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 44 TYR OH : rot 28:sc= 1.21 USER MOD Set 1.2: A 83 HIS : no HE2:sc= -1.56! C(o=-0.35!,f=-11!) USER MOD Set 2.1: A 36 LYS NZ :NH3+ 175:sc= 0.936 (180deg=-0.143) USER MOD Set 2.2: A 43 TYR OH : rot 40:sc= -0.944! USER MOD Set 3.1: A 11 GLN : amide:sc= -4.04! X(o=-3.9!,f=-3.9) USER MOD Set 3.2: A 19 TYR OH : rot 180:sc= 0.123 USER MOD Set 4.1: A 8 LYS NZ :NH3+ -120:sc= 1.07 (180deg=0.0176) USER MOD Set 4.2: A 88 CYS SG : rot 95:sc= 1.01 USER MOD Set 5.1: A 4 MET CE :methyl 158:sc= 0 (180deg=0) USER MOD Set 5.2: A 21 SER OG : rot 140:sc= 0 USER MOD Single : A 2 SER OG : rot 31:sc= 0.0142 USER MOD Single : A 5 GLN : amide:sc= -0.158 X(o=-0.16,f=-0.15) USER MOD Single : A 6 ASN : amide:sc= -0.535 K(o=-0.53,f=0) USER MOD Single : A 9 ASN : amide:sc= -2.24 K(o=-2.2,f=-8.8!) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 HIS : no HD1:sc= -1 K(o=-1,f=-0.29) USER MOD Single : A 17 SER OG : rot 84:sc= 0.797 USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= -0.182 K(o=-0.18,f=-2.4!) 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= -0.976 K(o=-0.98,f=-0.11) USER MOD Single : A 34 THR OG1 : rot 127:sc= 2.03 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.948 USER MOD Single : A 72 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0307) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -164:sc= -0.0513 (180deg=-0.348) USER MOD Single : A 85 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0494) 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 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N SER A 2 -2.480 -7.644 -0.269 1.00 70.13 N ATOM 21 CA SER A 2 -2.033 -6.528 -1.123 1.00 32.33 C ATOM 22 C SER A 2 -2.721 -6.503 -2.502 1.00 42.03 C ATOM 23 O SER A 2 -3.085 -7.544 -3.069 1.00 63.10 O ATOM 24 CB SER A 2 -0.511 -6.585 -1.313 1.00 15.20 C ATOM 25 OG SER A 2 0.173 -6.393 -0.081 1.00 2.21 O ATOM 0 HA SER A 2 -2.318 -5.612 -0.606 1.00 32.33 H new ATOM 0 HB2 SER A 2 -0.232 -7.548 -1.740 1.00 15.20 H new ATOM 0 HB3 SER A 2 -0.203 -5.820 -2.025 1.00 15.20 H new ATOM 0 HG SER A 2 -0.369 -6.750 0.653 1.00 2.21 H new ATOM 31 N TRP A 3 -2.871 -5.293 -3.047 1.00 73.34 N ATOM 32 CA TRP A 3 -3.461 -5.099 -4.380 1.00 13.50 C ATOM 33 C TRP A 3 -2.662 -5.845 -5.457 1.00 15.13 C ATOM 34 O TRP A 3 -3.233 -6.378 -6.410 1.00 40.31 O ATOM 35 CB TRP A 3 -3.528 -3.603 -4.725 1.00 22.20 C ATOM 36 CG TRP A 3 -4.403 -2.803 -3.803 1.00 23.44 C ATOM 37 CD1 TRP A 3 -4.057 -2.280 -2.590 1.00 11.45 C ATOM 38 CD2 TRP A 3 -5.767 -2.429 -4.025 1.00 42.22 C ATOM 39 NE1 TRP A 3 -5.121 -1.608 -2.045 1.00 41.10 N ATOM 40 CE2 TRP A 3 -6.183 -1.685 -2.905 1.00 62.04 C ATOM 41 CE3 TRP A 3 -6.677 -2.654 -5.061 1.00 60.10 C ATOM 42 CZ2 TRP A 3 -7.467 -1.161 -2.793 1.00 62.13 C ATOM 43 CZ3 TRP A 3 -7.953 -2.133 -4.949 1.00 5.32 C ATOM 44 CH2 TRP A 3 -8.339 -1.395 -3.821 1.00 32.52 C ATOM 0 H TRP A 3 -2.591 -4.427 -2.585 1.00 73.34 H new ATOM 0 HA TRP A 3 -4.471 -5.508 -4.357 1.00 13.50 H new ATOM 0 HB2 TRP A 3 -2.520 -3.190 -4.702 1.00 22.20 H new ATOM 0 HB3 TRP A 3 -3.895 -3.492 -5.745 1.00 22.20 H new ATOM 0 HD1 TRP A 3 -3.086 -2.381 -2.127 1.00 11.45 H new ATOM 0 HE1 TRP A 3 -5.121 -1.129 -1.145 1.00 41.10 H new ATOM 0 HE3 TRP A 3 -6.389 -3.224 -5.932 1.00 60.10 H new ATOM 0 HZ2 TRP A 3 -7.765 -0.590 -1.926 1.00 62.13 H new ATOM 0 HZ3 TRP A 3 -8.665 -2.297 -5.744 1.00 5.32 H new ATOM 0 HH2 TRP A 3 -9.344 -1.004 -3.763 1.00 32.52 H new ATOM 55 N MET A 4 -1.340 -5.886 -5.287 1.00 33.34 N ATOM 56 CA MET A 4 -0.453 -6.618 -6.201 1.00 33.34 C ATOM 57 C MET A 4 -0.974 -8.042 -6.442 1.00 64.44 C ATOM 58 O MET A 4 -0.988 -8.531 -7.566 1.00 33.21 O ATOM 59 CB MET A 4 0.971 -6.680 -5.630 1.00 73.30 C ATOM 60 CG MET A 4 1.546 -5.325 -5.234 1.00 21.34 C ATOM 61 SD MET A 4 0.747 -4.636 -3.767 1.00 24.11 S ATOM 62 CE MET A 4 1.615 -3.077 -3.608 1.00 44.23 C ATOM 0 H MET A 4 -0.855 -5.419 -4.521 1.00 33.34 H new ATOM 0 HA MET A 4 -0.435 -6.085 -7.152 1.00 33.34 H new ATOM 0 HB2 MET A 4 0.972 -7.332 -4.756 1.00 73.30 H new ATOM 0 HB3 MET A 4 1.627 -7.138 -6.370 1.00 73.30 H new ATOM 0 HG2 MET A 4 2.615 -5.428 -5.047 1.00 21.34 H new ATOM 0 HG3 MET A 4 1.434 -4.629 -6.066 1.00 21.34 H new ATOM 0 HE1 MET A 4 1.009 -2.381 -3.028 1.00 44.23 H new ATOM 0 HE2 MET A 4 2.566 -3.240 -3.101 1.00 44.23 H new ATOM 0 HE3 MET A 4 1.798 -2.660 -4.598 1.00 44.23 H new ATOM 72 N GLN A 5 -1.397 -8.693 -5.364 1.00 45.14 N ATOM 73 CA GLN A 5 -2.039 -10.009 -5.434 1.00 71.35 C ATOM 74 C GLN A 5 -3.348 -9.944 -6.235 1.00 33.24 C ATOM 75 O GLN A 5 -3.551 -10.707 -7.191 1.00 42.34 O ATOM 76 CB GLN A 5 -2.324 -10.496 -4.011 1.00 12.52 C ATOM 77 CG GLN A 5 -1.069 -10.614 -3.156 1.00 4.43 C ATOM 78 CD GLN A 5 -1.347 -10.521 -1.666 1.00 63.22 C ATOM 79 OE1 GLN A 5 -2.415 -10.886 -1.186 1.00 50.12 O ATOM 80 NE2 GLN A 5 -0.392 -10.004 -0.927 1.00 13.21 N ATOM 0 H GLN A 5 -1.307 -8.327 -4.416 1.00 45.14 H new ATOM 0 HA GLN A 5 -1.369 -10.703 -5.942 1.00 71.35 H new ATOM 0 HB2 GLN A 5 -3.020 -9.808 -3.531 1.00 12.52 H new ATOM 0 HB3 GLN A 5 -2.817 -11.467 -4.058 1.00 12.52 H new ATOM 0 HG2 GLN A 5 -0.581 -11.565 -3.369 1.00 4.43 H new ATOM 0 HG3 GLN A 5 -0.370 -9.827 -3.438 1.00 4.43 H new ATOM 0 HE21 GLN A 5 0.484 -9.711 -1.358 1.00 13.21 H new ATOM 0 HE22 GLN A 5 -0.527 -9.896 0.078 1.00 13.21 H new ATOM 89 N ASN A 6 -4.227 -9.013 -5.841 1.00 51.10 N ATOM 90 CA ASN A 6 -5.530 -8.831 -6.507 1.00 65.35 C ATOM 91 C ASN A 6 -5.381 -8.697 -8.036 1.00 11.33 C ATOM 92 O ASN A 6 -6.183 -9.242 -8.795 1.00 60.11 O ATOM 93 CB ASN A 6 -6.254 -7.601 -5.937 1.00 33.12 C ATOM 94 CG ASN A 6 -7.609 -7.346 -6.587 1.00 21.43 C ATOM 95 OD1 ASN A 6 -8.030 -6.206 -6.740 1.00 53.23 O ATOM 96 ND2 ASN A 6 -8.310 -8.399 -6.967 1.00 63.22 N ATOM 0 H ASN A 6 -4.062 -8.372 -5.064 1.00 51.10 H new ATOM 0 HA ASN A 6 -6.125 -9.723 -6.310 1.00 65.35 H new ATOM 0 HB2 ASN A 6 -6.392 -7.734 -4.864 1.00 33.12 H new ATOM 0 HB3 ASN A 6 -5.623 -6.722 -6.070 1.00 33.12 H new ATOM 0 HD21 ASN A 6 -9.225 -8.273 -7.399 1.00 63.22 H new ATOM 0 HD22 ASN A 6 -7.936 -9.338 -6.828 1.00 63.22 H new ATOM 103 N LEU A 7 -4.352 -7.981 -8.481 1.00 33.54 N ATOM 104 CA LEU A 7 -4.095 -7.817 -9.917 1.00 62.12 C ATOM 105 C LEU A 7 -3.204 -8.941 -10.481 1.00 53.14 C ATOM 106 O LEU A 7 -3.277 -9.250 -11.672 1.00 22.31 O ATOM 107 CB LEU A 7 -3.471 -6.441 -10.211 1.00 15.05 C ATOM 108 CG LEU A 7 -4.440 -5.242 -10.130 1.00 51.35 C ATOM 109 CD1 LEU A 7 -4.897 -4.985 -8.694 1.00 31.40 C ATOM 110 CD2 LEU A 7 -3.799 -3.990 -10.725 1.00 64.52 C ATOM 0 H LEU A 7 -3.683 -7.506 -7.875 1.00 33.54 H new ATOM 0 HA LEU A 7 -5.060 -7.880 -10.420 1.00 62.12 H new ATOM 0 HB2 LEU A 7 -2.654 -6.274 -9.509 1.00 15.05 H new ATOM 0 HB3 LEU A 7 -3.033 -6.466 -11.209 1.00 15.05 H new ATOM 0 HG LEU A 7 -5.324 -5.491 -10.717 1.00 51.35 H new ATOM 0 HD11 LEU A 7 -5.578 -4.134 -8.676 1.00 31.40 H new ATOM 0 HD12 LEU A 7 -5.409 -5.868 -8.312 1.00 31.40 H new ATOM 0 HD13 LEU A 7 -4.030 -4.770 -8.069 1.00 31.40 H new ATOM 0 HD21 LEU A 7 -4.498 -3.156 -10.658 1.00 64.52 H new ATOM 0 HD22 LEU A 7 -2.892 -3.748 -10.172 1.00 64.52 H new ATOM 0 HD23 LEU A 7 -3.549 -4.171 -11.770 1.00 64.52 H new ATOM 122 N LYS A 8 -2.377 -9.564 -9.630 1.00 41.12 N ATOM 123 CA LYS A 8 -1.489 -10.653 -10.079 1.00 13.33 C ATOM 124 C LYS A 8 -2.287 -11.814 -10.685 1.00 20.01 C ATOM 125 O LYS A 8 -1.793 -12.508 -11.572 1.00 40.23 O ATOM 126 CB LYS A 8 -0.617 -11.197 -8.935 1.00 54.05 C ATOM 127 CG LYS A 8 0.398 -12.241 -9.409 1.00 10.05 C ATOM 128 CD LYS A 8 1.070 -12.982 -8.258 1.00 3.34 C ATOM 129 CE LYS A 8 2.108 -13.978 -8.773 1.00 70.50 C ATOM 130 NZ LYS A 8 2.662 -14.834 -7.689 1.00 54.13 N ATOM 0 H LYS A 8 -2.302 -9.339 -8.638 1.00 41.12 H new ATOM 0 HA LYS A 8 -0.841 -10.219 -10.841 1.00 13.33 H new ATOM 0 HB2 LYS A 8 -0.087 -10.370 -8.463 1.00 54.05 H new ATOM 0 HB3 LYS A 8 -1.259 -11.640 -8.174 1.00 54.05 H new ATOM 0 HG2 LYS A 8 -0.104 -12.962 -10.054 1.00 10.05 H new ATOM 0 HG3 LYS A 8 1.161 -11.750 -10.013 1.00 10.05 H new ATOM 0 HD2 LYS A 8 1.549 -12.265 -7.591 1.00 3.34 H new ATOM 0 HD3 LYS A 8 0.317 -13.508 -7.672 1.00 3.34 H new ATOM 0 HE2 LYS A 8 1.653 -14.611 -9.535 1.00 70.50 H new ATOM 0 HE3 LYS A 8 2.921 -13.435 -9.254 1.00 70.50 H new ATOM 0 HZ1 LYS A 8 3.690 -14.693 -7.627 1.00 54.13 H new ATOM 0 HZ2 LYS A 8 2.221 -14.576 -6.783 1.00 54.13 H new ATOM 0 HZ3 LYS A 8 2.462 -15.833 -7.899 1.00 54.13 H new ATOM 144 N ASN A 9 -3.506 -12.041 -10.177 1.00 2.35 N ATOM 145 CA ASN A 9 -4.412 -13.056 -10.753 1.00 24.13 C ATOM 146 C ASN A 9 -4.401 -13.005 -12.291 1.00 10.02 C ATOM 147 O ASN A 9 -4.316 -14.037 -12.958 1.00 1.41 O