N LYS A 72 -3.806 -18.426 -3.948 1.00 74.44 N ATOM 1130 CA LYS A 72 -5.219 -18.634 -3.616 1.00 72.13 C ATOM 1131 C LYS A 72 -6.132 -17.874 -4.591 1.00 64.32 C ATOM 1132 O LYS A 72 -6.952 -18.475 -5.291 1.00 54.41 O ATOM 1133 CB LYS A 72 -5.483 -18.169 -2.178 1.00 51.21 C ATOM 1134 CG LYS A 72 -6.949 -18.229 -1.753 1.00 34.51 C ATOM 1135 CD LYS A 72 -7.161 -17.598 -0.376 1.00 3.41 C ATOM 1136 CE LYS A 72 -6.757 -16.125 -0.363 1.00 1.12 C ATOM 1137 NZ LYS A 72 -6.936 -15.499 0.974 1.00 53.35 N ATOM 0 H LYS A 72 -3.300 -17.859 -3.268 1.00 74.44 H new ATOM 0 HA LYS A 72 -5.443 -19.697 -3.703 1.00 72.13 H new ATOM 0 HB2 LYS A 72 -4.895 -18.784 -1.497 1.00 51.21 H new ATOM 0 HB3 LYS A 72 -5.128 -17.144 -2.070 1.00 51.21 H new ATOM 0 HG2 LYS A 72 -7.564 -17.712 -2.490 1.00 34.51 H new ATOM 0 HG3 LYS A 72 -7.281 -19.267 -1.733 1.00 34.51 H new ATOM 0 HD2 LYS A 72 -8.209 -17.691 -0.090 1.00 3.41 H new ATOM 0 HD3 LYS A 72 -6.578 -18.142 0.368 1.00 3.41 H new ATOM 0 HE2 LYS A 72 -5.714 -16.035 -0.667 1.00 1.12 H new ATOM 0 HE3 LYS A 72 -7.351 -15.582 -1.098 1.00 1.12 H new ATOM 0 HZ1 LYS A 72 -6.649 -14.500 0.931 1.00 53.35 H new ATOM 0 HZ2 LYS A 72 -7.936 -15.560 1.255 1.00 53.35 H new ATOM 0 HZ3 LYS A 72 -6.349 -15.998 1.673 1.00 53.35 H new ATOM 1151 N LEU A 73 -5.992 -16.548 -4.627 1.00 4.14 N ATOM 1152 CA LEU A 73 -6.772 -15.715 -5.550 1.00 2.15 C ATOM 1153 C LEU A 73 -6.183 -15.775 -6.973 1.00 72.40 C ATOM 1154 O LEU A 73 -6.909 -15.679 -7.968 1.00 13.52 O ATOM 1155 CB LEU A 73 -6.824 -14.266 -5.039 1.00 72.23 C ATOM 1156 CG LEU A 73 -7.760 -13.320 -5.813 1.00 0.55 C ATOM 1157 CD1 LEU A 73 -9.187 -13.867 -5.841 1.00 42.24 C ATOM 1158 CD2 LEU A 73 -7.732 -11.918 -5.201 1.00 11.53 C ATOM 0 H LEU A 73 -5.349 -16.027 -4.031 1.00 4.14 H new ATOM 0 HA LEU A 73 -7.789 -16.104 -5.594 1.00 2.15 H new ATOM 0 HB2 LEU A 73 -7.134 -14.279 -3.994 1.00 72.23 H new ATOM 0 HB3 LEU A 73 -5.816 -13.853 -5.067 1.00 72.23 H new ATOM 0 HG LEU A 73 -7.403 -13.255 -6.841 1.00 0.55 H new ATOM 0 HD11 LEU A 73 -9.829 -13.181 -6.393 1.00 42.24 H new ATOM 0 HD12 LEU A 73 -9.193 -14.842 -6.328 1.00 42.24 H new ATOM 0 HD13 LEU A 73 -9.558 -13.969 -4.821 1.00 42.24 H new ATOM 0 HD21 LEU A 73 -8.399 -11.263 -5.761 1.00 11.53 H new ATOM 0 HD22 LEU A 73 -8.060 -11.968 -4.163 1.00 11.53 H new ATOM 0 HD23 LEU A 73 -6.717 -11.523 -5.243 1.00 11.53 H new ATOM 1170 N LEU A 74 -4.863 -15.943 -7.056 1.00 45.30 N ATOM 1171 CA LEU A 74 -4.172 -16.155 -8.336 1.00 71.40 C ATOM 1172 C LEU A 74 -4.534 -17.528 -8.946 1.00 52.11 C ATOM 1173 O LEU A 74 -4.301 -18.568 -8.328 1.00 11.44 O ATOM 1174 CB LEU A 74 -2.650 -16.060 -8.118 1.00 4.40 C ATOM 1175 CG LEU A 74 -1.767 -16.562 -9.277 1.00 41.34 C ATOM 1176 CD1 LEU A 74 -1.933 -15.699 -10.526 1.00 12.30 C ATOM 1177 CD2 LEU A 74 -0.304 -16.618 -8.845 1.00 70.30 C