USER MOD reduce.3.24.130724 H: found=0, std=0, add=571, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 572 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 30 TYR OH : rot 180:sc= -0.0255 USER MOD Set 2.1: A 11 GLN : amide:sc= 0.437 K(o=0.53,f=-1.8!) USER MOD Set 2.2: A 19 TYR OH : rot 180:sc= 0.098 USER MOD Set 3.1: A 8 LYS NZ :NH3+ -176:sc= -1.24! (180deg=-1.7) USER MOD Set 3.2: A 22 GLN : amide:sc= -0.621 K(o=-1.9,f=-15!) USER MOD Set 4.1: A 4 MET CE :methyl -163:sc= 0 (180deg=0) USER MOD Set 4.2: A 21 SER OG : rot -26:sc= 0.0242 USER MOD Single : A 2 SER OG : rot -25:sc= 0.118 USER MOD Single : A 5 GLN :FLIP amide:sc= -2.54! C(o=-3.3!,f=-2.5!) USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 9 ASN : amide:sc= 0.661 K(o=0.66,f=-0.4) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 HIS : no HD1:sc= -0.0312 X(o=-0.031,f=-0.031) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -0.435 K(o=-0.43,f=-1.8) USER MOD Single : A 34 THR OG1 : rot 81:sc= 0.582 USER MOD Single : A 35 THR OG1 : rot 64:sc= 0.939 USER MOD Single : A 36 LYS NZ :NH3+ -120:sc= 1.99 (180deg=-1.12) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.446 USER MOD Single : A 43 TYR OH : rot -23:sc= -1.34 USER MOD Single : A 44 TYR OH : rot -168:sc= 0.165 USER MOD Single : A 72 LYS NZ :NH3+ 165:sc= -0.0189 (180deg=-0.225) 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 : +bothHN:sc= -3.79 K(o=-3.8,f=-7.1!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 CYS SG : rot -13:sc= 0.52! USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 1.22 (180deg=1.22) 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 -6.624 -7.844 0.232 1.00 55.32 N ATOM 21 CA SER A 2 -6.176 -8.570 -0.966 1.00 12.10 C ATOM 22 C SER A 2 -5.775 -7.621 -2.110 1.00 24.24 C ATOM 23 O SER A 2 -5.915 -7.966 -3.279 1.00 23.40 O ATOM 24 CB SER A 2 -7.297 -9.506 -1.441 1.00 24.23 C ATOM 25 OG SER A 2 -8.503 -8.788 -1.657 1.00 52.45 O ATOM 0 HA SER A 2 -5.290 -9.143 -0.694 1.00 12.10 H new ATOM 0 HB2 SER A 2 -6.995 -10.002 -2.363 1.00 24.23 H new ATOM 0 HB3 SER A 2 -7.463 -10.287 -0.699 1.00 24.23 H new ATOM 0 HG SER A 2 -8.502 -7.975 -1.110 1.00 52.45 H new ATOM 31 N TRP A 3 -5.230 -6.448 -1.773 1.00 13.14 N ATOM 32 CA TRP A 3 -4.855 -5.442 -2.785 1.00 14.34 C ATOM 33 C TRP A 3 -3.961 -6.036 -3.892 1.00 64.40 C ATOM 34 O TRP A 3 -4.226 -5.853 -5.084 1.00 61.45 O ATOM 35 CB TRP A 3 -4.149 -4.251 -2.119 1.00 35.14 C ATOM 36 CG TRP A 3 -4.980 -3.575 -1.063 1.00 43.22 C ATOM 37 CD1 TRP A 3 -4.635 -3.364 0.242 1.00 25.31 C ATOM 38 CD2 TRP A 3 -6.300 -3.035 -1.223 1.00 24.14 C ATOM 39 NE1 TRP A 3 -5.655 -2.719 0.899 1.00 44.10 N ATOM 40 CE2 TRP A 3 -6.688 -2.510 0.026 1.00 12.10 C ATOM 41 CE3 TRP A 3 -7.194 -2.945 -2.297 1.00 54.13 C ATOM 42 CZ2 TRP A 3 -7.924 -1.902 0.227 1.00 41.13 C ATOM 43 CZ3 TRP A 3 -8.421 -2.341 -2.094 1.00 13.41 C ATOM 44 CH2 TRP A 3 -8.776 -1.828 -0.839 1.00 24.04 C ATOM 0 H TRP A 3 -5.037 -6.167 -0.812 1.00 13.14 H new ATOM 0 HA TRP A 3 -5.776 -5.099 -3.256 1.00 14.34 H new ATOM 0 HB2 TRP A 3 -3.217 -4.595 -1.671 1.00 35.14 H new ATOM 0 HB3 TRP A 3 -3.884 -3.521 -2.884 1.00 35.14 H new ATOM 0 HD1 TRP A 3 -3.699 -3.660 0.691 1.00 25.31 H new ATOM 0 HE1 TRP A 3 -5.644 -2.441 1.880 1.00 44.10 H new ATOM 0 HE3 TRP A 3 -6.930 -3.340 -3.267 1.00 54.13 H new ATOM 0 HZ2 TRP A 3 -8.200 -1.503 1.192 1.00 41.13 H new ATOM 0 HZ3 TRP A 3 -9.117 -2.263 -2.916 1.00 13.41 H new ATOM 0 HH2 TRP A 3 -9.743 -1.364 -0.712 1.00 24.04 H new ATOM 55 N MET A 4 -2.917 -6.759 -3.493 1.00 61.21 N ATOM 56 CA MET A 4 -2.023 -7.425 -4.452 1.00 61.31 C ATOM 57 C MET A 4 -2.810 -8.338 -5.408 1.00 32.33 C ATOM 58 O MET A 4 -2.548 -8.372 -6.611 1.00 41.22 O ATOM 59 CB MET A 4 -0.958 -8.239 -3.705 1.00 20.00 C ATOM 60 CG MET A 4 -0.041 -7.389 -2.839 1.00 31.52 C ATOM 61 SD MET A 4 0.913 -6.200 -3.803 1.00 54.32 S ATOM 62 CE MET A 4 1.821 -5.361 -2.504 1.00 43.13 C ATOM 0 H MET A 4 -2.665 -6.902 -2.515 1.00 61.21 H new ATOM 0 HA MET A 4 -1.534 -6.654 -5.047 1.00 61.31 H new ATOM 0 HB2 MET A 4 -1.453 -8.980 -3.078 1.00 20.00 H new ATOM 0 HB3 MET A 4 -0.356 -8.786 -4.430 1.00 20.00 H new ATOM 0 HG2 MET A 4 -0.637 -6.856 -2.098 1.00 31.52 H new ATOM 0 HG3 MET A 4 0.642 -8.039 -2.291 1.00 31.52 H new ATOM 0 HE1 MET A 4 2.216 -4.420 -2.886 1.00 43.13 H new ATOM 0 HE2 MET A 4 1.155 -5.161 -1.665 1.00 43.13 H new ATOM 0 HE3 MET A 4 2.645 -5.992 -2.171 1.00 43.13 H new ATOM 72 N GLN A 5 -3.779 -9.072 -4.859 1.00 24.32 N ATOM 73 CA GLN A 5 -4.652 -9.939 -5.661 1.00 40.25 C ATOM 74 C GLN A 5 -5.639 -9.117 -6.511 1.00 13.00 C ATOM 75 O GLN A 5 -5.991 -9.512 -7.618 1.00 10.44 O ATOM 76 CB GLN A 5 -5.415 -10.910 -4.749 1.00 1.13 C ATOM 77 CG GLN A 5 -4.507 -11.804 -3.908 1.00 61.14 C ATOM 78 CD GLN A 5 -3.568 -12.655 -4.750 1.00 14.21 C ATOM 79 OE1 GLN A 5 -4.012 -13.841 -5.109 1.00 22.43 O flip ATOM 80 NE2 GLN A 5 -2.451 -12.253 -5.068 1.00 62.52 N flip ATOM 0 H GLN A 5 -3.982 -9.085 -3.859 1.00 24.32 H new ATOM 0 HA GLN A 5 -4.022 -10.509 -6.343 1.00 40.25 H new ATOM 0 HB2 GLN A 5 -6.063 -10.338 -4.085 1.00 1.13 H new ATOM 0 HB3 GLN A 5 -6.062 -11.538 -5.362 1.00 1.13 H new ATOM 0 HG2 GLN A 5 -3.919 -11.183 -3.233 1.00 61.14 H new ATOM 0 HG3 GLN A 5 -5.122 -12.456 -3.287 1.00 61.14 H new ATOM 0 HE21 GLN A 5 -2.139 -11.328 -4.773 1.00 62.52 H new ATOM 0 HE22 GLN A 5 -1.836 -12.844 -5.627 1.00 62.52 H new ATOM 89 N ASN A 6 -6.068 -7.966 -5.995 1.00 21.14 N ATOM 90 CA ASN A 6 -6.948 -7.054 -6.740 1.00 33.52 C ATOM 91 C ASN A 6 -6.305 -6.665 -8.083 1.00 64.03 C ATOM 92 O ASN A 6 -6.990 -6.475 -9.090 1.00 40.41 O ATOM 93 CB ASN A 6 -7.235 -5.803 -5.894 1.00 64.43 C ATOM 94 CG ASN A 6 -8.158 -4.813 -6.581 1.00 0.15 C ATOM 95 OD1 ASN A 6 -9.034 -5.185 -7.353 1.00 71.44 O ATOM 96 ND2 ASN A 6 -7.970 -3.539 -6.302 1.00 34.13 N ATOM 0 H ASN A 6 -5.822 -7.638 -5.061 1.00 21.14 H new ATOM 0 HA ASN A 6 -7.890 -7.561 -6.949 1.00 33.52 H new ATOM 0 HB2 ASN A 6 -7.680 -6.108 -4.947 1.00 64.43 H new ATOM 0 HB3 ASN A 6 -6.293 -5.308 -5.659 1.00 64.43 H new ATOM 0 HD21 ASN A 6 -8.563 -2.830 -6.733 1.00 34.13 H new ATOM 0 HD22 ASN A 6 -7.232 -3.262 -5.655 1.00 34.13 H new ATOM 103 N LEU A 7 -4.982 -6.541 -8.082 1.00 24.34 N ATOM 104 CA LEU A 7 -4.228 -6.328 -9.320 1.00 65.31 C ATOM 105 C LEU A 7 -3.929 -7.663 -10.030 1.00 70.12 C ATOM 106 O LEU A 7 -4.083 -7.771 -11.245 1.00 3.34 O ATOM 107 CB LEU A 7 -2.916 -5.574 -9.042 1.00 71.42 C ATOM 108 CG LEU A 7 -3.052 -4.078 -8.688 1.00 72.40 C ATOM 109 CD1 LEU A 7 -3.803 -3.324 -9.784 1.00 34.43 C ATOM 110 CD2 LEU A 7 -3.735 -3.883 -7.335 1.00 12.32 C ATOM 0 H LEU A 7 -4.407 -6.584 -7.241 1.00 24.34 H new ATOM 0 HA LEU A 7 -4.848 -5.720 -9.979 1.00 65.31 H new ATOM 0 HB2 LEU A 7 -2.400 -6.074 -8.223 1.00 71.42 H new ATOM 0 HB3 LEU A 7 -2.278 -5.661 -9.921 1.00 71.42 H new ATOM 0 HG LEU A 7 -2.046 -3.666 -8.615 1.00 72.40 H new ATOM 0 HD11 LEU A 7 -3.886 -2.272 -9.511 1.00 34.43 H new ATOM 0 HD12 LEU A 7 -3.260 -3.413 -10.725 1.00 34.43 H new ATOM 0 HD13 LEU A 7 -4.800 -3.748 -9.900 1.00 34.43 H new ATOM 0 HD21 LEU A 7 -3.814 -2.818 -7.118 1.00 12.32 H new ATOM 0 HD22 LEU A 7 -4.732 -4.323 -7.364 1.00 12.32 H new ATOM 0 HD23 LEU A 7 -3.147 -4.369 -6.557 1.00 12.32 H new ATOM 122 N LYS A 8 -3.525 -8.679 -9.260 1.00 1.01 N ATOM 123 CA LYS A 8 -3.141 -9.989 -9.818 1.00 74.23 C ATOM 124 C LYS A 8 -4.288 -10.681 -10.584 1.00 13.05 C ATOM 125 O LYS A 8 -4.123 -11.077 -11.740 1.00 63.35 O ATOM 126 CB LYS A 8 -2.601 -10.907 -8.708 1.00 40.12 C ATOM 127 CG LYS A 8 -2.371 -12.354 -9.146 1.00 3.03 C ATOM 128 CD LYS A 8 -1.386 -13.088 -8.232 1.00 33.24 C ATOM 129 CE LYS A 8 0.067 -12.873 -8.661 1.00 63.20 C ATOM 130 NZ LYS A 8 0.483 -11.446 -8.596 1.00 71.22 N ATOM 0 H LYS A 8 -3.454 -8.623 -8.244 1.00 1.01 H new ATOM 0 HA LYS A 8 -2.353 -9.800 -10.547 1.00 74.23 H new ATOM 0 HB2 LYS A 8 -1.661 -10.497 -8.339 1.00 40.12 H new ATOM 0 HB3 LYS A 8 -3.302 -10.899 -7.873 1.00 40.12 H new ATOM 0 HG2 LYS A 8 -3.323 -12.885 -9.152 1.00 3.03 H new ATOM 0 HG3 LYS A 8 -1.993 -12.366 -10.168 1.00 3.03 H new ATOM 0 HD2 LYS A 8 -1.516 -12.741 -7.207 1.00 33.24 H new ATOM 0 HD3 LYS A 8 -1.612 -14.154 -8.239 1.00 33.24 H new ATOM 0 HE2 LYS A 8 0.721 -13.467 -8.022 1.00 63.20 H new ATOM 0 HE3 LYS A 8 0.198 -13.239 -9.679 1.00 63.20 H new ATOM 0 HZ1 LYS A 8 1.452 -11.350 -8.961 1.00 71.22 H new ATOM 0 HZ2 LYS A 8 -0.163 -10.870 -9.172 1.00 71.22 H new ATOM 0 HZ3 LYS A 8 0.451 -11.120 -7.609 1.00 71.22 H new ATOM 144 N ASN A 9 -5.450 -10.824 -9.952 1.00 51.22 N ATOM 145 CA ASN A 9 -6.620 -11.427 -10.614 1.00 25.40 C ATOM 146 C ASN A 9 -7.047 -10.628 -11.858 1.00 3.12 C ATOM 147 O ASN A 9 -7.816 -11.116 -12.690 1.00 44.24 O ATOM 148 CB ASN A 9 -7.795 -11.538 -9.637 1.00 43.44 C ATOM 149 CG ASN A 9 -7.509 -12.505 -8.503 1.00 31.20 C ATOM 150 OD1 ASN A 9 -7.026 -12.121 -7.444 1.00 13.15 O ATOM 151 ND2 ASN A 9 -7.796 -13.770 -8.719 1.00 45.22 N ATOM 0 H ASN A 9 -5.614 -10.535 -8.988 1.00 51.22 H new ATOM 0 HA ASN A 9 -6.328 -12.426 -10.939 1.00 25.40 H new ATOM 0 HB2 ASN A 9 -8.017 -10.553 -9.225 1.00 43.44 H new ATOM 0 HB3 ASN A 9 -8.684 -11.866 -10.176 1.00 43.44 H new ATOM 0 HD21 ASN A 9 -7.617 -14.465 -7.994 1.00 45.22 H new ATOM 0 HD22 ASN A 9 -8.197 -14.057 -9.612 1.00 45.22 H new ATOM 158 N TYR A 10 -6.537 -9.403 -11.977 1.00 54.24 N ATOM 159 CA TYR A 10 -6.851 -8.526 -13.109 1.00 65.12 C ATOM 160 C TYR A 10 -5.586 -8.142 -13.904 1.00 70.20 C ATOM 161 O TYR A 10 -5.604 -7.177 -14.668 1.00 41.32 O ATOM 162 CB TYR A 10 -7.560 -7.257 -12.610 1.00 34.32 C ATOM 163 CG TYR A 10 -8.942 -7.504 -12.032 1.00 50.32 C ATOM 164 CD1 TYR A 10 -9.107 -7.953 -10.725 1.00 51.44 C ATOM 165 CD2 TYR A 10 -10.083 -7.279 -12.794 1.00 75.13 C ATOM 166 CE1 TYR A 10 -10.365 -8.174 -10.198 1.00 41.45 C ATOM 167 CE2 TYR A 10 -11.344 -7.498 -12.273 1.00 33.42 C ATOM 168 CZ TYR A 10 -11.479 -7.943 -10.975 1.00 33.23 C ATOM 169 OH TYR A 10 -12.735 -8.158 -10.452 1.00 73.23 O ATOM 0 H TYR A 10 -5.898 -8.990 -11.297 1.00 54.24 H new ATOM 0 HA TYR A 10 -7.512 -9.075 -13.780 1.00 65.12 H new ATOM 0 HB2 TYR A 10 -6.940 -6.783 -11.850 1.00 34.32 H new ATOM 0 HB3 TYR A 10 -7.645 -6.552 -13.437 1.00 34.32 H new ATOM 0 HD1 TYR A 10 -8.236 -8.132 -10.112 1.00 51.44 H new ATOM 0 HD2 TYR A 10 -9.982 -6.927 -13.810 1.00 75.13 H new ATOM 0 HE1 TYR A 10 -10.474 -8.526 -9.183 1.00 41.45 H new ATOM 0 HE2 TYR A 10 -12.220 -7.321 -12.880 1.00 33.42 H new ATOM 0 HH TYR A 10 -13.412 -7.947 -11.129 1.00 73.23 H new ATOM 179 N GLN A 11 -4.498 -8.910 -13.736 1.00 31.44 N ATOM 180 CA GLN A 11 -3.228 -8.657 -14.456 1.00 31.12 C ATOM 181 C GLN A 11 -3.444 -8.417 -15.956 1.00 51.14 C ATOM 182 O GLN A 11 -2.734 -7.629 -16.579 1.00 43.42 O ATOM 183 CB GLN A 11 -2.261 -9.839 -14.281 1.00 71.34 C ATOM 184 CG GLN A 11 -1.574 -9.888 -12.924 1.00 34.25 C ATOM 185 CD GLN A 11 -0.717 -11.129 -12.749 1.00 15.01 C ATOM 186 OE1 GLN A 11 -1.168 -12.155 -12.251 1.00 3.12 O ATOM 187 NE2 GLN A 11 0.521 -11.049 -13.173 1.00 70.33 N ATOM 0 H GLN A 11 -4.467 -9.713 -13.108 1.00 31.44 H new ATOM 0 HA GLN A 11 -2.802 -7.753 -14.020 1.00 31.12 H new ATOM 0 HB2 GLN A 11 -2.810 -10.768 -14.431 1.00 71.34 H new ATOM 0 HB3 GLN A 11 -1.500 -9.789 -15.059 1.00 71.34 H new ATOM 0 HG2 GLN A 11 -0.952 -9.001 -12.803 1.00 34.25 H new ATOM 0 HG3 GLN A 11 -2.328 -9.858 -12.138 1.00 34.25 H new ATOM 0 HE21 GLN A 11 0.865 -10.180 -13.582 1.00 70.33 H new ATOM 0 HE22 GLN A 11 1.140 -11.855 -13.093 1.00 70.33 H new ATOM 196 N HIS A 12 -4.437 -9.094 -16.524 1.00 33.14 N ATOM 197 CA HIS A 12 -4.703 -9.016 -17.963 1.00 24.41 C ATOM 198 C HIS A 12 -5.074 -7.581 -18.402 1.00 53.33 C ATOM 199 O HIS A 12 -4.926 -7.229 -19.571 1.00 74.42 O ATOM 200 CB HIS A 12 -5.827 -9.992 -18.344 1.00 22.30 C ATOM 201 CG HIS A 12 -5.625 -11.391 -17.830 1.00 43.14 C ATOM 202 ND1 HIS A 12 -6.667 -12.192 -17.420 1.00 0.42 N ATOM 203 CD2 HIS A 12 -4.500 -12.130 -17.656 1.00 64.02 C ATOM 204 CE1 HIS A 12 -6.199 -13.354 -17.015 1.00 3.03 C ATOM 205 NE2 HIS A 12 -4.889 -13.346 -17.147 1.00 73.24 N ATOM 0 H HIS A 12 -5.074 -9.705 -16.012 1.00 33.14 H new ATOM 0 HA HIS A 12 -3.787 -9.294 -18.485 1.00 24.41 H new ATOM 0 HB2 HIS A 12 -6.772 -9.608 -17.960 1.00 22.30 H new ATOM 0 HB3 HIS A 12 -5.913 -10.024 -19.430 1.00 22.30 H new ATOM 0 HD2 HIS A 12 -3.489 -11.821 -17.876 1.00 64.02 H new ATOM 0 HE1 HIS A 12 -6.790 -14.175 -16.638 1.00 3.03 H new ATOM 0 HE2 HIS A 12 -4.264 -14.117 -16.910 1.00 73.24 H new ATOM 214 N LEU A 13 -5.558 -6.762 -17.456 1.00 52.35 N ATOM 215 CA LEU A 13 -5.998 -5.385 -17.759 1.00 70.10 C ATOM 216 C LEU A 13 -5.246 -4.321 -16.924 1.00 55.20 C ATOM 217 O LEU A 13 -5.398 -3.119 -17.167 1.00 13.34 O ATOM 218 CB LEU A 13 -7.514 -5.220 -17.505 1.00 32.23 C ATOM 219 CG LEU A 13 -8.465 -6.084 -18.361 1.00 22.21 C ATOM 220 CD1 LEU A 13 -8.112 -5.993 -19.845 1.00 15.23 C ATOM 221 CD2 LEU A 13 -8.480 -7.536 -17.880 1.00 74.42 C ATOM 0 H LEU A 13 -5.656 -7.026 -16.476 1.00 52.35 H new ATOM 0 HA LEU A 13 -5.770 -5.225 -18.813 1.00 70.10 H new ATOM 0 HB2 LEU A 13 -7.708 -5.441 -16.455 1.00 32.23 H new ATOM 0 HB3 LEU A 13 -7.772 -4.173 -17.663 1.00 32.23 H new ATOM 0 HG LEU A 13 -9.473 -5.687 -18.238 1.00 22.21 H new ATOM 0 HD11 LEU A 13 -8.800 -6.612 -20.421 1.00 15.23 H new ATOM 0 HD12 LEU A 13 -8.193 -4.957 -20.175 1.00 15.23 H new ATOM 0 HD13 LEU A 13 -7.092 -6.344 -19.999 1.00 15.23 H new ATOM 0 HD21 LEU A 13 -9.159 -8.119 -18.503 1.00 74.42 H new ATOM 0 HD22 LEU A 13 -7.475 -7.953 -17.950 1.00 74.42 H new ATOM 0 HD23 LEU A 13 -8.817 -7.573 -16.844 1.00 74.42 H new ATOM 233 N ARG A 14 -4.453 -4.748 -15.940 1.00 42.24 N ATOM 234 CA ARG A 14 -3.823 -3.806 -14.992 1.00 11.35 C ATOM 235 C ARG A 14 -2.375 -3.436 -15.370 1.00 55.00 C ATOM 236 O ARG A 14 -1.833 -3.894 -16.378 1.00 42.34 O ATOM 237 CB ARG A 14 -3.860 -4.379 -13.565 1.00 24.33 C ATOM 238 CG ARG A 14 -5.269 -4.547 -12.998 1.00 43.24 C ATOM 239 CD ARG A 14 -6.056 -3.238 -13.008 1.00 61.53 C ATOM 240 NE ARG A 14 -7.367 -3.384 -12.372 1.00 3.22 N ATOM 241 CZ ARG A 14 -8.448 -2.751 -12.744 1.00 24.12 C ATOM 242 NH1 ARG A 14 -8.434 -1.953 -13.766 1.00 23.15 N ATOM 243 NH2 ARG A 14 -9.550 -2.930 -12.090 1.00 54.24 N ATOM 0 H ARG A 14 -4.229 -5.729 -15.773 1.00 42.24 H new ATOM 0 HA ARG A 14 -4.407 -2.887 -15.041 1.00 11.35 H new ATOM 0 HB2 ARG A 14 -3.360 -5.348 -13.561 1.00 24.33 H new ATOM 0 HB3 ARG A 14 -3.290 -3.723 -12.906 1.00 24.33 H new ATOM 0 HG2 ARG A 14 -5.806 -5.296 -13.580 1.00 43.24 H new ATOM 0 HG3 ARG A 14 -5.205 -4.923 -11.977 1.00 43.24 H new ATOM 0 HD2 ARG A 14 -5.485 -2.467 -12.490 1.00 61.53 H new ATOM 0 HD3 ARG A 14 -6.187 -2.901 -14.036 1.00 61.53 H new ATOM 0 HE ARG A 14 -7.442 -4.025 -11.582 1.00 3.22 H new ATOM 0 HH11 ARG A 14 -7.571 -1.813 -14.292 1.00 23.15 H new ATOM 0 HH12 ARG A 14 -9.286 -1.466 -14.044 1.00 23.15 H new ATOM 0 HH21 ARG A 14 -9.571 -3.562 -11.290 1.00 54.24 H new ATOM 0 HH22 ARG A 14 -10.398 -2.439 -12.375 1.00 54.24 H new ATOM 257 N ASP A 15 -1.764 -2.593 -14.531 1.00 60.15 N ATOM 258 CA ASP A 15 -0.403 -2.083 -14.755 1.00 32.51 C ATOM 259 C ASP A 15 0.678 -3.009 -14.159 1.00 23.24 C ATOM 260 O ASP A 15 0.396 -3.832 -13.288 1.00 15.34 O ATOM 261 CB ASP A 15 -0.277 -0.689 -14.126 1.00 72.40 C ATOM 262 CG ASP A 15 -1.227 0.312 -14.749 1.00 10.13 C ATOM 263 OD1 ASP A 15 -0.839 0.968 -15.739 1.00 22.41 O ATOM 264 OD2 ASP A 15 -2.363 0.450 -14.248 1.00 20.44 O ATOM 0 H ASP A 15 -2.198 -2.244 -13.676 1.00 60.15 H new ATOM 0 HA ASP A 15 -0.241 -2.039 -15.832 1.00 32.51 H new ATOM 0 HB2 ASP A 15 -0.475 -0.757 -13.056 1.00 72.40 H new ATOM 0 HB3 ASP A 15 0.747 -0.333 -14.239 1.00 72.40 H new ATOM 269 N PRO A 16 1.950 -2.854 -14.602 1.00 54.10 N ATOM 270 CA PRO A 16 3.091 -3.637 -14.072 1.00 62.13 C ATOM 271 C PRO A 16 3.464 -3.296 -12.614 1.00 32.14 C ATOM 272 O PRO A 16 4.500 -3.738 -12.112 1.00 52.31 O ATOM 273 CB PRO A 16 4.246 -3.254 -15.012 1.00 71.13 C ATOM 274 CG PRO A 16 3.875 -1.909 -15.535 1.00 12.22 C ATOM 275 CD PRO A 16 2.377 -1.931 -15.677 1.00 23.24 C ATOM 0 HA PRO A 16 2.854 -4.701 -14.046 1.00 62.13 H new ATOM 0 HB2 PRO A 16 5.197 -3.224 -14.480 1.00 71.13 H new ATOM 0 HB3 PRO A 16 4.356 -3.977 -15.820 1.00 71.13 H new ATOM 0 HG2 PRO A 16 4.193 -1.121 -14.852 1.00 12.22 H new ATOM 0 HG3 PRO A 16 4.357 -1.714 -16.493 1.00 12.22 H new ATOM 0 HD2 PRO A 16 1.946 -0.938 -15.550 1.00 23.24 H new ATOM 0 HD3 PRO A 16 2.071 -2.288 -16.660 1.00 23.24 H new ATOM 283 N SER A 17 2.618 -2.519 -11.939 1.00 35.31 N ATOM 284 CA SER A 17 2.878 -2.102 -10.554 1.00 3.43 C ATOM 285 C SER A 17 2.945 -3.305 -9.605 1.00 52.54 C ATOM 286 O SER A 17 3.863 -3.413 -8.789 1.00 55.23 O ATOM 287 CB SER A 17 1.797 -1.127 -10.070 1.00 24.30 C ATOM 288 OG SER A 17 2.006 -0.759 -8.713 1.00 71.53 O ATOM 0 H SER A 17 1.744 -2.163 -12.326 1.00 35.31 H new ATOM 0 HA SER A 17 3.847 -1.602 -10.545 1.00 3.43 H new ATOM 0 HB2 SER A 17 1.802 -0.235 -10.696 1.00 24.30 H new ATOM 0 HB3 SER A 17 0.815 -1.587 -10.178 1.00 24.30 H new ATOM 0 HG SER A 17 1.304 -0.136 -8.431 1.00 71.53 H new ATOM 294 N GLU A 18 1.979 -4.219 -9.726 1.00 52.33 N ATOM 295 CA GLU A 18 1.930 -5.393 -8.851 1.00 53.32 C ATOM 296 C GLU A 18 3.169 -6.285 -9.063 1.00 72.42 C ATOM 297 O GLU A 18 3.726 -6.823 -8.105 1.00 1.54 O ATOM 298 CB GLU A 18 0.615 -6.178 -9.059 1.00 32.23 C ATOM 299 CG GLU A 18 0.495 -6.932 -10.387 1.00 0.41 C ATOM 300 CD GLU A 18 0.834 -8.412 -10.255 1.00 15.13 C ATOM 301 OE1 GLU A 18 0.045 -9.148 -9.627 1.00 21.43 O ATOM 302 OE2 GLU A 18 1.889 -8.840 -10.756 1.00 32.41 O ATOM 0 H GLU A 18 1.227 -4.170 -10.414 1.00 52.33 H new ATOM 0 HA GLU A 18 1.946 -5.053 -7.815 1.00 53.32 H new ATOM 0 HB2 GLU A 18 0.508 -6.894 -8.245 1.00 32.23 H new ATOM 0 HB3 GLU A 18 -0.219 -5.481 -8.981 1.00 32.23 H new ATOM 0 HG2 GLU A 18 -0.521 -6.829 -10.768 1.00 0.41 H new ATOM 0 HG3 GLU A 18 1.159 -6.475 -11.121 1.00 0.41 H new ATOM 309 N TYR A 19 3.603 -6.417 -10.319 1.00 0.33 N ATOM 310 CA TYR A 19 4.861 -7.109 -10.643 1.00 53.34 C ATOM 311 C TYR A 19 6.032 -6.461 -9.889 1.00 65.34 C ATOM 312 O TYR A 19 6.792 -7.126 -9.182 1.00 14.44 O ATOM 313 CB TYR A 19 5.150 -7.048 -12.158 1.00 13.12 C ATOM 314 CG TYR A 19 4.072 -7.651 -13.040 1.00 34.43 C ATOM 315 CD1 TYR A 19 2.862 -6.997 -13.240 1.00 43.24 C ATOM 316 CD2 TYR A 19 4.274 -8.866 -13.690 1.00 41.23 C ATOM 317 CE1 TYR A 19 1.884 -7.535 -14.051 1.00 22.42 C ATOM 318 CE2 TYR A 19 3.299 -9.409 -14.503 1.00 21.44 C ATOM 319 CZ TYR A 19 2.108 -8.739 -14.680 1.00 15.31 C ATOM 320 OH TYR A 19 1.132 -9.278 -15.485 1.00 73.34 O ATOM 0 H TYR A 19 3.104 -6.055 -11.131 1.00 0.33 H new ATOM 0 HA TYR A 19 4.755 -8.151 -10.340 1.00 53.34 H new ATOM 0 HB2 TYR A 19 5.292 -6.006 -12.444 1.00 13.12 H new ATOM 0 HB3 TYR A 19 6.090 -7.563 -12.355 1.00 13.12 H new ATOM 0 HD1 TYR A 19 2.684 -6.050 -12.752 1.00 43.24 H new ATOM 0 HD2 TYR A 19 5.208 -9.392 -13.556 1.00 41.23 H new ATOM 0 HE1 TYR A 19 0.948 -7.015 -14.192 1.00 22.42 H new ATOM 0 HE2 TYR A 19 3.469 -10.354 -14.998 1.00 21.44 H new ATOM 0 HH TYR A 19 1.446 -10.129 -15.855 1.00 73.34 H new ATOM 330 N MET A 20 6.143 -5.143 -10.038 1.00 1.21 N ATOM 331 CA MET A 20 7.212 -4.351 -9.417 1.00 5.50 C ATOM 332 C MET A 20 7.251 -4.519 -7.885 1.00 12.21 C ATOM 333 O MET A 20 8.315 -4.447 -7.272 1.00 31.31 O ATOM 334 CB MET A 20 7.014 -2.873 -9.791 1.00 2.03 C ATOM 335 CG MET A 20 8.080 -1.927 -9.252 1.00 20.21 C ATOM 336 SD MET A 20 7.840 -0.228 -9.813 1.00 23.44 S ATOM 337 CE MET A 20 9.206 0.608 -9.007 1.00 23.41 C ATOM 0 H MET A 20 5.493 -4.588 -10.595 1.00 1.21 H new ATOM 0 HA MET A 20 8.169 -4.711 -9.794 1.00 5.50 H new ATOM 0 HB2 MET A 20 6.989 -2.788 -10.877 1.00 2.03 H new ATOM 0 HB3 MET A 20 6.041 -2.548 -9.424 1.00 2.03 H new ATOM 0 HG2 MET A 20 8.067 -1.952 -8.162 1.00 20.21 H new ATOM 0 HG3 MET A 20 9.064 -2.275 -9.567 1.00 20.21 H new ATOM 0 HE1 MET A 20 9.186 1.667 -9.262 1.00 23.41 H new ATOM 0 HE2 MET A 20 9.116 0.493 -7.927 1.00 23.41 H new ATOM 0 HE3 MET A 20 10.147 0.172 -9.341 1.00 23.41 H new ATOM 347 N SER A 21 6.088 -4.745 -7.275 1.00 13.13 N ATOM 348 CA SER A 21 5.999 -4.881 -5.811 1.00 10.32 C ATOM 349 C SER A 21 6.189 -6.332 -5.336 1.00 32.03 C ATOM 350 O SER A 21 6.532 -6.566 -4.177 1.00 3.03 O ATOM 351 CB SER A 21 4.650 -4.357 -5.302 1.00 3.31 C ATOM 352 OG SER A 21 4.582 -4.415 -3.883 1.00 43.50 O ATOM 0 H SER A 21 5.197 -4.838 -7.763 1.00 13.13 H new ATOM 0 HA SER A 21 6.813 -4.285 -5.398 1.00 10.32 H new ATOM 0 HB2 SER A 21 4.507 -3.329 -5.635 1.00 3.31 H new ATOM 0 HB3 SER A 21 3.841 -4.947 -5.733 1.00 3.31 H new ATOM 0 HG SER A 21 5.181 -5.118 -3.555 1.00 43.50 H new ATOM 358 N GLN A 22 5.944 -7.303 -6.213 1.00 52.13 N ATOM 359 CA GLN A 22 6.025 -8.724 -5.836 1.00 24.40 C ATOM 360 C GLN A 22 7.369 -9.368 -6.230 1.00 74.15 C ATOM 361 O GLN A 22 7.682 -10.477 -5.793 1.00 32.43 O ATOM 362 CB GLN A 22 4.839 -9.487 -6.444 1.00 3.35 C ATOM 363 CG GLN A 22 3.512 -9.165 -5.755 1.00 22.21 C ATOM 364 CD GLN A 22 2.293 -9.592 -6.554 1.00 63.11 C ATOM 365 OE1 GLN A 22 1.796 -10.704 -6.426 1.00 2.23 O ATOM 366 NE2 GLN A 22 1.791 -8.702 -7.375 1.00 30.14 N ATOM 0 H GLN A 22 5.688 -7.139 -7.187 1.00 52.13 H new ATOM 0 HA GLN A 22 5.972 -8.784 -4.749 1.00 24.40 H new ATOM 0 HB2 GLN A 22 4.761 -9.244 -7.504 1.00 3.35 H new ATOM 0 HB3 GLN A 22 5.028 -10.558 -6.375 1.00 3.35 H new ATOM 0 HG2 GLN A 22 3.489 -9.656 -4.782 1.00 22.21 H new ATOM 0 HG3 GLN A 22 3.458 -8.092 -5.572 1.00 22.21 H new ATOM 0 HE21 GLN A 22 2.227 -7.784 -7.460 1.00 30.14 H new ATOM 0 HE22 GLN A 22 0.964 -8.928 -7.928 1.00 30.14 H new ATOM 375 N VAL A 23 8.161 -8.677 -7.048 1.00 33.53 N ATOM 376 CA VAL A 23 9.523 -9.128 -7.364 1.00 24.10 C ATOM 377 C VAL A 23 10.486 -7.932 -7.518 1.00 44.52 C ATOM 378 O VAL A 23 10.695 -7.400 -8.611 1.00 42.14 O ATOM 379 CB VAL A 23 9.558 -10.043 -8.627 1.00 31.04 C ATOM 380 CG1 VAL A 23 8.949 -9.349 -9.847 1.00 13.52 C ATOM 381 CG2 VAL A 23 10.984 -10.517 -8.921 1.00 12.02 C ATOM 0 H VAL A 23 7.889 -7.806 -7.504 1.00 33.53 H new ATOM 0 HA VAL A 23 9.864 -9.729 -6.521 1.00 24.10 H new ATOM 0 HB VAL A 23 8.946 -10.919 -8.412 1.00 31.04 H new ATOM 0 HG11 VAL A 23 8.992 -10.019 -10.706 1.00 13.52 H new ATOM 0 HG12 VAL A 23 7.910 -9.092 -9.639 1.00 13.52 H new ATOM 0 HG13 VAL A 23 9.510 -8.441 -10.067 1.00 13.52 H new ATOM 0 HG21 VAL A 23 10.981 -11.153 -9.806 1.00 12.02 H new ATOM 0 HG22 VAL A 23 11.625 -9.653 -9.097 1.00 12.02 H new ATOM 0 HG23 VAL A 23 11.362 -11.082 -8.069 1.00 12.02 H new ATOM 391 N TYR A 24 11.064 -7.501 -6.400 1.00 2.23 N ATOM 392 CA TYR A 24 11.948 -6.334 -6.389 1.00 42.41 C ATOM 393 C TYR A 24 13.416 -6.735 -6.617 1.00 3.04 C ATOM 394 O TYR A 24 14.156 -7.031 -5.676 1.00 73.22 O ATOM 395 CB TYR A 24 11.789 -5.563 -5.069 1.00 71.10 C ATOM 396 CG TYR A 24 12.635 -4.305 -4.974 1.00 55.24 C ATOM 397 CD1 TYR A 24 12.216 -3.117 -5.560 1.00 42.22 C ATOM 398 CD2 TYR A 24 13.850 -4.305 -4.296 1.00 33.32 C ATOM 399 CE1 TYR A 24 12.981 -1.970 -5.474 1.00 72.51 C ATOM 400 CE2 TYR A 24 14.619 -3.163 -4.206 1.00 64.15 C ATOM 401 CZ TYR A 24 14.180 -1.998 -4.796 1.00 60.11 C ATOM 402 OH TYR A 24 14.943 -0.857 -4.710 1.00 4.33 O ATOM 0 H TYR A 24 10.937 -7.941 -5.489 1.00 2.23 H new ATOM 0 HA TYR A 24 11.659 -5.682 -7.213 1.00 42.41 H new ATOM 0 HB2 TYR A 24 10.741 -5.292 -4.944 1.00 71.10 H new ATOM 0 HB3 TYR A 24 12.048 -6.224 -4.242 1.00 71.10 H new ATOM 0 HD1 TYR A 24 11.276 -3.090 -6.092 1.00 42.22 H new ATOM 0 HD2 TYR A 24 14.198 -5.216 -3.832 1.00 33.32 H new ATOM 0 HE1 TYR A 24 12.641 -1.055 -5.936 1.00 72.51 H new ATOM 0 HE2 TYR A 24 15.560 -3.182 -3.676 1.00 64.15 H new ATOM 0 HH TYR A 24 15.757 -1.046 -4.198 1.00 4.33 H new ATOM 412 N GLY A 25 13.823 -6.768 -7.882 1.00 14.43 N ATOM 413 CA GLY A 25 15.212 -7.065 -8.222 1.00 53.22 C ATOM 414 C GLY A 25 15.834 -5.987 -9.098 1.00 61.21 C ATOM 415 O GLY A 25 16.392 -5.010 -8.591 1.00 65.32 O ATOM 0 H GLY A 25 13.217 -6.594 -8.684 1.00 14.43 H new ATOM 0 HA2 GLY A 25 15.794 -7.167 -7.306 1.00 53.22 H new ATOM 0 HA3 GLY A 25 15.261 -8.023 -8.739 1.00 53.22 H new ATOM 419 N ASP A 26 15.748 -6.168 -10.413 1.00 3.14 N ATOM 420 CA ASP A 26 16.176 -5.146 -11.372 1.00 1.21 C ATOM 421 C ASP A 26 14.988 -4.736 -12.263 1.00 1.02 C ATOM 422 O ASP A 26 14.181 -5.586 -12.644 1.00 31.12 O ATOM 423 CB ASP A 26 17.335 -5.679 -12.230 1.00 74.14 C ATOM 424 CG ASP A 26 17.938 -4.606 -13.122 1.00 43.34 C ATOM 425 OD1 ASP A 26 17.464 -4.438 -14.265 1.00 51.10 O ATOM 426 OD2 ASP A 26 18.878 -3.908 -12.673 1.00 52.23 O ATOM 0 H ASP A 26 15.384 -7.018 -10.844 1.00 3.14 H new ATOM 0 HA ASP A 26 16.525 -4.268 -10.828 1.00 1.21 H new ATOM 0 HB2 ASP A 26 18.110 -6.083 -11.578 1.00 74.14 H new ATOM 0 HB3 ASP A 26 16.977 -6.502 -12.848 1.00 74.14 H new ATOM 431 N PRO A 27 14.851 -3.429 -12.587 1.00 22.23 N ATOM 432 CA PRO A 27 13.779 -2.918 -13.463 1.00 51.04 C ATOM 433 C PRO A 27 13.435 -3.844 -14.645 1.00 74.14 C ATOM 434 O PRO A 27 12.261 -4.085 -14.934 1.00 74.35 O ATOM 435 CB PRO A 27 14.373 -1.601 -13.963 1.00 54.55 C ATOM 436 CG PRO A 27 15.177 -1.102 -12.810 1.00 21.45 C ATOM 437 CD PRO A 27 15.718 -2.330 -12.107 1.00 42.21 C ATOM 0 HA PRO A 27 12.832 -2.827 -12.931 1.00 51.04 H new ATOM 0 HB2 PRO A 27 14.994 -1.754 -14.845 1.00 54.55 H new ATOM 0 HB3 PRO A 27 13.593 -0.892 -14.241 1.00 54.55 H new ATOM 0 HG2 PRO A 27 15.989 -0.460 -13.151 1.00 21.45 H new ATOM 0 HG3 PRO A 27 14.562 -0.507 -12.135 1.00 21.45 H new ATOM 0 HD2 PRO A 27 16.763 -2.507 -12.360 1.00 42.21 H new ATOM 0 HD3 PRO A 27 15.666 -2.225 -11.023 1.00 42.21 H new ATOM 445 N LEU A 28 14.462 -4.381 -15.307 1.00 44.54 N ATOM 446 CA LEU A 28 14.265 -5.236 -16.486 1.00 2.21 C ATOM 447 C LEU A 28 13.394 -6.468 -16.177 1.00 0.00 C ATOM 448 O LEU A 28 12.615 -6.908 -17.021 1.00 44.51 O ATOM 449 CB LEU A 28 15.620 -5.695 -17.046 1.00 42.00 C ATOM 450 CG LEU A 28 16.570 -4.569 -17.490 1.00 62.02 C ATOM 451 CD1 LEU A 28 17.857 -5.145 -18.077 1.00 23.41 C ATOM 452 CD2 LEU A 28 15.884 -3.638 -18.490 1.00 63.44 C ATOM 0 H LEU A 28 15.439 -4.241 -15.049 1.00 44.54 H new ATOM 0 HA LEU A 28 13.741 -4.635 -17.229 1.00 2.21 H new ATOM 0 HB2 LEU A 28 16.124 -6.293 -16.286 1.00 42.00 H new ATOM 0 HB3 LEU A 28 15.438 -6.350 -17.898 1.00 42.00 H new ATOM 0 HG LEU A 28 16.832 -3.982 -16.610 1.00 62.02 H new ATOM 0 HD11 LEU A 28 18.513 -4.331 -18.384 1.00 23.41 H new ATOM 0 HD12 LEU A 28 18.360 -5.752 -17.325 1.00 23.41 H new ATOM 0 HD13 LEU A 28 17.617 -5.764 -18.942 1.00 23.41 H new ATOM 0 HD21 LEU A 28 16.576 -2.851 -18.788 1.00 63.44 H new ATOM 0 HD22 LEU A 28 15.582 -4.207 -19.369 1.00 63.44 H new ATOM 0 HD23 LEU A 28 15.004 -3.191 -18.027 1.00 63.44 H new ATOM 464 N ALA A 29 13.523 -7.010 -14.966 1.00 42.33 N ATOM 465 CA ALA A 29 12.799 -8.226 -14.574 1.00 25.43 C ATOM 466 C ALA A 29 11.273 -8.071 -14.713 1.00 71.22 C ATOM 467 O ALA A 29 10.657 -8.651 -15.610 1.00 61.22 O ATOM 468 CB ALA A 29 13.165 -8.615 -13.145 1.00 51.23 C ATOM 0 H ALA A 29 14.123 -6.627 -14.236 1.00 42.33 H new ATOM 0 HA ALA A 29 13.103 -9.020 -15.257 1.00 25.43 H new ATOM 0 HB1 ALA A 29 12.623 -9.518 -12.864 1.00 51.23 H new ATOM 0 HB2 ALA A 29 14.237 -8.801 -13.082 1.00 51.23 H new ATOM 0 HB3 ALA A 29 12.897 -7.805 -12.467 1.00 51.23 H new ATOM 474 N TYR A 30 10.669 -7.276 -13.832 1.00 20.51 N ATOM 475 CA TYR A 30 9.212 -7.092 -13.837 1.00 74.25 C ATOM 476 C TYR A 30 8.725 -6.332 -15.084 1.00 13.43 C ATOM 477 O TYR A 30 7.585 -6.511 -15.525 1.00 20.34 O ATOM 478 CB TYR A 30 8.748 -6.389 -12.550 1.00 70.21 C ATOM 479 CG TYR A 30 9.538 -5.141 -12.176 1.00 33.41 C ATOM 480 CD1 TYR A 30 9.309 -3.922 -12.811 1.00 4.42 C ATOM 481 CD2 TYR A 30 10.500 -5.181 -11.168 1.00 14.32 C ATOM 482 CE1 TYR A 30 10.013 -2.786 -12.454 1.00 71.10 C ATOM 483 CE2 TYR A 30 11.209 -4.048 -10.810 1.00 71.13 C ATOM 484 CZ TYR A 30 10.961 -2.854 -11.455 1.00 25.24 C ATOM 485 OH TYR A 30 11.656 -1.722 -11.094 1.00 71.00 O ATOM 0 H TYR A 30 11.159 -6.750 -13.108 1.00 20.51 H new ATOM 0 HA TYR A 30 8.762 -8.084 -13.873 1.00 74.25 H new ATOM 0 HB2 TYR A 30 7.699 -6.116 -12.661 1.00 70.21 H new ATOM 0 HB3 TYR A 30 8.807 -7.099 -11.725 1.00 70.21 H new ATOM 0 HD1 TYR A 30 8.569 -3.863 -13.595 1.00 4.42 H new ATOM 0 HD2 TYR A 30 10.695 -6.113 -10.658 1.00 14.32 H new ATOM 0 HE1 TYR A 30 9.821 -1.849 -12.956 1.00 71.10 H new ATOM 0 HE2 TYR A 30 11.953 -4.098 -10.029 1.00 71.13 H new ATOM 0 HH TYR A 30 12.285 -1.940 -10.375 1.00 71.00 H new ATOM 495 N LEU A 31 9.590 -5.491 -15.653 1.00 43.22 N ATOM 496 CA LEU A 31 9.268 -4.778 -16.895 1.00 65.41 C ATOM 497 C LEU A 31 9.017 -5.782 -18.027 1.00 33.12 C ATOM 498 O LEU A 31 7.943 -5.799 -18.636 1.00 3.31 O ATOM 499 CB LEU A 31 10.416 -3.814 -17.262 1.00 43.11 C ATOM 500 CG LEU A 31 10.133 -2.780 -18.379 1.00 50.03 C ATOM 501 CD1 LEU A 31 11.173 -1.660 -18.339 1.00 61.43 C ATOM 502 CD2 LEU A 31 10.123 -3.429 -19.766 1.00 62.32 C ATOM 0 H LEU A 31 10.516 -5.286 -15.277 1.00 43.22 H new ATOM 0 HA LEU A 31 8.360 -4.193 -16.748 1.00 65.41 H new ATOM 0 HB2 LEU A 31 10.703 -3.271 -16.362 1.00 43.11 H new ATOM 0 HB3 LEU A 31 11.277 -4.411 -17.563 1.00 43.11 H new ATOM 0 HG LEU A 31 9.142 -2.364 -18.196 1.00 50.03 H new ATOM 0 HD11 LEU A 31 10.963 -0.940 -19.130 1.00 61.43 H new ATOM 0 HD12 LEU A 31 11.132 -1.159 -17.372 1.00 61.43 H new ATOM 0 HD13 LEU A 31 12.167 -2.081 -18.487 1.00 61.43 H new ATOM 0 HD21 LEU A 31 9.921 -2.670 -20.522 1.00 62.32 H new ATOM 0 HD22 LEU A 31 11.093 -3.886 -19.961 1.00 62.32 H new ATOM 0 HD23 LEU A 31 9.348 -4.194 -19.804 1.00 62.32 H new ATOM 514 N GLN A 32 10.008 -6.632 -18.289 1.00 35.44 N ATOM 515 CA GLN A 32 9.907 -7.631 -19.355 1.00 23.01 C ATOM 516 C GLN A 32 8.760 -8.617 -19.105 1.00 12.31 C ATOM 517 O GLN A 32 7.946 -8.855 -20.000 1.00 71.32 O ATOM 518 CB GLN A 32 11.238 -8.377 -19.521 1.00 4.55 C ATOM 519 CG GLN A 32 12.352 -7.502 -20.086 1.00 14.22 C ATOM 520 CD GLN A 32 12.030 -6.969 -21.474 1.00 61.52 C ATOM 521 OE1 GLN A 32 11.341 -7.614 -22.261 1.00 44.45 O ATOM 522 NE2 GLN A 32 12.517 -5.787 -21.786 1.00 61.51 N ATOM 0 H GLN A 32 10.891 -6.650 -17.779 1.00 35.44 H new ATOM 0 HA GLN A 32 9.684 -7.102 -20.282 1.00 23.01 H new ATOM 0 HB2 GLN A 32 11.549 -8.770 -18.553 1.00 4.55 H new ATOM 0 HB3 GLN A 32 11.088 -9.233 -20.179 1.00 4.55 H new ATOM 0 HG2 GLN A 32 12.529 -6.664 -19.411 1.00 14.22 H new ATOM 0 HG3 GLN A 32 13.276 -8.078 -20.128 1.00 14.22 H new ATOM 0 HE21 GLN A 32 13.086 -5.275 -21.111 1.00 61.51 H new ATOM 0 HE22 GLN A 32 12.326 -5.382 -22.703 1.00 61.51 H new ATOM 531 N GLU A 33 8.677 -9.169 -17.889 1.00 31.53 N ATOM 532 CA GLU A 33 7.599 -10.114 -17.544 1.00 61.15 C ATOM 533 C GLU A 33 6.221 -9.543 -17.921 1.00 74.43 C ATOM 534 O GLU A 33 5.392 -10.233 -18.504 1.00 14.53 O ATOM 535 CB GLU A 33 7.635 -10.466 -16.048 1.00 11.22 C ATOM 536 CG GLU A 33 6.597 -11.510 -15.623 1.00 3.44 C ATOM 537 CD GLU A 33 6.830 -12.889 -16.241 1.00 62.33 C ATOM 538 OE1 GLU A 33 7.574 -13.697 -15.642 1.00 4.43 O ATOM 539 OE2 GLU A 33 6.261 -13.172 -17.319 1.00 5.11 O ATOM 0 H GLU A 33 9.334 -8.983 -17.132 1.00 31.53 H new ATOM 0 HA GLU A 33 7.763 -11.025 -18.119 1.00 61.15 H new ATOM 0 HB2 GLU A 33 8.629 -10.836 -15.797 1.00 11.22 H new ATOM 0 HB3 GLU A 33 7.477 -9.556 -15.468 1.00 11.22 H new ATOM 0 HG2 GLU A 33 6.608 -11.601 -14.537 1.00 3.44 H new ATOM 0 HG3 GLU A 33 5.604 -11.158 -15.903 1.00 3.44 H new ATOM 546 N THR A 34 5.994 -8.268 -17.612 1.00 64.14 N ATOM 547 CA THR A 34 4.733 -7.603 -17.982 1.00 72.41 C ATOM 548 C THR A 34 4.624 -7.398 -19.504 1.00 33.45 C ATOM 549 O THR A 34 3.528 -7.409 -20.068 1.00 11.12 O ATOM 550 CB THR A 34 4.582 -6.227 -17.288 1.00 32.02 C ATOM 551 OG1 THR A 34 4.720 -6.369 -15.868 1.00 72.34 O ATOM 552 CG2 THR A 34 3.226 -5.596 -17.601 1.00 21.24 C ATOM 0 H THR A 34 6.655 -7.674 -17.112 1.00 64.14 H new ATOM 0 HA THR A 34 3.935 -8.265 -17.646 1.00 72.41 H new ATOM 0 HB THR A 34 5.368 -5.576 -17.670 1.00 32.02 H new ATOM 0 HG1 THR A 34 5.671 -6.412 -15.634 1.00 72.34 H new ATOM 0 HG21 THR A 34 3.149 -4.631 -17.100 1.00 21.24 H new ATOM 0 HG22 THR A 34 3.130 -5.454 -18.678 1.00 21.24 H new ATOM 0 HG23 THR A 34 2.430 -6.252 -17.249 1.00 21.24 H new ATOM 560 N THR A 35 5.766 -7.205 -20.163 1.00 73.44 N ATOM 561 CA THR A 35 5.794 -6.958 -21.614 1.00 45.43 C ATOM 562 C THR A 35 5.297 -8.174 -22.415 1.00 32.51 C ATOM 563 O THR A 35 4.485 -8.031 -23.332 1.00 24.52 O ATOM 564 CB THR A 35 7.217 -6.574 -22.104 1.00 33.13 C ATOM 565 OG1 THR A 35 7.671 -5.385 -21.437 1.00 61.24 O ATOM 566 CG2 THR A 35 7.241 -6.339 -23.612 1.00 20.22 C ATOM 0 H THR A 35 6.685 -7.214 -19.721 1.00 73.44 H new ATOM 0 HA THR A 35 5.118 -6.121 -21.790 1.00 45.43 H new ATOM 0 HB THR A 35 7.880 -7.407 -21.868 1.00 33.13 H new ATOM 0 HG1 THR A 35 7.753 -5.560 -20.476 1.00 61.24 H new ATOM 0 HG21 THR A 35 8.251 -6.072 -23.923 1.00 20.22 H new ATOM 0 HG22 THR A 35 6.931 -7.248 -24.127 1.00 20.22 H new ATOM 0 HG23 THR A 35 6.558 -5.528 -23.865 1.00 20.22 H new ATOM 574 N LYS A 36 5.785 -9.370 -22.075 1.00 2.40 N ATOM 575 CA LYS A 36 5.365 -10.597 -22.773 1.00 1.02 C ATOM 576 C LYS A 36 4.452 -11.481 -21.901 1.00 31.31 C ATOM 577 O LYS A 36 3.349 -11.833 -22.321 1.00 40.40 O ATOM 578 CB LYS A 36 6.577 -11.410 -23.245 1.00 65.14 C ATOM 579 CG LYS A 36 7.470 -10.699 -24.268 1.00 64.22 C ATOM 580 CD LYS A 36 8.555 -9.848 -23.607 1.00 65.43 C ATOM 581 CE LYS A 36 9.505 -9.247 -24.638 1.00 33.22 C ATOM 582 NZ LYS A 36 10.231 -10.295 -25.409 1.00 25.24 N ATOM 0 H LYS A 36 6.465 -9.519 -21.329 1.00 2.40 H new ATOM 0 HA LYS A 36 4.791 -10.276 -23.642 1.00 1.02 H new ATOM 0 HB2 LYS A 36 7.181 -11.672 -22.377 1.00 65.14 H new ATOM 0 HB3 LYS A 36 6.223 -12.344 -23.680 1.00 65.14 H new ATOM 0 HG2 LYS A 36 7.938 -11.441 -24.914 1.00 64.22 H new ATOM 0 HG3 LYS A 36 6.853 -10.065 -24.905 1.00 64.22 H new ATOM 0 HD2 LYS A 36 8.090 -9.048 -23.031 1.00 65.43 H new ATOM 0 HD3 LYS A 36 9.120 -10.460 -22.904 1.00 65.43 H new ATOM 0 HE2 LYS A 36 8.941 -8.617 -25.326 1.00 33.22 H new ATOM 0 HE3 LYS A 36 10.226 -8.603 -24.134 1.00 33.22 H new ATOM 0 HZ1 LYS A 36 11.255 -10.184 -25.266 1.00 25.24 H new ATOM 0 HZ2 LYS A 36 9.935 -11.236 -25.080 1.00 25.24 H new ATOM 0 HZ3 LYS A 36 10.010 -10.197 -26.421 1.00 25.24 H new ATOM 596 N PHE A 37 4.924 -11.845 -20.698 1.00 21.25 N ATOM 597 CA PHE A 37 4.146 -12.656 -19.747 1.00 45.21 C ATOM 598 C PHE A 37 4.032 -14.133 -20.185 1.00 43.32 C ATOM 599 O PHE A 37 4.076 -14.456 -21.376 1.00 24.41 O ATOM 600 CB PHE A 37 2.750 -12.028 -19.546 1.00 70.24 C ATOM 601 CG PHE A 37 1.986 -12.539 -18.348 1.00 13.12 C ATOM 602 CD1 PHE A 37 2.602 -12.642 -17.109 1.00 10.45 C ATOM 603 CD2 PHE A 37 0.648 -12.899 -18.458 1.00 4.33 C ATOM 604 CE1 PHE A 37 1.902 -13.098 -16.009 1.00 51.35 C ATOM 605 CE2 PHE A 37 -0.056 -13.352 -17.358 1.00 33.21 C ATOM 606 CZ PHE A 37 0.573 -13.452 -16.132 1.00 51.21 C ATOM 0 H PHE A 37 5.851 -11.587 -20.358 1.00 21.25 H new ATOM 0 HA PHE A 37 4.680 -12.658 -18.797 1.00 45.21 H new ATOM 0 HB2 PHE A 37 2.864 -10.948 -19.451 1.00 70.24 H new ATOM 0 HB3 PHE A 37 2.155 -12.208 -20.441 1.00 70.24 H new ATOM 0 HD1 PHE A 37 3.640 -12.363 -17.004 1.00 10.45 H new ATOM 0 HD2 PHE A 37 0.152 -12.824 -19.415 1.00 4.33 H new ATOM 0 HE1 PHE A 37 2.395 -13.178 -15.051 1.00 51.35 H new ATOM 0 HE2 PHE A 37 -1.096 -13.627 -17.457 1.00 33.21 H new ATOM 0 HZ PHE A 37 0.026 -13.807 -15.271 1.00 51.21 H new ATOM 616 N VAL A 38 3.927 -15.024 -19.195 1.00 65.10 N ATOM 617 CA VAL A 38 3.648 -16.461 -19.408 1.00 63.02 C ATOM 618 C VAL A 38 4.890 -17.295 -19.798 1.00 14.23 C ATOM 619 O VAL A 38 5.146 -18.333 -19.188 1.00 51.42 O ATOM 620 CB VAL A 38 2.516 -16.702 -20.450 1.00 63.30 C ATOM 621 CG1 VAL A 38 2.302 -18.198 -20.695 1.00 10.30 C ATOM 622 CG2 VAL A 38 1.214 -16.045 -19.992 1.00 42.44 C ATOM 0 H VAL A 38 4.033 -14.774 -18.212 1.00 65.10 H new ATOM 0 HA VAL A 38 3.315 -16.810 -18.431 1.00 63.02 H new ATOM 0 HB VAL A 38 2.824 -16.245 -21.391 1.00 63.30 H new ATOM 0 HG11 VAL A 38 1.506 -18.337 -21.427 1.00 10.30 H new ATOM 0 HG12 VAL A 38 3.224 -18.640 -21.073 1.00 10.30 H new ATOM 0 HG13 VAL A 38 2.024 -18.684 -19.760 1.00 10.30 H new ATOM 0 HG21 VAL A 38 0.435 -16.225 -20.733 1.00 42.44 H new ATOM 0 HG22 VAL A 38 0.909 -16.469 -19.035 1.00 42.44 H new ATOM 0 HG23 VAL A 38 1.368 -14.972 -19.880 1.00 42.44 H new ATOM 632 N THR A 39 5.654 -16.864 -20.807 1.00 42.41 N ATOM 633 CA THR A 39 6.787 -17.675 -21.317 1.00 74.25 C ATOM 634 C THR A 39 8.091 -16.843 -21.461 1.00 23.43 C ATOM 635 O THR A 39 8.465 -16.134 -20.530 1.00 32.32 O ATOM 636 CB THR A 39 6.407 -18.361 -22.665 1.00 44.31 C ATOM 637 OG1 THR A 39 7.488 -19.194 -23.127 1.00 33.21 O ATOM 638 CG2 THR A 39 6.047 -17.331 -23.738 1.00 13.11 C ATOM 0 H THR A 39 5.520 -15.974 -21.287 1.00 42.41 H new ATOM 0 HA THR A 39 6.989 -18.450 -20.577 1.00 74.25 H new ATOM 0 HB THR A 39 5.529 -18.980 -22.483 1.00 44.31 H new ATOM 0 HG1 THR A 39 7.235 -19.619 -23.973 1.00 33.21 H new ATOM 0 HG21 THR A 39 5.788 -17.845 -24.663 1.00 13.11 H new ATOM 0 HG22 THR A 39 5.197 -16.738 -23.402 1.00 13.11 H new ATOM 0 HG23 THR A 39 6.900 -16.676 -23.914 1.00 13.11 H new ATOM 646 N GLU A 40 8.806 -16.995 -22.593 1.00 0.30 N ATOM 647 CA GLU A 40 9.989 -16.173 -22.951 1.00 54.13 C ATOM 648 C GLU A 40 11.335 -16.761 -22.485 1.00 41.31 C ATOM 649 O GLU A 40 11.680 -16.787 -21.284 1.00 4.11 O ATOM 650 CB GLU A 40 9.856 -14.718 -22.483 1.00 55.34 C ATOM 651 CG GLU A 40 8.755 -13.946 -23.194 1.00 35.53 C ATOM 652 CD GLU A 40 9.018 -13.789 -24.683 1.00 74.33 C ATOM 653 OE1 GLU A 40 9.745 -12.851 -25.066 1.00 15.40 O ATOM 654 OE2 GLU A 40 8.511 -14.607 -25.479 1.00 63.04 O ATOM 0 H GLU A 40 8.579 -17.699 -23.296 1.00 0.30 H new ATOM 0 HA GLU A 40 10.002 -16.190 -24.041 1.00 54.13 H new ATOM 0 HB2 GLU A 40 9.661 -14.707 -21.411 1.00 55.34 H new ATOM 0 HB3 GLU A 40 10.806 -14.207 -22.640 1.00 55.34 H new ATOM 0 HG2 GLU A 40 7.805 -14.460 -23.049 1.00 35.53 H new ATOM 0 HG3 GLU A 40 8.657 -12.960 -22.740 1.00 35.53 H new ATOM 661 N ARG A 41 12.119 -17.194 -23.475 1.00 2.12 N ATOM 662 CA ARG A 41 13.475 -17.690 -23.245 1.00 45.40 C ATOM 663 C ARG A 41 14.334 -16.638 -22.523 1.00 21.24 C ATOM 664 O ARG A 41 15.220 -16.978 -21.748 1.00 13.51 O ATOM 665 CB ARG A 41 14.127 -18.100 -24.584 1.00 54.42 C ATOM 666 CG ARG A 41 14.628 -16.945 -25.463 1.00 23.50 C ATOM 667 CD ARG A 41 13.530 -15.961 -25.863 1.00 15.35 C ATOM 668 NE ARG A 41 12.451 -16.590 -26.620 1.00 25.11 N ATOM 669 CZ ARG A 41 11.312 -16.004 -26.883 1.00 43.24 C ATOM 670 NH1 ARG A 41 11.102 -14.782 -26.515 1.00 12.43 N ATOM 671 NH2 ARG A 41 10.391 -16.632 -27.534 1.00 22.22 N ATOM 0 H ARG A 41 11.832 -17.210 -24.454 1.00 2.12 H new ATOM 0 HA ARG A 41 13.413 -18.568 -22.602 1.00 45.40 H new ATOM 0 HB2 ARG A 41 14.967 -18.760 -24.370 1.00 54.42 H new ATOM 0 HB3 ARG A 41 13.403 -18.680 -25.157 1.00 54.42 H new ATOM 0 HG2 ARG A 41 15.411 -16.406 -24.929 1.00 23.50 H new ATOM 0 HG3 ARG A 41 15.082 -17.356 -26.365 1.00 23.50 H new ATOM 0 HD2 ARG A 41 13.117 -15.501 -24.965 1.00 15.35 H new ATOM 0 HD3 ARG A 41 13.967 -15.160 -26.460 1.00 15.35 H new ATOM 0 HE ARG A 41 12.594 -17.540 -26.963 1.00 25.11 H new ATOM 0 HH11 ARG A 41 11.828 -14.268 -26.016 1.00 12.43 H new ATOM 0 HH12 ARG A 41 10.211 -14.332 -26.724 1.00 12.43 H new ATOM 0 HH21 ARG A 41 10.550 -17.590 -27.846 1.00 22.22 H new ATOM 0 HH22 ARG A 41 9.504 -16.170 -27.736 1.00 22.22 H new ATOM 685 N GLU A 42 14.028 -15.358 -22.759 1.00 51.35 N ATOM 686 CA GLU A 42 14.767 -14.249 -22.143 1.00 0.40 C ATOM 687 C GLU A 42 14.749 -14.343 -20.611 1.00 15.33 C ATOM 688 O GLU A 42 15.750 -14.068 -19.952 1.00 11.35 O ATOM 689 CB GLU A 42 14.175 -12.901 -22.587 1.00 51.13 C ATOM 690 CG GLU A 42 14.299 -12.625 -24.084 1.00 15.14 C ATOM 691 CD GLU A 42 13.737 -11.265 -24.484 1.00 74.42 C ATOM 692 OE1 GLU A 42 14.330 -10.236 -24.097 1.00 64.11 O ATOM 693 OE2 GLU A 42 12.697 -11.217 -25.171 1.00 61.43 O ATOM 0 H GLU A 42 13.270 -15.063 -23.375 1.00 51.35 H new ATOM 0 HA GLU A 42 15.802 -14.318 -22.476 1.00 0.40 H new ATOM 0 HB2 GLU A 42 13.121 -12.871 -22.310 1.00 51.13 H new ATOM 0 HB3 GLU A 42 14.672 -12.101 -22.039 1.00 51.13 H new ATOM 0 HG2 GLU A 42 15.349 -12.678 -24.373 1.00 15.14 H new ATOM 0 HG3 GLU A 42 13.777 -13.406 -24.637 1.00 15.14 H new ATOM 700 N TYR A 43 13.606 -14.738 -20.050 1.00 51.33 N ATOM 701 CA TYR A 43 13.475 -14.881 -18.595 1.00 41.23 C ATOM 702 C TYR A 43 14.230 -16.124 -18.128 1.00 22.53 C ATOM 703 O TYR A 43 14.882 -16.122 -17.082 1.00 20.34 O ATOM 704 CB TYR A 43 12.000 -14.990 -18.180 1.00 13.53 C ATOM 705 CG TYR A 43 11.080 -13.954 -18.808 1.00 25.04 C ATOM 706 CD1 TYR A 43 11.581 -12.826 -19.455 1.00 2.21 C ATOM 707 CD2 TYR A 43 9.702 -14.127 -18.779 1.00 32.42 C ATOM 708 CE1 TYR A 43 10.735 -11.908 -20.043 1.00 52.23 C ATOM 709 CE2 TYR A 43 8.853 -13.216 -19.370 1.00 65.10 C ATOM 710 CZ TYR A 43 9.373 -12.112 -20.000 1.00 13.20 C ATOM 711 OH TYR A 43 8.526 -11.215 -20.599 1.00 70.55 O ATOM 0 H TYR A 43 12.761 -14.964 -20.575 1.00 51.33 H new ATOM 0 HA TYR A 43 13.900 -13.993 -18.127 1.00 41.23 H new ATOM 0 HB2 TYR A 43 11.636 -15.984 -18.442 1.00 13.53 H new ATOM 0 HB3 TYR A 43 11.935 -14.902 -17.095 1.00 13.53 H new ATOM 0 HD1 TYR A 43 12.649 -12.668 -19.497 1.00 2.21 H new ATOM 0 HD2 TYR A 43 9.288 -14.993 -18.284 1.00 32.42 H new ATOM 0 HE1 TYR A 43 11.138 -11.035 -20.534 1.00 52.23 H new ATOM 0 HE2 TYR A 43 7.784 -13.370 -19.338 1.00 65.10 H new ATOM 0 HH TYR A 43 8.973 -10.346 -20.679 1.00 70.55 H new ATOM 721 N TYR A 44 14.132 -17.186 -18.928 1.00 5.12 N ATOM 722 CA TYR A 44 14.896 -18.416 -18.677 1.00 71.21 C ATOM 723 C TYR A 44 16.402 -18.221 -18.943 1.00 71.31 C ATOM 724 O TYR A 44 17.212 -19.091 -18.621 1.00 62.32 O ATOM 725 CB TYR A 44 14.357 -19.565 -19.542 1.00 2.34 C ATOM 726 CG TYR A 44 13.042 -20.142 -19.049 1.00 72.01 C ATOM 727 CD1 TYR A 44 11.824 -19.586 -19.425 1.00 33.33 C ATOM 728 CD2 TYR A 44 13.023 -21.243 -18.201 1.00 22.22 C ATOM 729 CE1 TYR A 44 10.632 -20.115 -18.970 1.00 51.54 C ATOM 730 CE2 TYR A 44 11.835 -21.776 -17.743 1.00 23.44 C ATOM 731 CZ TYR A 44 10.643 -21.208 -18.128 1.00 35.40 C ATOM 732 OH TYR A 44 9.455 -21.738 -17.673 1.00 2.45 O ATOM 0 H TYR A 44 13.534 -17.223 -19.754 1.00 5.12 H new ATOM 0 HA TYR A 44 14.773 -18.666 -17.623 1.00 71.21 H new ATOM 0 HB2 TYR A 44 14.225 -19.207 -20.563 1.00 2.34 H new ATOM 0 HB3 TYR A 44 15.101 -20.361 -19.577 1.00 2.34 H new ATOM 0 HD1 TYR A 44 11.810 -18.729 -20.082 1.00 33.33 H new ATOM 0 HD2 TYR A 44 13.957 -21.691 -17.894 1.00 22.22 H new ATOM 0 HE1 TYR A 44 9.694 -19.674 -19.273 1.00 51.54 H new ATOM 0 HE2 TYR A 44 11.841 -22.634 -17.087 1.00 23.44 H new ATOM 0 HH TYR A 44 9.636 -22.373 -16.949 1.00 2.45 H new ATOM 742 N GLU A 45 16.778 -17.085 -19.535 1.00 50.12 N ATOM 743 CA GLU A 45 18.189 -16.810 -19.855 1.00 64.01 C ATOM 744 C GLU A 45 18.813 -15.760 -18.919 1.00 70.34 C ATOM 745 O GLU A 45 19.179 -14.660 -19.348 1.00 23.22 O ATOM 746 CB GLU A 45 18.360 -16.385 -21.326 1.00 34.31 C ATOM 747 CG GLU A 45 18.189 -17.531 -22.320 1.00 13.23 C ATOM 748 CD GLU A 45 18.543 -17.133 -23.745 1.00 0.24 C ATOM 749 OE1 GLU A 45 19.748 -17.079 -24.068 1.00 44.11 O ATOM 750 OE2 GLU A 45 17.625 -16.889 -24.552 1.00 73.41 O ATOM 0 H GLU A 45 16.133 -16.342 -19.803 1.00 50.12 H new ATOM 0 HA GLU A 45 18.725 -17.746 -19.698 1.00 64.01 H new ATOM 0 HB2 GLU A 45 17.634 -15.605 -21.556 1.00 34.31 H new ATOM 0 HB3 GLU A 45 19.350 -15.948 -21.456 1.00 34.31 H new ATOM 0 HG2 GLU A 45 18.817 -18.368 -22.015 1.00 13.23 H new ATOM 0 HG3 GLU A 45 17.157 -17.880 -22.291 1.00 13.23 H new ATOM 757 N ASP A 46 18.905 -16.114 -17.637 1.00 22.24 N ATOM 758 CA ASP A 46 19.691 -15.354 -16.653 1.00 1.12 C ATOM 759 C ASP A 46 19.130 -13.930 -16.427 1.00 3.42 C ATOM 760 O ASP A 46 19.529 -12.973 -17.096 1.00 14.10 O ATOM 761 CB ASP A 46 21.162 -15.310 -17.107 1.00 11.14 C ATOM 762 CG ASP A 46 22.125 -14.998 -15.977 1.00 15.41 C ATOM 763 OD1 ASP A 46 22.267 -15.842 -15.069 1.00 35.13 O ATOM 764 OD2 ASP A 46 22.752 -13.917 -15.998 1.00 62.21 O ATOM 0 H ASP A 46 18.439 -16.934 -17.248 1.00 22.24 H new ATOM 0 HA ASP A 46 19.623 -15.862 -15.691 1.00 1.12 H new ATOM 0 HB2 ASP A 46 21.428 -16.270 -17.549 1.00 11.14 H new ATOM 0 HB3 ASP A 46 21.272 -14.558 -17.888 1.00 11.14 H new ATOM 769 N PHE A 47 18.201 -13.803 -15.476 1.00 4.45 N ATOM 770 CA PHE A 47 17.535 -12.521 -15.192 1.00 34.23 C ATOM 771 C PHE A 47 17.604 -12.169 -13.693 1.00 61.45 C ATOM 772 O PHE A 47 17.430 -13.033 -12.836 1.00 32.30 O ATOM 773 CB PHE A 47 16.067 -12.585 -15.658 1.00 62.20 C ATOM 774 CG PHE A 47 15.731 -11.620 -16.767 1.00 74.55 C ATOM 775 CD1 PHE A 47 16.351 -11.719 -18.004 1.00 32.11 C ATOM 776 CD2 PHE A 47 14.797 -10.613 -16.571 1.00 2.14 C ATOM 777 CE1 PHE A 47 16.045 -10.835 -19.021 1.00 3.42 C ATOM 778 CE2 PHE A 47 14.488 -9.727 -17.584 1.00 64.15 C ATOM 779 CZ PHE A 47 15.113 -9.838 -18.811 1.00 44.45 C ATOM 0 H PHE A 47 17.889 -14.574 -14.885 1.00 4.45 H new ATOM 0 HA PHE A 47 18.057 -11.736 -15.740 1.00 34.23 H new ATOM 0 HB2 PHE A 47 15.847 -13.598 -15.994 1.00 62.20 H new ATOM 0 HB3 PHE A 47 15.417 -12.384 -14.806 1.00 62.20 H new ATOM 0 HD1 PHE A 47 17.081 -12.496 -18.174 1.00 32.11 H new ATOM 0 HD2 PHE A 47 14.305 -10.521 -15.614 1.00 2.14 H new ATOM 0 HE1 PHE A 47 16.535 -10.924 -19.980 1.00 3.42 H new ATOM 0 HE2 PHE A 47 13.759 -8.948 -17.417 1.00 64.15 H new ATOM 0 HZ PHE A 47 14.873 -9.146 -19.605 1.00 44.45 H new ATOM 789 N GLY A 48 17.840 -10.891 -13.391 1.00 71.20 N ATOM 790 CA GLY A 48 17.988 -10.449 -12.002 1.00 1.21 C ATOM 791 C GLY A 48 16.662 -10.304 -11.251 1.00 34.42 C ATOM 792 O GLY A 48 15.967 -9.291 -11.382 1.00 55.41 O ATOM 0 H GLY A 48 17.932 -10.148 -14.084 1.00 71.20 H new ATOM 0 HA2 GLY A 48 18.619 -11.161 -11.470 1.00 1.21 H new ATOM 0 HA3 GLY A 48 18.508 -9.491 -11.990 1.00 1.21 H new ATOM 1115 N PRO A 71 -1.308 -17.707 -3.793 1.00 52.54 N ATOM 1116 CA PRO A 71 -1.647 -18.825 -4.694 1.00 21.15 C ATOM 1117 C PRO A 71 -3.076 -19.358 -4.487 1.00 61.01 C ATOM 1118 O PRO A 71 -3.597 -20.102 -5.323 1.00 71.04 O ATOM 1119 CB PRO A 71 -0.607 -19.896 -4.330 1.00 73.35 C ATOM 1120 CG PRO A 71 -0.249 -19.605 -2.912 1.00 71.34 C ATOM 1121 CD PRO A 71 -0.323 -18.107 -2.765 1.00 22.22 C ATOM 0 HA PRO A 71 -1.624 -18.521 -5.740 1.00 21.15 H new ATOM 0 HB2 PRO A 71 -1.018 -20.900 -4.437 1.00 73.35 H new ATOM 0 HB3 PRO A 71 0.266 -19.838 -4.980 1.00 73.35 H new ATOM 0 HG2 PRO A 71 -0.937 -20.099 -2.226 1.00 71.34 H new ATOM 0 HG3 PRO A 71 0.751 -19.971 -2.679 1.00 71.34 H new ATOM 0 HD2 PRO A 71 -0.646 -17.817 -1.765 1.00 22.22 H new ATOM 0 HD3 PRO A 71 0.647 -17.639 -2.935 1.00 22.22 H new ATOM 1129 N LYS A 72 -3.713 -18.967 -3.382 1.00 22.41 N ATOM 1130 CA LYS A 72 -5.072 -19.428 -3.072 1.00 43.14 C ATOM 1131 C LYS A 72 -6.088 -18.852 -4.074 1.00 21.03 C ATOM 1132 O LYS A 72 -6.995 -19.550 -4.530 1.00 62.44 O ATOM 1133 CB LYS A 72 -5.472 -19.015 -1.646 1.00 60.40 C ATOM 1134 CG LYS A 72 -4.417 -19.313 -0.581 1.00 41.40 C ATOM 1135 CD LYS A 72 -4.862 -18.811 0.793 1.00 34.35 C ATOM 1136 CE LYS A 72 -3.748 -18.885 1.831 1.00 51.44 C ATOM 1137 NZ LYS A 72 -2.598 -18.003 1.491 1.00 12.23 N ATOM 0 H LYS A 72 -3.314 -18.335 -2.688 1.00 22.41 H new ATOM 0 HA LYS A 72 -5.078 -20.515 -3.146 1.00 43.14 H new ATOM 0 HB2 LYS A 72 -5.687 -17.946 -1.638 1.00 60.40 H new ATOM 0 HB3 LYS A 72 -6.396 -19.528 -1.378 1.00 60.40 H new ATOM 0 HG2 LYS A 72 -4.234 -20.387 -0.537 1.00 41.40 H new ATOM 0 HG3 LYS A 72 -3.475 -18.840 -0.856 1.00 41.40 H new ATOM 0 HD2 LYS A 72 -5.205 -17.780 0.706 1.00 34.35 H new ATOM 0 HD3 LYS A 72 -5.712 -19.402 1.134 1.00 34.35 H new ATOM 0 HE2 LYS A 72 -4.144 -18.602 2.806 1.00 51.44 H new ATOM 0 HE3 LYS A 72 -3.401 -19.915 1.915 1.00 51.44 H new ATOM 0 HZ1 LYS A 72 -1.990 -17.888 2.327 1.00 12.23 H new ATOM 0 HZ2 LYS A 72 -2.048 -18.432 0.719 1.00 12.23 H new ATOM 0 HZ3 LYS A 72 -2.951 -17.073 1.189 1.00 12.23 H new ATOM 1151 N LEU A 73 -5.932 -17.570 -4.403 1.00 13.44 N ATOM 1152 CA LEU A 73 -6.831 -16.887 -5.349 1.00 3.13 C ATOM 1153 C LEU A 73 -6.199 -16.740 -6.746 1.00 64.10 C ATOM 1154 O LEU A 73 -6.713 -16.009 -7.590 1.00 32.13 O ATOM 1155 CB LEU A 73 -7.196 -15.496 -4.805 1.00 52.52 C ATOM 1156 CG LEU A 73 -7.850 -15.477 -3.413 1.00 73.35 C ATOM 1157 CD1 LEU A 73 -8.132 -14.043 -2.971 1.00 42.34 C ATOM 1158 CD2 LEU A 73 -9.131 -16.310 -3.404 1.00 43.31 C ATOM 0 H LEU A 73 -5.191 -16.977 -4.030 1.00 13.44 H new ATOM 0 HA LEU A 73 -7.726 -17.500 -5.451 1.00 3.13 H new ATOM 0 HB2 LEU A 73 -6.290 -14.890 -4.769 1.00 52.52 H new ATOM 0 HB3 LEU A 73 -7.873 -15.016 -5.511 1.00 52.52 H new ATOM 0 HG LEU A 73 -7.153 -15.922 -2.703 1.00 73.35 H new ATOM 0 HD11 LEU A 73 -8.595 -14.051 -1.984 1.00 42.34 H new ATOM 0 HD12 LEU A 73 -7.197 -13.485 -2.929 1.00 42.34 H new ATOM 0 HD13 LEU A 73 -8.806 -13.568 -3.684 1.00 42.34 H new ATOM 0 HD21 LEU A 73 -9.576 -16.282 -2.409 1.00 43.31 H new ATOM 0 HD22 LEU A 73 -9.836 -15.902 -4.129 1.00 43.31 H new ATOM 0 HD23 LEU A 73 -8.896 -17.341 -3.668 1.00 43.31 H new ATOM 1170 N LEU A 74 -5.099 -17.448 -6.992 1.00 45.21 N ATOM 1171 CA LEU A 74 -4.343 -17.304 -8.247 1.00 12.10 C ATOM 1172 C LEU A 74 -4.768 -18.345 -9.308 1.00 43.34 C ATOM 1173 O LEU A 74 -4.548 -19.547 -9.135 1.00 42.55 O ATOM 1174 CB LEU A 74 -2.830 -17.405 -7.940 1.00 33.33 C ATOM 1175 CG LEU A 74 -1.848 -17.165 -9.116 1.00 1.40 C ATOM 1176 CD1 LEU A 74 -1.630 -18.435 -9.936 1.00 23.42 C ATOM 1177 CD2 LEU A 74 -2.330 -16.022 -10.012 1.00 34.31 C ATOM 0 H LEU A 74 -4.706 -18.129 -6.342 1.00 45.21 H new ATOM 0 HA LEU A 74 -4.565 -16.326 -8.673 1.00 12.10 H new ATOM 0 HB2 LEU A 74 -2.597 -16.687 -7.154 1.00 33.33 H new ATOM 0 HB3 LEU A 74 -2.634 -18.397 -7.534 1.00 33.33 H new ATOM 0 HG LEU A 74 -0.889 -16.880 -8.683 1.00 1.40 H new ATOM 0 HD11 LEU A 74 -0.936 -18.227 -10.751 1.00 23.42 H new ATOM 0 HD12 LEU A 74 -1.216 -19.214 -9.296 1.00 23.42 H new ATOM 0 HD13 LEU A 74 -2.582 -18.771 -10.347 1.00 23.42 H new ATOM 0 HD21 LEU A 74 -1.622 -15.876 -10.828 1.00 34.31 H new ATOM 0 HD22 LEU A 74 -3.310 -16.269 -10.421 1.00 34.31 H new ATOM 0 HD23 LEU A 74 -2.402 -15.106 -9.426 1.00 34.31 H new ATOM 1189 N PRO A 75 -5.409 -17.890 -10.414 1.00 42.31 N ATOM 1190 CA PRO A 75 -5.645 -18.728 -11.607 1.00 24.32 C ATOM 1191 C PRO A 75 -4.387 -18.811 -12.497 1.00 13.30 C ATOM 1192 O PRO A 75 -3.681 -17.815 -12.677 1.00 2.34 O ATOM 1193 CB PRO A 75 -6.774 -17.985 -12.328 1.00 24.10 C ATOM 1194 CG PRO A 75 -6.557 -16.550 -11.979 1.00 73.25 C ATOM 1195 CD PRO A 75 -5.983 -16.535 -10.579 1.00 43.14 C ATOM 0 HA PRO A 75 -5.891 -19.761 -11.359 1.00 24.32 H new ATOM 0 HB2 PRO A 75 -6.729 -18.143 -13.406 1.00 24.10 H new ATOM 0 HB3 PRO A 75 -7.753 -18.331 -11.996 1.00 24.10 H new ATOM 0 HG2 PRO A 75 -5.874 -16.077 -12.684 1.00 73.25 H new ATOM 0 HG3 PRO A 75 -7.493 -15.994 -12.021 1.00 73.25 H new ATOM 0 HD2 PRO A 75 -5.222 -15.763 -10.468 1.00 43.14 H new ATOM 0 HD3 PRO A 75 -6.753 -16.334 -9.834 1.00 43.14 H new ATOM 1203 N TYR A 76 -4.109 -19.983 -13.072 1.00 60.40 N ATOM 1204 CA TYR A 76 -2.820 -20.197 -13.748 1.00 53.21 C ATOM 1205 C TYR A 76 -2.883 -21.190 -14.921 1.00 65.35 C ATOM 1206 O TYR A 76 -3.712 -22.100 -14.956 1.00 53.11 O ATOM 1207 CB TYR A 76 -1.791 -20.704 -12.726 1.00 12.11 C ATOM 1208 CG TYR A 76 -2.199 -22.004 -12.045 1.00 43.31 C ATOM 1209 CD1 TYR A 76 -2.955 -21.992 -10.876 1.00 23.22 C ATOM 1210 CD2 TYR A 76 -1.840 -23.241 -12.578 1.00 72.14 C ATOM 1211 CE1 TYR A 76 -3.339 -23.169 -10.260 1.00 13.50 C ATOM 1212 CE2 TYR A 76 -2.220 -24.421 -11.966 1.00 70.24 C ATOM 1213 CZ TYR A 76 -2.969 -24.380 -10.809 1.00 13.41 C ATOM 1214 OH TYR A 76 -3.354 -25.556 -10.203 1.00 52.42 O ATOM 0 H TYR A 76 -4.740 -20.784 -13.086 1.00 60.40 H new ATOM 0 HA TYR A 76 -2.533 -19.233 -14.168 1.00 53.21 H new ATOM 0 HB2 TYR A 76 -0.835 -20.851 -13.228 1.00 12.11 H new ATOM 0 HB3 TYR A 76 -1.638 -19.938 -11.966 1.00 12.11 H new ATOM 0 HD1 TYR A 76 -3.247 -21.047 -10.443 1.00 23.22 H new ATOM 0 HD2 TYR A 76 -1.255 -23.278 -13.485 