ATOM 148 CB ASN A 9 -5.843 -12.853 -10.242 1.00 62.14 C ATOM 149 CG ASN A 9 -5.935 -12.971 -8.735 1.00 43.01 C ATOM 150 OD1 ASN A 9 -6.119 -14.051 -8.192 1.00 22.15 O ATOM 151 ND2 ASN A 9 -5.816 -11.862 -8.046 1.00 2.35 N ATOM 0 H ASN A 9 -3.890 -11.542 -9.374 1.00 2.35 H new ATOM 0 HA ASN A 9 -4.053 -14.035 -10.436 1.00 24.13 H new ATOM 0 HB2 ASN A 9 -6.201 -11.871 -10.550 1.00 62.14 H new ATOM 0 HB3 ASN A 9 -6.500 -13.591 -10.703 1.00 62.14 H new ATOM 0 HD21 ASN A 9 -5.876 -11.885 -7.028 1.00 2.35 H new ATOM 0 HD22 ASN A 9 -5.663 -10.976 -8.528 1.00 2.35 H new ATOM 158 N TYR A 10 -4.492 -11.786 -12.827 1.00 50.31 N ATOM 159 CA TYR A 10 -4.331 -11.530 -14.264 1.00 44.33 C ATOM 160 C TYR A 10 -4.553 -10.043 -14.575 1.00 33.13 C ATOM 161 O TYR A 10 -5.538 -9.443 -14.140 1.00 74.25 O ATOM 162 CB TYR A 10 -5.288 -12.388 -15.122 1.00 25.13 C ATOM 163 CG TYR A 10 -6.757 -11.998 -15.031 1.00 53.12 C ATOM 164 CD1 TYR A 10 -7.293 -11.031 -15.880 1.00 4.04 C ATOM 165 CD2 TYR A 10 -7.605 -12.601 -14.109 1.00 72.13 C ATOM 166 CE1 TYR A 10 -8.627 -10.680 -15.808 1.00 63.00 C ATOM 167 CE2 TYR A 10 -8.940 -12.252 -14.031 1.00 33.33 C ATOM 168 CZ TYR A 10 -9.445 -11.292 -14.883 1.00 55.22 C ATOM 169 OH TYR A 10 -10.776 -10.945 -14.811 1.00 25.02 O ATOM 0 H TYR A 10 -4.679 -10.947 -12.279 1.00 50.31 H new ATOM 0 HA TYR A 10 -3.310 -11.809 -14.522 1.00 44.33 H new ATOM 0 HB2 TYR A 10 -4.974 -12.324 -16.164 1.00 25.13 H new ATOM 0 HB3 TYR A 10 -5.185 -13.431 -14.822 1.00 25.13 H new ATOM 0 HD1 TYR A 10 -6.655 -10.549 -16.606 1.00 4.04 H new ATOM 0 HD2 TYR A 10 -7.214 -13.355 -13.442 1.00 72.13 H new ATOM 0 HE1 TYR A 10 -9.027 -9.929 -16.474 1.00 63.00 H new ATOM 0 HE2 TYR A 10 -9.584 -12.728 -13.307 1.00 33.33 H new ATOM 0 HH TYR A 10 -11.213 -11.469 -14.108 1.00 25.02 H new ATOM 179 N GLN A 11 -3.633 -9.444 -15.317 1.00 5.31 N ATOM 180 CA GLN A 11 -3.819 -8.078 -15.803 1.00 63.23 C ATOM 181 C GLN A 11 -4.144 -8.083 -17.301 1.00 41.44 C ATOM 182 O GLN A 11 -3.263 -8.283 -18.138 1.00 2.14 O ATOM 183 CB GLN A 11 -2.579 -7.212 -15.519 1.00 24.35 C ATOM 184 CG GLN A 11 -2.341 -6.948 -14.031 1.00 31.31 C ATOM 185 CD GLN A 11 -1.253 -5.915 -13.769 1.00 72.31 C ATOM 186 OE1 GLN A 11 -1.301 -5.177 -12.794 1.00 55.12 O ATOM 187 NE2 GLN A 11 -0.250 -5.864 -14.622 1.00 22.41 N ATOM 0 H GLN A 11 -2.753 -9.877 -15.597 1.00 5.31 H new ATOM 0 HA GLN A 11 -4.660 -7.640 -15.266 1.00 63.23 H new ATOM 0 HB2 GLN A 11 -1.700 -7.703 -15.937 1.00 24.35 H new ATOM 0 HB3 GLN A 11 -2.687 -6.258 -16.035 1.00 24.35 H new ATOM 0 HG2 GLN A 11 -3.272 -6.609 -13.576 1.00 31.31 H new ATOM 0 HG3 GLN A 11 -2.069 -7.884 -13.542 1.00 31.31 H new ATOM 0 HE21 GLN A 11 -0.233 -6.490 -15.427 1.00 22.41 H new ATOM 0 HE22 GLN A 11 0.509 -5.199 -14.477 1.00 22.41 H new ATOM 196 N HIS A 12 -5.425 -7.883 -17.629 1.00 70.24 N ATOM 197 CA HIS A 12 -5.877 -7.830 -19.030 1.00 73.13 C ATOM 198 C HIS A 12 -5.046 -6.825 -19.846 1.00 22.23 C ATOM 199 O HIS A 12 -4.840 -6.998 -21.048 1.00 0.33 O ATOM 200 CB HIS A 12 -7.377 -7.492 -19.099 1.00 75.42 C ATOM 201 CG HIS A 12 -7.792 -6.334 -18.240 1.00 72.10 C ATOM 202 ND1 HIS A 12 -8.359 -6.489 -16.990 1.00 75.02 N ATOM 203 CD2 HIS A 12 -7.726 -4.998 -18.453 1.00 45.05 C ATOM 204 CE1 HIS A 12 -8.619 -5.304 -16.477 1.00 12.05 C ATOM 205 NE2 HIS A 12 -8.245 -4.384 -17.340 1.00 54.50 N ATOM 0 H HIS A 12 -6.171 -7.755 -16.945 1.00 70.24 H new ATOM 0 HA HIS A 12 -5.727 -8.815 -19.472 1.00 73.13 H new ATOM 0 HB2 HIS A 12 -7.640 -7.274 -20.134 1.00 75.42 H new ATOM 0 HB3 HIS A 12 -7.949 -8.371 -18.803 1.00 75.42 H new ATOM 0 HD2 HIS A 12 -7.338 -4.508 -19.333 1.00 45.05 H new ATOM 0 HE1 HIS A 12 -9.064 -5.119 -15.511 1.00 12.05 H new ATOM 0 HE2 HIS A 12 -8.327 -3.376 -17.204 1.00 54.50 H new ATOM 214 N LEU A 13 -4.568 -5.785 -19.170 1.00 21.34 N ATOM 215 CA LEU A 13 -3.613 -4.838 -19.748 1.00 12.31 C ATOM 216 C LEU A 13 -2.395 -4.692 -18.824 1.00 51.44 C ATOM 217 O LEU A 13 -2.542 -4.411 -17.633 1.00 33.51 O ATOM 218 CB LEU A 13 -4.274 -3.469 -19.974 1.00 71.53 C ATOM 219 CG LEU A 13 -5.414 -3.448 -21.008 1.00 60.33 C ATOM 220 CD1 LEU A 13 -6.045 -2.062 -21.087 1.00 25.53 C ATOM 221 CD2 LEU A 13 -4.906 -3.889 -22.382 1.00 14.53 C ATOM 0 H LEU A 13 -4.830 -5.573 -18.207 1.00 21.34 H new ATOM 0 HA LEU A 13 -3.284 -5.223 -20.713 1.00 12.31 H new ATOM 0 HB2 LEU A 13 -4.664 -3.111 -19.021 1.00 71.53 H new ATOM 0 HB3 LEU A 13 -3.507 -2.762 -20.290 1.00 71.53 H new ATOM 0 HG LEU A 13 -6.180 -4.153 -20.685 1.00 60.33 H new ATOM 0 HD11 LEU A 13 -6.848 -2.069 -21.824 1.00 25.53 H new ATOM 0 HD12 LEU A 13 -6.449 -1.790 -20.112 1.00 25.53 H new ATOM 0 HD13 LEU A 13 -5.289 -1.334 -21.382 1.00 25.53 H new ATOM 0 HD21 LEU A 13 -5.728 -3.867 -23.098 1.00 14.53 H new ATOM 0 HD22 LEU A 13 -4.118 -3.212 -22.713 1.00 14.53 H new ATOM 0 HD23 LEU A 13 -4.510 -4.902 -22.315 1.00 14.53 H new ATOM 233 N ARG A 14 -1.204 -4.919 -19.377 1.00 63.25 N ATOM 234 CA ARG A 14 0.062 -4.805 -18.631 1.00 44.21 C ATOM 235 C ARG A 14 0.154 -3.504 -17.791 1.00 21.43 C ATOM 236 O ARG A 14 0.519 -2.443 -18.297 1.00 12.53 O ATOM 237 CB ARG A 14 1.266 -4.894 -19.604 1.00 12.34 C ATOM 238 CG ARG A 14 1.369 -3.740 -20.617 1.00 31.21 C ATOM 239 CD ARG A 14 0.247 -3.760 -21.657 1.00 73.31 C ATOM 240 NE ARG A 14 -0.050 -2.426 -22.183 1.00 4.24 N ATOM 241 CZ ARG A 14 -0.719 -2.201 -23.284 1.00 63.10 C ATOM 242 NH1 ARG A 14 -1.054 -3.178 -24.066 1.00 54.35 N ATOM 243 NH2 ARG A 14 -1.025 -0.988 -23.617 1.00 45.54 N ATOM 0 H ARG A 14 -1.083 -5.187 -20.354 1.00 63.25 H new ATOM 0 HA ARG A 14 0.089 -5.639 -17.929 1.00 44.21 H new ATOM 0 HB2 ARG A 14 2.185 -4.927 -19.019 1.00 12.34 H new ATOM 0 HB3 ARG A 14 1.203 -5.834 -20.152 1.00 12.34 H new ATOM 0 HG2 ARG A 14 1.345 -2.790 -20.082 1.00 31.21 H new ATOM 0 HG3 ARG A 14 2.331 -3.795 -21.126 1.00 31.21 H new ATOM 0 HD2 ARG A 14 0.529 -4.417 -22.479 1.00 73.31 H new ATOM 0 HD3 ARG A 14 -0.653 -4.179 -21.208 1.00 73.31 H new ATOM 0 HE ARG A 14 0.287 -1.620 -21.656 1.00 4.24 H new ATOM 0 HH11 ARG A 14 -0.796 -4.135 -23.826 1.00 54.35 H new ATOM 0 HH12 ARG A 14 -1.576 -2.990 -24.922 1.00 54.35 H new ATOM 0 HH21 ARG A 14 -0.744 -0.209 -23.021 1.00 45.54 H new ATOM 0 HH22 ARG A 14 -1.547 -0.811 -24.475 1.00 45.54 H new ATOM 257 N ASP A 15 -0.205 -3.577 -16.510 1.00 64.03 N ATOM 258 CA ASP A 15 0.003 -2.437 -15.605 1.00 73.31 C ATOM 259 C ASP A 15 1.370 -2.556 -14.900 1.00 41.45 C ATOM 260 O ASP A 15 1.601 -3.494 -14.129 1.00 3.21 O ATOM 261 CB ASP A 15 -1.127 -2.340 -14.566 1.00 2.24 C ATOM 262 CG ASP A 15 -1.208 -0.961 -13.914 1.00 40.23 C ATOM 263 OD1 ASP A 15 -0.151 -0.359 -13.621 1.00 30.45 O ATOM 264 OD2 ASP A 15 -2.334 -0.460 -13.711 1.00 22.43 O ATOM 0 H ASP A 15 -0.634 -4.395 -16.077 1.00 64.03 H new ATOM 0 HA ASP A 15 -0.009 -1.525 -16.202 1.00 73.31 H new ATOM 0 HB2 ASP A 15 -2.078 -2.567 -15.047 1.00 2.24 H new ATOM 0 HB3 ASP A 15 -0.972 -3.094 -13.794 1.00 2.24 H new ATOM 269 N PRO A 16 2.298 -1.610 -15.161 1.00 41.21 N ATOM 270 CA PRO A 16 3.651 -1.634 -14.569 1.00 4.32 C ATOM 271 C PRO A 16 3.670 -1.374 -13.052 1.00 24.45 C ATOM 272 O PRO A 16 4.618 -1.762 -12.370 1.00 23.31 O ATOM 273 CB PRO A 16 4.383 -0.505 -15.315 1.00 15.54 C ATOM 274 CG PRO A 16 3.301 0.422 -15.750 1.00 22.14 C ATOM 275 CD PRO A 16 2.115 -0.452 -16.064 1.00 5.01 C ATOM 0 HA PRO A 16 4.109 -2.617 -14.676 1.00 4.32 H new ATOM 0 HB2 PRO A 16 5.100 -0.001 -14.666 1.00 15.54 H new ATOM 0 HB3 PRO A 16 4.941 -0.891 -16.168 1.00 15.54 H new ATOM 0 HG2 PRO A 16 3.061 1.139 -14.965 1.00 22.14 H new ATOM 0 HG3 PRO A 16 3.606 0.996 -16.625 1.00 22.14 H new ATOM 0 HD2 PRO A 16 1.174 0.063 -15.872 1.00 5.01 H new ATOM 0 HD3 PRO A 16 2.105 -0.756 -17.111 1.00 5.01 H new ATOM 283 N SER A 17 2.620 -0.737 -12.530 1.00 65.20 N ATOM 284 CA SER A 17 2.576 -0.335 -11.112 1.00 11.20 C ATOM 285 C SER A 17 2.828 -1.519 -10.170 1.00 13.13 C ATOM 286 O SER A 17 3.801 -1.530 -9.408 1.00 34.01 O ATOM 287 CB SER A 17 1.219 0.299 -10.767 1.00 63.52 C ATOM 288 OG SER A 17 0.907 1.367 -11.647 1.00 52.43 O ATOM 0 H SER A 17 1.787 -0.486 -13.062 1.00 65.20 H new ATOM 0 HA SER A 17 3.372 0.396 -10.970 1.00 11.20 H new ATOM 0 HB2 SER A 17 0.438 -0.459 -10.821 1.00 63.52 H new ATOM 0 HB3 SER A 17 1.237 0.665 -9.740 1.00 63.52 H new ATOM 0 HG SER A 17 0.502 1.009 -12.465 1.00 52.43 H new ATOM 294 N GLU A 18 1.951 -2.519 -10.228 1.00 75.31 N ATOM 295 CA GLU A 18 2.035 -3.660 -9.317 1.00 70.41 C ATOM 296 C GLU A 18 3.301 -4.493 -9.559 1.00 32.40 C ATOM 297 O GLU A 18 4.001 -4.825 -8.608 1.00 64.51 O ATOM 298 CB GLU A 18 0.774 -4.528 -9.418 1.00 41.24 C ATOM 299 CG GLU A 18 -0.517 -3.751 -9.157 1.00 40.10 C ATOM 