ATOM 0 H LEU A 74 -4.243 -15.937 -6.246 1.00 45.30 H new ATOM 0 HA LEU A 74 -4.493 -15.383 -9.035 1.00 71.40 H new ATOM 0 HB2 LEU A 74 -2.396 -15.019 -7.919 1.00 4.40 H new ATOM 0 HB3 LEU A 74 -2.396 -16.627 -7.222 1.00 4.40 H new ATOM 0 HG LEU A 74 -2.094 -17.570 -9.533 1.00 41.34 H new ATOM 0 HD11 LEU A 74 -1.295 -16.084 -11.322 1.00 12.30 H new ATOM 0 HD12 LEU A 74 -2.973 -15.725 -10.851 1.00 12.30 H new ATOM 0 HD13 LEU A 74 -1.650 -14.671 -10.299 1.00 12.30 H new ATOM 0 HD21 LEU A 74 0.307 -16.974 -9.674 1.00 70.30 H new ATOM 0 HD22 LEU A 74 0.027 -15.622 -8.552 1.00 70.30 H new ATOM 0 HD23 LEU A 74 -0.200 -17.298 -7.999 1.00 70.30 H new ATOM 1189 N PRO A 75 -5.102 -17.555 -10.171 1.00 22.14 N ATOM 1190 CA PRO A 75 -5.463 -18.815 -10.846 1.00 13.32 C ATOM 1191 C PRO A 75 -4.225 -19.606 -11.306 1.00 23.43 C ATOM 1192 O PRO A 75 -3.091 -19.115 -11.235 1.00 11.14 O ATOM 1193 CB PRO A 75 -6.295 -18.343 -12.047 1.00 50.21 C ATOM 1194 CG PRO A 75 -5.796 -16.965 -12.333 1.00 62.15 C ATOM 1195 CD PRO A 75 -5.432 -16.374 -10.996 1.00 54.21 C ATOM 0 HA PRO A 75 -5.998 -19.499 -10.188 1.00 13.32 H new ATOM 0 HB2 PRO A 75 -6.159 -19.000 -12.906 1.00 50.21 H new ATOM 0 HB3 PRO A 75 -7.360 -18.339 -11.814 1.00 50.21 H new ATOM 0 HG2 PRO A 75 -4.932 -16.992 -12.997 1.00 62.15 H new ATOM 0 HG3 PRO A 75 -6.561 -16.368 -12.829 1.00 62.15 H new ATOM 0 HD2 PRO A 75 -4.585 -15.692 -11.076 1.00 54.21 H new ATOM 0 HD3 PRO A 75 -6.259 -15.806 -10.570 1.00 54.21 H new ATOM 1203 N TYR A 76 -4.431 -20.833 -11.778 1.00 12.21 N ATOM 1204 CA TYR A 76 -3.308 -21.666 -12.213 1.00 35.14 C ATOM 1205 C TYR A 76 -3.674 -22.587 -13.392 1.00 22.22 C ATOM 1206 O TYR A 76 -4.293 -23.636 -13.226 1.00 42.42 O ATOM 1207 CB TYR A 76 -2.742 -22.473 -11.026 1.00 62.42 C ATOM 1208 CG TYR A 76 -3.726 -23.429 -10.365 1.00 14.12 C ATOM 1209 CD1 TYR A 76 -4.775 -22.957 -9.582 1.00 24.12 C ATOM 1210 CD2 TYR A 76 -3.597 -24.806 -10.521 1.00 23.33 C ATOM 1211 CE1 TYR A 76 -5.665 -23.827 -8.979 1.00 2.10 C ATOM 1212 CE2 TYR A 76 -4.483 -25.680 -9.920 1.00 33.43 C ATOM 1213 CZ TYR A 76 -5.514 -25.186 -9.151 1.00 23.31 C ATOM 1214 OH TYR A 76 -6.395 -26.059 -8.548 1.00 41.41 O ATOM 0 H TYR A 76 -5.349 -21.269 -11.869 1.00 12.21 H new ATOM 0 HA TYR A 76 -2.532 -20.994 -12.579 1.00 35.14 H new ATOM 0 HB2 TYR A 76 -1.882 -23.045 -11.373 1.00 62.42 H new ATOM 0 HB3 TYR A 76 -2.377 -21.774 -10.273 1.00 62.42 H new ATOM 0 HD1 TYR A 76 -4.896 -21.893 -9.443 1.00 24.12 H new ATOM 0 HD2 TYR A 76 -2.790 -25.198 -11.122 1.00 23.33 H new ATOM 0 HE1 TYR A 76 -6.475 -23.443 -8.376 1.00 2.10 H new ATOM 0 HE2 TYR A 76 -4.368 -26.746 -10.053 1.00 33.43 H new ATOM 0 HH TYR A 76 -6.147 -26.980 -8.772 1.00 41.41 H new ATOM 1224 N ASP A 77 -3.316 -22.149 -14.594 1.00 53.54 N ATOM 1225 CA ASP A 77 -3.385 -22.985 -15.796 1.00 72.54 C