USER MOD reduce.3.24.130724 H: found=0, std=0, add=571, rem=0, adj=27 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 39 THR OG1 : rot 180:sc= -1.43 USER MOD Set 1.2: A 44 TYR OH : rot -170:sc= 1.44 USER MOD Set 1.3: A 83 HIS : no HE2:sc= 0.0278 K(o=0.034,f=-8!) USER MOD Set 2.1: A 8 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0118) USER MOD Set 2.2: A 9 ASN :FLIP amide:sc= -4.4 F(o=-5.2!,f=-4.4) USER MOD Set 3.1: A 4 MET CE :methyl 149:sc= -0.122 (180deg=-0.715) USER MOD Set 3.2: A 5 GLN : amide:sc= -2.51 X(o=-2.4,f=-2.7!) USER MOD Set 3.3: A 22 GLN : amide:sc= 0.216 K(o=-2.4,f=-8.4) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 6 ASN : amide:sc=-0.00883 X(o=-0.0088,f=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -3.19! C(o=-3.2!,f=-12!) USER MOD Single : A 12 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 17 SER OG : rot 66:sc= 0.0562 USER MOD Single : A 19 TYR OH : rot 0:sc= -1.16 USER MOD Single : A 20 MET CE :methyl 162:sc= -0.214 (180deg=-0.769) USER MOD Single : A 21 SER OG : rot 81:sc= 0.808 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 152:sc= 0.0881 USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 34 THR OG1 : rot -74:sc= 0.758 USER MOD Single : A 35 THR OG1 : rot 85:sc= 1.06 USER MOD Single : A 36 LYS NZ :NH3+ -139:sc= 1.97 (180deg=0.323) USER MOD Single : A 43 TYR OH : rot 88:sc= -0.847 USER MOD Single : A 72 LYS NZ :NH3+ -173:sc= -0.0106 (180deg=-0.0843) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0746) USER MOD Single : A 85 LYS NZ :NH3+ -169:sc= -0.0158 (180deg=-0.135) USER MOD Single : A 88 CYS SG : rot -4:sc= -4.22! USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -130:sc= -1.85! (180deg=-4.61!) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.529 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N SER A 2 -7.869 -6.374 -1.910 1.00 30.55 N ATOM 21 CA SER A 2 -8.187 -7.652 -2.605 1.00 50.40 C ATOM 22 C SER A 2 -8.303 -7.494 -4.136 1.00 65.10 C ATOM 23 O SER A 2 -7.934 -8.401 -4.890 1.00 71.23 O ATOM 24 CB SER A 2 -9.464 -8.324 -2.050 1.00 22.22 C ATOM 25 OG SER A 2 -10.654 -7.718 -2.539 1.00 31.24 O ATOM 0 HA SER A 2 -7.337 -8.302 -2.399 1.00 50.40 H new ATOM 0 HB2 SER A 2 -9.461 -9.380 -2.319 1.00 22.22 H new ATOM 0 HB3 SER A 2 -9.454 -8.272 -0.961 1.00 22.22 H new ATOM 0 HG SER A 2 -11.434 -8.177 -2.162 1.00 31.24 H new ATOM 31 N TRP A 3 -8.795 -6.343 -4.598 1.00 23.43 N ATOM 32 CA TRP A 3 -8.966 -6.088 -6.033 1.00 4.52 C