300 CD GLU A 18 -0.459 -2.895 -7.893 1.00 63.05 C ATOM 301 OE1 GLU A 18 -0.031 -1.722 -7.981 1.00 32.22 O ATOM 302 OE2 GLU A 18 -0.836 -3.383 -6.810 1.00 62.41 O ATOM 0 H GLU A 18 1.178 -2.563 -10.892 1.00 75.31 H new ATOM 0 HA GLU A 18 2.100 -3.266 -8.303 1.00 70.41 H new ATOM 0 HB2 GLU A 18 0.727 -4.974 -10.411 1.00 41.24 H new ATOM 0 HB3 GLU A 18 0.847 -5.348 -8.703 1.00 41.24 H new ATOM 0 HG2 GLU A 18 -0.727 -3.110 -10.013 1.00 40.10 H new ATOM 0 HG3 GLU A 18 -1.346 -4.454 -9.074 1.00 40.10 H new ATOM 309 N TYR A 19 3.608 -4.810 -10.822 1.00 15.52 N ATOM 310 CA TYR A 19 4.853 -5.530 -11.155 1.00 5.14 C ATOM 311 C TYR A 19 6.068 -4.853 -10.494 1.00 21.22 C ATOM 312 O TYR A 19 6.871 -5.497 -9.806 1.00 22.22 O ATOM 313 CB TYR A 19 5.071 -5.574 -12.678 1.00 23.42 C ATOM 314 CG TYR A 19 3.985 -6.294 -13.465 1.00 63.41 C ATOM 315 CD1 TYR A 19 3.284 -7.369 -12.921 1.00 12.21 C ATOM 316 CD2 TYR A 19 3.668 -5.901 -14.763 1.00 23.33 C ATOM 317 CE1 TYR A 19 2.305 -8.024 -13.646 1.00 75.23 C ATOM 318 CE2 TYR A 19 2.693 -6.552 -15.491 1.00 54.11 C ATOM 319 CZ TYR A 19 2.015 -7.612 -14.931 1.00 23.42 C ATOM 320 OH TYR A 19 1.039 -8.256 -15.660 1.00 12.31 O ATOM 0 H TYR A 19 3.022 -4.585 -11.626 1.00 15.52 H new ATOM 0 HA TYR A 19 4.754 -6.547 -10.776 1.00 5.14 H new ATOM 0 HB2 TYR A 19 5.149 -4.552 -13.048 1.00 23.42 H new ATOM 0 HB3 TYR A 19 6.026 -6.059 -12.879 1.00 23.42 H new ATOM 0 HD1 TYR A 19 3.509 -7.696 -11.917 1.00 12.21 H new ATOM 0 HD2 TYR A 19 4.196 -5.071 -15.208 1.00 23.33 H new ATOM 0 HE1 TYR A 19 1.770 -8.854 -13.209 1.00 75.23 H new ATOM 0 HE2 TYR A 19 2.462 -6.231 -16.496 1.00 54.11 H new ATOM 0 HH TYR A 19 0.962 -7.839 -16.543 1.00 12.31 H new ATOM 330 N MET A 20 6.166 -3.539 -10.700 1.00 72.33 N ATOM 331 CA MET A 20 7.242 -2.715 -10.138 1.00 41.32 C ATOM 332 C MET A 20 7.280 -2.799 -8.602 1.00 32.22 C ATOM 333 O MET A 20 8.347 -2.736 -7.993 1.00 44.33 O ATOM 334 CB MET A 20 7.034 -1.257 -10.577 1.00 22.25 C ATOM 335 CG MET A 20 8.141 -0.301 -10.162 1.00 22.04 C ATOM 336 SD MET A 20 7.787 1.398 -10.656 1.00 60.14 S ATOM 337 CE MET A 20 9.306 2.218 -10.171 1.00 5.11 C ATOM 0 H MET A 20 5.499 -3.012 -11.264 1.00 72.33 H new ATOM 0 HA MET A 20 8.195 -3.091 -10.510 1.00 41.32 H new ATOM 0 HB2 MET A 20 6.938 -1.230 -11.662 1.00 22.25 H new ATOM 0 HB3 MET A 20 6.091 -0.899 -10.164 1.00 22.25 H new ATOM 0 HG2 MET A 20 8.271 -0.345 -9.081 1.00 22.04 H new ATOM 0 HG3 MET A 20 9.082 -0.620 -10.609 1.00 22.04 H new ATOM 0 HE1 MET A 20 9.240 3.279 -10.413 1.00 5.11 H new ATOM 0 HE2 MET A 20 9.457 2.099 -9.098 1.00 5.11 H new ATOM 0 HE3 MET A 20 10.146 1.775 -10.707 1.00 5.11 H new ATOM 347 N SER A 21 6.106 -2.932 -7.989 1.00 63.31 N ATOM 348 CA SER A 21 5.996 -3.029 -6.525 1.00 34.03 C ATOM 349 C SER A 21 6.232 -4.464 -6.019 1.00 52.31 C ATOM 350 O SER A 21 6.701 -4.664 -4.897 1.00 31.54 O ATOM 351 CB SER A 21 4.613 -2.541 -6.070 1.00 62.20 C ATOM 352 OG SER A 21 4.494 -2.547 -4.655 1.00 63.22 O ATOM 0 H SER A 21 5.213 -2.976 -8.479 1.00 63.31 H new ATOM 0 HA SER A 21 6.773 -2.396 -6.097 1.00 34.03 H new ATOM 0 HB2 SER A 21 4.441 -1.532 -6.445 1.00 62.20 H new ATOM 0 HB3 SER A 21 3.842 -3.178 -6.503 1.00 62.20 H new ATOM 0 HG SER A 21 4.009 -1.747 -4.364 1.00 63.22 H new ATOM 358 N GLN A 22 5.913 -5.460 -6.846 1.00 41.42 N ATOM 359 CA GLN A 22 6.030 -6.871 -6.445 1.00 13.33 C ATOM 360 C GLN A 22 7.491 -7.303 -6.265 1.00 12.22 C ATOM 361 O GLN A 22 7.880 -7.807 -5.207 1.00 72.24 O ATOM 362 CB GLN A 22 5.362 -7.789 -7.482 1.00 23.41 C ATOM 363 CG GLN A 22 3.848 -7.639 -7.574 1.00 70.00 C ATOM 364 CD GLN A 22 3.229 -8.571 -8.604 1.00 35.52 C ATOM 365 OE1 GLN A 22 3.100 -8.232 -9.771 1.00 10.15 O ATOM 366 NE2 GLN A 22 2.842 -9.756 -8.177 1.00 33.32 N ATOM 0 H GLN A 22 5.572 -5.321 -7.797 1.00 41.42 H new ATOM 0 HA GLN A 22 5.523 -6.964 -5.485 1.00 13.33 H new ATOM 0 HB2 GLN A 22 5.795 -7.586 -8.461 1.00 23.41 H new ATOM 0 HB3 GLN A 22 5.598 -8.825 -7.238 1.00 23.41 H new ATOM 0 HG2 GLN A 22 3.407 -7.839 -6.597 1.00 70.00 H new ATOM 0 HG3 GLN A 22 3.604 -6.608 -7.829 1.00 70.00 H new ATOM 0 HE21 GLN A 22 2.963 -10.009 -7.196 1.00 33.32 H new ATOM 0 HE22 GLN A 22 2.421 -10.420 -8.827 1.00 33.32 H new ATOM 375 N VAL A 23 8.298 -7.115 -7.306 1.00 12.13 N ATOM 376 CA VAL A 23 9.676 -7.616 -7.302 1.00 1.42 C ATOM 377 C VAL A 23 10.715 -6.523 -7.010 1.00 1.40 C ATOM 378 O VAL A 23 10.803 -5.509 -7.703 1.00 63.11 O ATOM 379 CB VAL A 23 10.004 -8.343 -8.630 1.00 45.52 C ATOM 380 CG1 VAL A 23 11.511 -8.482 -8.841 1.00 30.43 C ATOM 381 CG2 VAL A 23 9.338 -9.718 -8.638 1.00 1.12 C ATOM 0 H VAL A 23 8.028 -6.624 -8.158 1.00 12.13 H new ATOM 0 HA VAL A 23 9.739 -8.331 -6.482 1.00 1.42 H new ATOM 0 HB VAL A 23 9.614 -7.742 -9.452 1.00 45.52 H new ATOM 0 HG11 VAL A 23 11.701 -8.997 -9.783 1.00 30.43 H new ATOM 0 HG12 VAL A 23 11.967 -7.492 -8.870 1.00 30.43 H new ATOM 0 HG13 VAL A 23 11.942 -9.056 -8.021 1.00 30.43 H new ATOM 0 HG21 VAL A 23 9.569 -10.229 -9.573 1.00 1.12 H new ATOM 0 HG22 VAL A 23 9.711 -10.308 -7.800 1.00 1.12 H new ATOM 0 HG23 VAL A 23 8.258 -9.600 -8.547 1.00 1.12 H new ATOM 391 N TYR A 24 11.506 -6.770 -5.968 1.00 62.11 N ATOM 392 CA TYR A 24 12.577 -5.863 -5.544 1.00 61.43 C ATOM 393 C TYR A 24 13.789 -5.918 -6.500 1.00 33.34 C ATOM 394 O TYR A 24 14.473 -4.915 -6.714 1.00 21.22 O ATOM 395 CB TYR A 24 13.002 -6.233 -4.114 1.00 75.41 C ATOM 396 CG TYR A 24 14.168 -5.429 -3.566 1.00 73.24 C ATOM 397 CD1 TYR A 24 13.997 -4.117 -3.133 1.00 1.14 C ATOM 398 CD2 TYR A 24 15.438 -5.989 -3.467 1.00 55.23 C ATOM 399 CE1 TYR A 24 15.057 -3.390 -2.622 1.00 41.13 C ATOM 400 CE2 TYR A 24 16.498 -5.268 -2.960 1.00 52.13 C ATOM 401 CZ TYR A 24 16.304 -3.971 -2.539 1.00 3.31 C ATOM 402 OH TYR A 24 17.366 -3.253 -2.031 1.00 72.50 O ATOM 0 H TYR A 24 11.424 -7.607 -5.390 1.00 62.11 H new ATOM 0 HA TYR A 24 12.199 -4.841 -5.569 1.00 61.43 H new ATOM 0 HB2 TYR A 24 12.147 -6.103 -3.451 1.00 75.41 H new ATOM 0 HB3 TYR A 24 13.266 -7.290 -4.091 1.00 75.41 H new ATOM 0 HD1 TYR A 24 13.021 -3.659 -3.197 1.00 1.14 H new ATOM 0 HD2 TYR A 24 15.596 -7.006 -3.793 1.00 55.23 H new ATOM 0 HE1 TYR A 24 14.908 -2.373 -2.290 1.00 41.13 H new ATOM 0 HE2 TYR A 24 17.477 -5.719 -2.893 1.00 52.13 H new ATOM 0 HH TYR A 24 18.172 -3.810 -2.041 1.00 72.50 H new ATOM 412 N GLY A 25 14.049 -7.095 -7.069 1.00 24.13 N ATOM 413 CA GLY A 25 15.193 -7.270 -7.964 1.00 14.35 C ATOM 414 C GLY A 25 14.962 -6.695 -9.361 1.00 0.51 C ATOM 415 O GLY A 25 14.450 -7.383 -10.242 1.00 21.20 O ATOM 0 H GLY A 25 13.488 -7.935 -6.928 1.00 24.13 H new ATOM 0 HA2 GLY A 25 16.067 -6.792 -7.522 1.00 14.35 H new ATOM 0 HA3 GLY A 25 15.419 -8.333 -8.049 1.00 14.35 H new ATOM 419 N ASP A 26 15.341 -5.429 -9.548 1.00 44.11 N ATOM 420 CA ASP A 26 15.179 -4.725 -10.830 1.00 23.03 C ATOM 421 C ASP A 26 13.734 -4.789 -11.364 1.00 72.31 C ATOM 422 O ASP A 26 13.419 -5.575 -12.265 1.00 43.23 O ATOM 423 CB ASP A 26 16.170 -5.257 -11.874 1.00 1.43 C ATOM 424 CG ASP A 26 17.608 -4.977 -11.481 1.00 24.24 C ATOM 425 OD1 ASP A 26 17.986 -3.784 -11.413 1.00 2.25 O ATOM 426 OD2 ASP A 26 18.370 -5.936 -11.242 1.00 61.31 O ATOM 0 H ASP A 26 15.769 -4.860 -8.818 1.00 44.11 H new ATOM 0 HA ASP A 26 15.399 -3.674 -10.642 1.00 23.03 H new ATOM 0 HB2 ASP A 26 16.029 -6.331 -11.995 1.00 1.43 H new ATOM 0 HB3 ASP A 26 15.961 -4.798 -12.840 1.00 1.43 H new ATOM 431 N PRO A 27 12.836 -3.944 -10.814 1.00 40.20 N ATOM 432 CA PRO A 27 11.421 -3.891 -11.230 1.00 63.31 C ATOM 433 C PRO A 27 11.234 -3.784 -12.755 1.00 33.12 C ATOM 434 O PRO A 27 10.264 -4.303 -13.308 1.00 55.31 O ATOM 435 CB PRO A 27 10.907 -2.625 -10.537 1.00 53.05 C ATOM 436 CG PRO A 27 11.761 -2.491 -9.322 1.00 42.14 C ATOM 437 CD PRO A 27 13.125 -2.988 -9.725 1.00 4.42 C ATOM 0 HA PRO A 27 10.889 -4.803 -10.959 1.00 63.31 H new ATOM 0 HB2 PRO A 27 10.999 -1.753 -11.185 1.00 53.05 H new ATOM 0 HB3 PRO A 27 9.853 -2.717 -10.273 1.00 53.05 H new ATOM 0 HG2 PRO A 27 11.805 -1.455 -8.987 1.00 42.14 H new ATOM 0 HG3 PRO A 27 11.360 -3.077 -8.495 1.00 42.14 H new ATOM 0 HD2 PRO A 27 13.765 -2.174 -10.065 1.00 4.42 H new ATOM 0 HD3 PRO A 27 13.638 -3.470 -8.893 1.00 4.42 H new ATOM 445 N LEU A 28 12.169 -3.108 -13.425 1.00 52.35 N ATOM 446 CA LEU A 28 12.122 -2.952 -14.887 1.00 0.54 C ATOM 447 C LEU A 28 12.230 -4.313 -15.592 1.00 63.11 C ATOM 448 O LEU A 28 11.528 -4.579 -16.569 1.00 71.53 O ATOM 449 CB LEU A 28 13.246 -2.022 -15.382 1.00 51.33 C ATOM 450 CG LEU A 28 13.146 -0.544 -14.951 1.00 10.20 C ATOM 451 CD1 LEU A 28 11.788 0.046 -15.329 1.00 24.43 C ATOM 452 CD2 LEU A 28 13.413 -0.382 -13.454 1.00 52.33 C ATOM 0 H LEU A 28 12.970 -2.658 -12.982 