ATOM 1226 C ASP A 77 -1.965 -23.440 -16.156 1.00 21.43 C ATOM 1227 O ASP A 77 -1.065 -22.621 -16.162 1.00 65.23 O ATOM 1228 CB ASP A 77 -4.003 -22.192 -16.953 1.00 70.44 C ATOM 1229 CG ASP A 77 -5.392 -21.673 -16.620 1.00 70.53 C ATOM 1230 OD1 ASP A 77 -5.520 -20.855 -15.686 1.00 41.14 O ATOM 1231 OD2 ASP A 77 -6.364 -22.070 -17.296 1.00 63.42 O ATOM 0 H ASP A 77 -2.969 -21.205 -14.767 1.00 53.54 H new ATOM 0 HA ASP A 77 -4.012 -23.856 -15.609 1.00 72.54 H new ATOM 0 HB2 ASP A 77 -3.354 -21.352 -17.202 1.00 70.44 H new ATOM 0 HB3 ASP A 77 -4.057 -22.827 -17.837 1.00 70.44 H new ATOM 1236 N LYS A 78 -1.788 -24.723 -16.482 1.00 33.14 N ATOM 1237 CA LYS A 78 -0.451 -25.377 -16.579 1.00 61.32 C ATOM 1238 C LYS A 78 0.751 -24.410 -16.773 1.00 24.54 C ATOM 1239 O LYS A 78 1.695 -24.428 -15.980 1.00 62.41 O ATOM 1240 CB LYS A 78 -0.466 -26.423 -17.701 1.00 53.32 C ATOM 1241 CG LYS A 78 -1.504 -27.525 -17.495 1.00 40.12 C ATOM 1242 CD LYS A 78 -1.327 -28.233 -16.153 1.00 63.25 C ATOM 1243 CE LYS A 78 -2.383 -29.312 -15.938 1.00 73.04 C ATOM 1244 NZ LYS A 78 -2.258 -29.952 -14.603 1.00 24.21 N ATOM 0 H LYS A 78 -2.563 -25.353 -16.690 1.00 33.14 H new ATOM 0 HA LYS A 78 -0.287 -25.842 -15.607 1.00 61.32 H new ATOM 0 HB2 LYS A 78 -0.662 -25.923 -18.650 1.00 53.32 H new ATOM 0 HB3 LYS A 78 0.522 -26.876 -17.778 1.00 53.32 H new ATOM 0 HG2 LYS A 78 -2.504 -27.096 -17.549 1.00 40.12 H new ATOM 0 HG3 LYS A 78 -1.425 -28.253 -18.302 1.00 40.12 H new ATOM 0 HD2 LYS A 78 -0.335 -28.681 -16.107 1.00 63.25 H new ATOM 0 HD3 LYS A 78 -1.385 -27.502 -15.346 1.00 63.25 H new ATOM 0 HE2 LYS A 78 -3.376 -28.873 -16.039 1.00 73.04 H new ATOM 0 HE3 LYS A 78 -2.290 -30.071 -16.715 1.00 73.04 H new ATOM 0 HZ1 LYS A 78 -2.994 -30.679 -14.496 1.00 24.21 H new ATOM 0 HZ2 LYS A 78 -1.320 -30.393 -14.516 1.00 24.21 H new ATOM 0 HZ3 LYS A 78 -2.373 -29.232 -13.861 1.00 24.21 H new ATOM 1258 N ARG A 79 0.708 -23.558 -17.800 1.00 61.12 N ATOM 1259 CA ARG A 79 1.815 -22.622 -18.077 1.00 12.42 C ATOM 1260 C ARG A 79 1.768 -21.416 -17.124 1.00 12.20 C ATOM 1261 O ARG A 79 2.786 -21.023 -16.546 1.00 53.42 O ATOM 1262 CB ARG A 79 1.779 -22.143 -19.540 1.00 63.11 C ATOM 1263 CG ARG A 79 2.344 -23.142 -20.555 1.00 22.13 C ATOM 1264 CD ARG A 79 1.612 -24.481 -20.542 1.00 40.53 C ATOM 1265 NE ARG A 79 0.179 -24.343 -20.811 1.00 41.23 N ATOM 1266 CZ ARG A 79 -0.584 -25.308 -21.256 1.00 71.42 C ATOM 1267 NH1 ARG A 79 -0.075 -26.454 -21.586 1.00 11.23 N ATOM 1268 NH2 ARG A 79 -1.854 -25.116 -21.399 1.00 21.13 N ATOM 0 H ARG A 79 -0.073 -23.492 -18.453 1.00 61.12 H new ATOM 0 HA ARG A 79 2.750 -23.158 -17.911 1.00 12.42 H new ATOM 0 HB2 ARG A 79 0.747 -21.917 -19.809 1.00 63.11 H new ATOM 0 HB3 ARG A 79 2.340 -21.211 -19.617 1.00 63.11 H new ATOM 0 HG2 ARG A 79 2.284 -22.710 -21.554 1.00 22.13 H new ATOM 0 HG3 