USER MOD reduce.3.24.130724 H: found=0, std=0, add=571, rem=0, adj=21 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 20 MET CE :methyl 180:sc= -0.0136 (180deg=0) USER MOD Set 1.2: A 30 TYR OH : rot 1:sc= 1.3 USER MOD Set 2.1: A 8 LYS NZ :NH3+ 163:sc= 2.31 (180deg=0.68) USER MOD Set 2.2: A 11 GLN : amide:sc= -0.907! K(o=-0.91!,f=-7.8) USER MOD Set 2.3: A 22 GLN : amide:sc= -2.31! C(o=-0.91!,f=-13!) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0723 USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -2.84 K(o=-2.8,f=-2.3) USER MOD Single : A 6 ASN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 9 ASN : amide:sc= -0.209 K(o=-0.21,f=-5.4!) 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=-0.009) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot -106:sc= 0.157 USER MOD Single : A 21 SER OG : rot 72:sc= 0.802 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= 0.0948 K(o=0.095,f=-1.4) USER MOD Single : A 34 THR OG1 : rot 117:sc= 1.88 USER MOD Single : A 35 THR OG1 : rot 88:sc= 1.02 USER MOD Single : A 36 LYS NZ :NH3+ 171:sc=-0.00751 (180deg=-0.112) USER MOD Single : A 39 THR OG1 : rot 79:sc= 0.837 USER MOD Single : A 43 TYR OH : rot -132:sc= 1.49 USER MOD Single : A 44 TYR OH : rot 57:sc= -3.28! USER MOD Single : A 72 LYS NZ :NH3+ 150:sc= -0.177 (180deg=-0.821) 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= -1.05 K(o=-1.1,f=-2!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 CYS SG : rot 180:sc= 0 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 133:sc= 0.533 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N SER A 2 -0.774 -6.076 0.809 1.00 54.02 N ATOM 21 CA SER A 2 -2.149 -5.619 0.513 1.00 5.15 C ATOM 22 C SER A 2 -2.251 -4.848 -0.817 1.00 64.04 C ATOM 23 O SER A 2 -2.662 -5.413 -1.832 1.00 2.30 O ATOM 24 CB SER A 2 -2.719 -4.771 1.667 1.00 54.32 C ATOM 25 OG SER A 2 -1.966 -3.589 1.874 1.00 21.51 O ATOM 0 HA SER A 2 -2.750 -6.522 0.409 1.00 5.15 H new ATOM 0 HB2 SER A 2 -3.754 -4.509 1.448 1.00 54.32 H new ATOM 0 HB3 SER A 2 -2.727 -5.362 2.583 1.00 54.32 H new ATOM 0 HG SER A 2 -2.358 -3.077 2.612 1.00 21.51 H new ATOM 31 N TRP A 3 -1.864 -3.569 -0.812 1.00 24.15 N ATOM 32 CA TRP A 3 -1.961 -2.713 -2.006 1.00 63.21 C ATOM 33 C TRP A 3 -1.280 -3.358 -3.223 1.00 63.30 C ATOM 34 O TRP A 3 -1.860 -3.428 -4.307 1.00 21.45 O ATOM 35 CB TRP A 3 -1.331 -1.339 -1.734 1.00 52.12 C ATOM 36 CG TRP A 3 -1.919 -0.629 -0.549 1.00 1.45 C ATOM 37 CD1 TRP A 3 -3.176 -0.107 -0.444 1.00 62.31 C ATOM 38 CD2 TRP A 3 -1.267 -0.361 0.698 1.00 0.23 C ATOM 39 NE1 TRP A 3 -3.348 0.461 0.795 1.00 41.30 N ATOM 40 CE2 TRP A 3 -2.187 0.322 1.513 1.00 64.04 C ATOM 41 CE3 TRP A 3 0.008 -0.635 1.202 1.00 31.34 C ATOM 42 CZ2 TRP A 3 -1.873 0.735 2.808 1.00 15.13 C ATOM 43 CZ3 TRP A 3 0.319 -0.224 2.485 1.00 42.31 C ATOM 44 CH2 TRP A 3 -0.616 0.454 3.275 1.00 4.14 C ATOM 0 H TRP A 3 -1.479 -3.099 0.007 1.00 24.15 H new ATOM 0 HA TRP A 3 -3.020 -2.590 -2.232 1.00 63.21 H new ATOM 0 HB2 TRP A 3 -0.260 -1.465 -1.576 1.00 52.12 H new ATOM 0 HB3 TRP A 3 -1.451 -0.713 -2.618 1.00 52.12 H new ATOM 0 HD1 TRP A 3 -3.925 -0.136 -1.221 1.00 62.31 H new ATOM 0 HE1 TRP A 3 -4.200 0.913 1.127 1.00 41.30 H new ATOM 0 HE3 TRP A 3 0.737 -1.158 0.600 1.00 31.34 H new ATOM 0 HZ2 TRP A 3 -2.594 1.257 3.420 1.00 15.13 H new ATOM 0 HZ3 TRP A 3 1.301 -0.430 2.885 1.00 42.31 H new ATOM 0 HH2 TRP A 3 -0.341 0.762 4.273 1.00 4.14 H new ATOM 55 N MET A 4 -0.052 -3.839 -3.030 1.00 50.25 N ATOM 56 CA MET A 4 0.703 -4.501 -4.105 1.00 61.45 C ATOM 57 C MET A 4 -0.109 -5.647 -4.734 1.00 43.01 C ATOM 58 O MET A 4 -0.068 -5.864 -5.944 1.00 60.43 O ATOM 59 CB MET A 4 2.042 -5.040 -3.575 1.00 44.12 C ATOM 60 CG MET A 4 2.933 -3.975 -2.946 1.00 13.20 C ATOM 61 SD MET A 4 2.260 -3.336 -1.401 1.00 33.03 S ATOM 62 CE MET A 4 3.393 -1.988 -1.060 1.00 62.33 C ATOM 0 H MET A 4 0.445 -3.785 -2.141 1.00 50.25 H new ATOM 0 HA MET A 4 0.900 -3.755 -4.875 1.00 61.45 H new ATOM 0 HB2 MET A 4 1.843 -5.816 -2.836 1.00 44.12 H new ATOM 0 HB3 MET A 4 2.582 -5.513 -4.395 1.00 44.12 H new ATOM 0 HG2 MET A 4 3.921 -4.396 -2.761 1.00 13.20 H new ATOM 0 HG3 MET A 4 3.063 -3.153 -3.650 1.00 13.20 H new ATOM 0 HE1 MET A 4 3.104 -1.496 -0.132 1.00 62.33 H new ATOM 0 HE2 MET A 4 4.406 -2.380 -0.963 1.00 62.33 H new ATOM 0 HE3 MET A 4 3.359 -1.268 -1.878 1.00 62.33 H new ATOM 72 N GLN A 5 -0.854 -6.367 -3.900 1.00 13.32 N ATOM 73 CA GLN A 5 -1.691 -7.480 -4.361 1.00 70.55 C ATOM 74 C GLN A 5 -2.954 -6.977 -5.083 1.00 53.41 C ATOM 75 O GLN A 5 -3.292 -7.455 -6.166 1.00 2.32 O ATOM 76 CB GLN A 5 -2.085 -8.372 -3.174 1.00 13.41 C ATOM 77 CG GLN A 5 -0.939 -9.205 -2.596 1.00 34.44 C ATOM 78 CD GLN A 5 0.235 -8.377 -2.088 1.00 41.13 C ATOM 79 OE1 GLN A 5 0.267 -7.955 -0.937 1.00 60.22 O ATOM 80 NE2 GLN A 5 1.213 -8.148 -2.942 1.00 63.43 N ATOM 0 H GLN A 5 -0.898 -6.201 -2.895 1.00 13.32 H new ATOM 0 HA GLN A 5 -1.107 -8.062 -5.074 1.00 70.55 H new ATOM 0 HB2 GLN A 5 -2.494 -7.743 -2.384 1.00 13.41 H new ATOM 0 HB3 GLN A 5 -2.882 -9.045 -3.491 1.00 13.41 H new ATOM 0 HG2 GLN A 5 -1.323 -9.813 -1.777 1.00 34.44 H new ATOM 0 HG3 GLN A 5 -0.581 -9.892 -3.362 1.00 34.44 H new ATOM 0 HE21 GLN A 5 1.156 -8.513 -3.893 1.00 63.43 H new ATOM 0 HE22 GLN A 5 2.027 -7.606 -2.652 1.00 63.43 H new ATOM 89 N ASN A 6 -3.639 -6.003 -4.484 1.00 32.21 N ATOM 90 CA ASN A 6 -4.887 -5.469 -5.050 1.00 14.10 C ATOM 91 C ASN A 6 -4.655 -4.808 -6.419 1.00 61.23 C ATOM 92 O ASN A 6 -5.545 -4.798 -7.276 1.00 13.21 O ATOM 93 CB ASN A 6 -5.529 -4.458 -4.088 1.00 13.25 C ATOM 94 CG ASN A 6 -5.915 -5.074 -2.753 1.00 22.33 C ATOM 95 OD1 ASN A 6 -6.188 -6.266 -2.654 1.00 61.13 O ATOM 96 ND2 ASN A 6 -5.972 -4.260 -1.718 1.00 61.31 N ATOM 0 H ASN A 6 -3.355 -5.565 -3.608 1.00 32.21 H new ATOM 0 HA ASN A 6 -5.563 -6.312 -5.191 1.00 14.10 H new ATOM 0 HB2 ASN A 6 -4.834 -3.636 -3.916 1.00 13.25 H new ATOM 0 HB3 ASN A 6 -6.416 -4.032 -4.556 1.00 13.25 H new ATOM 0 HD21 ASN A 6 -6.249 -4.617 -0.803 1.00 61.31 H new ATOM 0 HD22 ASN A 6 -5.739 -3.273 -1.832 1.00 61.31 H new ATOM 103 N LEU A 7 -3.462 -4.246 -6.615 1.00 73.41 N ATOM 104 CA LEU A 7 -3.099 -3.616 -7.890 1.00 52.22 C ATOM 105 C LEU A 7 -2.531 -4.637 -8.893 1.00 12.23 C ATOM 106 O LEU A 7 -2.720 -4.497 -10.100 1.00 22.21 O ATOM 107 CB LEU A 7 -2.084 -2.478 -7.666 1.00 54.55 C ATOM 108 CG LEU A 7 -2.671 -1.131 -7.191 1.00 31.14 C ATOM 109 CD1 LEU A 7 -3.419 -1.275 -5.866 1.00 22.33 C ATOM 110 CD2 LEU A 7 -1.567 -0.081 -7.075 1.00 30.22 C ATOM 0 H LEU A 7 -2.728 -4.213 -5.908 1.00 73.41 H new ATOM 0 HA LEU A 7 -4.013 -3.201 -8.315 1.00 52.22 H new ATOM 0 HB2 LEU A 7 -1.351 -2.811 -6.932 1.00 54.55 H new ATOM 0 HB3 LEU A 7 -1.546 -2.309 -8.599 1.00 54.55 H new ATOM 0 HG LEU A 7 -3.393 -0.802 -7.939 1.00 31.14 H new ATOM 0 HD11 LEU A 7 -3.817 -0.306 -5.566 1.00 22.33 H new ATOM 0 HD12 LEU A 7 -4.239 -1.983 -5.986 1.00 22.33 H new ATOM 0 HD13 LEU A 7 -2.735 -1.640 -5.100 1.00 22.33 H new ATOM 0 HD21 LEU A 7 -1.996 0.863 -6.739 1.00 30.22 H new ATOM 0 HD22 LEU A 7 -0.820 -0.416 -6.355 1.00 30.22 H new ATOM 0 HD23 LEU A 7 -1.096 0.060 -8.048 1.00 30.22 H new ATOM 122 N LYS A 8 -1.835 -5.664 -8.397 1.00 44.31 N ATOM 123 CA LYS A 8 -1.210 -6.654 -9.284 1.00 30.45 C ATOM 124 C LYS A 8 -2.199 -7.749 -9.727 1.00 63.14 C ATOM 125 O LYS A 8 -1.902 -8.526 -10.634 1.00 32.12 O ATOM 126 CB LYS A 8 -0.004 -7.316 -8.603 1.00 31.05 C ATOM 127 CG LYS A 8 0.925 -8.033 -9.586 1.00 22.21 C ATOM 128 CD LYS A 8 1.575 -9.275 -8.985 1.00 12.14 C ATOM 129 CE LYS A 8 0.553 -10.367 -8.703 1.00 74.40 C ATOM 130 NZ LYS A 8 -0.279 -10.678 -9.900 1.00 21.42 N ATOM 0 H LYS A 8 -1.690 -5.832 -7.401 1.00 44.31 H new ATOM 0 HA LYS A 8 -0.882 -6.109 -10.169 1.00 30.45 H new ATOM 0 HB2 LYS A 8 0.563 -6.557 -8.065 1.00 31.05 H new ATOM 0 HB3 LYS A 8 -0.361 -8.032 -7.862 1.00 31.05 H new ATOM 0 HG2 LYS A 8 0.358 -8.318 -10.473 1.00 22.21 H new ATOM 0 HG3 LYS A 8 1.703 -7.343 -9.913 1.00 22.21 H new ATOM 0 HD2 LYS A 8 2.334 -9.655 -9.669 1.00 12.14 H new ATOM 0 HD3 LYS A 8 2.085 -9.007 -8.060 1.00 12.14 H new ATOM 0 HE2 LYS A 8 1.069 -11.270 -8.376 1.00 74.40 H new ATOM 0 HE3 LYS A 8 -0.094 -10.055 -7.883 1.00 74.40 H new ATOM 0 HZ1 LYS A 8 -0.750 -11.596 -9.767 1.00 21.42 H new ATOM 0 HZ2 LYS A 8 -0.997 -9.936 -10.026 1.00 21.42 H new ATOM 0 HZ3 LYS A 8 0.328 -10.720 -10.743 1.00 21.42 H new ATOM 144 N ASN A 9 -3.356 -7.835 -9.076 1.00 3.32 N ATOM 145 CA ASN A 9 -4.348 -8.858 -9.431 1.00 63.30 C ATOM 146 C ASN A 9 -4.977 -8.549 -10.800 1.00 60.10 C ATOM 147 O ASN A 9 -5.351 -7.404 -11.077 1.00 61.24 O ATOM 148 CB ASN A 9 -5.428 -8.969 -8.344 1.00 1.33 C ATOM 149 CG ASN A 9 -6.187 -10.289 -8.409 1.00 75.52 C ATOM 150 OD1 ASN A 9 -6.371 -10.870 -9.473 1.00 22.15 O ATOM 151 ND2 ASN A 9 -6.619 -10.784 -7.265 1.00 22.31 N ATOM 0 H ASN A 9 -3.632 -7.221 -8.310 1.00 3.32 H new ATOM 0 HA ASN A 9 -3.839 -9.820 -9.500 1.00 63.30 H new ATOM 0 HB2 ASN A 9 -4.963 -8.868 -7.363 1.00 1.33 H new ATOM 0 HB3 ASN A 9 -6.132 -8.143 -8.450 1.00 1.33 H new ATOM 0 HD21 ASN A 9 -7.120 -11.672 -7.251 1.00 22.31 H new ATOM 0 HD22 ASN A 9 -6.451 -10.279 -6.395 1.00 22.31 H new ATOM 158 N TYR A 10 -5.089 -9.575 -11.649 1.00 72.13 N ATOM 159 CA TYR A 10 -5.570 -9.411 -13.025 1.00 70.34 C ATOM 160 C TYR A 10 -4.576 -8.567 -13.845 1.00 34.41 C ATOM 161 O TYR A 10 -4.764 -7.368 -14.037 1.00 52.42 O ATOM 162 CB TYR A 10 -6.982 -8.786 -13.031 1.00 63.10 C ATOM 163 CG TYR A 10 -7.566 -8.532 -14.411 1.00 63.10 C ATOM 164 CD1 TYR A 10 -8.011 -9.581 -15.209 1.00 72.35 C ATOM 165 CD2 TYR A 10 -7.686 -7.236 -14.905 1.00 64.03 C ATOM 166 CE1 TYR A 10 -8.556 -9.343 -16.457 1.00 34.52 C ATOM 167 CE2 TYR A 10 -8.227 -6.993 -16.150 1.00 11.52 C ATOM 168 CZ TYR A 10 -8.661 -8.049 -16.922 1.00 31.14 C ATOM 169 OH TYR A 10 -9.211 -7.811 -18.163 1.00 43.52 O ATOM 0 H TYR A 10 -4.851 -10.536 -11.405 1.00 72.13 H new ATOM 0 HA TYR A 10 -5.639 -10.393 -13.494 1.00 70.34 H new ATOM 0 HB2 TYR A 10 -7.656 -9.444 -12.483 1.00 63.10 H new ATOM 0 HB3 TYR A 10 -6.947 -7.841 -12.488 1.00 63.10 H new ATOM 0 HD1 TYR A 10 -7.930 -10.596 -14.848 1.00 72.35 H new ATOM 0 HD2 TYR A 10 -7.349 -6.406 -14.302 1.00 64.03 H new ATOM 0 HE1 TYR A 10 -8.898 -10.167 -17.065 1.00 34.52 H new ATOM 0 HE2 TYR A 10 -8.310 -5.981 -16.518 1.00 11.52 H new ATOM 0 HH TYR A 10 -9.213 -6.847 -18.341 1.00 43.52 H new ATOM 179 N GLN A 11 -3.496 -9.202 -14.310 1.00 72.03 N ATOM 180 CA GLN A 11 -2.428 -8.490 -15.031 1.00 24.54 C ATOM 181 C GLN A 11 -2.658 -8.463 -16.550 1.00 44.42 C ATOM 182 O GLN A 11 -1.769 -8.082 -17.316 1.00 24.30 O ATOM 183 CB GLN A 11 -1.058 -9.100 -14.690 1.00 21.52 C ATOM 184 CG GLN A 11 -0.643 -8.836 -13.248 1.00 1.11 C ATOM 185 CD GLN A 11 0.700 -9.437 -12.867 1.00 32.00 C ATOM 186 OE1 GLN A 11 0.775 -10.574 -12.415 1.00 2.23 O ATOM 187 NE2 GLN A 11 1.769 -8.675 -13.018 1.00 70.34 N ATOM 0 H GLN A 11 -3.335 -10.203 -14.202 1.00 72.03 H new ATOM 0 HA GLN A 11 -2.447 -7.452 -14.698 1.00 24.54 H new ATOM 0 HB2 GLN A 11 -1.090 -10.176 -14.864 1.00 21.52 H new ATOM 0 HB3 GLN A 11 -0.304 -8.690 -15.362 1.00 21.52 H new ATOM 0 HG2 GLN A 11 -0.606 -7.759 -13.083 1.00 1.11 H new ATOM 0 HG3 GLN A 11 -1.409 -9.234 -12.582 1.00 1.11 H new ATOM 0 HE21 GLN A 11 1.674 -7.733 -13.397 1.00 70.34 H new ATOM 0 HE22 GLN A 11 2.689 -9.029 -12.756 1.00 70.34 H new ATOM 196 N HIS A 12 -3.855 -8.859 -16.983 1.00 4.12 N ATOM 197 CA HIS A 12 -4.250 -8.695 -18.383 1.00 21.55 C ATOM 198 C HIS A 12 -4.623 -7.227 -18.651 1.00 5.12 C ATOM 199 O HIS A 12 -5.693 -6.770 -18.250 1.00 2.32 O ATOM 200 CB HIS A 12 -5.423 -9.625 -18.734 1.00 15.22 C ATOM 201 CG HIS A 12 -5.069 -11.085 -18.693 1.00 63.50 C ATOM 202 ND1 HIS A 12 -5.790 -12.020 -17.983 1.00 62.21 N ATOM 203 CD2 HIS A 12 -4.074 -11.775 -19.303 1.00 61.41 C ATOM 204 CE1 HIS A 12 -5.255 -13.212 -18.153 1.00 65.53 C ATOM 205 NE2 HIS A 12 -4.214 -13.093 -18.949 1.00 65.30 N ATOM 0 H HIS A 12 -4.563 -9.292 -16.390 1.00 4.12 H new ATOM 0 HA HIS A 12 -3.407 -8.967 -19.018 1.00 21.55 H new ATOM 0 HB2 HIS A 12 -6.243 -9.439 -18.040 1.00 15.22 H new ATOM 0 HB3 HIS A 12 -5.787 -9.376 -19.731 1.00 15.22 H new ATOM 0 HD2 HIS A 12 -3.312 -11.363 -19.948 1.00 61.41 H new ATOM 0 HE1 HIS A 12 -5.611 -14.132 -17.713 1.00 65.53 H new ATOM 0 HE2 HIS A 12 -3.610 -13.856 -19.253 1.00 65.30 H new ATOM 214 N LEU A 13 -3.720 -6.502 -19.320 1.00 72.12 N ATOM 215 CA LEU A 13 -3.858 -5.049 -19.539 1.00 42.34 C ATOM 216 C LEU A 13 -3.721 -4.267 -18.215 1.00 44.11 C ATOM 217 O LEU A 13 -4.709 -3.988 -17.532 1.00 72.10 O ATOM 218 CB LEU A 13 -5.187 -4.693 -20.247 1.00 75.12 C ATOM 219 CG LEU A 13 -5.284 -5.063 -21.742 1.00 24.44 C ATOM 220 CD1 LEU A 13 -4.151 -4.421 -22.537 1.00 30.31 C ATOM 221 CD2 LEU A 13 -5.295 -6.576 -21.943 1.00 61.41 C ATOM 0 H LEU A 13 -2.873 -6.900 -19.726 1.00 72.12 H new ATOM 0 HA LEU A 13 -3.044 -4.751 -20.199 1.00 42.34 H new ATOM 0 HB2 LEU A 13 -6.000 -5.189 -19.718 1.00 75.12 H new ATOM 0 HB3 LEU A 13 -5.351 -3.620 -20.149 1.00 75.12 H new ATOM 0 HG LEU A 13 -6.230 -4.671 -22.116 1.00 24.44 H new ATOM 0 HD11 LEU A 13 -4.242 -4.697 -23.588 1.00 30.31 H new ATOM 0 HD12 LEU A 13 -4.208 -3.337 -22.440 1.00 30.31 H new ATOM 0 HD13 LEU A 13 -3.193 -4.770 -22.152 1.00 30.31 H new ATOM 0 HD21 LEU A 13 -5.364 -6.801 -23.007 1.00 61.41 H new ATOM 0 HD22 LEU A 13 -4.376 -7.003 -21.541 1.00 61.41 H new ATOM 0 HD23 LEU A 13 -6.152 -7.006 -21.425 1.00 61.41 H new ATOM 233 N ARG A 14 -2.476 -3.937 -17.857 1.00 10.40 N ATOM 234 CA ARG A 14 -2.166 -3.214 -16.609 1.00 62.44 C ATOM 235 C ARG A 14 -1.036 -2.184 -16.816 1.00 73.25 C ATOM 236 O ARG A 14 -0.674 -1.858 -17.948 1.00 72.25 O ATOM 237 CB ARG A 14 -1.760 -4.211 -15.505 1.00 53.04 C ATOM 238 CG ARG A 14 -2.926 -4.954 -14.854 1.00 33.32 C ATOM 239 CD ARG A 14 -3.873 -4.008 -14.117 1.00 33.02 C ATOM 240 NE ARG A 14 -4.724 -4.717 -13.164 1.00 12.53 N ATOM 241 CZ ARG A 14 -5.470 -4.133 -12.266 1.00 41.23 C ATOM 242 NH1 ARG A 14 -5.561 -2.843 -12.217 1.00 72.44 N ATOM 243 NH2 ARG A 14 -6.138 -4.849 -11.421 1.00 10.42 N ATOM 0 H ARG A 14 -1.654 -4.160 -18.418 1.00 10.40 H new ATOM 0 HA ARG A 14 -3.065 -2.677 -16.307 1.00 62.44 H new ATOM 0 HB2 ARG A 14 -1.073 -4.943 -15.930 1.00 53.04 H new ATOM 0 HB3 ARG A 14 -1.213 -3.672 -14.731 1.00 53.04 H new ATOM 0 HG2 ARG A 14 -3.481 -5.498 -15.619 1.00 33.32 H new ATOM 0 HG3 ARG A 14 -2.538 -5.695 -14.155 1.00 33.32 H new ATOM 0 HD2 ARG A 14 -3.292 -3.251 -13.590 1.00 33.02 H new ATOM 0 HD3 ARG A 14 -4.498 -3.484 -14.841 1.00 33.02 H new ATOM 0 HE ARG A 14 -4.736 -5.736 -13.203 1.00 12.53 H new ATOM 0 HH11 ARG A 14 -5.046 -2.270 -12.885 1.00 72.44 H new ATOM 0 HH12 ARG A 14 -6.148 -2.400 -11.510 1.00 72.44 H new ATOM 0 HH21 ARG A 14 -6.081 -5.867 -11.458 1.00 10.42 H new ATOM 0 HH22 ARG A 14 -6.722 -4.396 -10.718 1.00 10.42 H new ATOM 257 N ASP A 15 -0.495 -1.667 -15.713 1.00 12.34 N ATOM 258 CA ASP A 15 0.612 -0.701 -15.749 1.00 63.22 C ATOM 259 C ASP A 15 1.893 -1.281 -15.111 1.00 52.21 C ATOM 260 O ASP A 15 1.845 -2.296 -14.416 1.00 54.13 O ATOM 261 CB ASP A 15 0.196 0.581 -15.016 1.00 31.22 C ATOM 262 CG ASP A 15 -0.874 1.352 -15.762 1.00 23.44 C ATOM 263 OD1 ASP A 15 -2.070 1.060 -15.567 1.00 63.14 O ATOM 264 OD2 ASP A 15 -0.520 2.253 -16.550 1.00 21.33 O ATOM 0 H ASP A 15 -0.808 -1.902 -14.771 1.00 12.34 H new ATOM 0 HA ASP A 15 0.834 -0.476 -16.792 1.00 63.22 H new ATOM 0 HB2 ASP A 15 -0.171 0.325 -14.022 1.00 31.22 H new ATOM 0 HB3 ASP A 15 1.070 1.218 -14.879 1.00 31.22 H new ATOM 269 N PRO A 16 3.067 -0.643 -15.340 1.00 41.51 N ATOM 270 CA PRO A 16 4.339 -1.069 -14.718 1.00 73.32 C ATOM 271 C PRO A 16 4.382 -0.824 -13.196 1.00 1.21 C ATOM 272 O PRO A 16 5.239 -1.365 -12.498 1.00 55.23 O ATOM 273 CB PRO A 16 5.390 -0.204 -15.434 1.00 74.34 C ATOM 274 CG PRO A 16 4.638 1.005 -15.878 1.00 53.01 C ATOM 275 CD PRO A 16 3.259 0.520 -16.235 1.00 35.22 C ATOM 0 HA PRO A 16 4.497 -2.142 -14.825 1.00 73.32 H new ATOM 0 HB2 PRO A 16 6.209 0.061 -14.765 1.00 74.34 H new ATOM 0 HB3 PRO A 16 5.829 -0.732 -16.281 1.00 74.34 H new ATOM 0 HG2 PRO A 16 4.597 1.753 -15.086 1.00 53.01 H new ATOM 0 HG3 PRO A 16 5.122 1.474 -16.735 1.00 53.01 H new ATOM 0 HD2 PRO A 16 2.505 1.288 -16.064 1.00 35.22 H new ATOM 0 HD3 PRO A 16 3.192 0.235 -17.285 1.00 35.22 H new ATOM 283 N SER A 17 3.450 -0.014 -12.691 1.00 41.24 N ATOM 284 CA SER A 17 3.386 0.317 -11.255 1.00 35.42 C ATOM 285 C SER A 17 3.228 -0.949 -10.404 1.00 60.43 C ATOM 286 O SER A 17 3.988 -1.191 -9.464 1.00 34.42 O ATOM 287 CB SER A 17 2.206 1.262 -10.978 1.00 34.01 C ATOM 288 OG SER A 17 2.227 2.387 -11.841 1.00 73.25 O ATOM 0 H SER A 17 2.723 0.430 -13.253 1.00 41.24 H new ATOM 0 HA SER A 17 4.321 0.809 -10.986 1.00 35.42 H new ATOM 0 HB2 SER A 17 1.268 0.722 -11.106 1.00 34.01 H new ATOM 0 HB3 SER A 17 2.242 1.597 -9.941 1.00 34.01 H new ATOM 0 HG SER A 17 1.463 2.967 -11.641 1.00 73.25 H new ATOM 294 N GLU A 18 2.239 -1.755 -10.755 1.00 43.00 N ATOM 295 CA GLU A 18 1.969 -3.019 -10.065 1.00 71.42 C ATOM 296 C GLU A 18 3.115 -4.029 -10.272 1.00 23.01 C ATOM 297 O GLU A 18 3.433 -4.815 -9.377 1.00 40.35 O ATOM 298 CB GLU A 18 0.616 -3.609 -10.522 1.00 65.33 C ATOM 299 CG GLU A 18 0.287 -3.396 -12.006 1.00 20.11 C ATOM 300 CD GLU A 18 -0.505 -2.111 -12.283 1.00 3.34 C ATOM 301 OE1 GLU A 18 -0.110 -1.028 -11.798 1.00 33.13 O ATOM 302 OE2 GLU A 18 -1.532 -2.176 -12.981 1.00 62.40 O ATOM 0 H GLU A 18 1.598 -1.558 -11.524 1.00 43.00 H new ATOM 0 HA GLU A 18 1.907 -2.812 -8.997 1.00 71.42 H new ATOM 0 HB2 GLU A 18 0.614 -4.679 -10.314 1.00 65.33 H new ATOM 0 HB3 GLU A 18 -0.178 -3.166 -9.921 1.00 65.33 H new ATOM 0 HG2 GLU A 18 1.216 -3.370 -12.575 1.00 20.11 H new ATOM 0 HG3 GLU A 18 -0.285 -4.250 -12.369 1.00 20.11 H new ATOM 309 N TYR A 19 3.743 -3.989 -11.449 1.00 64.34 N ATOM 310 CA TYR A 19 4.951 -4.794 -11.722 1.00 1.15 C ATOM 311 C TYR A 19 6.066 -4.454 -10.714 1.00 63.10 C ATOM 312 O TYR A 19 6.675 -5.345 -10.095 1.00 33.24 O ATOM 313 CB TYR A 19 5.468 -4.536 -13.151 1.00 44.14 C ATOM 314 CG TYR A 19 4.493 -4.874 -14.275 1.00 23.45 C ATOM 315 CD1 TYR A 19 3.212 -5.362 -14.018 1.00 24.20 C ATOM 316 CD2 TYR A 19 4.868 -4.704 -15.607 1.00 53.11 C ATOM 317 CE1 TYR A 19 2.341 -5.666 -15.051 1.00 5.44 C ATOM 318 CE2 TYR A 19 4.002 -5.009 -16.640 1.00 4.21 C ATOM 319 CZ TYR A 19 2.743 -5.488 -16.358 1.00 32.25 C ATOM 320 OH TYR A 19 1.883 -5.796 -17.392 1.00 63.30 O ATOM 0 H TYR A 19 3.441 -3.410 -12.233 1.00 64.34 H new ATOM 0 HA TYR A 19 4.679 -5.845 -11.623 1.00 1.15 H new ATOM 0 HB2 TYR A 19 5.741 -3.484 -13.235 1.00 44.14 H new ATOM 0 HB3 TYR A 19 6.380 -5.115 -13.299 1.00 44.14 H new ATOM 0 HD1 TYR A 19 2.894 -5.505 -12.996 1.00 24.20 H new ATOM 0 HD2 TYR A 19 5.854 -4.327 -15.836 1.00 53.11 H new ATOM 0 HE1 TYR A 19 1.352 -6.041 -14.834 1.00 5.44 H new ATOM 0 HE2 TYR A 19 4.312 -4.872 -17.665 1.00 4.21 H new ATOM 0 HH TYR A 19 2.172 -6.628 -17.821 1.00 63.30 H new ATOM 330 N MET A 20 6.319 -3.149 -10.564 1.00 64.22 N ATOM 331 CA MET A 20 7.275 -2.630 -9.578 1.00 54.23 C ATOM 332 C MET A 20 6.864 -3.028 -8.155 1.00 22.43 C ATOM 333 O MET A 20 7.703 -3.164 -7.265 1.00 34.32 O ATOM 334 CB MET A 20 7.350 -1.098 -9.672 1.00 75.11 C ATOM 335 CG MET A 20 7.895 -0.575 -10.993 1.00 34.13 C ATOM 336 SD MET A 20 9.649 -0.932 -11.200 1.00 43.22 S ATOM 337 CE MET A 20 9.960 -0.194 -12.804 1.00 5.31 C ATOM 0 H MET A 20 5.868 -2.424 -11.121 1.00 64.22 H new ATOM 0 HA MET A 20 8.252 -3.061 -9.797 1.00 54.23 H new ATOM 0 HB2 MET A 20 6.352 -0.687 -9.517 1.00 75.11 H new ATOM 0 HB3 MET A 20 7.977 -0.727 -8.862 1.00 75.11 H new ATOM 0 HG2 MET A 20 7.336 -1.021 -11.816 1.00 34.13 H new ATOM 0 HG3 MET A 20 7.737 0.502 -11.047 1.00 34.13 H new ATOM 0 HE1 MET A 20 11.007 -0.333 -13.072 1.00 5.31 H new ATOM 0 HE2 MET A 20 9.327 -0.671 -13.553 1.00 5.31 H new ATOM 0 HE3 MET A 20 9.735 0.872 -12.764 1.00 5.31 H new ATOM 347 N SER A 21 5.559 -3.185 -7.952 1.00 33.43 N ATOM 348 CA SER A 21 5.008 -3.589 -6.652 1.00 41.11 C ATOM 349 C SER A 21 4.984 -5.117 -6.505 1.00 34.13 C ATOM 350 O SER A 21 4.685 -5.640 -5.433 1.00 50.44 O ATOM 351 CB SER A 21 3.585 -3.035 -6.487 1.00 1.23 C ATOM 352 OG SER A 21 3.559 -1.623 -6.645 1.00 33.53 O ATOM 0 H SER A 21 4.854 -3.038 -8.675 1.00 33.43 H new ATOM 0 HA SER A 21 5.654 -3.180 -5.875 1.00 41.11 H new ATOM 0 HB2 SER A 21 2.925 -3.497 -7.221 1.00 1.23 H new ATOM 0 HB3 SER A 21 3.201 -3.300 -5.502 1.00 1.23 H new ATOM 0 HG SER A 21 3.701 -1.397 -7.588 1.00 33.53 H new ATOM 358 N GLN A 22 5.265 -5.819 -7.604 1.00 11.34 N ATOM 359 CA GLN A 22 5.317 -7.285 -7.607 1.00 32.22 C ATOM 360 C GLN A 22 6.683 -7.818 -7.133 1.00 52.43 C ATOM 361 O GLN A 22 6.794 -8.365 -6.038 1.00 64.22 O ATOM 362 CB GLN A 22 5.005 -7.821 -9.014 1.00 42.34 C ATOM 363 CG GLN A 22 5.084 -9.342 -9.135 1.00 4.22 C ATOM 364 CD GLN A 22 4.809 -9.836 -10.544 1.00 54.32 C ATOM 365 OE1 GLN A 22 4.047 -9.233 -11.290 1.00 13.52 O ATOM 366 NE2 GLN A 22 5.424 -10.940 -10.915 1.00 62.42 N ATOM 0 H GLN A 22 5.462 -5.394 -8.510 1.00 11.34 H new ATOM 0 HA GLN A 22 4.564 -7.639 -6.903 1.00 32.22 H new ATOM 0 HB2 GLN A 22 4.005 -7.496 -9.301 1.00 42.34 H new ATOM 0 HB3 GLN A 22 5.701 -7.374 -9.724 1.00 42.34 H new ATOM 0 HG2 GLN A 22 6.074 -9.675 -8.825 1.00 4.22 H new ATOM 0 HG3 GLN A 22 4.367 -9.794 -8.450 1.00 4.22 H new ATOM 0 HE21 GLN A 22 6.052 -11.416 -10.267 1.00 62.42 H new ATOM 0 HE22 GLN A 22 5.272 -11.319 -11.850 1.00 62.42 H new ATOM 375 N VAL A 23 7.725 -7.668 -7.960 1.00 43.15 N ATOM 376 CA VAL A 23 9.051 -8.227 -7.622 1.00 22.10 C ATOM 377 C VAL A 23 10.122 -7.129 -7.466 1.00 0.53 C ATOM 378 O VAL A 23 10.194 -6.196 -8.263 1.00 20.35 O ATOM 379 CB VAL A 23 9.525 -9.258 -8.685 1.00 71.21 C ATOM 380 CG1 VAL A 23 10.864 -9.879 -8.289 1.00 74.24 C ATOM 381 CG2 VAL A 23 8.478 -10.350 -8.891 1.00 30.11 C ATOM 0 H VAL A 23 7.684 -7.175 -8.852 1.00 43.15 H new ATOM 0 HA VAL A 23 8.930 -8.732 -6.664 1.00 22.10 H new ATOM 0 HB VAL A 23 9.658 -8.724 -9.626 1.00 71.21 H new ATOM 0 HG11 VAL A 23 11.172 -10.596 -9.050 1.00 74.24 H new ATOM 0 HG12 VAL A 23 11.617 -9.096 -8.203 1.00 74.24 H new ATOM 0 HG13 VAL A 23 10.760 -10.389 -7.331 1.00 74.24 H new ATOM 0 HG21 VAL A 23 8.834 -11.058 -9.639 1.00 30.11 H new ATOM 0 HG22 VAL A 23 8.307 -10.872 -7.950 1.00 30.11 H new ATOM 0 HG23 VAL A 23 7.545 -9.900 -9.232 1.00 30.11 H new ATOM 391 N TYR A 24 10.962 -7.267 -6.435 1.00 54.14 N ATOM 392 CA TYR A 24 12.034 -6.297 -6.146 1.00 43.32 C ATOM 393 C TYR A 24 13.342 -6.629 -6.900 1.00 62.55 C ATOM 394 O TYR A 24 14.334 -5.905 -6.792 1.00 3.04 O ATOM 395 CB TYR A 24 12.284 -6.248 -4.623 1.00 10.31 C ATOM 396 CG TYR A 24 13.484 -5.411 -4.205 1.00 11.13 C ATOM 397 CD1 TYR A 24 13.427 -4.019 -4.203 1.00 33.31 C ATOM 398 CD2 TYR A 24 14.682 -6.016 -3.831 1.00 1.24 C ATOM 399 CE1 TYR A 24 14.526 -3.262 -3.840 1.00 31.03 C ATOM 400 CE2 TYR A 24 15.783 -5.264 -3.472 1.00 62.32 C ATOM 401 CZ TYR A 24 15.700 -3.890 -3.478 1.00 33.51 C ATOM 402 OH TYR A 24 16.799 -3.140 -3.121 1.00 45.53 O ATOM 0 H TYR A 24 10.922 -8.047 -5.779 1.00 54.14 H new ATOM 0 HA TYR A 24 11.707 -5.319 -6.498 1.00 43.32 H new ATOM 0 HB2 TYR A 24 11.394 -5.852 -4.134 1.00 10.31 H new ATOM 0 HB3 TYR A 24 12.422 -7.266 -4.258 1.00 10.31 H new ATOM 0 HD1 TYR A 24 12.511 -3.524 -4.489 1.00 33.31 H new ATOM 0 HD2 TYR A 24 14.751 -7.094 -3.822 1.00 1.24 H new ATOM 0 HE1 TYR A 24 14.466 -2.184 -3.840 1.00 31.03 H new ATOM 0 HE2 TYR A 24 16.704 -5.751 -3.188 1.00 62.32 H new ATOM 0 HH TYR A 24 17.542 -3.737 -2.893 1.00 45.53 H new ATOM 412 N GLY A 25 13.341 -7.713 -7.674 1.00 21.12 N ATOM 413 CA GLY A 25 14.536 -8.112 -8.422 1.00 52.35 C ATOM 414 C GLY A 25 15.008 -7.065 -9.439 1.00 61.14 C ATOM 415 O GLY A 25 14.539 -5.925 -9.440 1.00 23.21 O ATOM 0 H GLY A 25 12.536 -8.326 -7.800 1.00 21.12 H new ATOM 0 HA2 GLY A 25 15.344 -8.311 -7.718 1.00 52.35 H new ATOM 0 HA3 GLY A 25 14.331 -9.046 -8.945 1.00 52.35 H new ATOM 419 N ASP A 26 15.945 -7.449 -10.307 1.00 11.42 N ATOM 420 CA ASP A 26 16.478 -6.532 -11.325 1.00 60.42 C ATOM 421 C ASP A 26 15.348 -5.970 -12.210 1.00 5.33 C ATOM 422 O ASP A 26 14.426 -6.701 -12.573 1.00 3.11 O ATOM 423 CB ASP A 26 17.518 -7.252 -12.196 1.00 52.23 C ATOM 424 CG ASP A 26 18.179 -6.314 -13.194 1.00 3.34 C ATOM 425 OD1 ASP A 26 19.173 -5.656 -12.825 1.00 12.20 O ATOM 426 OD2 ASP A 26 17.691 -6.207 -14.337 1.00 11.22 O ATOM 0 H ASP A 26 16.352 -8.384 -10.329 1.00 11.42 H new ATOM 0 HA ASP A 26 16.957 -5.699 -10.811 1.00 60.42 H new ATOM 0 HB2 ASP A 26 18.281 -7.695 -11.556 1.00 52.23 H new ATOM 0 HB3 ASP A 26 17.037 -8.070 -12.732 1.00 52.23 H new ATOM 431 N PRO A 27 15.394 -4.659 -12.550 1.00 60.53 N ATOM 432 CA PRO A 27 14.396 -4.015 -13.415 1.00 42.24 C ATOM 433 C PRO A 27 13.956 -4.894 -14.599 1.00 74.33 C ATOM 434 O PRO A 27 12.762 -5.110 -14.813 1.00 72.21 O ATOM 435 CB PRO A 27 15.116 -2.743 -13.918 1.00 64.41 C ATOM 436 CG PRO A 27 16.477 -2.751 -13.280 1.00 25.14 C ATOM 437 CD PRO A 27 16.397 -3.688 -12.106 1.00 34.12 C ATOM 0 HA PRO A 27 13.473 -3.814 -12.871 1.00 42.24 H new ATOM 0 HB2 PRO A 27 15.196 -2.745 -15.005 1.00 64.41 H new ATOM 0 HB3 PRO A 27 14.561 -1.846 -13.641 1.00 64.41 H new ATOM 0 HG2 PRO A 27 17.235 -3.083 -13.989 1.00 25.14 H new ATOM 0 HG3 PRO A 27 16.759 -1.749 -12.957 1.00 25.14 H new ATOM 0 HD2 PRO A 27 17.357 -4.161 -11.897 1.00 34.12 H new ATOM 0 HD3 PRO A 27 16.090 -3.174 -11.195 1.00 34.12 H new ATOM 445 N LEU A 28 14.927 -5.423 -15.343 1.00 35.21 N ATOM 446 CA LEU A 28 14.639 -6.236 -16.532 1.00 24.50 C ATOM 447 C LEU A 28 13.879 -7.525 -16.174 1.00 60.02 C ATOM 448 O LEU A 28 13.078 -8.019 -16.969 1.00 1.54 O ATOM 449 CB LEU A 28 15.938 -6.583 -17.285 1.00 61.23 C ATOM 450 CG LEU A 28 16.588 -5.425 -18.069 1.00 31.33 C ATOM 451 CD1 LEU A 28 15.623 -4.876 -19.118 1.00 23.34 C ATOM 452 CD2 LEU A 28 17.059 -4.313 -17.130 1.00 0.02 C ATOM 0 H LEU A 28 15.921 -5.305 -15.146 1.00 35.21 H new ATOM 0 HA LEU A 28 13.999 -5.638 -17.181 1.00 24.50 H new ATOM 0 HB2 LEU A 28 16.663 -6.962 -16.565 1.00 61.23 H new ATOM 0 HB3 LEU A 28 15.727 -7.395 -17.981 1.00 61.23 H new ATOM 0 HG LEU A 28 17.465 -5.820 -18.581 1.00 31.33 H new ATOM 0 HD11 LEU A 28 16.101 -4.060 -19.660 1.00 23.34 H new ATOM 0 HD12 LEU A 28 15.356 -5.669 -19.817 1.00 23.34 H new ATOM 0 HD13 LEU A 28 14.723 -4.507 -18.627 1.00 23.34 H new ATOM 0 HD21 LEU A 28 17.512 -3.512 -17.714 1.00 0.02 H new ATOM 0 HD22 LEU A 28 16.207 -3.920 -16.575 1.00 0.02 H new ATOM 0 HD23 LEU A 28 17.794 -4.714 -16.431 1.00 0.02 H new ATOM 464 N ALA A 29 14.127 -8.048 -14.973 1.00 21.32 N ATOM 465 CA ALA A 29 13.488 -9.286 -14.508 1.00 4.54 C ATOM 466 C ALA A 29 11.954 -9.183 -14.520 1.00 21.52 C ATOM 467 O ALA A 29 11.290 -9.742 -15.394 1.00 31.32 O ATOM 468 CB ALA A 29 13.982 -9.640 -13.105 1.00 0.43 C ATOM 0 H ALA A 29 14.770 -7.633 -14.298 1.00 21.32 H new ATOM 0 HA ALA A 29 13.768 -10.079 -15.201 1.00 4.54 H new ATOM 0 HB1 ALA A 29 13.501 -10.560 -12.771 1.00 0.43 H new ATOM 0 HB2 ALA A 29 15.063 -9.782 -13.125 1.00 0.43 H new ATOM 0 HB3 ALA A 29 13.735 -8.831 -12.417 1.00 0.43 H new ATOM 474 N TYR A 30 11.398 -8.441 -13.562 1.00 1.13 N ATOM 475 CA TYR A 30 9.939 -8.326 -13.422 1.00 23.23 C ATOM 476 C TYR A 30 9.300 -7.546 -14.583 1.00 12.44 C ATOM 477 O TYR A 30 8.133 -7.771 -14.923 1.00 43.10 O ATOM 478 CB TYR A 30 9.573 -7.677 -12.077 1.00 35.54 C ATOM 479 CG TYR A 30 10.220 -6.325 -11.837 1.00 5.45 C ATOM 480 CD1 TYR A 30 9.623 -5.155 -12.288 1.00 22.53 C ATOM 481 CD2 TYR A 30 11.429 -6.222 -11.157 1.00 41.10 C ATOM 482 CE1 TYR A 30 10.210 -3.926 -12.072 1.00 72.25 C ATOM 483 CE2 TYR A 30 12.020 -4.995 -10.937 1.00 11.14 C ATOM 484 CZ TYR A 30 11.409 -3.852 -11.395 1.00 12.51 C ATOM 485 OH TYR A 30 12.001 -2.627 -11.181 1.00 44.23 O ATOM 0 H TYR A 30 11.930 -7.911 -12.872 1.00 1.13 H new ATOM 0 HA TYR A 30 9.536 -9.338 -13.451 1.00 23.23 H new ATOM 0 HB2 TYR A 30 8.490 -7.562 -12.025 1.00 35.54 H new ATOM 0 HB3 TYR A 30 9.861 -8.352 -11.271 1.00 35.54 H new ATOM 0 HD1 TYR A 30 8.683 -5.209 -12.817 1.00 22.53 H new ATOM 0 HD2 TYR A 30 11.913 -7.117 -10.795 1.00 41.10 H new ATOM 0 HE1 TYR A 30 9.733 -3.026 -12.431 1.00 72.25 H new ATOM 0 HE2 TYR A 30 12.959 -4.933 -10.407 1.00 11.14 H new ATOM 0 HH TYR A 30 11.436 -1.920 -11.558 1.00 44.23 H new ATOM 495 N LEU A 31 10.062 -6.629 -15.187 1.00 34.41 N ATOM 496 CA LEU A 31 9.576 -5.868 -16.342 1.00 1.34 C ATOM 497 C LEU A 31 9.279 -6.820 -17.509 1.00 10.21 C ATOM 498 O LEU A 31 8.122 -7.006 -17.887 1.00 75.32 O ATOM 499 CB LEU A 31 10.610 -4.795 -16.745 1.00 11.44 C ATOM 500 CG LEU A 31 10.124 -3.691 -17.712 1.00 22.51 C ATOM 501 CD1 LEU A 31 11.091 -2.510 -17.695 1.00 1.14 C ATOM 502 CD2 LEU A 31 9.963 -4.218 -19.141 1.00 64.34 C ATOM 0 H LEU A 31 11.012 -6.397 -14.898 1.00 34.41 H new ATOM 0 HA LEU A 31 8.650 -5.359 -16.074 1.00 1.34 H new ATOM 0 HB2 LEU A 31 10.974 -4.315 -15.837 1.00 11.44 H new ATOM 0 HB3 LEU A 31 11.461 -5.298 -17.203 1.00 11.44 H new ATOM 0 HG LEU A 31 9.144 -3.360 -17.367 1.00 22.51 H new ATOM 0 HD11 LEU A 31 10.737 -1.740 -18.380 1.00 1.14 H new ATOM 0 HD12 LEU A 31 11.147 -2.100 -16.686 1.00 1.14 H new ATOM 0 HD13 LEU A 31 12.080 -2.845 -18.006 1.00 1.14 H new ATOM 0 HD21 LEU A 31 9.620 -3.412 -19.790 1.00 64.34 H new ATOM 0 HD22 LEU A 31 10.922 -4.591 -19.501 1.00 64.34 H new ATOM 0 HD23 LEU A 31 9.232 -5.027 -19.150 1.00 64.34 H new ATOM 514 N GLN A 32 10.323 -7.445 -18.057 1.00 54.32 N ATOM 515 CA GLN A 32 10.157 -8.399 -19.162 1.00 0.33 C ATOM 516 C GLN A 32 9.197 -9.536 -18.777 1.00 65.43 C ATOM 517 O GLN A 32 8.430 -10.021 -19.614 1.00 24.55 O ATOM 518 CB GLN A 32 11.515 -8.988 -19.578 1.00 73.10 C ATOM 519 CG GLN A 32 12.485 -7.975 -20.183 1.00 3.53 C ATOM 520 CD GLN A 32 11.990 -7.391 -21.499 1.00 5.24 C ATOM 521 OE1 GLN A 32 11.300 -6.377 -21.524 1.00 22.44 O ATOM 522 NE2 GLN A 32 12.341 -8.022 -22.606 1.00 14.25 N ATOM 0 H GLN A 32 11.289 -7.311 -17.758 1.00 54.32 H new ATOM 0 HA GLN A 32 9.730 -7.854 -20.004 1.00 0.33 H new ATOM 0 HB2 GLN A 32 11.982 -9.443 -18.705 1.00 73.10 H new ATOM 0 HB3 GLN A 32 11.345 -9.786 -20.301 1.00 73.10 H new ATOM 0 HG2 GLN A 32 12.648 -7.166 -19.471 1.00 3.53 H new ATOM 0 HG3 GLN A 32 13.450 -8.456 -20.345 1.00 3.53 H new ATOM 0 HE21 GLN A 32 12.916 -8.863 -22.553 1.00 14.25 H new ATOM 0 HE22 GLN A 32 12.037 -7.668 -23.513 1.00 14.25 H new ATOM 531 N GLU A 33 9.245 -9.942 -17.503 1.00 43.42 N ATOM 532 CA GLU A 33 8.392 -11.021 -16.981 1.00 74.02 C ATOM 533 C GLU A 33 6.912 -10.769 -17.304 1.00 54.53 C ATOM 534 O GLU A 33 6.318 -11.457 -18.130 1.00 1.01 O ATOM 535 CB GLU A 33 8.570 -11.154 -15.450 1.00 1.21 C ATOM 536 CG GLU A 33 8.346 -12.564 -14.887 1.00 54.10 C ATOM 537 CD GLU A 33 7.073 -13.235 -15.388 1.00 61.54 C ATOM 538 OE1 GLU A 33 5.980 -12.876 -14.906 1.00 35.43 O ATOM 539 OE2 GLU A 33 7.172 -14.119 -16.270 1.00 30.32 O ATOM 0 H GLU A 33 9.871 -9.536 -16.807 1.00 43.42 H new ATOM 0 HA GLU A 33 8.699 -11.948 -17.466 1.00 74.02 H new ATOM 0 HB2 GLU A 33 9.578 -10.831 -15.188 1.00 1.21 H new ATOM 0 HB3 GLU A 33 7.878 -10.470 -14.959 1.00 1.21 H new ATOM 0 HG2 GLU A 33 9.201 -13.188 -15.148 1.00 54.10 H new ATOM 0 HG3 GLU A 33 8.312 -12.509 -13.799 1.00 54.10 H new ATOM 546 N THR A 34 6.337 -9.756 -16.665 1.00 54.11 N ATOM 547 CA THR A 34 4.892 -9.509 -16.739 1.00 43.12 C ATOM 548 C THR A 34 4.497 -8.585 -17.900 1.00 13.04 C ATOM 549 O THR A 34 3.311 -8.450 -18.213 1.00 43.03 O ATOM 550 CB THR A 34 4.373 -8.916 -15.414 1.00 75.24 C ATOM 551 OG1 THR A 34 5.096 -7.719 -15.100 1.00 24.23 O ATOM 552 CG2 THR A 34 4.531 -9.918 -14.277 1.00 0.51 C ATOM 0 H THR A 34 6.847 -9.088 -16.087 1.00 54.11 H new ATOM 0 HA THR A 34 4.429 -10.479 -16.921 1.00 43.12 H new ATOM 0 HB THR A 34 3.315 -8.684 -15.533 1.00 75.24 H new ATOM 0 HG1 THR A 34 4.481 -6.956 -15.099 1.00 24.23 H new ATOM 0 HG21 THR A 34 4.159 -9.479 -13.351 1.00 0.51 H new ATOM 0 HG22 THR A 34 3.963 -10.820 -14.505 1.00 0.51 H new ATOM 0 HG23 THR A 34 5.584 -10.172 -14.160 1.00 0.51 H new ATOM 560 N THR A 35 5.476 -7.939 -18.534 1.00 44.43 N ATOM 561 CA THR A 35 5.204 -7.152 -19.750 1.00 43.53 C ATOM 562 C THR A 35 4.975 -8.081 -20.946 1.00 54.55 C ATOM 563 O THR A 35 4.105 -7.835 -21.784 1.00 14.03 O ATOM 564 CB THR A 35 6.348 -6.159 -20.079 1.00 33.01 C ATOM 565 OG1 THR A 35 6.484 -5.199 -19.019 1.00 53.31 O ATOM 566 CG2 THR A 35 6.095 -5.426 -21.394 1.00 43.34 C ATOM 0 H THR A 35 6.452 -7.940 -18.237 1.00 44.43 H new ATOM 0 HA THR A 35 4.304 -6.570 -19.554 1.00 43.53 H new ATOM 0 HB THR A 35 7.267 -6.736 -20.180 1.00 33.01 H new ATOM 0 HG1 THR A 35 7.098 -5.547 -18.339 1.00 53.31 H new ATOM 0 HG21 THR A 35 6.918 -4.739 -21.592 1.00 43.34 H new ATOM 0 HG22 THR A 35 6.024 -6.150 -22.206 1.00 43.34 H new ATOM 0 HG23 THR A 35 5.163 -4.866 -21.325 1.00 43.34 H new ATOM 574 N LYS A 36 5.766 -9.152 -21.017 1.00 14.54 N ATOM 575 CA LYS A 36 5.578 -10.193 -22.035 1.00 12.33 C ATOM 576 C LYS A 36 4.703 -11.337 -21.490 1.00 42.34 C ATOM 577 O LYS A 36 4.110 -12.099 -22.257 1.00 13.10 O ATOM 578 CB LYS A 36 6.942 -10.723 -22.508 1.00 25.53 C ATOM 579 CG LYS A 36 7.818 -9.645 -23.149 1.00 23.14 C ATOM 580 CD LYS A 36 9.169 -10.190 -23.610 1.00 23.10 C ATOM 581 CE LYS A 36 9.019 -11.259 -24.690 1.00 12.50 C ATOM 582 NZ LYS A 36 8.346 -10.742 -25.914 1.00 74.13 N ATOM 0 H LYS A 36 6.545 -9.324 -20.382 1.00 14.54 H new ATOM 0 HA LYS A 36 5.062 -9.756 -22.890 1.00 12.33 H new ATOM 0 HB2 LYS A 36 7.471 -11.154 -21.658 1.00 25.53 H new ATOM 0 HB3 LYS A 36 6.783 -11.527 -23.226 1.00 25.53 H new ATOM 0 HG2 LYS A 36 7.293 -9.214 -24.002 1.00 23.14 H new ATOM 0 HG3 LYS A 36 7.980 -8.839 -22.433 1.00 23.14 H new ATOM 0 HD2 LYS A 36 9.778 -9.371 -23.993 1.00 23.10 H new ATOM 0 HD3 LYS A 36 9.700 -10.610 -22.756 1.00 23.10 H new ATOM 0 HE2 LYS A 36 10.004 -11.643 -24.956 1.00 12.50 H new ATOM 0 HE3 LYS A 36 8.447 -12.097 -24.291 1.00 12.50 H new ATOM 0 HZ1 LYS A 36 8.404 -11.455 -26.669 1.00 74.13 H new ATOM 0 HZ2 LYS A 36 7.348 -10.541 -25.703 1.00 74.13 H new ATOM 0 HZ3 LYS A 36 8.816 -9.868 -26.226 1.00 74.13 H new ATOM 596 N PHE A 37 4.645 -11.443 -20.157 1.00 24.40 N ATOM 597 CA PHE A 37 3.761 -12.385 -19.449 1.00 20.14 C ATOM 598 C PHE A 37 4.236 -13.844 -19.570 1.00 74.23 C ATOM 599 O PHE A 37 3.957 -14.520 -20.563 1.00 54.34 O ATOM 600 CB PHE A 37 2.302 -12.243 -19.926 1.00 62.23 C ATOM 601 CG PHE A 37 1.312 -13.052 -19.118 1.00 51.03 C ATOM 602 CD1 PHE A 37 1.074 -12.748 -17.783 1.00 4.33 C ATOM 603 CD2 PHE A 37 0.618 -14.109 -19.692 1.00 51.04 C ATOM 604 CE1 PHE A 37 0.166 -13.481 -17.042 1.00 5.35 C ATOM 605 CE2 PHE A 37 -0.290 -14.845 -18.953 1.00 43.21 C ATOM 606 CZ PHE A 37 -0.515 -14.529 -17.627 1.00 62.34 C ATOM 0 H PHE A 37 5.214 -10.873 -19.531 1.00 24.40 H new ATOM 0 HA PHE A 37 3.807 -12.122 -18.392 1.00 20.14 H new ATOM 0 HB2 PHE A 37 2.017 -11.192 -19.884 1.00 62.23 H new ATOM 0 HB3 PHE A 37 2.240 -12.549 -20.970 1.00 62.23 H new ATOM 0 HD1 PHE A 37 1.605 -11.930 -17.319 1.00 4.33 H new ATOM 0 HD2 PHE A 37 0.790 -14.359 -20.728 1.00 51.04 H new ATOM 0 HE1 PHE A 37 -0.010 -13.234 -16.006 1.00 5.35 H new ATOM 0 HE2 PHE A 37 -0.822 -15.665 -19.412 1.00 43.21 H new ATOM 0 HZ PHE A 37 -1.224 -15.102 -17.048 1.00 62.34 H new ATOM 616 N VAL A 38 4.973 -14.298 -18.541 1.00 64.23 N ATOM 617 CA VAL A 38 5.413 -15.701 -18.388 1.00 2.43 C ATOM 618 C VAL A 38 5.730 -16.415 -19.721 1.00 64.45 C ATOM 619 O VAL A 38 4.925 -17.201 -20.234 1.00 31.34 O ATOM 620 CB VAL A 38 4.387 -16.530 -17.557 1.00 21.02 C ATOM 621 CG1 VAL A 38 4.313 -16.007 -16.124 1.00 12.14 C ATOM 622 CG2 VAL A 38 2.992 -16.520 -18.187 1.00 32.44 C ATOM 0 H VAL A 38 5.285 -13.694 -17.780 1.00 64.23 H new ATOM 0 HA VAL A 38 6.356 -15.645 -17.844 1.00 2.43 H new ATOM 0 HB VAL A 38 4.740 -17.561 -17.550 1.00 21.02 H new ATOM 0 HG11 VAL A 38 3.592 -16.597 -15.558 1.00 12.14 H new ATOM 0 HG12 VAL A 38 5.294 -16.087 -15.656 1.00 12.14 H new ATOM 0 HG13 VAL A 38 4.000 -14.963 -16.133 1.00 12.14 H new ATOM 0 HG21 VAL A 38 2.311 -17.110 -17.573 1.00 32.44 H new ATOM 0 HG22 VAL A 38 2.628 -15.494 -18.249 1.00 32.44 H new ATOM 0 HG23 VAL A 38 3.042 -16.948 -19.188 1.00 32.44 H new ATOM 632 N THR A 39 6.913 -16.144 -20.286 1.00 72.10 N ATOM 633 CA THR A 39 7.276 -16.701 -21.604 1.00 44.00 C ATOM 634 C THR A 39 8.798 -16.742 -21.860 1.00 24.04 C ATOM 635 O THR A 39 9.311 -17.728 -22.388 1.00 1.32 O ATOM 636 CB THR A 39 6.615 -15.898 -22.767 1.00 65.22 C ATOM 637 OG1 THR A 39 5.182 -15.934 -22.670 1.00 32.44 O ATOM 638 CG2 THR A 39 7.031 -16.445 -24.132 1.00 64.33 C ATOM 0 H THR A 39 7.628 -15.552 -19.863 1.00 72.10 H new ATOM 0 HA THR A 39 6.902 -17.725 -21.582 1.00 44.00 H new ATOM 0 HB THR A 39 6.961 -14.868 -22.675 1.00 65.22 H new ATOM 0 HG1 THR A 39 4.884 -15.294 -21.990 1.00 32.44 H new ATOM 0 HG21 THR A 39 6.552 -15.862 -24.919 1.00 64.33 H new ATOM 0 HG22 THR A 39 8.114 -16.376 -24.237 1.00 64.33 H new ATOM 0 HG23 THR A 39 6.724 -17.488 -24.215 1.00 64.33 H new ATOM 646 N GLU A 40 9.529 -15.685 -21.493 1.00 15.55 N ATOM 647 CA GLU A 40 10.903 -15.499 -22.012 1.00 32.41 C ATOM 648 C GLU A 40 12.037 -15.979 -21.083 1.00 24.23 C ATOM 649 O GLU A 40 12.082 -15.689 -19.877 1.00 74.14 O ATOM 650 CB GLU A 40 11.146 -14.031 -22.397 1.00 32.33 C ATOM 651 CG GLU A 40 11.101 -13.780 -23.899 1.00 14.24 C ATOM 652 CD GLU A 40 12.075 -14.654 -24.678 1.00 1.23 C ATOM 653 OE1 GLU A 40 13.184 -14.931 -24.170 1.00 31.33 O ATOM 654 OE2 GLU A 40 11.730 -15.085 -25.800 1.00 43.44 O ATOM 0 H GLU A 40 9.210 -14.957 -20.854 1.00 15.55 H new ATOM 0 HA GLU A 40 10.946 -16.146 -22.888 1.00 32.41 H new ATOM 0 HB2 GLU A 40 10.396 -13.407 -21.910 1.00 32.33 H new ATOM 0 HB3 GLU A 40 12.118 -13.719 -22.014 1.00 32.33 H new ATOM 0 HG2 GLU A 40 10.089 -13.961 -24.262 1.00 14.24 H new ATOM 0 HG3 GLU A 40 11.327 -12.732 -24.093 1.00 14.24 H new ATOM 661 N ARG A 41 13.000 -16.667 -21.701 1.00 20.35 N ATOM 662 CA ARG A 41 14.209 -17.119 -21.012 1.00 12.31 C ATOM 663 C ARG A 41 15.134 -15.934 -20.700 1.00 42.02 C ATOM 664 O ARG A 41 16.003 -16.034 -19.834 1.00 21.15 O ATOM 665 CB ARG A 41 14.959 -18.153 -21.865 1.00 14.11 C ATOM 666 CG ARG A 41 14.077 -19.276 -22.408 1.00 74.54 C ATOM 667 CD ARG A 41 13.292 -19.982 -21.307 1.00 13.04 C ATOM 668 NE ARG A 41 12.470 -21.068 -21.838 1.00 21.42 N ATOM 669 CZ ARG A 41 11.182 -20.987 -22.037 1.00 64.51 C ATOM 670 NH1 ARG A 41 10.544 -19.888 -21.802 1.00 12.42 N ATOM 671 NH2 ARG A 41 10.534 -22.008 -22.493 1.00 61.13 N ATOM 0 H ARG A 41 12.964 -16.925 -22.687 1.00 20.35 H new ATOM 0 HA ARG A 41 13.907 -17.584 -20.073 1.00 12.31 H new ATOM 0 HB2 ARG A 41 15.433 -17.641 -22.703 1.00 14.11 H new ATOM 0 HB3 ARG A 41 15.758 -18.591 -21.266 1.00 14.11 H new ATOM 0 HG2 ARG A 41 13.382 -18.866 -23.141 1.00 74.54 H new ATOM 0 HG3 ARG A 41 14.699 -20.003 -22.930 1.00 74.54 H new ATOM 0 HD2 ARG A 41 13.984 -20.379 -20.565 1.00 13.04 H new ATOM 0 HD3 ARG A 41 12.655 -19.261 -20.795 1.00 13.04 H new ATOM 0 HE ARG A 41 12.933 -21.947 -22.068 1.00 21.42 H new ATOM 0 HH11 ARG A 41 11.047 -19.070 -21.457 1.00 12.42 H new ATOM 0 HH12 ARG A 41 9.538 -19.838 -21.962 1.00 12.42 H new ATOM 0 HH21 ARG A 41 11.029 -22.876 -22.697 1.00 61.13 H new ATOM 0 HH22 ARG A 41 9.528 -21.945 -22.649 1.00 61.13 H new ATOM 685 N GLU A 42 14.940 -14.815 -21.420 1.00 30.42 N ATOM 686 CA GLU A 42 15.680 -13.565 -21.156 1.00 51.23 C ATOM 687 C GLU A 42 15.852 -13.329 -19.651 1.00 54.20 C ATOM 688 O GLU A 42 16.967 -13.215 -19.142 1.00 2.04 O ATOM 689 CB GLU A 42 14.936 -12.355 -21.755 1.00 15.34 C ATOM 690 CG GLU A 42 14.891 -12.316 -23.276 1.00 34.14 C ATOM 691 CD GLU A 42 14.121 -11.112 -23.804 1.00 53.22 C ATOM 692 OE1 GLU A 42 14.532 -9.966 -23.517 1.00 61.31 O ATOM 693 OE2 GLU A 42 13.107 -11.300 -24.507 1.00 15.13 O ATOM 0 H GLU A 42 14.276 -14.749 -22.191 1.00 30.42 H new ATOM 0 HA GLU A 42 16.660 -13.669 -21.622 1.00 51.23 H new ATOM 0 HB2 GLU A 42 13.914 -12.352 -21.376 1.00 15.34 H new ATOM 0 HB3 GLU A 42 15.411 -11.442 -21.397 1.00 15.34 H new ATOM 0 HG2 GLU A 42 15.908 -12.293 -23.666 1.00 34.14 H new ATOM 0 HG3 GLU A 42 14.428 -13.231 -23.647 1.00 34.14 H new ATOM 700 N TYR A 43 14.725 -13.267 -18.950 1.00 52.22 N ATOM 701 CA TYR A 43 14.728 -13.049 -17.508 1.00 45.11 C ATOM 702 C TYR A 43 14.793 -14.373 -16.729 1.00 61.23 C ATOM 703 O TYR A 43 15.500 -14.459 -15.731 1.00 63.22 O ATOM 704 CB TYR A 43 13.504 -12.220 -17.089 1.00 71.12 C ATOM 705 CG TYR A 43 12.182 -12.774 -17.578 1.00 25.04 C ATOM 706 CD1 TYR A 43 11.665 -12.409 -18.818 1.00 71.22 C ATOM 707 CD2 TYR A 43 11.452 -13.659 -16.801 1.00 52.24 C ATOM 708 CE1 TYR A 43 10.460 -12.912 -19.263 1.00 3.55 C ATOM 709 CE2 TYR A 43 10.250 -14.164 -17.241 1.00 20.44 C ATOM 710 CZ TYR A 43 9.757 -13.790 -18.471 1.00 21.40 C ATOM 711 OH TYR A 43 8.551 -14.295 -18.906 1.00 25.23 O ATOM 0 H TYR A 43 13.795 -13.365 -19.358 1.00 52.22 H new ATOM 0 HA TYR A 43 15.629 -12.488 -17.259 1.00 45.11 H new ATOM 0 HB2 TYR A 43 13.478 -12.155 -16.001 1.00 71.12 H new ATOM 0 HB3 TYR A 43 13.621 -11.204 -17.466 1.00 71.12 H new ATOM 0 HD1 TYR A 43 12.216 -11.721 -19.442 1.00 71.22 H new ATOM 0 HD2 TYR A 43 11.832 -13.957 -15.835 1.00 52.24 H new ATOM 0 HE1 TYR A 43 10.071 -12.618 -20.227 1.00 3.55 H new ATOM 0 HE2 TYR A 43 9.694 -14.853 -16.622 1.00 20.44 H new ATOM 0 HH TYR A 43 7.884 -14.207 -18.194 1.00 25.23 H new ATOM 721 N TYR A 44 14.083 -15.414 -17.188 1.00 32.23 N ATOM 722 CA TYR A 44 14.090 -16.707 -16.471 1.00 11.43 C ATOM 723 C TYR A 44 15.514 -17.277 -16.283 1.00 34.00 C ATOM 724 O TYR A 44 15.772 -18.007 -15.329 1.00 53.22 O ATOM 725 CB TYR A 44 13.215 -17.749 -17.189 1.00 3.23 C ATOM 726 CG TYR A 44 11.717 -17.551 -17.005 1.00 20.12 C ATOM 727 CD1 TYR A 44 11.179 -17.269 -15.750 1.00 14.44 C ATOM 728 CD2 TYR A 44 10.841 -17.657 -18.082 1.00 5.53 C ATOM 729 CE1 TYR A 44 9.818 -17.097 -15.579 1.00 63.34 C ATOM 730 CE2 TYR A 44 9.480 -17.485 -17.917 1.00 4.33 C ATOM 731 CZ TYR A 44 8.974 -17.203 -16.666 1.00 35.14 C ATOM 732 OH TYR A 44 7.621 -17.026 -16.503 1.00 73.41 O ATOM 0 H TYR A 44 13.509 -15.394 -18.031 1.00 32.23 H new ATOM 0 HA TYR A 44 13.676 -16.503 -15.484 1.00 11.43 H new ATOM 0 HB2 TYR A 44 13.444 -17.724 -18.254 1.00 3.23 H new ATOM 0 HB3 TYR A 44 13.484 -18.742 -16.828 1.00 3.23 H new ATOM 0 HD1 TYR A 44 11.836 -17.184 -14.897 1.00 14.44 H new ATOM 0 HD2 TYR A 44 11.232 -17.878 -19.064 1.00 5.53 H new ATOM 0 HE1 TYR A 44 9.417 -16.881 -14.600 1.00 63.34 H new ATOM 0 HE2 TYR A 44 8.816 -17.571 -18.764 1.00 4.33 H new ATOM 0 HH TYR A 44 7.451 -16.145 -16.110 1.00 73.41 H new ATOM 742 N GLU A 45 16.427 -16.938 -17.191 1.00 40.34 N ATOM 743 CA GLU A 45 17.796 -17.481 -17.163 1.00 21.43 C ATOM 744 C GLU A 45 18.717 -16.739 -16.168 1.00 40.10 C ATOM 745 O GLU A 45 19.255 -17.343 -15.241 1.00 51.11 O ATOM 746 CB GLU A 45 18.399 -17.424 -18.574 1.00 74.44 C ATOM 747 CG GLU A 45 19.775 -18.077 -18.696 1.00 14.41 C ATOM 748 CD GLU A 45 20.346 -17.979 -20.103 1.00 35.40 C ATOM 749 OE1 GLU A 45 19.931 -18.767 -20.978 1.00 40.13 O ATOM 750 OE2 GLU A 45 21.211 -17.105 -20.344 1.00 3.31 O ATOM 0 H GLU A 45 16.250 -16.290 -17.958 1.00 40.34 H new ATOM 0 HA GLU A 45 17.727 -18.513 -16.820 1.00 21.43 H new ATOM 0 HB2 GLU A 45 17.715 -17.912 -19.269 1.00 74.44 H new ATOM 0 HB3 GLU A 45 18.476 -16.381 -18.882 1.00 74.44 H new ATOM 0 HG2 GLU A 45 20.462 -17.602 -17.995 1.00 14.41 H new ATOM 0 HG3 GLU A 45 19.702 -19.126 -18.410 1.00 14.41 H new ATOM 757 N ASP A 46 18.895 -15.429 -16.364 1.00 1.14 N ATOM 758 CA ASP A 46 19.894 -14.656 -15.600 1.00 25.52 C ATOM 759 C ASP A 46 19.245 -13.698 -14.578 1.00 10.54 C ATOM 760 O ASP A 46 19.902 -13.236 -13.643 1.00 2.01 O ATOM 761 CB ASP A 46 20.782 -13.869 -16.578 1.00 14.24 C ATOM 762 CG ASP A 46 21.958 -13.183 -15.895 1.00 40.10 C ATOM 763 OD1 ASP A 46 22.812 -13.892 -15.326 1.00 42.45 O ATOM 764 OD2 ASP A 46 22.041 -11.937 -15.942 1.00 51.24 O ATOM 0 H ASP A 46 18.366 -14.879 -17.041 1.00 1.14 H new ATOM 0 HA ASP A 46 20.497 -15.362 -15.030 1.00 25.52 H new ATOM 0 HB2 ASP A 46 21.159 -14.547 -17.344 1.00 14.24 H new ATOM 0 HB3 ASP A 46 20.176 -13.119 -17.087 1.00 14.24 H new ATOM 769 N PHE A 47 17.956 -13.414 -14.749 1.00 42.44 N ATOM 770 CA PHE A 47 17.245 -12.461 -13.882 1.00 43.32 C ATOM 771 C PHE A 47 16.055 -13.136 -13.176 1.00 35.40 C ATOM 772 O PHE A 47 15.102 -12.473 -12.772 1.00 44.03 O ATOM 773 CB PHE A 47 16.738 -11.274 -14.715 1.00 53.35 C ATOM 774 CG PHE A 47 17.802 -10.601 -15.548 1.00 12.14 C ATOM 775 CD1 PHE A 47 18.642 -9.649 -14.990 1.00 2.32 C ATOM 776 CD2 PHE A 47 17.954 -10.919 -16.890 1.00 11.40 C ATOM 777 CE1 PHE A 47 19.612 -9.030 -15.755 1.00 64.24 C ATOM 778 CE2 PHE A 47 18.920 -10.303 -17.658 1.00 31.31 C ATOM 779 CZ PHE A 47 19.751 -9.357 -17.090 1.00 41.43 C ATOM 0 H PHE A 47 17.377 -13.828 -15.479 1.00 42.44 H new ATOM 0 HA PHE A 47 17.944 -12.108 -13.124 1.00 43.32 H new ATOM 0 HB2 PHE A 47 15.942 -11.621 -15.374 1.00 53.35 H new ATOM 0 HB3 PHE A 47 16.297 -10.536 -14.044 1.00 53.35 H new ATOM 0 HD1 PHE A 47 18.537 -9.389 -13.947 1.00 2.32 H new ATOM 0 HD2 PHE A 47 17.308 -11.658 -17.339 1.00 11.40 H new ATOM 0 HE1 PHE A 47 20.261 -8.291 -15.309 1.00 64.24 H new ATOM 0 HE2 PHE A 47 19.026 -10.560 -18.702 1.00 31.31 H new ATOM 0 HZ PHE A 47 20.509 -8.874 -17.689 1.00 41.43 H new ATOM 789 N GLY A 48 16.130 -14.457 -13.024 1.00 22.54 N ATOM 790 CA GLY A 48 15.012 -15.225 -12.485 1.00 55.40 C ATOM 791 C GLY A 48 14.630 -14.873 -11.045 1.00 44.42 C ATOM 792 O GLY A 48 15.413 -14.284 -10.300 1.00 52.11 O ATOM 0 H GLY A 48 16.949 -15.014 -13.265 1.00 22.54 H new ATOM 0 HA2 GLY A 48 14.143 -15.073 -13.125 1.00 55.40 H new ATOM 0 HA3 GLY A 48 15.261 -16.285 -12.532 1.00 55.40 H new ATOM 1115 N PRO A 71 -1.562 -19.318 -4.636 1.00 71.22 N ATOM 1116 CA PRO A 71 -2.952 -19.508 -5.121 1.00 22.33 C ATOM 1117 C PRO A 71 -4.037 -18.814 -4.258 1.00 23.21 C ATOM 1118 O PRO A 71 -5.216 -18.811 -4.621 1.00 32.12 O ATOM 1119 CB PRO A 71 -3.118 -21.029 -5.074 1.00 15.20 C ATOM 1120 CG PRO A 71 -1.749 -21.554 -5.355 1.00 34.51 C ATOM 1121 CD PRO A 71 -0.787 -20.578 -4.717 1.00 33.21 C ATOM 0 HA PRO A 71 -3.090 -19.058 -6.104 1.00 22.33 H new ATOM 0 HB2 PRO A 71 -3.480 -21.361 -4.101 1.00 15.20 H new ATOM 0 HB3 PRO A 71 -3.838 -21.375 -5.816 1.00 15.20 H new ATOM 0 HG2 PRO A 71 -1.622 -22.554 -4.940 1.00 34.51 H new ATOM 0 HG3 PRO A 71 -1.573 -21.630 -6.428 1.00 34.51 H new ATOM 0 HD2 PRO A 71 -0.470 -20.916 -3.731 1.00 33.21 H new ATOM 0 HD3 PRO A 71 0.115 -20.455 -5.317 1.00 33.21 H new ATOM 1129 N LYS A 72 -3.629 -18.258 -3.110 1.00 11.03 N ATOM 1130 CA LYS A 72 -4.481 -17.393 -2.278 1.00 72.03 C ATOM 1131 C LYS A 72 -5.357 -16.475 -3.159 1.00 74.22 C ATOM 1132 O LYS A 72 -6.584 -16.462 -3.035 1.00 0.24 O ATOM 1133 CB LYS A 72 -3.576 -16.544 -1.356 1.00 35.12 C ATOM 1134 CG LYS A 72 -4.150 -16.191 0.025 1.00 21.34 C ATOM 1135 CD LYS A 72 -5.421 -15.340 -0.038 1.00 5.32 C ATOM 1136 CE LYS A 72 -6.686 -16.179 0.091 1.00 11.24 C ATOM 1137 NZ LYS A 72 -6.727 -16.934 1.371 1.00 12.42 N ATOM 0 H LYS A 72 -2.693 -18.395 -2.728 1.00 11.03 H new ATOM 0 HA LYS A 72 -5.147 -18.012 -1.677 1.00 72.03 H new ATOM 0 HB2 LYS A 72 -2.638 -17.080 -1.210 1.00 35.12 H new ATOM 0 HB3 LYS A 72 -3.335 -15.616 -1.874 1.00 35.12 H new ATOM 0 HG2 LYS A 72 -4.366 -17.113 0.565 1.00 21.34 H new ATOM 0 HG3 LYS A 72 -3.393 -15.656 0.598 1.00 21.34 H new ATOM 0 HD2 LYS A 72 -5.398 -14.597 0.759 1.00 5.32 H new ATOM 0 HD3 LYS A 72 -5.444 -14.795 -0.982 1.00 5.32 H new ATOM 0 HE2 LYS A 72 -7.559 -15.530 0.025 1.00 11.24 H new ATOM 0 HE3 LYS A 72 -6.744 -16.878 -0.744 1.00 11.24 H new ATOM 0 HZ1 LYS A 72 -7.716 -17.063 1.666 1.00 12.42 H new ATOM 0 HZ2 LYS A 72 -6.280 -17.864 1.240 1.00 12.42 H new ATOM 0 HZ3 LYS A 72 -6.213 -16.404 2.104 1.00 12.42 H new ATOM 1151 N LEU A 73 -4.717 -15.710 -4.051 1.00 24.44 N ATOM 1152 CA LEU A 73 -5.445 -14.874 -5.023 1.00 31.12 C ATOM 1153 C LEU A 73 -5.152 -15.316 -6.467 1.00 74.14 C ATOM 1154 O LEU A 73 -5.981 -15.129 -7.360 1.00 22.53 O ATOM 1155 CB LEU A 73 -5.082 -13.383 -4.879 1.00 12.52 C ATOM 1156 CG LEU A 73 -5.334 -12.740 -3.501 1.00 5.50 C ATOM 1157 CD1 LEU A 73 -4.233 -13.113 -2.512 1.00 50.41 C ATOM 1158 CD2 LEU A 73 -5.457 -11.220 -3.629 1.00 52.32 C ATOM 0 H LEU A 73 -3.701 -15.650 -4.123 1.00 24.44 H new ATOM 0 HA LEU A 73 -6.506 -15.004 -4.809 1.00 31.12 H new ATOM 0 HB2 LEU A 73 -4.026 -13.265 -5.122 1.00 12.52 H new ATOM 0 HB3 LEU A 73 -5.645 -12.822 -5.625 1.00 12.52 H new ATOM 0 HG LEU A 73 -6.276 -13.129 -3.115 1.00 5.50 H new ATOM 0 HD11 LEU A 73 -4.436 -12.646 -1.548 1.00 50.41 H new ATOM 0 HD12 LEU A 73 -4.204 -14.196 -2.391 1.00 50.41 H new ATOM 0 HD13 LEU A 73 -3.272 -12.764 -2.889 1.00 50.41 H new ATOM 0 HD21 LEU A 73 -5.635 -10.785 -2.645 1.00 52.32 H new ATOM 0 HD22 LEU A 73 -4.534 -10.814 -4.044 1.00 52.32 H new ATOM 0 HD23 LEU A 73 -6.290 -10.977 -4.289 1.00 52.32 H new ATOM 1170 N LEU A 74 -3.969 -15.896 -6.681 1.00 13.11 N ATOM 1171 CA LEU A 74 -3.505 -16.279 -8.024 1.00 43.14 C ATOM 1172 C LEU A 74 -4.336 -17.425 -8.634 1.00 61.33 C ATOM 1173 O LEU A 74 -4.457 -18.502 -8.041 1.00 14.13 O ATOM 1174 CB LEU A 74 -2.027 -16.701 -7.964 1.00 64.43 C ATOM 1175 CG LEU A 74 -1.392 -17.116 -9.305 1.00 23.01 C ATOM 1176 CD1 LEU A 74 -1.325 -15.933 -10.271 1.00 51.45 C ATOM 1177 CD2 LEU A 74 -0.002 -17.710 -9.084 1.00 31.53 C ATOM 0 H LEU A 74 -3.307 -16.114 -5.936 1.00 13.11 H new ATOM 0 HA LEU A 74 -3.628 -15.406 -8.665 1.00 43.14 H new ATOM 0 HB2 LEU A 74 -1.449 -15.874 -7.551 1.00 64.43 H new ATOM 0 HB3 LEU A 74 -1.935 -17.534 -7.267 1.00 64.43 H new ATOM 0 HG LEU A 74 -2.025 -17.881 -9.753 1.00 23.01 H new ATOM 0 HD11 LEU A 74 -0.873 -16.254 -11.209 1.00 51.45 H new ATOM 0 HD12 LEU A 74 -2.332 -15.562 -10.462 1.00 51.45 H new ATOM 0 HD13 LEU A 74 -0.723 -15.138 -9.831 1.00 51.45 H new ATOM 0 HD21 LEU A 74 0.428 -17.996 -10.044 1.00 31.53 H new ATOM 0 HD22 LEU A 74 0.639 -16.969 -8.606 1.00 31.53 H new ATOM 0 HD23 LEU A 74 -0.080 -18.589 -8.444 1.00 31.53 H new ATOM 1189 N PRO A 75 -4.925 -17.205 -9.832 1.00 55.03 N ATOM 1190 CA PRO A 75 -5.581 -18.276 -10.603 1.00 54.41 C ATOM 1191 C PRO A 75 -4.584 -19.368 -11.036 1.00 12.34 C ATOM 1192 O PRO A 75 -3.386 -19.114 -11.165 1.00 72.21 O ATOM 1193 CB PRO A 75 -6.155 -17.546 -11.833 1.00 42.52 C ATOM 1194 CG PRO A 75 -6.187 -16.102 -11.447 1.00 24.20 C ATOM 1195 CD PRO A 75 -5.024 -15.902 -10.515 1.00 1.42 C ATOM 0 HA PRO A 75 -6.340 -18.794 -10.017 1.00 54.41 H new ATOM 0 HB2 PRO A 75 -5.532 -17.705 -12.713 1.00 42.52 H new ATOM 0 HB3 PRO A 75 -7.152 -17.911 -12.079 1.00 42.52 H new ATOM 0 HG2 PRO A 75 -6.100 -15.461 -12.324 1.00 24.20 H new ATOM 0 HG3 PRO A 75 -7.128 -15.848 -10.959 1.00 24.20 H new ATOM 0 HD2 PRO A 75 -4.110 -15.658 -11.056 1.00 1.42 H new ATOM 0 HD3 PRO A 75 -5.205 -15.089 -9.812 1.00 1.42 H new ATOM 1203 N TYR A 76 -5.077 -20.579 -11.283 1.00 64.11 N ATOM 1204 CA TYR A 76 -4.196 -21.715 -11.577 1.00 70.35 C ATOM 1205 C TYR A 76 -4.437 -22.307 -12.978 1.00 0.21 C ATOM 1206 O TYR A 76 -5.366 -23.084 -13.196 1.00 61.35 O ATOM 1207 CB TYR A 76 -4.340 -22.794 -10.486 1.00 42.01 C ATOM 1208 CG TYR A 76 -5.778 -23.115 -10.108 1.00 51.10 C ATOM 1209 CD1 TYR A 76 -6.476 -22.306 -9.215 1.00 64.11 C ATOM 1210 CD2 TYR A 76 -6.439 -24.220 -10.639 1.00 62.31 C ATOM 1211 CE1 TYR A 76 -7.781 -22.587 -8.866 1.00 32.34 C ATOM 1212 CE2 TYR A 76 -7.747 -24.505 -10.293 1.00 41.32 C ATOM 1213 CZ TYR A 76 -8.411 -23.686 -9.407 1.00 54.44 C ATOM 1214 OH TYR A 76 -9.715 -23.966 -9.060 1.00 50.23 O ATOM 0 H TYR A 76 -6.072 -20.802 -11.287 1.00 64.11 H new ATOM 0 HA TYR A 76 -3.172 -21.341 -11.575 1.00 70.35 H new ATOM 0 HB2 TYR A 76 -3.854 -23.708 -10.829 1.00 42.01 H new ATOM 0 HB3 TYR A 76 -3.807 -22.465 -9.594 1.00 42.01 H new ATOM 0 HD1 TYR A 76 -5.987 -21.443 -8.788 1.00 64.11 H new ATOM 0 HD2 TYR A 76 -5.921 -24.865 -11.333 1.00 62.31 H new ATOM 0 HE1 TYR A 76 -8.306 -21.948 -8.172 1.00 32.34 H new ATOM 0 HE2 TYR A 76 -8.245 -25.365 -10.715 1.00 41.32 H new ATOM 0 HH TYR A 76 -10.012 -24.773 -9.529 1.00 50.23 H new ATOM 1224 N ASP A 77 -3.596 -21.903 -13.928 1.00 23.43 N ATOM 1225 CA ASP A 77 -3.565 -22.503 -15.267 1.00 15.10 C ATOM 1226 C ASP A 77 -2.195 -23.161 -15.516 1.00 12.34 C ATOM 1227 O ASP A 77 -1.180 -22.676 -15.023 1.00 55.22 O ATOM 1228 CB ASP A 77 -3.867 -21.445 -16.334 1.00 21.30 C ATOM 1229 CG ASP A 77 -5.285 -20.904 -16.219 1.00 1.33 C ATOM 1230 OD1 ASP A 77 -6.211 -21.534 -16.773 1.00 44.03 O ATOM 1231 OD2 ASP A 77 -5.484 -19.852 -15.571 1.00 41.42 O ATOM 0 H ASP A 77 -2.917 -21.153 -13.795 1.00 23.43 H new ATOM 0 HA ASP A 77 -4.334 -23.273 -15.329 1.00 15.10 H new ATOM 0 HB2 ASP A 77 -3.157 -20.623 -16.240 1.00 21.30 H new ATOM 0 HB3 ASP A 77 -3.724 -21.878 -17.324 1.00 21.30 H new ATOM 1236 N LYS A 78 -2.177 -24.245 -16.297 1.00 23.13 N ATOM 1237 CA LYS A 78 -0.990 -25.118 -16.442 1.00 42.35 C ATOM 1238 C LYS A 78 0.354 -24.353 -16.485 1.00 1.23 C ATOM 1239 O LYS A 78 1.031 -24.212 -15.461 1.00 32.41 O ATOM 1240 CB LYS A 78 -1.135 -25.992 -17.696 1.00 44.43 C ATOM 1241 CG LYS A 78 -2.348 -26.919 -17.664 1.00 63.12 C ATOM 1242 CD LYS A 78 -2.493 -27.719 -18.957 1.00 2.13 C ATOM 1243 CE LYS A 78 -2.730 -26.817 -20.164 1.00 55.51 C ATOM 1244 NZ LYS A 78 -2.936 -27.602 -21.405 1.00 13.24 N ATOM 0 H LYS A 78 -2.979 -24.549 -16.849 1.00 23.13 H new ATOM 0 HA LYS A 78 -0.957 -25.737 -15.545 1.00 42.35 H new ATOM 0 HB2 LYS A 78 -1.206 -25.346 -18.571 1.00 44.43 H new ATOM 0 HB3 LYS A 78 -0.233 -26.593 -17.815 1.00 44.43 H new ATOM 0 HG2 LYS A 78 -2.258 -27.605 -16.822 1.00 63.12 H new ATOM 0 HG3 LYS A 78 -3.250 -26.330 -17.500 1.00 63.12 H new ATOM 0 HD2 LYS A 78 -1.593 -28.312 -19.119 1.00 2.13 H new ATOM 0 HD3 LYS A 78 -3.323 -28.419 -18.859 1.00 2.13 H new ATOM 0 HE2 LYS A 78 -3.602 -26.188 -19.983 1.00 55.51 H new ATOM 0 HE3 LYS A 78 -1.877 -26.150 -20.293 1.00 55.51 H new ATOM 0 HZ1 LYS A 78 -3.094 -26.954 -22.203 1.00 13.24 H new ATOM 0 HZ2 LYS A 78 -2.094 -28.183 -21.592 1.00 13.24 H new ATOM 0 HZ3 LYS A 78 -3.765 -28.220 -21.291 1.00 13.24 H new ATOM 1258 N ARG A 79 0.738 -23.857 -17.659 1.00 32.43 N ATOM 1259 CA ARG A 79 2.046 -23.213 -17.824 1.00 74.35 C ATOM 1260 C ARG A 79 2.038 -21.757 -17.336 1.00 23.31 C ATOM 1261 O ARG A 79 3.065 -21.243 -16.890 1.00 21.01 O ATOM 1262 CB ARG A 79 2.504 -23.291 -19.288 1.00 2.42 C ATOM 1263 CG ARG A 79 2.756 -24.720 -19.772 1.00 60.53 C ATOM 1264 CD ARG A 79 3.397 -24.752 -21.157 1.00 3.40 C ATOM 1265 NE ARG A 79 3.686 -26.120 -21.597 1.00 20.22 N ATOM 1266 CZ ARG A 79 4.808 -26.501 -22.154 1.00 53.45 C ATOM 1267 NH1 ARG A 79 5.789 -25.670 -22.305 1.00 63.42 N ATOM 1268 NH2 ARG A 79 4.953 -27.723 -22.543 1.00 40.53 N ATOM 0 H ARG A 79 0.170 -23.886 -18.506 1.00 32.43 H new ATOM 0 HA ARG A 79 2.757 -23.758 -17.203 1.00 74.35 H new ATOM 0 HB2 ARG A 79 1.748 -22.829 -19.922 1.00 2.42 H new ATOM 0 HB3 ARG A 79 3.418 -22.709 -19.406 1.00 2.42 H new ATOM 0 HG2 ARG A 79 3.403 -25.234 -19.061 1.00 60.53 H new ATOM 0 HG3 ARG A 79 1.813 -25.266 -19.797 1.00 60.53 H new ATOM 0 HD2 ARG A 79 2.732 -24.273 -21.875 1.00 3.40 H new ATOM 0 HD3 ARG A 79 4.320 -24.173 -21.143 1.00 3.40 H new ATOM 0 HE ARG A 79 2.962 -26.825 -21.460 1.00 20.22 H new ATOM 0 HH11 ARG A 79 5.693 -24.705 -21.988 1.00 63.42 H new ATOM 0 HH12 ARG A 79 6.658 -25.980 -22.741 1.00 63.42 H new ATOM 0 HH21 ARG A 79 4.193 -28.392 -22.417 1.00 40.53 H new ATOM 0 HH22 ARG A 79 5.827 -28.020 -22.977 1.00 40.53 H new ATOM 1282 N LEU A 80 0.878 -21.103 -17.411 1.00 41.01 N ATOM 1283 CA LEU A 80 0.736 -19.721 -16.928 1.00 40.40 C ATOM 1284 C LEU A 80 1.054 -19.629 -15.426 1.00 72.54 C ATOM 1285 O LEU A 80 1.970 -18.912 -15.013 1.00 42.24 O ATOM 1286 CB LEU A 80 -0.685 -19.181 -17.194 1.00 71.15 C ATOM 1287 CG LEU A 80 -1.049 -18.922 -18.671 1.00 34.30 C ATOM 1288 CD1 LEU A 80 -1.154 -20.228 -19.458 1.00 43.21 C ATOM 1289 CD2 LEU A 80 -2.351 -18.125 -18.772 1.00 72.25 C ATOM 0 H LEU A 80 0.024 -21.503 -17.799 1.00 41.01 H new ATOM 0 HA LEU A 80 1.450 -19.108 -17.478 1.00 40.40 H new ATOM 0 HB2 LEU A 80 -1.404 -19.890 -16.783 1.00 71.15 H new ATOM 0 HB3 LEU A 80 -0.806 -18.249 -16.643 1.00 71.15 H new ATOM 0 HG LEU A 80 -0.246 -18.333 -19.113 1.00 34.30 H new ATOM 0 HD11 LEU A 80 -1.412 -20.009 -20.494 1.00 43.21 H new ATOM 0 HD12 LEU A 80 -0.198 -20.751 -19.425 1.00 43.21 H new ATOM 0 HD13 LEU A 80 -1.927 -20.857 -19.017 1.00 43.21 H new ATOM 0 HD21 LEU A 80 -2.591 -17.952 -19.821 1.00 72.25 H new ATOM 0 HD22 LEU A 80 -3.159 -18.687 -18.302 1.00 72.25 H new ATOM 0 HD23 LEU A 80 -2.232 -17.168 -18.265 1.00 72.25 H new ATOM 1301 N ALA A 81 0.304 -20.376 -14.617 1.00 51.33 N ATOM 1302 CA ALA A 81 0.507 -20.390 -13.165 1.00 71.51 C ATOM 1303 C ALA A 81 1.865 -20.993 -12.791 1.00 2.12 C ATOM 1304 O ALA A 81 2.544 -20.484 -11.902 1.00 74.42 O ATOM 1305 CB ALA A 81 -0.614 -21.155 -12.476 1.00 11.14 C ATOM 0 H ALA A 81 -0.451 -20.981 -14.941 1.00 51.33 H new ATOM 0 HA ALA A 81 0.494 -19.355 -12.822 1.00 71.51 H new ATOM 0 HB1 ALA A 81 -0.446 -21.155 -11.399 1.00 11.14 H new ATOM 0 HB2 ALA A 81 -1.569 -20.677 -12.695 1.00 11.14 H new ATOM 0 HB3 ALA A 81 -0.631 -22.182 -12.840 1.00 11.14 H new ATOM 1311 N TRP A 82 2.258 -22.077 -13.471 1.00 63.24 N ATOM 1312 CA TRP A 82 3.571 -22.694 -13.237 1.00 74.24 C ATOM 1313 C TRP A 82 4.703 -21.659 -13.322 1.00 32.54 C ATOM 1314 O TRP A 82 5.471 -21.491 -12.380 1.00 2.23 O ATOM 1315 CB TRP A 82 3.834 -23.823 -14.245 1.00 71.01 C ATOM 1316 CG TRP A 82 5.209 -24.427 -14.116 1.00 41.25 C ATOM 1317 CD1 TRP A 82 6.308 -24.151 -14.885 1.00 71.12 C ATOM 1318 CD2 TRP A 82 5.633 -25.394 -13.146 1.00 31.34 C ATOM 1319 NE1 TRP A 82 7.387 -24.883 -14.447 1.00 35.23 N ATOM 1320 CE2 TRP A 82 6.996 -25.657 -13.385 1.00 60.21 C ATOM 1321 CE3 TRP A 82 4.992 -26.063 -12.100 1.00 41.24 C ATOM 1322 CZ2 TRP A 82 7.728 -26.558 -12.614 1.00 72.33 C ATOM 1323 CZ3 TRP A 82 5.718 -26.959 -11.336 1.00 70.34 C ATOM 1324 CH2 TRP A 82 7.073 -27.197 -11.596 1.00 61.20 C ATOM 0 H TRP A 82 1.692 -22.542 -14.181 1.00 63.24 H new ATOM 0 HA TRP A 82 3.554 -23.109 -12.229 1.00 74.24 H new ATOM 0 HB2 TRP A 82 3.087 -24.605 -14.108 1.00 71.01 H new ATOM 0 HB3 TRP A 82 3.708 -23.435 -15.256 1.00 71.01 H new ATOM 0 HD1 TRP A 82 6.325 -23.459 -15.714 1.00 71.12 H new ATOM 0 HE1 TRP A 82 8.325 -24.855 -14.847 1.00 35.23 H new ATOM 0 HE3 TRP A 82 3.948 -25.884 -11.892 1.00 41.24 H new ATOM 0 HZ2 TRP A 82 8.773 -26.745 -12.812 1.00 72.33 H new ATOM 0 HZ3 TRP A 82 5.232 -27.483 -10.526 1.00 70.34 H new ATOM 0 HH2 TRP A 82 7.613 -27.900 -10.980 1.00 61.20 H new ATOM 1335 N HIS A 83 4.787 -20.958 -14.453 1.00 71.43 N ATOM 1336 CA HIS A 83 5.857 -19.978 -14.676 1.00 12.53 C ATOM 1337 C HIS A 83 5.835 -18.850 -13.631 1.00 14.01 C ATOM 1338 O HIS A 83 6.853 -18.555 -13.004 1.00 24.41 O ATOM 1339 CB HIS A 83 5.745 -19.381 -16.081 1.00 74.33 C ATOM 1340 CG HIS A 83 6.067 -20.344 -17.182 1.00 41.44 C ATOM 1341 ND1 HIS A 83 5.240 -20.555 -18.263 1.00 12.22 N ATOM 1342 CD2 HIS A 83 7.147 -21.136 -17.382 1.00 4.44 C ATOM 1343 CE1 HIS A 83 5.792 -21.429 -19.076 1.00 63.21 C ATOM 1344 NE2 HIS A 83 6.948 -21.800 -18.566 1.00 73.33 N ATOM 0 H HIS A 83 4.130 -21.048 -15.228 1.00 71.43 H new ATOM 0 HA HIS A 83 6.805 -20.507 -14.576 1.00 12.53 H new ATOM 0 HB2 HIS A 83 4.732 -19.006 -16.225 1.00 74.33 H new ATOM 0 HB3 HIS A 83 6.415 -18.524 -16.155 1.00 74.33 H new ATOM 0 HD1 HIS A 83 4.338 -20.103 -18.410 1.00 12.22 H new ATOM 0 HD2 HIS A 83 8.004 -21.228 -16.732 1.00 4.44 H new ATOM 0 HE1 HIS A 83 5.369 -21.783 -20.005 1.00 63.21 H new ATOM 1353 N PHE A 84 4.669 -18.232 -13.446 1.00 52.31 N ATOM 1354 CA PHE A 84 4.521 -17.110 -12.509 1.00 11.04 C ATOM 1355 C PHE A 84 4.854 -17.539 -11.067 1.00 0.44 C ATOM 1356 O PHE A 84 5.704 -16.941 -10.399 1.00 31.21 O ATOM 1357 CB PHE A 84 3.086 -16.563 -12.582 1.00 62.31 C ATOM 1358 CG PHE A 84 2.916 -15.208 -11.945 1.00 32.05 C ATOM 1359 CD1 PHE A 84 3.195 -14.056 -12.667 1.00 31.20 C ATOM 1360 CD2 PHE A 84 2.475 -15.083 -10.635 1.00 32.21 C ATOM 1361 CE1 PHE A 84 3.037 -12.809 -12.099 1.00 10.43 C ATOM 1362 CE2 PHE A 84 2.316 -13.836 -10.061 1.00 35.44 C ATOM 1363 CZ PHE A 84 2.597 -12.699 -10.793 1.00 21.14 C ATOM 0 H PHE A 84 3.809 -18.487 -13.932 1.00 52.31 H new ATOM 0 HA PHE A 84 5.224 -16.328 -12.795 1.00 11.04 H new ATOM 0 HB2 PHE A 84 2.783 -16.503 -13.627 1.00 62.31 H new ATOM 0 HB3 PHE A 84 2.413 -17.269 -12.096 1.00 62.31 H new ATOM 0 HD1 PHE A 84 3.540 -14.137 -13.687 1.00 31.20 H new ATOM 