1.00 52.35 H new ATOM 0 HA LEU A 28 11.160 -2.503 -15.134 1.00 0.54 H new ATOM 0 HB2 LEU A 28 14.198 -2.418 -15.030 1.00 51.33 H new ATOM 0 HB3 LEU A 28 13.268 -2.061 -16.471 1.00 51.33 H new ATOM 0 HG LEU A 28 13.917 0.009 -15.488 1.00 10.20 H new ATOM 0 HD11 LEU A 28 11.744 1.089 -15.014 1.00 24.43 H new ATOM 0 HD12 LEU A 28 11.654 -0.013 -16.409 1.00 24.43 H new ATOM 0 HD13 LEU A 28 10.996 -0.516 -14.834 1.00 24.43 H new ATOM 0 HD21 LEU A 28 13.335 0.671 -13.182 1.00 52.33 H new ATOM 0 HD22 LEU A 28 12.680 -0.958 -12.889 1.00 52.33 H new ATOM 0 HD23 LEU A 28 14.415 -0.743 -13.222 1.00 52.33 H new ATOM 464 N ALA A 29 13.108 -5.174 -15.080 1.00 34.13 N ATOM 465 CA ALA A 29 13.286 -6.521 -15.630 1.00 12.04 C ATOM 466 C ALA A 29 12.010 -7.358 -15.451 1.00 60.42 C ATOM 467 O ALA A 29 11.509 -7.957 -16.402 1.00 61.40 O ATOM 468 CB ALA A 29 14.474 -7.211 -14.963 1.00 22.34 C ATOM 0 H ALA A 29 13.709 -4.964 -14.283 1.00 34.13 H new ATOM 0 HA ALA A 29 13.486 -6.432 -16.698 1.00 12.04 H new ATOM 0 HB1 ALA A 29 14.595 -8.211 -15.380 1.00 22.34 H new ATOM 0 HB2 ALA A 29 15.379 -6.631 -15.142 1.00 22.34 H new ATOM 0 HB3 ALA A 29 14.296 -7.285 -13.890 1.00 22.34 H new ATOM 474 N TYR A 30 11.486 -7.373 -14.226 1.00 71.02 N ATOM 475 CA TYR A 30 10.242 -8.093 -13.913 1.00 11.31 C ATOM 476 C TYR A 30 9.053 -7.535 -14.717 1.00 35.32 C ATOM 477 O TYR A 30 8.144 -8.271 -15.092 1.00 50.43 O ATOM 478 CB TYR A 30 9.958 -8.004 -12.409 1.00 21.42 C ATOM 479 CG TYR A 30 8.744 -8.797 -11.946 1.00 2.11 C ATOM 480 CD1 TYR A 30 8.761 -10.190 -11.926 1.00 24.42 C ATOM 481 CD2 TYR A 30 7.592 -8.153 -11.506 1.00 5.33 C ATOM 482 CE1 TYR A 30 7.667 -10.912 -11.481 1.00 61.23 C ATOM 483 CE2 TYR A 30 6.497 -8.869 -11.063 1.00 45.44 C ATOM 484 CZ TYR A 30 6.538 -10.247 -11.051 1.00 41.20 C ATOM 485 OH TYR A 30 5.445 -10.959 -10.605 1.00 53.42 O ATOM 0 H TYR A 30 11.902 -6.894 -13.428 1.00 71.02 H new ATOM 0 HA TYR A 30 10.370 -9.138 -14.196 1.00 11.31 H new ATOM 0 HB2 TYR A 30 10.835 -8.356 -11.865 1.00 21.42 H new ATOM 0 HB3 TYR A 30 9.816 -6.957 -12.141 1.00 21.42 H new ATOM 0 HD1 TYR A 30 9.642 -10.715 -12.263 1.00 24.42 H new ATOM 0 HD2 TYR A 30 7.553 -7.074 -11.511 1.00 5.33 H new ATOM 0 HE1 TYR A 30 7.698 -11.992 -11.471 1.00 61.23 H new ATOM 0 HE2 TYR A 30 5.611 -8.351 -10.727 1.00 45.44 H new ATOM 0 HH TYR A 30 4.736 -10.337 -10.338 1.00 53.42 H new ATOM 495 N LEU A 31 9.064 -6.228 -14.976 1.00 22.44 N ATOM 496 CA LEU A 31 8.041 -5.594 -15.820 1.00 21.35 C ATOM 497 C LEU A 31 8.056 -6.181 -17.238 1.00 64.30 C ATOM 498 O LEU A 31 7.021 -6.599 -17.764 1.00 34.30 O ATOM 499 CB LEU A 31 8.260 -4.072 -15.876 1.00 1.32 C ATOM 500 CG LEU A 31 7.362 -3.309 -16.866 1.00 53.44 C ATOM 501 CD1 LEU A 31 5.888 -3.554 -16.562 1.00 21.32 C ATOM 502 CD2 LEU A 31 7.685 -1.816 -16.840 1.00 61.11 C ATOM 0 H LEU A 31 9.768 -5.584 -14.616 1.00 22.44 H new ATOM 0 HA LEU A 31 7.066 -5.796 -15.376 1.00 21.35 H new ATOM 0 HB2 LEU A 31 8.101 -3.663 -14.878 1.00 1.32 H new ATOM 0 HB3 LEU A 31 9.301 -3.882 -16.136 1.00 1.32 H new ATOM 0 HG LEU A 31 7.563 -3.684 -17.870 1.00 53.44 H new ATOM 0 HD11 LEU A 31 5.273 -3.004 -17.275 1.00 21.32 H new ATOM 0 HD12 LEU A 31 5.672 -4.619 -16.642 1.00 21.32 H new ATOM 0 HD13 LEU A 31 5.664 -3.214 -15.551 1.00 21.32 H new ATOM 0 HD21 LEU A 31 7.041 -1.292 -17.546 1.00 61.11 H new ATOM 0 HD22 LEU A 31 7.517 -1.425 -15.836 1.00 61.11 H new ATOM 0 HD23 LEU A 31 8.728 -1.664 -17.119 1.00 61.11 H new ATOM 514 N GLN A 32 9.238 -6.213 -17.848 1.00 73.20 N ATOM 515 CA GLN A 32 9.404 -6.794 -19.182 1.00 31.31 C ATOM 516 C GLN A 32 9.065 -8.295 -19.173 1.00 42.32 C ATOM 517 O GLN A 32 8.416 -8.810 -20.091 1.00 65.43 O ATOM 518 CB GLN A 32 10.841 -6.571 -19.679 1.00 71.05 C ATOM 519 CG GLN A 32 11.084 -7.021 -21.116 1.00 62.42 C ATOM 520 CD GLN A 32 10.157 -6.336 -22.107 1.00 2.30 C ATOM 521 OE1 GLN A 32 10.462 -5.273 -22.636 1.00 24.31 O ATOM 522 NE2 GLN A 32 9.013 -6.938 -22.362 1.00 14.30 N ATOM 0 H GLN A 32 10.097 -5.844 -17.441 1.00 73.20 H new ATOM 0 HA GLN A 32 8.714 -6.296 -19.863 1.00 31.31 H new ATOM 0 HB2 GLN A 32 11.081 -5.511 -19.597 1.00 71.05 H new ATOM 0 HB3 GLN A 32 11.527 -7.105 -19.022 1.00 71.05 H new ATOM 0 HG2 GLN A 32 12.119 -6.813 -21.388 1.00 62.42 H new ATOM 0 HG3 GLN A 32 10.948 -8.100 -21.183 1.00 62.42 H new ATOM 0 HE21 GLN A 32 8.789 -7.822 -21.905 1.00 14.30 H new ATOM 0 HE22 GLN A 32 8.351 -6.520 -23.016 1.00 14.30 H new ATOM 531 N GLU A 33 9.500 -8.980 -18.122 1.00 52.12 N ATOM 532 CA GLU A 33 9.216 -10.405 -17.938 1.00 22.34 C ATOM 533 C GLU A 33 7.702 -10.679 -17.924 1.00 15.40 C ATOM 534 O GLU A 33 7.191 -11.426 -18.760 1.00 14.44 O ATOM 535 CB GLU A 33 9.883 -10.892 -16.634 1.00 20.44 C ATOM 536 CG GLU A 33 9.629 -12.362 -16.281 1.00 31.04 C ATOM 537 CD GLU A 33 8.429 -12.569 -15.358 1.00 1.11 C ATOM 538 OE1 GLU A 33 8.609 -12.483 -14.129 1.00 32.03 O ATOM 539 OE2 GLU A 33 7.311 -12.816 -15.864 1.00 21.31 O ATOM 0 H GLU A 33 10.058 -8.568 -17.374 1.00 52.12 H new ATOM 0 HA GLU A 33 9.630 -10.959 -18.780 1.00 22.34 H new ATOM 0 HB2 GLU A 33 10.959 -10.735 -16.714 1.00 20.44 H new ATOM 0 HB3 GLU A 33 9.531 -10.271 -15.810 1.00 20.44 H new ATOM 0 HG2 GLU A 33 9.472 -12.926 -17.200 1.00 31.04 H new ATOM 0 HG3 GLU A 33 10.519 -12.772 -15.804 1.00 31.04 H new ATOM 546 N THR A 34 6.993 -10.042 -16.994 1.00 65.42 N ATOM 547 CA THR A 34 5.555 -10.281 -16.791 1.00 73.42 C ATOM 548 C THR A 34 4.694 -9.852 -17.983 1.00 44.30 C ATOM 549 O THR A 34 3.706 -10.514 -18.300 1.00 64.23 O ATOM 550 CB THR A 34 5.039 -9.567 -15.528 1.00 13.11 C ATOM 551 OG1 THR A 34 5.389 -8.177 -15.572 1.00 61.32 O ATOM 552 CG2 THR A 34 5.611 -10.201 -14.269 1.00 63.32 C ATOM 0 H THR A 34 7.391 -9.349 -16.361 1.00 65.42 H new ATOM 0 HA THR A 34 5.460 -11.361 -16.677 1.00 73.42 H new ATOM 0 HB THR A 34 3.954 -9.668 -15.502 1.00 13.11 H new ATOM 0 HG1 THR A 34 4.585 -7.633 -15.438 1.00 61.32 H new ATOM 0 HG21 THR A 34 5.230 -9.677 -13.392 1.00 63.32 H new ATOM 0 HG22 THR A 34 5.315 -11.249 -14.223 1.00 63.32 H new ATOM 0 HG23 THR A 34 6.699 -10.132 -14.289 1.00 63.32 H new ATOM 560 N THR A 35 5.041 -8.746 -18.645 1.00 64.34 N ATOM 561 CA THR A 35 4.316 -8.347 -19.865 1.00 3.23 C ATOM 562 C THR A 35 4.526 -9.385 -20.978 1.00 52.01 C ATOM 563 O THR A 35 3.704 -9.521 -21.885 1.00 22.14 O ATOM 564 CB THR A 35 4.718 -6.939 -20.381 1.00 13.22 C ATOM 565 OG1 THR A 35 3.884 -6.562 -21.491 1.00 23.20 O ATOM 566 CG2 THR A 35 6.176 -6.892 -20.814 1.00 62.21 C ATOM 0 H THR A 35 5.799 -8.121 -18.371 1.00 64.34 H new ATOM 0 HA THR A 35 3.262 -8.300 -19.593 1.00 3.23 H new ATOM 0 HB THR A 35 4.582 -6.239 -19.556 1.00 13.22 H new ATOM 0 HG1 THR A 35 4.144 -5.672 -21.808 1.00 23.20 H new ATOM 0 HG21 THR A 35 6.418 -5.890 -21.169 1.00 62.21 H new ATOM 0 HG22 THR A 35 6.815 -7.142 -19.967 1.00 62.21 H new ATOM 0 HG23 THR A 35 6.340 -7.611 -21.617 1.00 62.21 H new ATOM 574 N LYS A 36 5.643 -10.114 -20.903 1.00 34.04 N ATOM 575 CA LYS A 36 5.877 -11.277 -21.769 1.00 12.21 C ATOM 576 C LYS A 36 5.316 -12.569 -21.136 1.00 42.04 C ATOM 577 O LYS A 36 5.142 -13.580 -21.821 1.00 33.43 O ATOM 578 CB LYS A 36 7.383 -11.458 -22.013 1.00 5.31 C ATOM 579 CG LYS A 36 8.056 -10.295 -22.735 1.00 3.41 C ATOM 580 CD LYS A 36 7.627 -10.194 -24.195 1.00 32.12 C ATOM 581 CE LYS A 36 8.436 -9.140 -24.943 1.00 11.22 C ATOM 582 NZ LYS A 36 9.893 -9.460 -24.963 1.00 71.11 N ATOM 0 H LYS A 36 6.402 -9.920 -20.250 1.00 34.04 H new ATOM 0 HA LYS A 36 5.363 -11.094 -22.713 1.00 12.21 H new ATOM 0 HB2 LYS A 36 7.877 -11.607 -21.053 1.00 5.31 H new ATOM 0 HB3 LYS A 36 7.536 -12.367 -22.595 1.00 5.31 H new ATOM 0 HG2 LYS A 36 7.815 -9.364 -22.223 1.00 3.41 H new ATOM 0 HG3 LYS A 36 9.138 -10.416 -22.684 1.00 3.41 H new ATOM 0 HD2 LYS A 36 7.752 -11.162 -24.680 1.00 32.12 H new ATOM 0 HD3 LYS A 36 6.567 -9.946 -24.248 1.00 32.12 H new ATOM 0 HE2 LYS A 36 8.069 -9.061 -25.966 1.00 11.22 H new ATOM 0 HE3 LYS A 36 8.285 -8.168 -24.474 1.00 11.22 H new ATOM 0 HZ1 LYS A 36 10.393 -8.764 -25.552 1.00 71.11 H new ATOM 0 HZ2 LYS A 36 10.269 -9.427 -23.994 1.00 71.11 H new ATOM 0 HZ3 LYS A 36 10.034 -10.412 -25.357 1.00 71.11 H new ATOM 596 N PHE A 37 5.049 -12.527 -19.824 1.00 73.14 N ATOM 597 CA PHE A 37 4.656 -13.719 -19.054 1.00 71.21 C ATOM 598 C PHE A 37 5.747 -14.802 -19.130 1.00 1.35 C ATOM 599 O PHE A 37 5.460 -16.005 -19.104 1.00 12.33 O ATOM 600 CB PHE A 37 3.299 -14.261 -19.537 1.00 53.03 C ATOM 601 CG PHE A 37 2.141 -13.348 -19.212 1.00 41.41 C ATOM 602 CD1 PHE A 37 1.488 -13.445 -17.990 1.00 43.43 C ATOM 603 CD2 PHE A 37 1.708 -12.395 -20.122 1.00 24.32 C ATOM 604 CE1 PHE A 37 0.429 -12.611 -17.686 1.00 54.54 C ATOM 605 CE2 PHE A 37 0.648 -11.559 -19.821 1.00 42.53 C ATOM 606 CZ PHE A 37 0.008 -11.667 -18.603 1.00 71.11 C ATOM 0 H PHE A 37 5.098 -11.673 -19.268 1.00 73.14 H new ATOM 0 HA PHE A 37 4.545 -13.429 -18.009 1.00 71.21 H new ATOM 0 HB2 PHE A 37 3.340 -14.415 -20.615 1.00 53.03 H new ATOM 0 HB3 PHE A 37 3.123 -15.236 -19.083 1.00 53.03 H new ATOM 0 HD1 PHE A 37 1.812 -14.181 -17.269 1.00 43.43 H new ATOM 0 HD2 PHE A 37 2.204 -12.305 -21.077 1.00 24.32 H new ATOM 0 HE1 PHE A 37 -0.070 -12.697 -16.732 1.00 54.54 H new ATOM 0 HE2 PHE A 37 0.321 -10.822 -20.539 1.00 42.53 H new ATOM 0 HZ PHE A 37 -0.820 -11.015 -18.367 1.00 71.11 H new ATOM 616 N VAL A 38 7.004 -14.339 -19.177 1.00 33.22 N ATOM 617 CA VAL A 38 8.188 -15.199 -19.334 1.00 53.33 C ATOM 618 C VAL A 38 8.180 -15.947 -20.678 1.00 4.03 C ATOM 619 O VAL A 38 7.448 -16.921 -20.859 1.00 0.32 O ATOM 620 CB VAL A 38 8.330 -16.232 -18.190 1.00 32.13 C ATOM 621 CG1 VAL A 38 9.691 -16.920 -18.250 1.00 60.00 C ATOM 622 CG2 VAL A 38 8.108 -15.581 -16.833 1.00 42.52 C ATOM 0 H VAL A 38 7.231 -13.347 -19.106 1.00 33.22 H new ATOM 0 HA VAL A 38 9.042 -14.522 -19.301 1.00 53.33 H new ATOM 0 HB VAL A 38 7.559 -16.991 -18.324 1.00 32.13 H new ATOM 0 HG11 VAL A 38 9.770 -17.642 -17.437 1.00 60.00 H new ATOM 0 HG12 VAL A 38 9.796 -17.435 -19.205 1.00 60.00 H new ATOM 0 HG13 VAL A 38 10.480 -16.175 -18.151 1.00 60.00 H new ATOM 0 HG21 VAL A 38 8.214 -16.330 -16.048 1.00 42.52 H new ATOM 0 HG22 VAL A 38 8.845 -14.792 -16.683 1.00 42.52 H new ATOM 0 HG23 VAL A 38 7.106 -15.154 -16.794 1.00 42.52 H new ATOM 632 N THR A 39 8.995 -15.482 -21.621 1.00 55.15 N ATOM 633 CA THR A 39 9.076 -16.102 -22.954 1.00 42.21 C ATOM 634 C THR A 39 10.444 -16.748 -23.219 1.00 25.44 C ATOM 635 O THR A 39 10.537 -17.955 -23.455 1.00 33.02 O ATOM 636 CB THR A 39 8.804 -15.070 -24.076 1.00 10.43 C ATOM 637 OG1 THR A 39 9.760 -13.999 -24.004 1.00 1.41 O ATOM 638 CG2 THR A 39 7.393 -14.502 -23.979 1.00 22.42 C ATOM 0 H THR A 39 9.611 -14.679 -21.494 1.00 55.15 H new ATOM 0 HA THR A 39 8.309 -16.877 -22.964 1.00 42.21 H new ATOM 0 HB THR A 39 8.901 -15.585 -25.032 1.00 10.43 H new ATOM 0 HG1 THR A 39 9.581 -13.352 -24.718 1.00 1.41 H new ATOM 0 HG21 THR A 39 7.235 -13.781 -24.781 1.00 22.42 H new ATOM 0 HG22 THR A 39 6.668 -15.311 -24.070 1.00 22.42 H new ATOM 0 HG23 THR A 39 7.265 -14.007 -23.016 1.00 22.42 H new ATOM 646 N GLU A 40 11.504 -15.939 -23.184 1.00 23.32 N ATOM 647 CA GLU A 40 12.844 -16.394 -23.585 1.00 75.12 C ATOM 648 C GLU A 40 13.802 -16.635 -22.403 1.00 72.24 C ATOM 649 O GLU A 40 13.505 -16.326 -21.236 1.00 31.33 O ATOM 650 CB GLU A 40 13.479 -15.373 -24.553 1.00 44.34 C ATOM 651 CG GLU A 40 13.635 -15.884 -25.981 1.00 4.44 C ATOM 652 CD GLU A 40 14.385 -17.208 -26.047 1.00 1.13 C ATOM 653 OE1 GLU A 40 15.587 -17.234 -25.707 1.00 25.12 O ATOM 654 OE2 GLU A 40 13.771 -18.229 -26.416 1.00 31.21 O ATOM 0 H GLU A 40 11.465 -14.965 -22.883 1.00 23.32 H new ATOM 0 HA GLU A 40 12.699 -17.358 -24.074 1.00 75.12 H new ATOM 0 HB2 GLU A 40 12.867 -14.471 -24.566 1.00 44.34 H new ATOM 0 HB3 GLU A 40 14.459 -15.087 -24.171 1.00 44.34 H new ATOM 0 HG2 GLU A 40 12.649 -16.006 -26.430 1.00 4.44 H new ATOM 0 HG3 GLU A 40 14.166 -15.139 -26.574 1.00 4.44 H new ATOM 661 N ARG A 41 14.980 -17.175 -22.741 1.00 72.24 N ATOM 662 CA ARG A 41 16.049 -17.413 -21.771 1.00 51.54 C ATOM 663 C ARG A 41 16.383 -16.132 -21.002 1.00 61.34 C ATOM 664 O ARG A 41 16.720 -16.187 -19.829 1.00 14.23 O ATOM 665 CB ARG A 41 17.307 -17.941 -22.482 1.00 10.23 C ATOM 666 CG ARG A 41 18.414 -18.399 -21.530 1.00 2.35 C ATOM 667 CD ARG A 41 17.956 -19.563 -20.655 1.00 63.34 C ATOM 668 NE ARG A 41 17.397 -20.649 -21.456 1.00 22.34 N ATOM 669 CZ ARG A 41 16.450 -21.452 -21.056 1.00 14.14 C ATOM 670 NH1 ARG A 41 15.975 -21.374 -19.855 1.00 73.00 N ATOM 671 NH2 ARG A 41 15.984 -22.338 -21.864 1.00 31.13 N ATOM 0 H ARG A 41 15.215 -17.457 -23.692 1.00 72.24 H new ATOM 0 HA ARG A 41 15.701 -18.162 -21.060 1.00 51.54 H new ATOM 0 HB2 ARG A 41 17.026 -18.776 -23.124 1.00 10.23 H new ATOM 0 HB3 ARG A 41 17.701 -17.159 -23.131 1.00 10.23 H new ATOM 0 HG2 ARG A 41 19.289 -18.699 -22.106 1.00 2.35 H new ATOM 0 HG3 ARG A 41 18.719 -17.565 -20.897 1.00 2.35 H new ATOM 0 HD2 ARG A 41 18.799 -19.936 -20.073 1.00 63.34 H new ATOM 0 HD3 ARG A 41 17.208 -19.212 -19.944 1.00 63.34 H new ATOM 0 HE ARG A 41 17.773 -20.789 -22.394 1.00 22.34 H new ATOM 0 HH11 ARG A 41 16.341 -20.677 -19.206 1.00 73.00 H new ATOM 0 HH12 ARG A 41 15.234 -22.009 -19.557 1.00 73.00 H new ATOM 0 HH21 ARG A 41 16.355 -22.410 -22.811 1.00 31.13 H new ATOM 0 HH22 ARG A 41 15.244 -22.969 -21.557 1.00 31.13 H new ATOM 685 N GLU A 42 16.270 -14.986 -21.678 1.00 24.31 N ATOM 686 CA GLU A 42 16.483 -13.668 -21.053 1.00 35.34 C ATOM 687 C GLU A 42 15.831 -13.586 -19.660 1.00 13.35 C ATOM 688 O GLU A 42 16.431 -13.097 -18.697 1.00 22.33 O ATOM 689 CB GLU A 42 15.890 -12.566 -21.948 1.00 13.11 C ATOM 690 CG GLU A 42 16.419 -12.568 -23.379 1.00 13.03 C ATOM 691 CD GLU A 42 15.735 -11.530 -24.261 1.00 0.51 C ATOM 692 OE1 GLU A 42 14.640 -11.821 -24.793 1.00 32.31 O ATOM 693 OE2 GLU A 42 16.286 -10.417 -24.421 1.00 53.14 O ATOM 0 H GLU A 42 16.030 -14.940 -22.668 1.00 24.31 H new ATOM 0 HA GLU A 42 17.558 -13.528 -20.939 1.00 35.34 H new ATOM 0 HB2 GLU A 42 14.806 -12.679 -21.973 1.00 13.11 H new ATOM 0 HB3 GLU A 42 16.099 -11.596 -21.497 1.00 13.11 H new ATOM 0 HG2 GLU A 42 17.492 -12.377 -23.365 1.00 13.03 H new ATOM 0 HG3 GLU A 42 16.277 -13.558 -23.813 1.00 13.03 H new ATOM 700 N TYR A 43 14.603 -14.089 -19.565 1.00 11.11 N ATOM 701 CA TYR A 43 13.828 -14.025 -18.323 1.00 54.31 C ATOM 702 C TYR A 43 14.122 -15.225 -17.408 1.00 23.44 C ATOM 703 O TYR A 43 14.124 -15.100 -16.186 1.00 62.44 O ATOM 704 CB TYR A 43 12.332 -13.945 -18.657 1.00 1.43 C ATOM 705 CG TYR A 43 12.019 -12.887 -19.702 1.00 53.24 C ATOM 706 CD1 TYR A 43 12.286 -11.542 -19.462 1.00 22.12 C ATOM 707 CD2 TYR A 43 11.471 -13.235 -20.931 1.00 25.22 C ATOM 708 CE1 TYR A 43 12.017 -10.580 -20.417 1.00 23.24 C ATOM 709 CE2 TYR A 43 11.198 -12.279 -21.887 1.00 21.44 C ATOM 710 CZ TYR A 43 11.474 -10.954 -21.626 1.00 21.01 C ATOM 711 OH TYR A 43 11.206 -10.001 -22.583 1.00 35.32 O ATOM 0 H TYR A 43 14.119 -14.548 -20.336 1.00 11.11 H new ATOM 0 HA TYR A 43 14.123 -13.129 -17.777 1.00 54.31 H new ATOM 0 HB2 TYR A 43 11.992 -14.916 -19.016 1.00 1.43 H new ATOM 0 HB3 TYR A 43 11.772 -13.728 -17.747 1.00 1.43 H new ATOM 0 HD1 TYR A 43 12.710 -11.246 -18.514 1.00 22.12 H new ATOM 0 HD2 TYR A 43 11.255 -14.272 -21.141 1.00 25.22 H new ATOM 0 HE1 TYR A 43 12.231 -9.541 -20.216 1.00 23.24 H new ATOM 0 HE2 TYR A 43 10.770 -12.567 -22.836 1.00 21.44 H new ATOM 0 HH TYR A 43 11.930 -9.341 -22.599 1.00 35.32 H new ATOM 721 N TYR A 44 14.385 -16.386 -18.009 1.00 71.43 N ATOM 722 CA TYR A 44 14.757 -17.587 -17.239 1.00 72.35 C ATOM 723 C TYR A 44 16.193 -17.492 -16.678 1.00 12.54 C ATOM 724 O TYR A 44 16.541 -18.175 -15.714 1.00 32.44 O ATOM 725 CB TYR A 44 14.658 -18.844 -18.118 1.00 22.43 C ATOM 726 CG TYR A 44 13.249 -19.243 -18.522 1.00 64.24 C ATOM 727 CD1 TYR A 44 12.394 -19.862 -17.615 1.00 52.42 C ATOM 728 CD2 TYR A 44 12.784 -19.027 -19.815 1.00 4.14 C ATOM 729 CE1 TYR A 44 11.120 -20.253 -17.986 1.00 22.31 C ATOM 730 CE2 TYR A 44 11.510 -19.411 -20.191 1.00 42.12 C ATOM 731 CZ TYR A 44 10.683 -20.025 -19.274 1.00 22.12 C ATOM 732 OH TYR A 44 9.414 -20.410 -19.647 1.00 54.25 O ATOM 0 H TYR A 44 14.349 -16.526 -19.019 1.00 71.43 H new ATOM 0 HA TYR A 44 14.058 -17.653 -16.405 1.00 72.35 H new ATOM 0 HB2 TYR A 44 15.246 -18.683 -19.022 1.00 22.43 H new ATOM 0 HB3 TYR A 44 15.115 -19.677 -17.585 1.00 22.43 H new ATOM 0 HD1 TYR A 44 12.731 -20.040 -16.604 1.00 52.42 H new ATOM 0 HD2 TYR A 44 13.430 -18.551 -20.538 1.00 4.14 H new ATOM 0 HE1 TYR A 44 10.470 -20.735 -17.270 1.00 22.31 H new ATOM 0 HE2 TYR A 44 11.164 -19.231 -21.198 1.00 42.12 H new ATOM 0 HH TYR A 44 8.826 -20.402 -18.863 1.00 54.25 H new ATOM 742 N GLU A 45 17.020 -16.653 -17.295 1.00 71.43 N ATOM 743 CA GLU A 45 18.461 -16.618 -17.005 1.00 2.15 C ATOM 744 C GLU A 45 18.822 -15.581 -15.928 1.00 73.13 C ATOM 745 O GLU A 45 19.555 -15.896 -14.987 1.00 50.02 O ATOM 746 CB GLU A 45 19.231 -16.343 -18.308 1.00 1.44 C ATOM 747 CG GLU A 45 20.749 -16.382 -18.178 1.00 52.13 C ATOM 748 CD GLU A 45 21.439 -16.456 -19.533 1.00 65.21 C ATOM 749 OE1 GLU A 45 21.373 -15.468 -20.299 1.00 30.40 O ATOM 750 OE2 GLU A 45 22.028 -17.512 -19.849 1.00 12.35 O ATOM 0 H GLU A 45 16.721 -15.983 -18.003 1.00 71.43 H new ATOM 0 HA GLU A 45 18.748 -17.589 -16.602 1.00 2.15 H