1.00 72.14 H new ATOM 0 HE1 TYR A 76 -3.926 -23.141 -9.354 1.00 13.50 H new ATOM 0 HE2 TYR A 76 -1.932 -25.371 -12.392 1.00 70.24 H new ATOM 0 HH TYR A 76 -3.012 -26.317 -10.718 1.00 52.42 H new ATOM 1224 N ASP A 77 -1.987 -20.974 -15.883 1.00 51.31 N ATOM 1225 CA ASP A 77 -1.625 -21.977 -16.891 1.00 30.24 C ATOM 1226 C ASP A 77 -0.291 -22.629 -16.470 1.00 42.31 C ATOM 1227 O ASP A 77 0.405 -22.084 -15.618 1.00 75.42 O ATOM 1228 CB ASP A 77 -1.494 -21.300 -18.270 1.00 32.21 C ATOM 1229 CG ASP A 77 -0.956 -22.234 -19.346 1.00 71.21 C ATOM 1230 OD1 ASP A 77 -1.751 -22.972 -19.965 1.00 23.21 O ATOM 1231 OD2 ASP A 77 0.272 -22.243 -19.570 1.00 22.42 O ATOM 0 H ASP A 77 -1.486 -20.092 -15.988 1.00 51.31 H new ATOM 0 HA ASP A 77 -2.395 -22.745 -16.963 1.00 30.24 H new ATOM 0 HB2 ASP A 77 -2.470 -20.925 -18.578 1.00 32.21 H new ATOM 0 HB3 ASP A 77 -0.834 -20.437 -18.183 1.00 32.21 H new ATOM 1236 N LYS A 78 0.069 -23.780 -17.049 1.00 35.41 N ATOM 1237 CA LYS A 78 1.341 -24.450 -16.704 1.00 71.30 C ATOM 1238 C LYS A 78 2.539 -23.475 -16.762 1.00 70.35 C ATOM 1239 O LYS A 78 3.290 -23.334 -15.794 1.00 33.23 O ATOM 1240 CB LYS A 78 1.607 -25.638 -17.642 1.00 23.41 C ATOM 1241 CG LYS A 78 0.586 -26.771 -17.546 1.00 41.44 C ATOM 1242 CD LYS A 78 1.024 -27.979 -18.376 1.00 23.25 C ATOM 1243 CE LYS A 78 0.067 -29.159 -18.239 1.00 64.54 C ATOM 1244 NZ LYS A 78 -1.262 -28.886 -18.847 1.00 33.35 N ATOM 0 H LYS A 78 -0.490 -24.267 -17.750 1.00 35.41 H new ATOM 0 HA LYS A 78 1.239 -24.811 -15.681 1.00 71.30 H new ATOM 0 HB2 LYS A 78 1.629 -25.274 -18.669 1.00 23.41 H new ATOM 0 HB3 LYS A 78 2.597 -26.040 -17.425 1.00 23.41 H new ATOM 0 HG2 LYS A 78 0.463 -27.067 -16.504 1.00 41.44 H new ATOM 0 HG3 LYS A 78 -0.385 -26.420 -17.894 1.00 41.44 H new ATOM 0 HD2 LYS A 78 1.092 -27.690 -19.425 1.00 23.25 H new ATOM 0 HD3 LYS A 78 2.022 -28.287 -18.065 1.00 23.25 H new ATOM 0 HE2 LYS A 78 0.507 -30.037 -18.713 1.00 64.54 H new ATOM 0 HE3 LYS A 78 -0.062 -29.398 -17.183 1.00 64.54 H new ATOM 0 HZ1 LYS A 78 -1.876 -29.717 -18.728 1.00 33.35 H new ATOM 0 HZ2 LYS A 78 -1.696 -28.065 -18.378 1.00 33.35 H new ATOM 0 HZ3 LYS A 78 -1.145 -28.684 -19.861 1.00 33.35 H new ATOM 1258 N ARG A 79 2.689 -22.792 -17.898 1.00 12.11 N ATOM 1259 CA ARG A 79 3.798 -21.845 -18.104 1.00 14.13 C ATOM 1260 C ARG A 79 3.678 -20.621 -17.179 1.00 30.40 C ATOM 1261 O ARG A 79 4.678 -20.116 -16.656 1.00 65.02 O ATOM 1262 CB ARG A 79 3.837 -21.387 -19.576 1.00 32.53 C ATOM 1263 CG ARG A 79 4.477 -22.382 -20.549 1.00 25.40 C ATOM 1264 CD ARG A 79 3.843 -23.769 -20.488 1.00 71.05 C ATOM 1265 NE ARG A 79 2.389 -23.738 -20.666 1.00 71.42 N ATOM 1266 CZ ARG A 79 1.673 -24.770 -21.024 1.00 51.42 C ATOM 1267 NH1 ARG A 79 2.243 -25.877 -21.384 1.00 21.11 N ATOM 1268 NH2 ARG A 79 0.381 -24.681 -21.037 1.00 44.24 N ATOM 0 H ARG A 79 2.057 -22.874 -18.694 1.00 12.11 H new ATOM 0 HA ARG A 79 4.725 -22.362 -17.858 1.00 14.13 H new ATOM 0 HB2 ARG A 79 2.817 -21.186 -19.905 1.00 32.53 H new ATOM 0 HB3 ARG A 79 4.382 -20.445 -19.633 1.00 32.53 H new ATOM 0 HG2 ARG A 79 4.392 -21.994 -21.564 1.00 25.40 H new ATOM 0 HG3 ARG A 79 5.541 -22.465 -20.327 1.00 25.40 H new ATOM 0 HD2 ARG A 79 4.285 -24.400 -21.259 1.00 71.05 H new ATOM 0 HD3 ARG A 79 4.077 -24.228 -19.528 1.00 71.05 H new ATOM 0 HE ARG A 79 1.906 -22.855 -20.500 1.00 71.42 H new ATOM 0 HH11 ARG A 79 3.260 -25.948 -21.390 1.00 21.11 H new ATOM 0 HH12 ARG A 79 1.674 -26.677 -21.662 1.00 21.11 H new ATOM 0 HH21 ARG A 79 -0.073 -23.808 -20.768 1.00 44.24 H new ATOM 0 HH22 ARG A 79 -0.183 -25.484 -21.316 1.00 44.24 H new ATOM 1282 N LEU A 80 2.445 -20.158 -16.980 1.00 14.11 N ATOM 1283 CA LEU A 80 2.169 -18.988 -16.134 1.00 13.33 C ATOM 1284 C LEU A 80 2.538 -19.278 -14.668 1.00 2.14 C ATOM 1285 O LEU A 80 3.269 -18.513 -14.035 1.00 13.23 O ATOM 1286 CB LEU A 80 0.678 -18.610 -16.263 1.00 25.33 C ATOM 1287 CG LEU A 80 0.263 -17.214 -15.739 1.00 71.21 C ATOM 1288 CD1 LEU A 80 -1.126 -16.848 -16.258 1.00 32.22 C ATOM 1289 CD2 LEU A 80 0.281 -17.149 -14.209 1.00 51.23 C ATOM 0 H LEU A 80 1.612 -20.576 -17.395 1.00 14.11 H new ATOM 0 HA LEU A 80 2.780 -18.149 -16.467 1.00 13.33 H new ATOM 0 HB2 LEU A 80 0.401 -18.674 -17.315 1.00 25.33 H new ATOM 0 HB3 LEU A 80 0.091 -19.360 -15.733 1.00 25.33 H new ATOM 0 HG LEU A 80 0.993 -16.495 -16.111 1.00 71.21 H new ATOM 0 HD11 LEU A 80 -1.407 -15.864 -15.883 1.00 32.22 H new ATOM 0 HD12 LEU A 80 -1.114 -16.831 -17.348 1.00 32.22 H new ATOM 0 HD13 LEU A 80 -1.849 -17.587 -15.914 1.00 32.22 H new ATOM 0 HD21 LEU A 80 -0.017 -16.152 -13.884 1.00 51.23 H new ATOM 0 HD22 LEU A 80 -0.414 -17.885 -13.805 1.00 51.23 H new ATOM 0 HD23 LEU A 80 1.287 -17.364 -13.848 1.00 51.23 H new ATOM 1301 N ALA A 81 2.019 -20.391 -14.142 1.00 74.34 N ATOM 1302 CA ALA A 81 2.303 -20.827 -12.769 1.00 53.03 C ATOM 1303 C ALA A 81 3.809 -20.947 -12.527 1.00 22.32 C ATOM 1304 O ALA A 81 4.334 -20.423 -11.541 1.00 61.10 O ATOM 1305 CB ALA A 81 1.616 -22.162 -12.490 1.00 22.41 C ATOM 0 H ALA A 81 1.393 -21.014 -14.652 1.00 74.34 H new ATOM 0 HA ALA A 81 1.911 -20.073 -12.086 1.00 53.03 H new ATOM 0 HB1 ALA A 81 1.833 -22.477 -11.469 1.00 22.41 H new ATOM 0 HB2 ALA A 81 0.539 -22.050 -12.614 1.00 22.41 H new ATOM 0 HB3 ALA A 81 1.985 -22.914 -13.187 1.00 22.41 H new ATOM 1311 N TRP A 82 4.494 -21.633 -13.445 1.00 52.31 N ATOM 1312 CA TRP A 82 5.952 -21.786 -13.385 1.00 54.34 C ATOM 1313 C TRP A 82 6.633 -20.422 -13.197 1.00 73.30 C ATOM 1314 O TRP A 82 7.447 -20.248 -12.294 1.00 73.42 O ATOM 1315 CB TRP A 82 6.463 -22.454 -14.675 1.00 44.02 C ATOM 1316 CG TRP A 82 7.909 -22.897 -14.633 1.00 34.15 C ATOM 1317 CD1 TRP A 82 8.949 -22.303 -13.967 1.00 15.13 C ATOM 1318 CD2 TRP A 82 8.471 -24.025 -15.314 1.00 4.21 C ATOM 1319 NE1 TRP A 82 10.110 -23.000 -14.182 1.00 44.12 N ATOM 1320 CE2 TRP A 82 9.846 -24.059 -15.007 1.00 3.43 C ATOM 1321 CE3 TRP A 82 7.944 -25.012 -16.149 1.00 32.30 C ATOM 1322 CZ2 TRP A 82 10.696 -25.038 -15.509 1.00 55.25 C ATOM 1323 CZ3 TRP A 82 8.791 -25.984 -16.646 1.00 42.50 C ATOM 1324 CH2 TRP A 82 10.153 -25.990 -16.324 1.00 51.23 C ATOM 0 H TRP A 82 4.060 -22.095 -14.244 1.00 52.31 H new ATOM 0 HA TRP A 82 6.199 -22.417 -12.531 1.00 54.34 H new ATOM 0 HB2 TRP A 82 5.839 -23.321 -14.890 1.00 44.02 H new ATOM 0 HB3 TRP A 82 6.336 -21.757 -15.503 1.00 44.02 H new ATOM 0 HD1 TRP A 82 8.866 -21.414 -13.360 1.00 15.13 H new ATOM 0 HE1 TRP A 82 11.023 -22.767 -13.790 1.00 44.12 H new ATOM 0 HE3 TRP A 82 6.894 -25.016 -16.402 1.00 32.30 H new ATOM 0 HZ2 TRP A 82 11.748 -25.045 -15.263 1.00 55.25 H new ATOM 0 HZ3 TRP A 82 8.395 -26.752 -17.294 1.00 42.50 H new ATOM 0 HH2 TRP A 82 10.788 -26.764 -16.729 1.00 51.23 H new ATOM 1335 N HIS A 83 6.274 -19.455 -14.044 1.00 5.45 N ATOM 1336 CA HIS A 83 6.895 -18.125 -14.014 1.00 33.15 C ATOM 1337 C HIS A 83 6.728 -17.425 -12.661 1.00 63.03 C ATOM 1338 O HIS A 83 7.708 -17.195 -11.958 1.00 71.51 O ATOM 1339 CB HIS A 83 6.343 -17.242 -15.143 1.00 25.43 C ATOM 1340 CG HIS A 83 7.135 -17.359 -16.401 1.00 33.20 C ATOM 1341 ND1 HIS A 83 7.062 -18.448 -17.237 1.00 4.20 N ATOM 1342 CD2 HIS A 83 8.062 -16.537 -16.939 1.00 5.13 C ATOM 1343 CE1 HIS A 83 7.911 -18.295 -18.225 1.00 40.14 C ATOM 1344 NE2 HIS A 83 8.531 -17.143 -18.075 1.00 61.41 N ATOM 0 H HIS A 83 5.556 -19.566 -14.760 1.00 5.45 H new ATOM 0 HA HIS A 83 7.964 -18.276 -14.167 1.00 33.15 H new ATOM 0 HB2 HIS A 83 5.308 -17.519 -15.343 1.00 25.43 H new ATOM 0 HB3 HIS A 83 6.338 -16.202 -14.817 1.00 25.43 H new ATOM 0 HD1 HIS A 83 6.444 -19.250 -17.109 1.00 4.20 H new ATOM 0 HD2 HIS A 83 8.375 -15.581 -16.547 1.00 5.13 H new ATOM 0 HE1 HIS A 83 8.075 -18.998 -19.029 1.00 40.14 H new ATOM 0 HE2 HIS A 83 9.242 -16.765 -18.701 1.00 61.41 H new ATOM 1353 N PHE A 84 5.496 -17.100 -12.286 1.00 40.11 N ATOM 1354 CA PHE A 84 5.261 -16.351 -11.047 1.00 21.52 C ATOM 1355 C PHE A 84 5.733 -17.122 -9.800 1.00 52.31 C ATOM 1356 O PHE A 84 6.049 -16.519 -8.773 1.00 4.51 O ATOM 1357 CB PHE A 84 3.787 -15.924 -10.937 1.00 33.52 C ATOM 1358 CG PHE A 84 3.581 -14.468 -11.282 1.00 72.23 C ATOM 1359 CD1 PHE A 84 3.730 -14.011 -12.588 1.00 74.25 C ATOM 1360 CD2 PHE A 84 3.258 -13.552 -10.291 1.00 42.54 C ATOM 1361 CE1 PHE A 84 3.558 -12.675 -12.889 1.00 14.32 C ATOM 1362 CE2 PHE A 84 3.088 -12.216 -10.591 1.00 42.31 C ATOM 1363 CZ PHE A 84 3.236 -11.778 -11.890 1.00 5.45 C ATOM 0 H PHE A 84 4.653 -17.337 -12.810 1.00 40.11 H new ATOM 0 HA PHE A 84 5.867 -15.446 -11.092 1.00 21.52 H new ATOM 0 HB2 PHE A 84 3.182 -16.541 -11.602 1.00 33.52 H new ATOM 0 HB3 PHE A 84 3.433 -16.108 -9.922 1.00 33.52 H new ATOM 0 HD1 PHE A 84 3.983 -14.708 -13.373 1.00 74.25 H