0 HD2 PHE A 84 2.254 -15.969 -10.058 1.00 32.21 H new ATOM 0 HE1 PHE A 84 3.256 -11.921 -12.673 1.00 10.43 H new ATOM 0 HE2 PHE A 84 1.972 -13.751 -9.041 1.00 35.44 H new ATOM 0 HZ PHE A 84 2.473 -11.724 -10.345 1.00 21.14 H new ATOM 1373 N LYS A 85 4.177 -18.583 -10.600 1.00 44.23 N ATOM 1374 CA LYS A 85 4.418 -19.133 -9.265 1.00 32.43 C ATOM 1375 C LYS A 85 5.888 -19.540 -9.080 1.00 0.41 C ATOM 1376 O LYS A 85 6.523 -19.128 -8.118 1.00 0.31 O ATOM 1377 CB LYS A 85 3.501 -20.336 -9.007 1.00 13.01 C ATOM 1378 CG LYS A 85 3.645 -20.935 -7.610 1.00 61.22 C ATOM 1379 CD LYS A 85 2.708 -22.123 -7.396 1.00 31.04 C ATOM 1380 CE LYS A 85 3.009 -23.267 -8.359 1.00 23.45 C ATOM 1381 NZ LYS A 85 2.105 -24.427 -8.144 1.00 72.15 N ATOM 0 H LYS A 85 3.452 -19.070 -11.128 1.00 44.23 H new ATOM 0 HA LYS A 85 4.192 -18.351 -8.540 1.00 32.43 H new ATOM 0 HB2 LYS A 85 2.466 -20.030 -9.155 1.00 13.01 H new ATOM 0 HB3 LYS A 85 3.714 -21.108 -9.746 1.00 13.01 H new ATOM 0 HG2 LYS A 85 4.676 -21.255 -7.457 1.00 61.22 H new ATOM 0 HG3 LYS A 85 3.435 -20.169 -6.864 1.00 61.22 H new ATOM 0 HD2 LYS A 85 2.801 -22.478 -6.370 1.00 31.04 H new ATOM 0 HD3 LYS A 85 1.676 -21.799 -7.528 1.00 31.04 H new ATOM 0 HE2 LYS A 85 2.908 -22.914 -9.385 1.00 23.45 H new ATOM 0 HE3 LYS A 85 4.044 -23.585 -8.232 1.00 23.45 H new ATOM 0 HZ1 LYS A 85 2.343 -25.182 -8.818 1.00 72.15 H new ATOM 0 HZ2 LYS A 85 2.220 -24.781 -7.173 1.00 72.15 H new ATOM 0 HZ3 LYS A 85 1.119 -24.130 -8.290 1.00 72.15 H new ATOM 1395 N GLU A 86 6.427 -20.334 -10.009 1.00 64.52 N ATOM 1396 CA GLU A 86 7.831 -20.771 -9.931 1.00 64.02 C ATOM 1397 C GLU A 86 8.779 -19.566 -9.825 1.00 62.13 C ATOM 1398 O GLU A 86 9.736 -19.584 -9.051 1.00 2.51 O ATOM 1399 CB GLU A 86 8.201 -21.633 -11.148 1.00 4.00 C ATOM 1400 CG GLU A 86 9.630 -22.179 -11.129 1.00 71.34 C ATOM 1401 CD GLU A 86 9.897 -23.137 -9.971 1.00 23.10 C ATOM 1402 OE1 GLU A 86 9.508 -24.322 -10.069 1.00 64.41 O ATOM 1403 OE2 GLU A 86 10.517 -22.718 -8.967 1.00 1.12 O ATOM 0 H GLU A 86 5.920 -20.688 -10.820 1.00 64.52 H new ATOM 0 HA GLU A 86 7.942 -21.374 -9.030 1.00 64.02 H new ATOM 0 HB2 GLU A 86 7.506 -22.471 -11.208 1.00 4.00 H new ATOM 0 HB3 GLU A 86 8.064 -21.040 -12.052 1.00 4.00 H new ATOM 0 HG2 GLU A 86 9.827 -22.694 -12.069 1.00 71.34 H new ATOM 0 HG3 GLU A 86 10.329 -21.345 -11.069 1.00 71.34 H new ATOM 1410 N PHE A 87 8.490 -18.509 -10.589 1.00 61.32 N ATOM 1411 CA PHE A 87 9.263 -17.262 -10.514 1.00 65.20 C ATOM 1412 C PHE A 87 9.314 -16.751 -9.067 1.00 32.13 C ATOM 1413 O PHE A 87 10.360 -16.354 -8.569 1.00 31.15 O ATOM 1414 CB PHE A 87 8.631 -16.190 -11.425 1.00 71.35 C ATOM 1415 CG PHE A 87 9.528 -15.012 -11.729 1.00 73.43 C ATOM 1416 CD1 PHE A 87 10.557 -15.128 -12.655 1.00 1.21 C ATOM 1417 CD2 PHE A 87 9.335 -13.787 -11.104 1.00 51.44 C ATOM 1418 CE1 PHE A 87 11.373 -14.051 -12.947 1.00 65.00 C ATOM 1419 CE2 PHE A 87 10.149 -12.707 -11.396 1.00 22.32 C ATOM 1420 CZ PHE A 87 11.169 -12.840 -12.318 1.00 2.44 C ATOM 0 H PHE A 87 7.728 -18.490 -11.266 1.00 61.32 H new ATOM 0 HA PHE A 87 10.279 -17.464 -10.852 1.00 65.20 H new ATOM 0 HB2 PHE A 87 8.338 -16.658 -12.365 1.00 71.35 H new ATOM 0 HB3 PHE A 87 7.719 -15.823 -10.953 1.00 71.35 H new ATOM 0 HD1 PHE A 87 10.722 -16.072 -13.153 1.00 1.21 H new ATOM 0 HD2 PHE A 87 8.540 -13.676 -10.381 1.00 51.44 H new ATOM 0 HE1 PHE A 87 12.170 -14.158 -13.668 1.00 65.00 H new ATOM 0 HE2 PHE A 87 9.987 -11.760 -10.903 1.00 22.32 H new ATOM 0 HZ PHE A 87 11.805 -11.998 -12.546 1.00 2.44 H new ATOM 1430 N CYS A 88 8.173 -16.779 -8.392 1.00 2.41 N ATOM 1431 CA CYS A 88 8.082 -16.290 -7.010 1.00 23.23 C ATOM 1432 C CYS A 88 7.971 -17.433 -5.982 1.00 44.34 C ATOM 1433 O CYS A 88 7.611 -17.209 -4.830 1.00 13.14 O ATOM 1434 CB CYS A 88 6.880 -15.358 -6.894 1.00 62.11 C ATOM 1435 SG CYS A 88 6.912 -13.974 -8.064 1.00 35.14 S ATOM 0 H CYS A 88 7.295 -17.133 -8.772 1.00 2.41 H new ATOM 0 HA CYS A 88 9.004 -15.755 -6.781 1.00 23.23 H new ATOM 0 HB2 CYS A 88 5.969 -15.934 -7.052 1.00 62.11 H new ATOM 0 HB3 CYS A 88 6.835 -14.963 -5.879 1.00 62.11 H new ATOM 0 HG CYS A 88 5.854 -13.238 -7.895 1.00 35.14 H new ATOM 1441 N TYR A 89 8.298 -18.656 -6.392 1.00 63.51 N ATOM 1442 CA TYR A 89 8.198 -19.825 -5.505 1.00 24.00 C ATOM 1443 C TYR A 89 9.400 -19.915 -4.544 1.00 64.31 C ATOM 1444 O TYR A 89 9.454 -20.790 -3.675 1.00 3.32 O ATOM 1445 CB TYR A 89 8.080 -21.105 -6.350 1.00 72.41 C ATOM 1446 CG TYR A 89 7.705 -22.347 -5.561 1.00 52.42 C ATOM 1447 CD1 TYR A 89 6.484 -22.430 -4.894 1.00 12.05 C ATOM 1448 CD2 TYR A 89 8.567 -23.435 -5.483 1.00 12.50 C ATOM 1449 CE1 TYR A 89 6.139 -23.560 -4.175 1.00 33.12 C ATOM 1450 CE2 TYR A 89 8.226 -24.564 -4.767 1.00 63.44 C ATOM 1451 CZ TYR A 89 7.016 -24.624 -4.116 1.00 4.24 C ATOM 1452 OH TYR A 89 6.685 -25.755 -3.399 1.00 75.33 O ATOM 0 H TYR A 89 8.635 -18.869 -7.331 1.00 63.51 H new ATOM 0 HA TYR A 89 7.304 -19.714 -4.892 1.00 24.00 H new ATOM 0 HB2 TYR A 89 7.333 -20.945 -7.128 1.00 72.41 H new ATOM 0 HB3 TYR A 89 9.031 -21.282 -6.853 1.00 72.41 H new ATOM 0 HD1 TYR A 89 5.796 -21.599 -4.939 1.00 12.05 H new ATOM 0 HD2 TYR A 89 9.519 -23.396 -5.991 1.00 12.50 H new ATOM 0 HE1 TYR A 89 5.189 -23.609 -3.663 1.00 33.12 H new ATOM 0 HE2 TYR A 89 8.908 -25.400 -4.718 1.00 63.44 H new ATOM 0 HH TYR A 89 7.413 -26.408 -3.463 1.00 75.33 H new ATOM 1462 N LYS A 90 10.359 -19.002 -4.711 1.00 52.23 N ATOM 1463 CA LYS A 90 11.543 -18.924 -3.839 1.00 24.32 C ATOM 1464 C LYS A 90 12.424 -20.181 -3.906 1.00 61.23 C ATOM 1465 O LYS A 90 13.094 -20.530 -2.934 1.00 2.41 O ATOM 1466 CB LYS A 90 11.130 -18.629 -2.385 1.00 21.51 C ATOM 1467 CG LYS A 90 10.972 -17.142 -2.085 1.00 65.11 C ATOM 1468 CD LYS A 90 10.439 -16.903 -0.679 1.00 41.03 C ATOM 1469 CE LYS A 90 10.459 -15.424 -0.313 1.00 61.23 C ATOM 1470 NZ LYS A 90 9.505 -15.120 0.782 1.00 15.22 N ATOM 0 H LYS A 90 10.342 -18.298 -5.449 1.00 52.23 H new ATOM 0 HA LYS A 90 12.149 -18.099 -4.213 1.00 24.32 H new ATOM 0 HB2 LYS A 90 10.188 -19.136 -2.174 1.00 21.51 H new ATOM 0 HB3 LYS A 90 11.877 -19.050 -1.712 1.00 21.51 H new ATOM 0 HG2 LYS A 90 11.935 -16.644 -2.198 1.00 65.11 H new ATOM 0 HG3 LYS A 90 10.294 -16.694 -2.812 1.00 65.11 H new ATOM 0 HD2 LYS A 90 9.420 -17.282 -0.607 1.00 41.03 H new ATOM 0 HD3 LYS A 90 11.039 -17.464 0.038 1.00 41.03 H new ATOM 0 HE2 LYS A 90 11.466 -15.137 -0.009 1.00 61.23 H new ATOM 0 HE3 LYS A 90 10.209 -14.828 -1.191 1.00 61.23 H new ATOM 0 HZ1 LYS A 90 9.545 -14.105 1.005 1.00 15.22 H new ATOM 0 HZ2 LYS A 90 8.541 -15.371 0.482 1.00 15.22 H new ATOM 0 HZ3 LYS A 90 9.759 -15.671 1.627 1.00 15.22 H new ATOM 1484 N THR A 91 12.439 -20.850 -5.055 1.00 12.24 N ATOM 1485 CA THR A 91 13.385 -21.949 -5.282 1.00 54.12 C ATOM 1486 C THR A 91 14.806 -21.392 -5.439 1.00 11.42 C ATOM 1487 O THR A 91 15.130 -20.770 -6.451 1.00 64.14 O ATOM 1488 CB THR A 91 13.023 -22.783 -6.539 1.00 14.52 C ATOM 1489 OG1 THR A 91 11.693 -23.318 -6.414 1.00 62.12 O ATOM 1490 CG2 THR A 91 14.012 -23.929 -6.745 1.00 24.35 C ATOM 0 H THR A 91 11.816 -20.657 -5.839 1.00 12.24 H new ATOM 0 HA THR A 91 13.330 -22.606 -4.414 1.00 54.12 H new ATOM 0 HB THR A 91 13.072 -22.121 -7.403 1.00 14.52 H new ATOM 0 HG1 THR A 91 11.198 -23.161 -7.245 1.00 62.12 H new ATOM 0 HG21 THR A 91 13.733 -24.496 -7.633 1.00 24.35 H new ATOM 0 HG22 THR A 91 15.016 -23.524 -6.874 1.00 24.35 H new ATOM 0 HG23 THR A 91 13.994 -24.586 -5.875 1.00 24.35 H new ATOM 1498 N SER A 92 15.641 -21.595 -4.422 1.00 10.24 N ATOM 1499 CA SER A 92 17.003 -21.039 -4.410 1.00 2.15 C ATOM 1500 C SER A 92 17.846 -21.590 -5.568 1.00 2.01 C ATOM 1501 O SER A 92 18.399 -22.688 -5.484 1.00 12.32 O ATOM 1502 CB SER A 92 17.695 -21.332 -3.069 1.00 43.02 C ATOM 1503 OG SER A 92 16.949 -20.810 -1.977 1.00 34.25 O ATOM 0 H SER A 92 15.403 -22.140 -3.593 1.00 10.24 H new ATOM 0 HA SER A 92 16.917 -19.960 -4.538 1.00 2.15 H new ATOM 0 HB2 SER A 92 17.816 -22.408 -2.948 1.00 43.02 H new ATOM 0 HB3 SER A 92 18.694 -20.897 -3.070 1.00 43.02 H new ATOM 0 HG SER A 92 17.412 -21.013 -1.138 1.00 34.25 H new ATOM 1509 N ALA A 93 17.928 -20.820 -6.647 1.00 51.23 N ATOM 1510 CA ALA A 93 18.654 -21.228 -7.853 1.00 2.03 C ATOM 1511 C ALA A 93 20.166 -21.377 -7.601 1.00 64.31 C ATOM 1512 O ALA A 93 20.845 -20.414 -7.245 1.00 21.14 O ATOM 1513 CB ALA A 93 18.396 -20.224 -8.968 1.00 23.34 C ATOM 0 H ALA A 93 17.496 -19.898 -6.715 1.00 51.23 H new ATOM 0 HA ALA A 93 18.284 -22.210 -8.150 1.00 2.03 H new ATOM 0 HB1 ALA A 93 18.937 -20.529 -9.864 1.00 23.34 H new ATOM 0 HB2 ALA A 93 17.328 -20.186 -9.184 1.00 23.34 H new ATOM 0 HB3 ALA A 93 18.738 -19.237 -8.656 1.00 23.34 H new