new ATOM 0 HB2 GLU A 45 18.926 -17.076 -19.055 1.00 1.44 H new ATOM 0 HB3 GLU A 45 18.939 -15.363 -18.686 1.00 1.44 H new ATOM 0 HG2 GLU A 45 21.090 -15.493 -17.646 1.00 52.13 H new ATOM 0 HG3 GLU A 45 21.039 -17.244 -17.577 1.00 52.13 H new ATOM 757 N ASP A 46 18.318 -14.350 -16.070 1.00 73.21 N ATOM 758 CA ASP A 46 18.610 -13.270 -15.106 1.00 34.23 C ATOM 759 C ASP A 46 17.407 -12.336 -14.876 1.00 1.23 C ATOM 760 O ASP A 46 17.037 -12.053 -13.734 1.00 31.03 O ATOM 761 CB ASP A 46 19.809 -12.429 -15.577 1.00 30.31 C ATOM 762 CG ASP A 46 21.139 -13.145 -15.409 1.00 73.15 C ATOM 763 OD1 ASP A 46 21.674 -13.153 -14.281 1.00 53.03 O ATOM 764 OD2 ASP A 46 21.654 -13.696 -16.402 1.00 12.44 O ATOM 0 H ASP A 46 17.708 -14.072 -16.838 1.00 73.21 H new ATOM 0 HA ASP A 46 18.843 -13.762 -14.162 1.00 34.23 H new ATOM 0 HB2 ASP A 46 19.673 -12.168 -16.627 1.00 30.31 H new ATOM 0 HB3 ASP A 46 19.833 -11.494 -15.017 1.00 30.31 H new ATOM 769 N PHE A 47 16.813 -11.847 -15.961 1.00 41.14 N ATOM 770 CA PHE A 47 15.783 -10.800 -15.877 1.00 12.33 C ATOM 771 C PHE A 47 14.397 -11.362 -15.509 1.00 55.35 C ATOM 772 O PHE A 47 13.628 -11.757 -16.381 1.00 33.01 O ATOM 773 CB PHE A 47 15.706 -10.037 -17.211 1.00 22.24 C ATOM 774 CG PHE A 47 17.025 -9.441 -17.647 1.00 54.00 C ATOM 775 CD1 PHE A 47 17.436 -8.202 -17.176 1.00 31.42 C ATOM 776 CD2 PHE A 47 17.856 -10.126 -18.526 1.00 14.23 C ATOM 777 CE1 PHE A 47 18.644 -7.659 -17.574 1.00 71.43 C ATOM 778 CE2 PHE A 47 19.063 -9.586 -18.926 1.00 30.23 C ATOM 779 CZ PHE A 47 19.457 -8.352 -18.448 1.00 33.12 C ATOM 0 H PHE A 47 17.023 -12.155 -16.911 1.00 41.14 H new ATOM 0 HA PHE A 47 16.075 -10.121 -15.076 1.00 12.33 H new ATOM 0 HB2 PHE A 47 15.349 -10.714 -17.987 1.00 22.24 H new ATOM 0 HB3 PHE A 47 14.969 -9.239 -17.121 1.00 22.24 H new ATOM 0 HD1 PHE A 47 16.805 -7.655 -16.491 1.00 31.42 H new ATOM 0 HD2 PHE A 47 17.554 -11.093 -18.901 1.00 14.23 H new ATOM 0 HE1 PHE A 47 18.951 -6.693 -17.201 1.00 71.43 H new ATOM 0 HE2 PHE A 47 19.697 -10.128 -19.612 1.00 30.23 H new ATOM 0 HZ PHE A 47 20.401 -7.929 -18.758 1.00 33.12 H new ATOM 789 N GLY A 48 14.086 -11.390 -14.213 1.00 61.14 N ATOM 790 CA GLY A 48 12.773 -11.852 -13.767 1.00 23.21 C ATOM 791 C GLY A 48 12.686 -12.062 -12.257 1.00 64.33 C ATOM 792 O GLY A 48 12.008 -11.310 -11.554 1.00 3.31 O ATOM 0 H GLY A 48 14.715 -11.103 -13.464 1.00 61.14 H new ATOM 0 HA2 GLY A 48 12.018 -11.126 -14.070 1.00 23.21 H new ATOM 0 HA3 GLY A 48 12.535 -12.789 -14.271 1.00 23.21 H new ATOM 1115 N PRO A 71 -0.567 -15.542 -3.485 1.00 20.34 N ATOM 1116 CA PRO A 71 -1.644 -15.939 -2.570 1.00 1.14 C ATOM 1117 C PRO A 71 -2.434 -17.170 -3.047 1.00 50.15 C ATOM 1118 O PRO A 71 -2.508 -17.455 -4.245 1.00 70.13 O ATOM 1119 CB PRO A 71 -2.539 -14.698 -2.580 1.00 61.13 C ATOM 1120 CG PRO A 71 -2.425 -14.179 -3.978 1.00 55.21 C ATOM 1121 CD PRO A 71 -1.017 -14.504 -4.438 1.00 42.02 C ATOM 0 HA PRO A 71 -1.264 -16.232 -1.591 1.00 1.14 H new ATOM 0 HB2 PRO A 71 -3.570 -14.948 -2.330 1.00 61.13 H new ATOM 0 HB3 PRO A 71 -2.205 -13.959 -1.852 1.00 61.13 H new ATOM 0 HG2 PRO A 71 -3.164 -14.647 -4.628 1.00 55.21 H new ATOM 0 HG3 PRO A 71 -2.607 -13.105 -4.010 1.00 55.21 H new ATOM 0 HD2 PRO A 71 -1.006 -14.871 -5.464 1.00 42.02 H new ATOM 0 HD3 PRO A 71 -0.373 -13.625 -4.407 1.00 42.02 H new ATOM 1129 N LYS A 72 -3.049 -17.884 -2.102 1.00 22.04 N ATOM 1130 CA LYS A 72 -3.934 -19.013 -2.428 1.00 34.13 C ATOM 1131 C LYS A 72 -5.232 -18.536 -3.108 1.00 42.14 C ATOM 1132 O LYS A 72 -6.089 -19.341 -3.479 1.00 54.40 O ATOM 1133 CB LYS A 72 -4.260 -19.814 -1.158 1.00 33.30 C ATOM 1134 CG LYS A 72 -4.900 -18.985 -0.045 1.00 15.31 C ATOM 1135 CD LYS A 72 -5.140 -19.824 1.209 1.00 51.34 C ATOM 1136 CE LYS A 72 -5.683 -18.992 2.366 1.00 73.23 C ATOM 1137 NZ LYS A 72 -7.030 -18.445 2.069 1.00 75.53 N ATOM 0 H LYS A 72 -2.953 -17.703 -1.103 1.00 22.04 H new ATOM 0 HA LYS A 72 -3.408 -19.658 -3.132 1.00 34.13 H new ATOM 0 HB2 LYS A 72 -4.932 -20.632 -1.419 1.00 33.30 H new ATOM 0 HB3 LYS A 72 -3.342 -20.264 -0.779 1.00 33.30 H new ATOM 0 HG2 LYS A 72 -4.255 -18.141 0.198 1.00 15.31 H new ATOM 0 HG3 LYS A 72 -5.846 -18.573 -0.395 1.00 15.31 H new ATOM 0 HD2 LYS A 72 -5.843 -20.625 0.979 1.00 51.34 H new ATOM 0 HD3 LYS A 72 -4.206 -20.297 1.511 1.00 51.34 H new ATOM 0 HE2 LYS A 72 -5.731 -19.607 3.265 1.00 73.23 H new ATOM 0 HE3 LYS A 72 -4.997 -18.172 2.577 1.00 73.23 H new ATOM 0 HZ1 LYS A 72 -7.400 -17.957 2.910 1.00 75.53 H new ATOM 0 HZ2 LYS A 72 -6.965 -17.772 1.279 1.00 75.53 H new ATOM 0 HZ3 LYS A 72 -7.671 -19.222 1.810 1.00 75.53 H new ATOM 1151 N LEU A 73 -5.354 -17.222 -3.280 1.00 63.30 N ATOM 1152 CA LEU A 73 -6.508 -16.613 -3.955 1.00 11.04 C ATOM 1153 C LEU A 73 -6.339 -16.681 -5.490 1.00 22.44 C ATOM 1154 O LEU A 73 -7.317 -16.637 -6.242 1.00 12.30 O ATOM 1155 CB LEU A 73 -6.656 -15.156 -3.450 1.00 11.41 C ATOM 1156 CG LEU A 73 -7.903 -14.358 -3.907 1.00 24.30 C ATOM 1157 CD1 LEU A 73 -7.684 -13.703 -5.269 1.00 62.25 C ATOM 1158 CD2 LEU A 73 -9.146 -15.246 -3.932 1.00 65.45 C ATOM 0 H LEU A 73 -4.660 -16.547 -2.958 1.00 63.30 H new ATOM 0 HA LEU A 73 -7.419 -17.162 -3.718 1.00 11.04 H new ATOM 0 HB2 LEU A 73 -6.652 -15.177 -2.360 1.00 11.41 H new ATOM 0 HB3 LEU A 73 -5.771 -14.602 -3.761 1.00 11.41 H new ATOM 0 HG LEU A 73 -8.063 -13.564 -3.177 1.00 24.30 H new ATOM 0 HD11 LEU A 73 -8.580 -13.152 -5.556 1.00 62.25 H new ATOM 0 HD12 LEU A 73 -6.839 -13.017 -5.211 1.00 62.25 H new ATOM 0 HD13 LEU A 73 -7.476 -14.472 -6.013 1.00 62.25 H new ATOM 0 HD21 LEU A 73 -10.006 -14.660 -4.256 1.00 65.45 H new ATOM 0 HD22 LEU A 73 -8.989 -16.073 -4.625 1.00 65.45 H new ATOM 0 HD23 LEU A 73 -9.332 -15.640 -2.933 1.00 65.45 H new ATOM 1170 N LEU A 74 -5.090 -16.821 -5.937 1.00 74.40 N ATOM 1171 CA LEU A 74 -4.753 -16.873 -7.369 1.00 45.41 C ATOM 1172 C LEU A 74 -5.346 -18.132 -8.046 1.00 4.22 C ATOM 1173 O LEU A 74 -5.226 -19.240 -7.520 1.00 63.13 O ATOM 1174 CB LEU A 74 -3.213 -16.826 -7.510 1.00 11.34 C ATOM 1175 CG LEU A 74 -2.638 -16.719 -8.940 1.00 53.20 C ATOM 1176 CD1 LEU A 74 -1.242 -16.097 -8.908 1.00 51.23 C ATOM 1177 CD2 LEU A 74 -2.576 -18.087 -9.618 1.00 65.43 C ATOM 0 H LEU A 74 -4.281 -16.902 -5.321 1.00 74.40 H new ATOM 0 HA LEU A 74 -5.193 -16.015 -7.878 1.00 45.41 H new ATOM 0 HB2 LEU A 74 -2.847 -15.976 -6.934 1.00 11.34 H new ATOM 0 HB3 LEU A 74 -2.804 -17.724 -7.048 1.00 11.34 H new ATOM 0 HG LEU A 74 -3.306 -16.079 -9.517 1.00 53.20 H new ATOM 0 HD11 LEU A 74 -0.851 -16.029 -9.923 1.00 51.23 H new ATOM 0 HD12 LEU A 74 -1.298 -15.099 -8.473 1.00 51.23 H new ATOM 0 HD13 LEU A 74 -0.580 -16.719 -8.305 1.00 51.23 H new ATOM 0 HD21 LEU A 74 -2.167 -17.977 -10.622 1.00 65.43 H new ATOM 0 HD22 LEU A 74 -1.937 -18.752 -9.037 1.00 65.43 H new ATOM 0 HD23 LEU A 74 -3.579 -18.509 -9.679 1.00 65.43 H new ATOM 1189 N PRO A 75 -5.997 -17.980 -9.223 1.00 52.41 N ATOM 1190 CA PRO A 75 -6.616 -19.112 -9.942 1.00 21.04 C ATOM 1191 C PRO A 75 -5.581 -20.040 -10.613 1.00 62.22 C ATOM 1192 O PRO A 75 -4.720 -19.589 -11.372 1.00 24.04 O ATOM 1193 CB PRO A 75 -7.489 -18.417 -10.996 1.00 21.22 C ATOM 1194 CG PRO A 75 -6.797 -17.121 -11.257 1.00 12.42 C ATOM 1195 CD PRO A 75 -6.182 -16.703 -9.945 1.00 14.50 C ATOM 0 HA PRO A 75 -7.169 -19.768 -9.269 1.00 21.04 H new ATOM 0 HB2 PRO A 75 -7.567 -19.015 -11.904 1.00 21.22 H new ATOM 0 HB3 PRO A 75 -8.503 -18.259 -10.630 1.00 21.22 H new ATOM 0 HG2 PRO A 75 -6.033 -17.235 -12.026 1.00 12.42 H new ATOM 0 HG3 PRO A 75 -7.500 -16.369 -11.615 1.00 12.42 H new ATOM 0 HD2 PRO A 75 -5.234 -16.186 -10.094 1.00 14.50 H new ATOM 0 HD3 PRO A 75 -6.833 -16.023 -9.396 1.00 14.50 H new ATOM 1203 N TYR A 76 -5.681 -21.342 -10.347 1.00 55.43 N ATOM 1204 CA TYR A 76 -4.707 -22.311 -10.862 1.00 2.21 C ATOM 1205 C TYR A 76 -4.821 -22.526 -12.386 1.00 42.44 C ATOM 1206 O TYR A 76 -5.679 -23.272 -12.861 1.00 14.21 O ATOM 1207 CB TYR A 76 -4.857 -23.659 -10.138 1.00 41.11 C ATOM 1208 CG TYR A 76 -4.426 -23.634 -8.680 1.00 75.35 C ATOM 1209 CD1 TYR A 76 -3.084 -23.762 -8.332 1.00 22.30 C ATOM 1210 CD2 TYR A 76 -5.357 -23.491 -7.654 1.00 33.41 C ATOM 1211 CE1 TYR A 76 -2.683 -23.747 -7.011 1.00 12.42 C ATOM 1212 CE2 TYR A 76 -4.962 -23.474 -6.330 1.00 34.13 C ATOM 1213 CZ TYR A 76 -3.624 -23.603 -6.013 1.00 44.52 C ATOM 1214 OH TYR A 76 -3.225 -23.590 -4.694 1.00 13.22 O ATOM 0 H TYR A 76 -6.423 -21.752 -9.780 1.00 55.43 H new ATOM 0 HA TYR A 76 -3.720 -21.891 -10.666 1.00 2.21 H new ATOM 0 HB2 TYR A 76 -5.899 -23.974 -10.192 1.00 41.11 H new ATOM 0 HB3 TYR A 76 -4.269 -24.410 -10.666 1.00 41.11 H new ATOM 0 HD1 TYR A 76 -2.343 -23.875 -9.110 1.00 22.30 H new ATOM 0 