ARG A 79 3.400 -23.309 -20.343 1.00 22.13 H new ATOM 0 HD2 ARG A 79 2.056 -25.141 -21.288 1.00 40.53 H new ATOM 0 HD3 ARG A 79 1.751 -24.957 -19.572 1.00 40.53 H new ATOM 0 HE ARG A 79 -0.253 -23.435 -20.640 1.00 41.23 H new ATOM 0 HH11 ARG A 79 0.929 -26.610 -21.500 1.00 11.23 H new ATOM 0 HH12 ARG A 79 -0.679 -27.200 -21.932 1.00 11.23 H new ATOM 0 HH21 ARG A 79 -2.263 -24.211 -21.165 1.00 21.13 H new ATOM 0 HH22 ARG A 79 -2.448 -25.869 -21.746 1.00 21.13 H new ATOM 1282 N LEU A 80 0.576 -20.837 -16.972 1.00 71.11 N ATOM 1283 CA LEU A 80 0.336 -19.763 -15.998 1.00 45.43 C ATOM 1284 C LEU A 80 0.746 -20.204 -14.585 1.00 42.23 C ATOM 1285 O LEU A 80 1.321 -19.431 -13.817 1.00 45.30 O ATOM 1286 CB LEU A 80 -1.153 -19.372 -16.013 1.00 31.33 C ATOM 1287 CG LEU A 80 -1.610 -18.412 -14.898 1.00 33.22 C ATOM 1288 CD1 LEU A 80 -0.877 -17.078 -14.986 1.00 70.41 C ATOM 1289 CD2 LEU A 80 -3.122 -18.206 -14.957 1.00 31.41 C ATOM 0 H LEU A 80 -0.248 -21.095 -17.515 1.00 71.11 H new ATOM 0 HA LEU A 80 0.942 -18.901 -16.277 1.00 45.43 H new ATOM 0 HB2 LEU A 80 -1.378 -18.913 -16.976 1.00 31.33 H new ATOM 0 HB3 LEU A 80 -1.748 -20.283 -15.948 1.00 31.33 H new ATOM 0 HG LEU A 80 -1.361 -18.865 -13.938 1.00 33.22 H new ATOM 0 HD11 LEU A 80 -1.220 -16.421 -14.187 1.00 70.41 H new ATOM 0 HD12 LEU A 80 0.195 -17.245 -14.884 1.00 70.41 H new ATOM 0 HD13 LEU A 80 -1.082 -16.613 -15.951 1.00 70.41 H new ATOM 0 HD21 LEU A 80 -3.428 -17.525 -14.162 1.00 31.41 H new ATOM 0 HD22 LEU A 80 -3.394 -17.781 -15.923 1.00 31.41 H new ATOM 0 HD23 LEU A 80 -3.625 -19.164 -14.827 1.00 31.41 H new ATOM 1301 N ALA A 81 0.455 -21.461 -14.264 1.00 1.52 N ATOM 1302 CA ALA A 81 0.795 -22.041 -12.971 1.00 62.52 C ATOM 1303 C ALA A 81 2.309 -22.050 -12.760 1.00 3.44 C ATOM 1304 O ALA A 81 2.826 -21.289 -11.946 1.00 43.30 O ATOM 1305 CB ALA A 81 0.231 -23.454 -12.861 1.00 31.22 C ATOM 0 H ALA A 81 -0.023 -22.105 -14.894 1.00 1.52 H new ATOM 0 HA ALA A 81 0.348 -21.425 -12.190 1.00 62.52 H new ATOM 0 HB1 ALA A 81 0.492 -23.876 -11.890 1.00 31.22 H new ATOM 0 HB2 ALA A 81 -0.854 -23.422 -12.962 1.00 31.22 H new ATOM 0 HB3 ALA A 81 0.651 -24.076 -13.652 1.00 31.22 H new ATOM 1311 N TRP A 82 3.018 -22.880 -13.528 1.00 74.25 N ATOM 1312 CA TRP A 82 4.468 -22.999 -13.380 1.00 15.44 C ATOM 1313 C TRP A 82 5.175 -21.641 -13.503 1.00 0.51 C ATOM 1314 O TRP A 82 5.889 -21.236 -12.596 1.00 62.23 O ATOM 1315 CB TRP A 82 5.058 -23.973 -14.413 1.00 43.33 C ATOM 1316 CG TRP A 82 6.554 -24.102 -14.295 1.00 63.43 C ATOM 1317 CD1 TRP A 82 7.497 -23.340 -14.928 1.00 63.04 C ATOM 1318 CD2 TRP A 82 7.276 -25.031 -13.479 1.00 23.30 C ATOM 1319 NE1 TRP A 82 8.756 -23.732 -14.547 1.00 63.11 N ATOM 1320 CE2 TRP A 82 8.649 -24.773 -13.663 1.00 33.43 C ATOM 1321 CE3 TRP A 82 6.896 -26.056 -12.610 1.00 12.45 C ATOM 1322 CZ2 TRP A 82 