new ATOM 0 HD2 PHE A 84 3.138 -13.889 -9.272 1.00 42.54 H new ATOM 0 HE1 PHE A 84 3.675 -12.331 -13.906 1.00 14.32 H new ATOM 0 HE2 PHE A 84 2.839 -11.514 -9.809 1.00 42.31 H new ATOM 0 HZ PHE A 84 3.100 -10.733 -12.126 1.00 5.45 H new ATOM 1373 N LYS A 85 5.808 -18.447 -9.889 1.00 64.22 N ATOM 1374 CA LYS A 85 6.439 -19.229 -8.824 1.00 70.54 C ATOM 1375 C LYS A 85 7.953 -18.976 -8.816 1.00 14.25 C ATOM 1376 O LYS A 85 8.503 -18.485 -7.831 1.00 14.14 O ATOM 1377 CB LYS A 85 6.149 -20.732 -8.984 1.00 0.40 C ATOM 1378 CG LYS A 85 6.758 -21.596 -7.879 1.00 14.00 C ATOM 1379 CD LYS A 85 6.346 -23.063 -7.995 1.00 11.15 C ATOM 1380 CE LYS A 85 4.834 -23.242 -7.877 1.00 43.31 C ATOM 1381 NZ LYS A 85 4.441 -24.677 -7.864 1.00 32.33 N ATOM 0 H LYS A 85 5.448 -18.995 -10.670 1.00 64.22 H new ATOM 0 HA LYS A 85 6.016 -18.909 -7.872 1.00 70.54 H new ATOM 0 HB2 LYS A 85 5.070 -20.885 -9.000 1.00 0.40 H new ATOM 0 HB3 LYS A 85 6.533 -21.067 -9.948 1.00 0.40 H new ATOM 0 HG2 LYS A 85 7.845 -21.522 -7.921 1.00 14.00 H new ATOM 0 HG3 LYS A 85 6.449 -21.210 -6.908 1.00 14.00 H new ATOM 0 HD2 LYS A 85 6.685 -23.460 -8.952 1.00 11.15 H new ATOM 0 HD3 LYS A 85 6.842 -23.642 -7.216 1.00 11.15 H new ATOM 0 HE2 LYS A 85 4.482 -22.762 -6.964 1.00 43.31 H new ATOM 0 HE3 LYS A 85 4.343 -22.739 -8.711 1.00 43.31 H new ATOM 0 HZ1 LYS A 85 3.407 -24.753 -7.783 1.00 32.33 H new ATOM 0 HZ2 LYS A 85 4.753 -25.130 -8.746 1.00 32.33 H new ATOM 0 HZ3 LYS A 85 4.888 -25.152 -7.054 1.00 32.33 H new ATOM 1395 N GLU A 86 8.594 -19.269 -9.949 1.00 62.14 N ATOM 1396 CA GLU A 86 10.049 -19.123 -10.118 1.00 23.32 C ATOM 1397 C GLU A 86 10.527 -17.697 -9.772 1.00 4.23 C ATOM 1398 O GLU A 86 11.612 -17.504 -9.216 1.00 42.22 O ATOM 1399 CB GLU A 86 10.423 -19.448 -11.578 1.00 73.24 C ATOM 1400 CG GLU A 86 11.875 -19.871 -11.785 1.00 53.25 C ATOM 1401 CD GLU A 86 12.122 -21.325 -11.400 1.00 54.55 C ATOM 1402 OE1 GLU A 86 12.288 -21.605 -10.192 1.00 52.11 O ATOM 1403 OE2 GLU A 86 12.147 -22.188 -12.305 1.00 15.03 O ATOM 0 H GLU A 86 8.120 -19.617 -10.782 1.00 62.14 H new ATOM 0 HA GLU A 86 10.540 -19.814 -9.433 1.00 23.32 H new ATOM 0 HB2 GLU A 86 9.772 -20.245 -11.937 1.00 73.24 H new ATOM 0 HB3 GLU A 86 10.223 -18.571 -12.194 1.00 73.24 H new ATOM 0 HG2 GLU A 86 12.147 -19.725 -12.830 1.00 53.25 H new ATOM 0 HG3 GLU A 86 12.525 -19.227 -11.193 1.00 53.25 H new ATOM 1410 N PHE A 87 9.703 -16.708 -10.117 1.00 52.22 N ATOM 1411 CA PHE A 87 10.018 -15.294 -9.878 1.00 3.14 C ATOM 1412 C PHE A 87 9.738 -14.868 -8.422 1.00 61.23 C ATOM 1413 O PHE A 87 10.644 -14.412 -7.725 1.00 74.44 O ATOM 1414 CB PHE A 87 9.224 -14.393 -10.844 1.00 70.44 C ATOM 1415 CG PHE A 87 9.818 -14.278 -12.234 1.00 60.01 C ATOM 1416 CD1 PHE A 87 9.882 -15.376 -13.082 1.00 4.41 C ATOM 1417 CD2 PHE A 87 10.310 -13.060 -12.692 1.00 14.24 C ATOM 1418 CE1 PHE A 87 10.421 -15.262 -14.350 1.00 32.23 C ATOM 1419 CE2 PHE A 87 10.848 -12.942 -13.960 1.00 24.44 C ATOM 1420 CZ PHE A 87 10.904 -14.044 -14.790 1.00 3.43 C ATOM 0 H PHE A 87 8.801 -16.860 -10.568 1.00 52.22 H new ATOM 0 HA PHE A 87 11.086 -15.174 -10.059 1.00 3.14 H new ATOM 0 HB2 PHE A 87 8.208 -14.780 -10.928 1.00 70.44 H new ATOM 0 HB3 PHE A 87 9.150 -13.395 -10.411 1.00 70.44 H new ATOM 0 HD1 PHE A 87 9.506 -16.331 -12.747 1.00 4.41 H new ATOM 0 HD2 PHE A 87 10.271 -12.194 -12.048 1.00 14.24 H new ATOM 0 HE1 PHE A 87 10.465 -16.125 -14.997 1.00 32.23 H new ATOM 0 HE2 PHE A 87 11.224 -11.989 -14.301 1.00 24.44 H new ATOM 0 HZ PHE A 87 11.324 -13.954 -15.781 1.00 3.43 H new ATOM 1430 N CYS A 88 8.483 -14.988 -7.970 1.00 61.45 N ATOM 1431 CA CYS A 88 8.097 -14.493 -6.630 1.00 13.21 C ATOM 1432 C CYS A 88 7.842 -15.617 -5.600 1.00 41.01 C ATOM 1433 O CYS A 88 8.262 -15.509 -4.447 1.00 43.02 O ATOM 1434 CB CYS A 88 6.866 -13.577 -6.728 1.00 70.22 C ATOM 1435 SG CYS A 88 5.376 -14.362 -7.396 1.00 22.31 S ATOM 0 H CYS A 88 7.723 -15.416 -8.499 1.00 61.45 H new ATOM 0 HA CYS A 88 8.953 -13.927 -6.262 1.00 13.21 H new ATOM 0 HB2 CYS A 88 6.640 -13.190 -5.734 1.00 70.22 H new ATOM 0 HB3 CYS A 88 7.118 -12.721 -7.353 1.00 70.22 H new ATOM 0 HG CYS A 88 5.689 -15.507 -7.927 1.00 22.31 H new ATOM 1441 N TYR A 89 7.194 -16.711 -6.016 1.00 23.11 N ATOM 1442 CA TYR A 89 6.750 -17.762 -5.073 1.00 25.01 C ATOM 1443 C TYR A 89 7.822 -18.864 -4.944 1.00 3.41 C ATOM 1444 O TYR A 89 7.531 -20.061 -4.957 1.00 63.42 O ATOM 1445 CB TYR A 89 5.397 -18.340 -5.534 1.00 54.43 C ATOM 1446 CG TYR A 89 4.771 -19.338 -4.569 1.00 22.01 C ATOM 1447 CD1 TYR A 89 4.337 -18.942 -3.309 1.00 55.53 C ATOM 1448 CD2 TYR A 89 4.614 -20.676 -4.922 1.00 62.42 C ATOM 1449 CE1 TYR A 89 3.770 -19.845 -2.430 1.00 23.33 C ATOM 1450 CE2 TYR A 89 4.047 -21.583 -4.049 1.00 62.21 C ATOM 1451 CZ TYR A 89 3.626 -21.162 -2.805 1.00 35.51 C ATOM 1452 OH TYR A 89 3.058 -22.062 -1.932 1.00 43.10 O ATOM 0 H TYR A 89 6.963 -16.898 -6.992 1.00 23.11 H new ATOM 0 HA TYR A 89 6.614 -17.323 -4.085 1.00 25.01 H new ATOM 0 HB2 TYR A 89 4.699 -17.517 -5.688 1.00 54.43 H new ATOM 0 HB3 TYR A 89 5.535 -18.826 -6.500 1.00 54.43 H new ATOM 0 HD1 TYR A 89 4.445 -17.909 -3.012 1.00 55.53 H new ATOM 0 HD2 TYR A 89 4.941 -21.010 -5.895 1.00 62.42 H new ATOM 0 HE1 TYR A 89 3.442 -19.519 -1.454 1.00 23.33 H new ATOM 0 HE2 TYR A 89 3.934 -22.617 -4.339 1.00 62.21 H new ATOM 0 HH TYR A 89 3.028 -22.948 -2.349 1.00 43.10 H new ATOM 1462 N LYS A 90 9.066 -18.425 -4.798 1.00 12.14 N ATOM 1463 CA LYS A 90 10.237 -19.309 -4.857 1.00 2.02 C ATOM 1464 C LYS A 90 10.202 -20.446 -3.815 1.00 52.51 C ATOM 1465 O LYS A 90 10.247 -21.619 -4.177 1.00 33.41 O ATOM 1466 CB LYS A 90 11.509 -18.475 -4.660 1.00 33.40 C ATOM 1467 CG LYS A 90 12.763 -19.118 -5.234 1.00 64.42 C ATOM 1468 CD LYS A 90 12.646 -19.301 -6.740 1.00 74.23 C ATOM 1469 CE LYS A 90 13.953 -19.759 -7.364 1.00 21.04 C ATOM 1470 NZ LYS A 90 13.822 -19.909 -8.834 1.00 20.31 N ATOM 0 H LYS A 90 9.298 -17.445 -4.635 1.00 12.14 H new ATOM 0 HA LYS A 90 10.226 -19.784 -5.838 1.00 2.02 H new ATOM 0 HB2 LYS A 90 11.368 -17.499 -5.125 1.00 33.40 H new ATOM 0 HB3 LYS A 90 11.657 -18.302 -3.594 1.00 33.40 H new ATOM 0 HG2 LYS A 90 13.630 -18.498 -5.006 1.00 64.42 H new ATOM 0 HG3 LYS A 90 12.929 -20.085 -4.759 1.00 64.42 H new ATOM 0 HD2 LYS A 90 11.866 -20.031 -6.956 1.00 74.23 H new ATOM 0 HD3 LYS A 90 12.337 -18.360 -7.196 1.00 74.23 H new ATOM 0 HE2 LYS A 90 14.739 -19.039 -7.138 1.00 21.04 H new ATOM 0 HE3 LYS A 90 14.256 -20.709 -6.924 1.00 21.04 H new ATOM 0 HZ1 LYS A 90 14.730 -20.223 -9.233 1.00 20.31 H new ATOM 0 HZ2 LYS A 90 13.088 -20.614 -9.047 1.00 20.31 H new ATOM 0 HZ3 LYS A 90 13.556 -18.995 -9.254 1.00 20.31 H new ATOM 1484 N THR A 91 10.155 -20.071 -2.529 1.00 62.20 N ATOM 1485 CA THR A 91 10.229 -21.005 -1.377 1.00 43.23 C ATOM 1486 C THR A 91 11.666 -21.523 -1.156 1.00 43.53 C ATOM 1487 O THR A 91 12.116 -21.652 -0.016 1.00 41.11 O ATOM 1488 CB THR A 91 9.217 -22.198 -1.450 1.00 22.22 C ATOM 1489 OG1 THR A 91 8.734 -22.506 -0.129 1.00 70.01 O ATOM 1490 CG2 THR A 91 9.836 -23.466 -2.040 1.00 44.03 C ATOM 0 H THR A 91 10.063 -19.095 -2.246 1.00 62.20 H new ATOM 0 HA THR A 91 9.930 -20.410 -0.514 1.00 43.23 H new ATOM 0 HB THR A 91 8.406 -21.879 -2.105 1.00 22.22 H new ATOM 0 HG1 THR A 91 8.100 -23.252 -0.178 1.00 70.01 H new ATOM 0 HG21 THR A 91 9.088 -24.258 -2.065 1.00 44.03 H new ATOM 0 HG22 THR A 91 10.185 -23.263 -3.053 1.00 44.03 H new ATOM 0 HG23 THR A 91 10.677 -23.781 -1.423 1.00 44.03 H new ATOM 1498 N SER A 92 12.378 -21.833 -2.242 1.00 0.33 N ATOM 1499 CA SER A 92 13.815 -22.151 -2.173 1.00 63.24 C ATOM 1500 C SER A 92 14.615 -21.328 -3.197 1.00 52.35 C ATOM 1501 O SER A 92 14.710 -21.696 -4.366 1.00 62.15 O ATOM 1502 CB SER A 92 14.059 -23.651 -2.395 1.00 72.33 C ATOM 1503 OG SER A 92 13.489 -24.430 -1.350 1.00 72.11 O ATOM 0 H SER A 92 11.986 -21.872 -3.183 1.00 0.33 H new ATOM 0 HA SER A 92 14.161 -21.888 -1.173 1.00 63.24 H new ATOM 0 HB2 SER A 92 13.631 -23.953 -3.351 1.00 72.33 H new ATOM 0 HB3 SER A 92 15.131 -23.843 -2.451 1.00 72.33 H new ATOM 0 HG SER A 92 13.659 -25.380 -1.520 1.00 72.11 H new ATOM 1509 N ALA A 93 15.190 -20.214 -2.748 1.00 60.33 N ATOM 1510 CA ALA A 93 15.949 -19.310 -3.626 1.00 21.43 C ATOM 1511 C ALA A 93 17.323 -19.882 -4.009 1.00 12.45 C ATOM 1512 O ALA A 93 17.926 -19.472 -5.000 1.00 3.40 O ATOM 1513 CB ALA A 93 16.118 -17.953 -2.951 1.00 23.15 C ATOM 0 H ALA A 93 15.147 -19.910 -1.775 1.00 60.33 H new ATOM 0 HA ALA A 93 15.379 -19.197 -4.548 1.00 21.43 H new ATOM 0 HB1 ALA A 93 16.681 -17.288 -3.606 1.00 23.15 H new ATOM 0 HB2 ALA A 93 15.137 -17.521 -2.752 1.00 23.15 H new ATOM 0 HB3 ALA A 93 16.657 -18.078 -2.012 1.00 23.15 H new