HD2 TYR A 76 -6.405 -23.392 -7.897 1.00 33.41 H new ATOM 0 HE1 TYR A 76 -1.637 -23.848 -6.760 1.00 12.42 H new ATOM 0 HE2 TYR A 76 -5.696 -23.360 -5.546 1.00 34.13 H new ATOM 0 HH TYR A 76 -4.009 -23.480 -4.116 1.00 13.22 H new ATOM 1224 N ASP A 77 -3.960 -21.847 -13.141 1.00 61.52 N ATOM 1225 CA ASP A 77 -3.765 -22.134 -14.568 1.00 53.31 C ATOM 1226 C ASP A 77 -2.382 -22.771 -14.775 1.00 71.01 C ATOM 1227 O ASP A 77 -1.411 -22.355 -14.152 1.00 53.31 O ATOM 1228 CB ASP A 77 -3.893 -20.850 -15.397 1.00 25.24 C ATOM 1229 CG ASP A 77 -3.692 -21.096 -16.887 1.00 0.50 C ATOM 1230 OD1 ASP A 77 -4.682 -21.411 -17.580 1.00 23.42 O ATOM 1231 OD2 ASP A 77 -2.541 -20.992 -17.368 1.00 51.30 O ATOM 0 H ASP A 77 -3.379 -21.086 -12.788 1.00 61.52 H new ATOM 0 HA ASP A 77 -4.535 -22.830 -14.902 1.00 53.31 H new ATOM 0 HB2 ASP A 77 -4.878 -20.412 -15.234 1.00 25.24 H new ATOM 0 HB3 ASP A 77 -3.159 -20.122 -15.050 1.00 25.24 H new ATOM 1236 N LYS A 78 -2.290 -23.763 -15.653 1.00 34.22 N ATOM 1237 CA LYS A 78 -1.053 -24.547 -15.800 1.00 2.10 C ATOM 1238 C LYS A 78 0.195 -23.675 -16.069 1.00 31.20 C ATOM 1239 O LYS A 78 1.137 -23.671 -15.270 1.00 34.32 O ATOM 1240 CB LYS A 78 -1.223 -25.606 -16.896 1.00 5.24 C ATOM 1241 CG LYS A 78 -2.208 -26.710 -16.515 1.00 71.13 C ATOM 1242 CD LYS A 78 -2.329 -27.780 -17.598 1.00 54.00 C ATOM 1243 CE LYS A 78 -2.996 -27.246 -18.859 1.00 32.44 C ATOM 1244 NZ LYS A 78 -4.372 -26.752 -18.587 1.00 22.42 N ATOM 0 H LYS A 78 -3.048 -24.048 -16.274 1.00 34.22 H new ATOM 0 HA LYS A 78 -0.878 -25.039 -14.843 1.00 2.10 H new ATOM 0 HB2 LYS A 78 -1.565 -25.122 -17.811 1.00 5.24 H new ATOM 0 HB3 LYS A 78 -0.253 -26.052 -17.115 1.00 5.24 H new ATOM 0 HG2 LYS A 78 -1.886 -27.175 -15.583 1.00 71.13 H new ATOM 0 HG3 LYS A 78 -3.188 -26.271 -16.330 1.00 71.13 H new ATOM 0 HD2 LYS A 78 -1.337 -28.158 -17.845 1.00 54.00 H new ATOM 0 HD3 LYS A 78 -2.904 -28.622 -17.213 1.00 54.00 H new ATOM 0 HE2 LYS A 78 -2.395 -26.437 -19.274 1.00 32.44 H new ATOM 0 HE3 LYS A 78 -3.034 -28.033 -19.612 1.00 32.44 H new ATOM 0 HZ1 LYS A 78 -4.889 -26.652 -19.484 1.00 22.42 H new ATOM 0 HZ2 LYS A 78 -4.869 -27.430 -17.975 1.00 22.42 H new ATOM 0 HZ3 LYS A 78 -4.322 -25.828 -18.112 1.00 22.42 H new ATOM 1258 N ARG A 79 0.203 -22.933 -17.177 1.00 74.30 N ATOM 1259 CA ARG A 79 1.374 -22.118 -17.546 1.00 23.33 C ATOM 1260 C ARG A 79 1.418 -20.782 -16.785 1.00 52.45 C ATOM 1261 O ARG A 79 2.497 -20.312 -16.398 1.00 1.20 O ATOM 1262 CB ARG A 79 1.395 -21.867 -19.057 1.00 61.21 C ATOM 1263 CG ARG A 79 1.511 -23.147 -19.880 1.00 45.33 C ATOM 1264 CD ARG A 79 1.582 -22.862 -21.375 1.00 23.53 C ATOM 1265 NE ARG A 79 0.407 -22.138 -21.856 1.00 32.51 N ATOM 1266 CZ ARG A 79 0.149 -21.918 -23.115 1.00 63.14 C ATOM 1267 NH1 ARG A 79 0.972 -22.312 -24.037 1.00 65.21 N ATOM 1268 NH2 ARG A 79 -0.927 -21.281 -23.448 1.00 23.34 N ATOM 0 H ARG A 79 -0.577 -22.875 -17.832 1.00 74.30 H new ATOM 0 HA ARG A 79 2.261 -22.683 -17.261 1.00 23.33 H new ATOM 0 HB2 ARG A 79 0.485 -21.340 -19.343 1.00 61.21 H new ATOM 0 HB3 ARG A 79 2.232 -21.211 -19.298 1.00 61.21 H new ATOM 0 HG2 ARG A 79 2.402 -23.695 -19.573 1.00 45.33 H new ATOM 0 HG3 ARG A 79 0.655 -23.789 -19.674 1.00 45.33 H new ATOM 0 HD2 ARG A 79 2.478 -22.280 -21.590 1.00 23.53 H new ATOM 0 HD3 ARG A 79 1.675 -23.802 -21.918 1.00 23.53 H new ATOM 0 HE ARG A 79 -0.252 -21.783 -21.164 1.00 32.51 H new ATOM 0 HH11 ARG A 79 1.831 -22.799 -23.780 1.00 65.21 H new ATOM 0 HH12 ARG A 79 0.761 -22.135 -25.019 1.00 65.21 H new ATOM 0 HH21 ARG A 79 -1.569 -20.953 -22.727 1.00 23.34 H new ATOM 0 HH22 ARG A 79 -1.133 -21.107 -24.432 1.00 23.34 H new ATOM 1282 N LEU A 80 0.253 -20.172 -16.573 1.00 32.11 N ATOM 1283 CA LEU A 80 0.164 -18.923 -15.808 1.00 0.53 C ATOM 1284 C LEU A 80 0.706 -19.125 -14.384 1.00 32.44 C ATOM 1285 O LEU A 80 1.620 -18.421 -13.948 1.00 11.54 O ATOM 1286 CB LEU A 80 -1.294 -18.424 -15.786 1.00 12.12 C ATOM 1287 CG LEU A 80 -1.573 -17.133 -14.984 1.00 55.00 C ATOM 1288 CD1 LEU A 80 -2.728 -16.352 -15.609 1.00 24.21 C ATOM 1289 CD2 LEU A 80 -1.896 -17.453 -13.522 1.00 23.20 C ATOM 0 H LEU A 80 -0.642 -20.519 -16.918 1.00 32.11 H new ATOM 0 HA LEU A 80 0.778 -18.163 -16.292 1.00 0.53 H new ATOM 0 HB2 LEU A 80 -1.614 -18.261 -16.815 1.00 12.12 H new ATOM 0 HB3 LEU A 80 -1.920 -19.219 -15.380 1.00 12.12 H new ATOM 0 HG LEU A 80 -0.671 -16.521 -15.015 1.00 55.00 H new ATOM 0 HD11 LEU A 80 -2.910 -15.446 -15.031 1.00 24.21 H new ATOM 0 HD12 LEU A 80 -2.473 -16.083 -16.634 1.00 24.21 H new ATOM 0 HD13 LEU A 80 -3.627 -16.969 -15.609 1.00 24.21 H new ATOM 0 HD21 LEU A 80 -2.088 -16.527 -12.981 1.00 23.20 H new ATOM 0 HD22 LEU A 80 -2.779 -18.090 -13.476 1.00 23.20 H new ATOM 0 HD23 LEU A 80 -1.051 -17.970 -13.068 1.00 23.20 H new ATOM 1301 N ALA A 81 0.155 -20.108 -13.671 1.00 3.23 N ATOM 1302 CA ALA A 81 0.619 -20.428 -12.321 1.00 24.42 C ATOM 1303 C ALA A 81 2.069 -20.932 -12.332 1.00 12.22 C ATOM 1304 O ALA A 81 2.823 -20.671 -11.401 1.00 32.35 O ATOM 1305 CB ALA A 81 -0.299 -21.449 -11.658 1.00 21.15 C ATOM 0 H ALA A 81 -0.610 -20.694 -14.004 1.00 3.23 H new ATOM 0 HA ALA A 81 0.589 -19.508 -11.737 1.00 24.42 H new ATOM 0 HB1 ALA A 81 0.067 -21.670 -10.655 1.00 21.15 H new ATOM 0 HB2 ALA A 81 -1.309 -21.043 -11.594 1.00 21.15 H new ATOM 0 HB3 ALA A 81 -0.313 -22.364 -12.250 1.00 21.15 H new ATOM 1311 N TRP A 82 2.458 -21.652 -13.389 1.00 22.32 N ATOM 1312 CA TRP A 82 3.851 -22.099 -13.539 1.00 4.21 C ATOM 1313 C TRP A 82 4.832 -20.939 -13.314 1.00 12.43 C ATOM 1314 O TRP A 82 5.609 -20.960 -12.366 1.00 2.00 O ATOM 1315 CB TRP A 82 4.073 -22.731 -14.926 1.00 34.04 C ATOM 1316 CG TRP A 82 5.520 -22.984 -15.282 1.00 22.10 C ATOM 1317 CD1 TRP A 82 6.557 -23.258 -14.428 1.00 13.31 C ATOM 1318 CD2 TRP A 82 6.081 -23.002 -16.600 1.00 54.03 C ATOM 1319 NE1 TRP A 82 7.725 -23.409 -15.135 1.00 50.23 N ATOM 1320 CE2 TRP A 82 7.458 -23.266 -16.469 1.00 74.21 C ATOM 1321 CE3 TRP A 82 5.550 -22.810 -17.877 1.00 43.12 C ATOM 1322 CZ2 TRP A 82 8.309 -23.346 -17.570 1.00 15.53 C ATOM 1323 CZ3 TRP A 82 6.393 -22.891 -18.967 1.00 42.13 C ATOM 1324 CH2 TRP A 82 7.760 -23.158 -18.809 1.00 3.03 C ATOM 0 H TRP A 82 1.838 -21.936 -14.147 1.00 22.32 H new ATOM 0 HA TRP A 82 4.043 -22.856 -12.779 1.00 4.21 H new ATOM 0 HB2 TRP A 82 3.532 -23.676 -14.970 1.00 34.04 H new ATOM 0 HB3 TRP A 82 3.636 -22.078 -15.682 1.00 34.04 H new ATOM 0 HD1 TRP A 82 6.468 -23.343 -13.355 1.00 13.31 H new ATOM 0 HE1 TRP A 82 8.642 -23.597 -14.731 1.00 50.23 H new ATOM 0 HE3 TRP A 82 4.499 -22.602 -18.010 1.00 43.12 H new ATOM 0 HZ2 TRP A 82 9.363 -23.549 -17.449 1.00 15.53 H new ATOM 0 HZ3 TRP A 82 5.992 -22.746 -19.959 1.00 42.13 H new ATOM 0 HH2 TRP A 82 8.392 -23.216 -19.683 1.00 3.03 H new ATOM 1335 N HIS A 83 4.779 -19.920 -14.168 1.00 53.24 N ATOM 1336 CA HIS A 83 5.728 -18.801 -14.074 1.00 73.45 C ATOM 1337 C HIS A 83 5.492 -17.931 -12.826 1.00 52.20 C ATOM 1338 O HIS A 83 6.444 -17.478 -12.193 1.00 64.12 O ATOM 1339 CB HIS A 83 5.678 -17.947 -15.345 1.00 72.31 C ATOM 1340 CG HIS A 83 6.256 -18.646 -16.542 1.00 52.52 C ATOM 1341 ND1 HIS A 83 5.844 -18.407 -17.838 1.00 1.32 N ATOM 1342 CD2 HIS A 83 7.239 -19.576 -16.633 1.00 23.44 C ATOM 1343 CE1 HIS A 83 6.540 -19.161 -18.666 1.00 41.53 C ATOM 1344 NE2 HIS A 83 7.394 -19.877 -17.963 1.00 33.41 N ATOM 0 H HIS A 83 4.100 -19.841 -14.925 1.00 53.24 H new ATOM 0 HA HIS A 83 6.723 -19.234 -13.975 1.00 73.45 H new ATOM 0 HB2 HIS A 83 4.643 -17.675 -15.554 1.00 72.31 H new ATOM 0 HB3 HIS A 83 6.223 -17.019 -15.174 1.00 72.31 H new ATOM 0 HD1 HIS A 83 5.114 -17.749 -18.112 1.00 1.32 H new ATOM 0 HD2 HIS A 83 7.796 -20.001 -15.811 1.00 23.44 H new ATOM 0 HE1 HIS A 83 6.429 -19.187 -19.740 1.00 41.53 H new ATOM 1353 N PHE A 84 4.232 -17.708 -12.466 1.00 11.15 N ATOM 1354 CA PHE A 84 3.903 -16.897 -11.283 1.00 64.41 C ATOM 1355 C PHE A 84 4.449 -17.524 -9.984 1.00 33.13 C ATOM 1356 O PHE A 84 4.978 -16.823 -9.118 1.00 53.00 O ATOM 1357 CB PHE A 84 2.385 -16.687 -11.185 1.00 51.24 C ATOM 1358 CG PHE A 84 1.819 -15.751 -12.237 1.00 51.13 C ATOM 1359 CD1 PHE A 84 2.569 -15.379 -13.350 1.00 53.04 C ATOM 1360 CD2 PHE A 84 0.534 -15.242 -12.111 1.00 12.32 C ATOM 1361 CE1 PHE A 84 2.049 -14.525 -14.304 1.00 3.20 C ATOM 1362 CE2 PHE A 84 0.012 -14.388 -13.066 1.00 10.44 C ATOM 1363 CZ PHE A 84 0.770 -14.030 -14.162 1.00 55.43 C ATOM 0 H PHE A 84 3.422 -18.072 -12.968 1.00 11.15 H new ATOM 0 HA PHE A 84 4.388 -15.928 -11.404 1.00 64.41 H new ATOM 0 HB2 PHE A 84 1.889 -17.654 -11.270 1.00 51.24 H new ATOM 0 HB3 PHE A 84 2.147 -16.292 -10.197 1.00 51.24 H new ATOM 0 HD1 PHE A 84 3.571 -15.763 -13.469 1.00 53.04 