9.639 -25.504 -13.008 1.00 50.51 C ATOM 1323 CZ3 TRP A 82 7.879 -26.780 -11.963 1.00 23.20 C ATOM 1324 CH2 TRP A 82 9.237 -26.502 -12.163 1.00 31.31 C ATOM 0 H TRP A 82 2.615 -23.474 -14.252 1.00 74.25 H new ATOM 0 HA TRP A 82 4.641 -23.389 -12.377 1.00 15.44 H new ATOM 0 HB2 TRP A 82 4.601 -24.954 -14.285 1.00 43.33 H new ATOM 0 HB3 TRP A 82 4.804 -23.631 -15.416 1.00 43.33 H new ATOM 0 HD1 TRP A 82 7.282 -22.545 -15.627 1.00 63.04 H new ATOM 0 HE1 TRP A 82 9.630 -23.316 -14.870 1.00 63.11 H new ATOM 0 HE3 TRP A 82 5.852 -26.279 -12.447 1.00 12.45 H new ATOM 0 HZ2 TRP A 82 10.686 -25.290 -13.162 1.00 50.51 H new ATOM 0 HZ3 TRP A 82 7.595 -27.576 -11.290 1.00 23.20 H new ATOM 0 HH2 TRP A 82 9.980 -27.086 -11.641 1.00 31.31 H new ATOM 1335 N HIS A 83 4.953 -20.929 -14.612 1.00 32.22 N ATOM 1336 CA HIS A 83 5.764 -19.747 -14.941 1.00 42.54 C ATOM 1337 C HIS A 83 5.455 -18.518 -14.068 1.00 62.42 C ATOM 1338 O HIS A 83 6.376 -17.819 -13.655 1.00 71.32 O ATOM 1339 CB HIS A 83 5.640 -19.402 -16.428 1.00 62.33 C ATOM 1340 CG HIS A 83 6.280 -20.420 -17.321 1.00 60.40 C ATOM 1341 ND1 HIS A 83 7.643 -20.611 -17.378 1.00 41.21 N ATOM 1342 CD2 HIS A 83 5.746 -21.306 -18.194 1.00 43.04 C ATOM 1343 CE1 HIS A 83 7.919 -21.560 -18.244 1.00 34.55 C ATOM 1344 NE2 HIS A 83 6.789 -22.001 -18.755 1.00 43.12 N ATOM 0 H HIS A 83 4.226 -21.146 -15.293 1.00 32.22 H new ATOM 0 HA HIS A 83 6.796 -20.020 -14.718 1.00 42.54 H new ATOM 0 HB2 HIS A 83 4.585 -19.311 -16.687 1.00 62.33 H new ATOM 0 HB3 HIS A 83 6.098 -18.429 -16.609 1.00 62.33 H new ATOM 0 HD1 HIS A 83 8.332 -20.095 -16.832 1.00 41.21 H new ATOM 0 HD2 HIS A 83 4.696 -21.441 -18.409 1.00 43.04 H new ATOM 0 HE1 HIS A 83 8.907 -21.918 -18.494 1.00 34.55 H new ATOM 1353 N PHE A 84 4.183 -18.238 -13.768 1.00 23.41 N ATOM 1354 CA PHE A 84 3.871 -17.088 -12.900 1.00 63.12 C ATOM 1355 C PHE A 84 4.336 -17.376 -11.462 1.00 35.21 C ATOM 1356 O PHE A 84 4.845 -16.495 -10.763 1.00 50.41 O ATOM 1357 CB PHE A 84 2.374 -16.746 -12.929 1.00 52.03 C ATOM 1358 CG PHE A 84 2.065 -15.352 -12.426 1.00 10.02 C ATOM 1359 CD1 PHE A 84 2.125 -14.263 -13.287 1.00 42.24 C ATOM 1360 CD2 PHE A 84 1.720 -15.129 -11.101 1.00 64.53 C ATOM 1361 CE1 PHE A 84 1.847 -12.985 -12.840 1.00 51.12 C ATOM 1362 CE2 PHE A 84 1.442 -13.851 -10.648 1.00 11.20 C ATOM 1363 CZ PHE A 84 1.504 -12.778 -11.518 1.00 53.44 C ATOM 0 H PHE A 84 3.376 -18.767 -14.097 1.00 23.41 H new ATOM 0 HA PHE A 84 4.408 -16.220 -13.281 1.00 63.12 H new ATOM 0 HB2 PHE A 84 2.006 -16.845 -13.950 1.00 52.03 H new ATOM 0 HB3 PHE A 84 1.832 -17.471 -12.323 1.00 52.03 H new ATOM 0 HD1 PHE A 84 2.393 -14.418 -14.322 1.00 42.24 H new ATOM 0 HD2 PHE A 84 1.668 -15.962 -10.415 1.00 64.53 H new ATOM 0 HE1 PHE A 84 1.898 -12.150 -13.523 1.00 51.12 H new ATOM 0 HE2 PHE A 84 1.176 -13.692 -9.613 1.00 11.20 