H new ATOM 0 HD2 PHE A 84 -0.066 -15.516 -11.256 1.00 12.32 H new ATOM 0 HE1 PHE A 84 2.644 -14.245 -15.161 1.00 3.20 H new ATOM 0 HE2 PHE A 84 -0.990 -14.001 -12.954 1.00 10.44 H new ATOM 0 HZ PHE A 84 0.362 -13.363 -14.907 1.00 55.43 H new ATOM 1373 N LYS A 85 4.314 -18.839 -9.850 1.00 53.53 N ATOM 1374 CA LYS A 85 4.902 -19.570 -8.722 1.00 12.34 C ATOM 1375 C LYS A 85 6.427 -19.704 -8.890 1.00 15.33 C ATOM 1376 O LYS A 85 7.177 -19.564 -7.930 1.00 51.43 O ATOM 1377 CB LYS A 85 4.270 -20.968 -8.588 1.00 55.35 C ATOM 1378 CG LYS A 85 2.890 -20.999 -7.917 1.00 65.02 C ATOM 1379 CD LYS A 85 1.844 -20.155 -8.650 1.00 0.43 C ATOM 1380 CE LYS A 85 0.422 -20.466 -8.184 1.00 52.12 C ATOM 1381 NZ LYS A 85 0.261 -20.280 -6.725 1.00 2.30 N ATOM 0 H LYS A 85 3.802 -19.426 -10.508 1.00 53.53 H new ATOM 0 HA LYS A 85 4.697 -19.001 -7.815 1.00 12.34 H new ATOM 0 HB2 LYS A 85 4.183 -21.407 -9.582 1.00 55.35 H new ATOM 0 HB3 LYS A 85 4.948 -21.603 -8.018 1.00 55.35 H new ATOM 0 HG2 LYS A 85 2.542 -22.031 -7.863 1.00 65.02 H new ATOM 0 HG3 LYS A 85 2.983 -20.640 -6.892 1.00 65.02 H new ATOM 0 HD2 LYS A 85 2.054 -19.098 -8.488 1.00 0.43 H new ATOM 0 HD3 LYS A 85 1.921 -20.335 -9.722 1.00 0.43 H new ATOM 0 HE2 LYS A 85 -0.281 -19.821 -8.711 1.00 52.12 H new ATOM 0 HE3 LYS A 85 0.171 -21.493 -8.448 1.00 52.12 H new ATOM 0 HZ1 LYS A 85 -0.744 -20.369 -6.473 1.00 2.30 H new ATOM 0 HZ2 LYS A 85 0.810 -21.004 -6.220 1.00 2.30 H new ATOM 0 HZ3 LYS A 85 0.603 -19.336 -6.456 1.00 2.30 H new ATOM 1395 N GLU A 86 6.866 -19.966 -10.120 1.00 42.01 N ATOM 1396 CA GLU A 86 8.295 -20.155 -10.434 1.00 71.01 C ATOM 1397 C GLU A 86 9.141 -18.928 -10.036 1.00 73.32 C ATOM 1398 O GLU A 86 10.186 -19.062 -9.400 1.00 63.31 O ATOM 1399 CB GLU A 86 8.452 -20.453 -11.939 1.00 30.15 C ATOM 1400 CG GLU A 86 9.886 -20.685 -12.407 1.00 4.41 C ATOM 1401 CD GLU A 86 9.964 -21.118 -13.870 1.00 75.33 C ATOM 1402 OE1 GLU A 86 9.850 -20.246 -14.756 1.00 2.20 O ATOM 1403 OE2 GLU A 86 10.136 -22.332 -14.135 1.00 60.20 O ATOM 0 H GLU A 86 6.250 -20.054 -10.928 1.00 42.01 H new ATOM 0 HA GLU A 86 8.663 -20.999 -9.850 1.00 71.01 H new ATOM 0 HB2 GLU A 86 7.860 -21.335 -12.183 1.00 30.15 H new ATOM 0 HB3 GLU A 86 8.032 -19.621 -12.504 1.00 30.15 H new ATOM 0 HG2 GLU A 86 10.461 -19.769 -12.272 1.00 4.41 H new ATOM 0 HG3 GLU A 86 10.350 -21.447 -11.781 1.00 4.41 H new ATOM 1410 N PHE A 87 8.674 -17.735 -10.402 1.00 15.33 N ATOM 1411 CA PHE A 87 9.408 -16.491 -10.124 1.00 33.41 C ATOM 1412 C PHE A 87 9.120 -15.928 -8.721 1.00 24.21 C ATOM 1413 O PHE A 87 10.017 -15.388 -8.069 1.00 73.31 O ATOM 1414 CB PHE A 87 9.088 -15.441 -11.199 1.00 51.55 C ATOM 1415 CG PHE A 87 9.763 -15.718 -12.522 1.00 53.11 C ATOM 1416 CD1 PHE A 87 9.417 -16.830 -13.275 1.00 43.50 C ATOM 1417 CD2 PHE A 87 10.752 -14.873 -13.004 1.00 1.50 C ATOM 1418 CE1 PHE A 87 10.045 -17.093 -14.479 1.00 42.12 C ATOM 1419 CE2 PHE A 87 11.379 -15.130 -14.207 1.00 1.32 C ATOM 1420 CZ PHE A 87 11.027 -16.241 -14.945 1.00 31.22 C ATOM 0 H PHE A 87 7.790 -17.599 -10.893 1.00 15.33 H new ATOM 0 HA PHE A 87 10.471 -16.733 -10.151 1.00 33.41 H new ATOM 0 HB2 PHE A 87 8.009 -15.402 -11.350 1.00 51.55 H new ATOM 0 HB3 PHE A 87 9.395 -14.458 -10.841 1.00 51.55 H new ATOM 0 HD1 PHE A 87 8.648 -17.499 -12.917 1.00 43.50 H new ATOM 0 HD2 PHE A 87 11.035 -14.003 -12.431 1.00 1.50 H new ATOM 0 HE1 PHE A 87 9.768 -17.964 -15.054 1.00 42.12 H new ATOM 0 HE2 PHE A 87 12.145 -14.461 -14.570 1.00 1.32 H new ATOM 0 HZ PHE A 87 11.518 -16.444 -15.885 1.00 31.22 H new ATOM 1430 N CYS A 88 7.875 -16.044 -8.253 1.00 3.33 N ATOM 1431 CA CYS A 88 7.502 -15.510 -6.932 1.00 14.30 C ATOM 1432 C CYS A 88 7.687 -16.547 -5.812 1.00 51.24 C ATOM 1433 O CYS A 88 8.444 -16.334 -4.869 1.00 65.12 O ATOM 1434 CB CYS A 88 6.039 -15.044 -6.930 1.00 23.11 C ATOM 1435 SG CYS A 88 5.630 -13.817 -8.195 1.00 31.22 S ATOM 0 H CYS A 88 7.113 -16.496 -8.758 1.00 3.33 H new ATOM 0 HA CYS A 88 8.167 -14.668 -6.740 1.00 14.30 H new ATOM 0 HB2 CYS A 88 5.396 -15.913 -7.066 1.00 23.11 H new ATOM 0 HB3 CYS A 88 5.807 -14.626 -5.950 1.00 23.11 H new ATOM 0 HG CYS A 88 5.148 -14.418 -9.242 1.00 31.22 H new ATOM 1441 N TYR A 89 6.990 -17.672 -5.936 1.00 42.23 N ATOM 1442 CA TYR A 89 6.871 -18.648 -4.840 1.00 54.11 C ATOM 1443 C TYR A 89 8.132 -19.513 -4.671 1.00 52.42 C ATOM 1444 O TYR A 89 8.482 -19.904 -3.554 1.00 11.43 O ATOM 1445 CB TYR A 89 5.642 -19.536 -5.087 1.00 74.34 C ATOM 1446 CG TYR A 89 5.298 -20.471 -3.943 1.00 60.23 C ATOM 1447 CD1 TYR A 89 4.740 -19.979 -2.767 1.00 52.31 C ATOM 1448 CD2 TYR A 89 5.519 -21.842 -4.041 1.00 11.23 C ATOM 1449 CE1 TYR A 89 4.415 -20.824 -1.724 1.00 42.14 C ATOM 1450 CE2 TYR A 89 5.192 -22.693 -3.001 1.00 65.44 C ATOM 1451 CZ TYR A 89 4.641 -22.178 -1.846 1.00 22.51 C ATOM 1452 OH TYR A 89 4.313 -23.021 -0.807 1.00 55.13 O ATOM 0 H TYR A 89 6.494 -17.938 -6.787 1.00 42.23 H new ATOM 0 HA TYR A 89 6.754 -18.090 -3.911 1.00 54.11 H new ATOM 0 HB2 TYR A 89 4.782 -18.896 -5.287 1.00 74.34 H new ATOM 0 HB3 TYR A 89 5.814 -20.130 -5.985 1.00 74.34 H new ATOM 0 HD1 TYR A 89 4.558 -18.919 -2.668 1.00 52.31 H new ATOM 0 HD2 TYR A 89 5.953 -22.247 -4.943 1.00 11.23 H new ATOM 0 HE1 TYR A 89 3.986 -20.425 -0.817 1.00 42.14 H new ATOM 0 HE2 TYR A 89 5.367 -23.755 -3.093 1.00 65.44 H new ATOM 0 HH TYR A 89 4.534 -23.944 -1.052 1.00 55.13 H new ATOM 1462 N LYS A 90 8.811 -19.814 -5.772 1.00 71.44 N ATOM 1463 CA LYS A 90 9.995 -20.679 -5.735 1.00 65.21 C ATOM 1464 C LYS A 90 11.302 -19.876 -5.662 1.00 25.35 C ATOM 1465 O LYS A 90 11.923 -19.574 -6.681 1.00 64.32 O ATOM 1466 CB LYS A 90 10.014 -21.619 -6.951 1.00 14.31 C ATOM 1467 CG LYS A 90 8.941 -22.706 -6.907 1.00 65.44 C ATOM 1468 CD LYS A 90 9.107 -23.621 -5.692 1.00 33.25 C ATOM 1469 CE LYS A 90 10.461 -24.329 -5.689 1.00 31.54 C ATOM 1470 NZ LYS A 90 10.659 -25.150 -4.466 1.00 1.33 N ATOM 0 H LYS A 90 8.566 -19.475 -6.702 1.00 71.44 H new ATOM 0 HA LYS A 90 9.928 -21.273 -4.824 1.00 65.21 H new ATOM 0 HB2 LYS A 90 9.882 -21.028 -7.857 1.00 14.31 H new ATOM 0 HB3 LYS A 90 10.994 -22.091 -7.018 1.00 14.31 H new ATOM 0 HG2 LYS A 90 7.955 -22.242 -6.880 1.00 65.44 H new ATOM 0 HG3 LYS A 90 8.989 -23.301 -7.819 1.00 65.44 H new ATOM 0 HD2 LYS A 90 9.003 -23.034 -4.779 1.00 33.25 H new ATOM 0 HD3 LYS A 90 8.309 -24.364 -5.686 1.00 33.25 H new ATOM 0 HE2 LYS A 90 10.538 -24.967 -6.570 1.00 31.54 H new ATOM 0 HE3 LYS A 90 11.257 -23.588 -5.761 1.00 31.54 H new ATOM 0 HZ1 LYS A 90 11.590 -25.612 -4.505 1.00 1.33 H new ATOM 0 HZ2 LYS A 90 10.611 -24.539 -3.626 1.00 1.33 H new ATOM 0 HZ3 LYS A 90 9.915 -25.874 -4.410 1.00 1.33 H new ATOM 1484 N THR A 91 11.713 -19.535 -4.444 1.00 32.25 N ATOM 1485 CA THR A 91 12.983 -18.831 -4.223 1.00 53.23 C ATOM 1486 C THR A 91 14.187 -19.712 -4.592 1.00 10.44 C ATOM 1487 O THR A 91 14.470 -20.710 -3.924 1.00 22.20 O ATOM 1488 CB THR A 91 13.132 -18.348 -2.756 1.00 62.41 C ATOM 1489 OG1 THR A 91 14.464 -17.860 -2.531 1.00 61.01 O ATOM 1490 CG2 THR A 91 12.816 -19.463 -1.761 1.00 3.40 C ATOM 0 H THR A 91 11.189 -19.733 -3.592 1.00 32.25 H new ATOM 0 HA THR A 91 12.966 -17.959 -4.876 1.00 53.23 H new ATOM 0 HB THR A 91 12.415 -17.542 -2.598 1.00 62.41 H new ATOM 0 HG1 THR A 91 14.549 -17.556 -1.603 1.00 61.01 H new ATOM 0 HG21 THR A 91 12.931 -19.087 -0.744 1.00 3.40 H new ATOM 0 HG22 THR A 91 11.791 -19.802 -1.908 1.00 3.40 H new ATOM 0 HG23 THR A 91 13.500 -20.297 -1.919 1.00 3.40 H new ATOM 1498 N SER A 92 14.867 -19.362 -5.681 1.00 65.40 N ATOM 1499 CA SER A 92 16.055 -20.103 -6.135 1.00 4.13 C ATOM 1500 C SER A 92 17.236 -19.151 -6.392 1.00 30.24 C ATOM 1501 O SER A 92 17.304 -18.504 -7.436 1.00 43.20 O ATOM 1502 CB SER A 92 15.727 -20.897 -7.409 1.00 31.10 C ATOM 1503 OG SER A 92 14.614 -21.756 -7.207 1.00 74.55 O ATOM 0 H SER A 92 14.619 -18.568 -6.271 1.00 65.40 H new ATOM 0 HA SER A 92 16.345 -20.797 -5.346 1.00 4.13 H new ATOM 0 HB2 SER A 92 15.514 -20.207 -8.226 1.00 31.10 H new ATOM 0 HB3 SER A 92 16.595 -21.486 -7.707 1.00 31.10 H new ATOM 0 HG SER A 92 14.426 -22.248 -8.034 1.00 74.55 H new ATOM 1509 N ALA A 93 18.159 -19.061 -5.435 1.00 60.34 N ATOM 1510 CA ALA A 93 19.282 -18.113 -5.529 1.00 43.43 C ATOM 1511 C ALA A 93 20.596 -18.781 -5.975 1.00 55.13 C ATOM 1512 O ALA A 93 20.885 -19.923 -5.611 1.00 43.03 O ATOM 1513 CB ALA A 93 19.482 -17.412 -4.190 1.00 0.34 C ATOM 0 H ALA A 93 18.157 -19.628 -4.587 1.00 60.34 H new ATOM 0 HA ALA A 93 19.021 -17.386 -6.297 1.00 43.43 H new ATOM 0 HB1 ALA A 93 20.314 -16.712 -4.266 1.00 0.34 H new ATOM 0 HB2 ALA A 93 18.575 -16.869 -3.924 1.00 0.34 H new ATOM 0 HB3 ALA A 93 19.700 -18.153 -3.421 1.00 0.34 H new