H new ATOM 0 HZ PHE A 84 1.285 -11.781 -11.165 1.00 53.44 H new ATOM 1373 N LYS A 85 4.178 -18.631 -11.030 1.00 24.22 N ATOM 1374 CA LYS A 85 4.734 -19.074 -9.749 1.00 14.00 C ATOM 1375 C LYS A 85 6.269 -19.168 -9.834 1.00 11.04 C ATOM 1376 O LYS A 85 6.962 -19.025 -8.834 1.00 55.00 O ATOM 1377 CB LYS A 85 4.124 -20.425 -9.312 1.00 43.21 C ATOM 1378 CG LYS A 85 3.052 -20.308 -8.219 1.00 55.14 C ATOM 1379 CD LYS A 85 1.794 -19.567 -8.680 1.00 13.23 C ATOM 1380 CE LYS A 85 0.948 -20.399 -9.639 1.00 55.43 C ATOM 1381 NZ LYS A 85 -0.353 -19.741 -9.955 1.00 21.43 N ATOM 0 H LYS A 85 3.673 -19.353 -11.545 1.00 24.22 H new ATOM 0 HA LYS A 85 4.474 -18.334 -8.992 1.00 14.00 H new ATOM 0 HB2 LYS A 85 3.687 -20.912 -10.183 1.00 43.21 H new ATOM 0 HB3 LYS A 85 4.924 -21.073 -8.953 1.00 43.21 H new ATOM 0 HG2 LYS A 85 2.774 -21.307 -7.884 1.00 55.14 H new ATOM 0 HG3 LYS A 85 3.476 -19.790 -7.359 1.00 55.14 H new ATOM 0 HD2 LYS A 85 1.194 -19.299 -7.810 1.00 13.23 H new ATOM 0 HD3 LYS A 85 2.082 -18.636 -9.168 1.00 13.23 H new ATOM 0 HE2 LYS A 85 1.504 -20.564 -10.562 1.00 55.43 H new ATOM 0 HE3 LYS A 85 0.761 -21.379 -9.200 1.00 55.43 H new ATOM 0 HZ1 LYS A 85 -0.910 -20.356 -10.582 1.00 21.43 H new ATOM 0 HZ2 LYS A 85 -0.881 -19.575 -9.075 1.00 21.43 H new ATOM 0 HZ3 LYS A 85 -0.176 -18.832 -10.429 1.00 21.43 H new ATOM 1395 N GLU A 86 6.785 -19.400 -11.039 1.00 51.11 N ATOM 1396 CA GLU A 86 8.234 -19.398 -11.290 1.00 73.41 C ATOM 1397 C GLU A 86 8.802 -17.976 -11.192 1.00 13.14 C ATOM 1398 O GLU A 86 9.927 -17.768 -10.741 1.00 22.25 O ATOM 1399 CB GLU A 86 8.526 -20.000 -12.677 1.00 64.13 C ATOM 1400 CG GLU A 86 9.985 -19.944 -13.117 1.00 75.22 C ATOM 1401 CD GLU A 86 10.201 -20.613 -14.469 1.00 23.32 C ATOM 1402 OE1 GLU A 86 9.627 -20.136 -15.475 1.00 11.51 O ATOM 1403 OE2 GLU A 86 10.936 -21.622 -14.529 1.00 54.34 O ATOM 0 H GLU A 86 6.220 -19.594 -11.866 1.00 51.11 H new ATOM 0 HA GLU A 86 8.720 -20.009 -10.529 1.00 73.41 H new ATOM 0 HB2 GLU A 86 8.203 -21.041 -12.679 1.00 64.13 H new ATOM 0 HB3 GLU A 86 7.920 -19.477 -13.417 1.00 64.13 H new ATOM 0 HG2 GLU A 86 10.307 -18.904 -13.172 1.00 75.22 H new ATOM 0 HG3 GLU A 86 10.608 -20.432 -12.368 1.00 75.22 H new ATOM 1410 N PHE A 87 8.002 -17.003 -11.605 1.00 13.12 N ATOM 1411 CA PHE A 87 8.393 -15.594 -11.565 1.00 52.15 C ATOM 1412 C PHE A 87 8.510 -15.078 -10.117 1.00 22.44 C ATOM 1413 O PHE A 87 9.517 -14.480 -9.739 1.00 1.40 O ATOM 1414 CB PHE A 87 7.361 -14.770 -12.352 1.00 40.30 C ATOM 1415 CG PHE A 87 7.790 -13.358 -12.672 1.00 31.31 C ATOM 1416 CD1 PHE A 87 8.796 -13.121 -13.600 1.00 51.44 C ATOM 1417 CD2 PHE A 87 7.180 -12.271 -12.063 1.00 64.11 C ATOM 1418 CE1 PHE A 87 9.182 -11.832 -13.911 1.00 53.32 C ATOM 1419 CE2 PHE A 87 7.564 -10.980 -12.371 1.00 43.52 C ATOM 1420 CZ PHE A 87 8.566 -10.761 -13.296 1.00 2.00 C ATOM 0 H PHE A 87 7.066 -17.163 -11.977 1.00 13.12 H new ATOM 0 HA PHE A 87 9.377 -15.488 -12.021 1.00 52.15 H new ATOM 0 HB2 PHE A 87 7.139 -15.288 -13.285 1.00 40.30 H new ATOM 0 HB3 PHE A 87 6.434 -14.732 -11.780 1.00 40.30 H new ATOM 0 HD1 PHE A 87 9.282 -13.955 -14.084 1.00 51.44 H new ATOM 0 HD2 PHE A 87 6.395 -12.436 -11.339 1.00 64.11 H new ATOM 0 HE1 PHE A 87 9.965 -11.662 -14.635 1.00 53.32 H new ATOM 0 HE2 PHE A 87 7.081 -10.143 -11.889 1.00 43.52 H new ATOM 0 HZ PHE A 87 8.867 -9.752 -13.538 1.00 2.00 H new ATOM 1430 N CYS A 88 7.465 -15.298 -9.313 1.00 73.34 N ATOM 1431 CA CYS A 88 7.441 -14.804 -7.920 1.00 64.25 C ATOM 1432 C CYS A 88 7.618 -15.915 -6.858 1.00 25.40 C ATOM 1433 O CYS A 88 8.403 -15.775 -5.926 1.00 11.31 O ATOM 1434 CB CYS A 88 6.129 -14.056 -7.658 1.00 42.43 C ATOM 1435 SG CYS A 88 5.891 -12.589 -8.693 1.00 73.24 S ATOM 0 H CYS A 88 6.628 -15.810 -9.593 1.00 73.34 H new ATOM 0 HA CYS A 88 8.298 -14.138 -7.820 1.00 64.25 H new ATOM 0 HB2 CYS A 88 5.296 -14.740 -7.819 1.00 42.43 H new ATOM 0 HB3 CYS A 88 6.097 -13.757 -6.610 1.00 42.43 H new ATOM 0 HG CYS A 88 4.755 -12.029 -8.398 1.00 73.24 H new ATOM 1441 N TYR A 89 6.883 -17.015 -6.995 1.00 43.11 N ATOM 1442 CA TYR A 89 6.793 -18.036 -5.926 1.00 41.13 C ATOM 1443 C TYR A 89 7.947 -19.065 -5.975 1.00 23.52 C ATOM 1444 O TYR A 89 8.059 -19.933 -5.104 1.00 43.34 O ATOM 1445 CB TYR A 89 5.431 -18.746 -6.036 1.00 30.20 C ATOM 1446 CG TYR A 89 5.138 -19.766 -4.947 1.00 22.12 C ATOM 1447 CD1 TYR A 89 4.746 -19.362 -3.675 1.00 12.22 C ATOM 1448 CD2 TYR A 89 5.236 -21.131 -5.199 1.00 11.41 C ATOM 1449 CE1 TYR A 89 4.464 -20.286 -2.688 1.00 75.32 C ATOM 1450 CE2 TYR A 89 4.959 -22.059 -4.216 1.00 20.44 C ATOM 1451 CZ TYR A 89 4.573 -21.632 -2.963 1.00 53.34 C ATOM 1452 OH TYR A 89 4.290 -22.556 -1.980 1.00 13.43 O ATOM 0 H TYR A 89 6.338 -17.233 -7.829 1.00 43.11 H new ATOM 0 HA TYR A 89 6.883 -17.528 -4.966 1.00 41.13 H new ATOM 0 HB2 TYR A 89 4.645 -17.991 -6.024 1.00 30.20 H new ATOM 0 HB3 TYR A 89 5.378 -19.246 -7.003 1.00 30.20 H new ATOM 0 HD1 TYR A 89 4.661 -18.308 -3.455 1.00 12.22 H new ATOM 0 HD2 TYR A 89 5.534 -21.470 -6.180 1.00 11.41 H new ATOM 0 HE1 TYR A 89 4.160 -19.955 -1.706 1.00 75.32 H new ATOM 0 HE2 TYR A 89 5.044 -23.115 -4.427 1.00 20.44 H new ATOM 0 HH TYR A 89 4.414 -23.461 -2.336 1.00 13.43 H new ATOM 1462 N LYS A 90 8.805 -18.960 -6.984 1.00 1.12 N ATOM 1463 CA LYS A 90 9.889 -19.929 -7.192 1.00 51.32 C ATOM 1464 C LYS A 90 11.012 -19.740 -6.158 1.00 32.23 C ATOM 1465 O LYS A 90 11.909 -18.922 -6.339 1.00 43.14 O ATOM 1466 CB LYS A 90 10.428 -19.778 -8.623 1.00 45.50 C ATOM 1467 CG LYS A 90 11.067 -21.029 -9.219 1.00 3.14 C ATOM 1468 CD LYS A 90 12.523 -21.189 -8.808 1.00 62.34 C ATOM 1469 CE LYS A 90 13.165 -22.366 -9.523 1.00 23.42 C ATOM 1470 NZ LYS A 90 14.620 -22.450 -9.258 1.00 35.34 N ATOM 0 H LYS A 90 8.775 -18.212 -7.677 1.00 1.12 H new ATOM 0 HA LYS A 90 9.497 -20.937 -7.058 1.00 51.32 H new ATOM 0 HB2 LYS A 90 9.608 -19.466 -9.270 1.00 45.50 H new ATOM 0 HB3 LYS A 90 11.165 -18.975 -8.632 1.00 45.50 H new ATOM 0 HG2 LYS A 90 10.504 -21.907 -8.902 1.00 3.14 H new ATOM 0 HG3 LYS A 90 11.002 -20.984 -10.306 1.00 3.14 H new ATOM 0 HD2 LYS A 90 13.072 -20.276 -9.038 1.00 62.34 H new ATOM 0 HD3 LYS A 90 12.586 -21.336 -7.730 1.00 62.34 H new ATOM 0 HE2 LYS A 90 12.684 -23.290 -9.203 1.00 23.42 H new ATOM 0 HE3 LYS A 90 12.997 -22.274 -10.596 1.00 23.42 H new ATOM 0 HZ1 LYS A 90 15.129 -22.580 -10.155 1.00 35.34 H new ATOM 0 HZ2 LYS A 90 14.941 -21.572 -8.802 1.00 35.34 H new ATOM 0 HZ3 LYS A 90 14.813 -23.257 -8.631 1.00 35.34 H new ATOM 1484 N THR A 91 10.946 -20.500 -5.068 1.00 13.13 N ATOM 1485 CA THR A 91 11.913 -20.365 -3.973 1.00 62.53 C ATOM 1486 C THR A 91 13.143 -21.256 -4.181 1.00 54.32 C ATOM 1487 O THR A 91 13.119 -22.452 -3.880 1.00 41.35 O ATOM 1488 CB THR A 91 11.272 -20.708 -2.608 1.00 60.41 C ATOM 1489 OG1 THR A 91 10.787 -22.063 -2.613 1.00 22.02 O ATOM 1490 CG2 THR A 91 10.124 -19.757 -2.287 1.00 72.32 C ATOM 0 H THR A 91 10.235 -21.216 -4.916 1.00 13.13 H new ATOM 0 HA THR A 91 12.229 -19.322 -3.974 1.00 62.53 H new ATOM 0 HB THR A 91 12.039 -20.599 -1.841 1.00 60.41 H new ATOM 0 HG1 THR A 91 11.433 -22.640 -3.072 1.00 22.02 H new ATOM 0 HG21 THR A 91 9.692 -20.021 -1.322 1.00 72.32 H new ATOM 0 HG22 THR A 91 10.499 -18.734 -2.249 1.00 72.32 H new ATOM 0 HG23 THR A 91 9.360 -19.835 -3.060 1.00 72.32 H new ATOM 1498 N SER A 92 14.206 -20.674 -4.729 1.00 1.20 N ATOM 1499 CA SER A 92 15.483 -21.384 -4.902 1.00 52.21 C ATOM 1500 C SER A 92 16.653 -20.572 -4.338 1.00 74.14 C ATOM 1501 O SER A 92 16.939 -19.469 -4.802 1.00 41.51 O ATOM 1502 CB SER A 92 15.730 -21.711 -6.379 1.00 15.11 C ATOM 1503 OG SER A 92 15.523 -20.581 -7.219 1.00 10.45 O ATOM 0 H SER A 92 14.215 -19.710 -5.064 1.00 1.20 H new ATOM 0 HA SER A 92 15.416 -22.318 -4.344 1.00 52.21 H new ATOM 0 HB2 SER A 92 16.750 -22.073 -6.504 1.00 15.11 H new ATOM 0 HB3 SER A 92 15.065 -22.518 -6.687 1.00 15.11 H new ATOM 0 HG SER A 92 15.902 -19.783 -6.794 1.00 10.45 H new ATOM 1509 N ALA A 93 17.338 -21.133 -3.343 1.00 55.01 N ATOM 1510 CA ALA A 93 18.437 -20.438 -2.669 1.00 72.24 C ATOM 1511 C ALA A 93 19.707 -20.378 -3.535 1.00 43.04 C ATOM 1512 O ALA A 93 20.670 -21.112 -3.295 1.00 3.14 O ATOM 1513 CB ALA A 93 18.734 -21.103 -1.328 1.00 21.12 C ATOM 0 H ALA A 93 17.152 -22.069 -2.984 1.00 55.01 H new ATOM 0 HA ALA A 93 18.119 -19.410 -2.499 1.00 72.24 H new ATOM 0 HB1 ALA A 93 19.553 -20.579 -0.835 1.00 21.12 H new ATOM 0 HB2 ALA A 93 17.846 -21.063 -0.697 1.00 21.12 H new ATOM 0 HB3 ALA A 93 19.016 -22.143 -1.492 1.00 21.12 H new