ATOM 33 C TRP A 3 -7.631 -6.007 -6.786 1.00 41.12 C ATOM 34 O TRP A 3 -7.617 -5.963 -8.011 1.00 35.31 O ATOM 35 CB TRP A 3 -9.790 -4.813 -6.263 1.00 55.03 C ATOM 36 CG TRP A 3 -11.249 -4.996 -5.968 1.00 12.03 C ATOM 37 CD1 TRP A 3 -12.114 -5.819 -6.630 1.00 54.34 C ATOM 38 CD2 TRP A 3 -12.014 -4.346 -4.949 1.00 32.41 C ATOM 39 NE1 TRP A 3 -13.368 -5.722 -6.086 1.00 14.02 N ATOM 40 CE2 TRP A 3 -13.334 -4.825 -5.051 1.00 30.52 C ATOM 41 CE3 TRP A 3 -11.712 -3.408 -3.959 1.00 0.31 C ATOM 42 CZ2 TRP A 3 -14.349 -4.395 -4.201 1.00 11.43 C ATOM 43 CZ3 TRP A 3 -12.721 -2.983 -3.116 1.00 2.10 C ATOM 44 CH2 TRP A 3 -14.025 -3.477 -3.242 1.00 3.25 C ATOM 0 H TRP A 3 -9.083 -5.570 -3.999 1.00 23.43 H new ATOM 0 HA TRP A 3 -9.507 -6.942 -6.439 1.00 4.52 H new ATOM 0 HB2 TRP A 3 -9.396 -4.014 -5.635 1.00 55.03 H new ATOM 0 HB3 TRP A 3 -9.672 -4.493 -7.298 1.00 55.03 H new ATOM 0 HD1 TRP A 3 -11.848 -6.454 -7.462 1.00 54.34 H new ATOM 0 HE1 TRP A 3 -14.192 -6.234 -6.400 1.00 14.02 H new ATOM 0 HE3 TRP A 3 -10.709 -3.022 -3.854 1.00 0.31 H new ATOM 0 HZ2 TRP A 3 -15.356 -4.773 -4.296 1.00 11.43 H new ATOM 0 HZ3 TRP A 3 -12.500 -2.258 -2.347 1.00 2.10 H new ATOM 0 HH2 TRP A 3 -14.791 -3.125 -2.567 1.00 3.25 H new ATOM 55 N MET A 4 -6.512 -5.985 -6.066 1.00 61.32 N ATOM 56 CA MET A 4 -5.194 -6.058 -6.707 1.00 51.05 C ATOM 57 C MET A 4 -5.064 -7.361 -7.514 1.00 32.42 C ATOM 58 O MET A 4 -5.028 -7.349 -8.749 1.00 11.13 O ATOM 59 CB MET A 4 -4.079 -5.990 -5.656 1.00 63.25 C ATOM 60 CG MET A 4 -2.677 -5.910 -6.251 1.00 52.51 C ATOM 61 SD MET A 4 -1.386 -6.268 -5.048 1.00 2.25 S ATOM 62 CE MET A 4 -1.682 -8.013 -4.759 1.00 53.21 C ATOM 0 H MET A 4 -6.487 -5.918 -5.049 1.00 61.32 H new ATOM 0 HA MET A 4 -5.096 -5.208 -7.382 1.00 51.05 H new ATOM 0 HB2 MET A 4 -4.244 -5.120 -5.020 1.00 63.25 H new ATOM 0 HB3 MET A 4 -4.142 -6.870 -5.015 1.00 63.25 H new ATOM 0 HG2 MET A 4 -2.599 -6.613 -7.081 1.00 52.51 H new ATOM 0 HG3 MET A 4 -2.518 -4.913 -6.662 1.00 52.51 H new ATOM 0 HE1 MET A 4 -0.740 -8.507 -4.521 1.00 53.21 H new ATOM 0 HE2 MET A 4 -2.374 -8.131 -3.925 1.00 53.21 H new ATOM 0 HE3 MET A 4 -2.112 -8.462 -5.654 1.00 53.21 H new ATOM 72 N GLN A 5 -5.014 -8.489 -6.801 1.00 20.42 N ATOM 73 CA GLN A 5 -4.966 -9.808 -7.437 1.00 32.53 C ATOM 74 C GLN A 5 -6.223 -10.049 -8.287 1.00 61.40 C ATOM 75 O GLN A 5 -6.148 -10.595 -9.383 1.00 12.40 O ATOM 76 CB GLN A 5 -4.842 -10.909 -6.370 1.00 41.40 C ATOM 77 CG GLN A 5 -4.685 -12.323 -6.931 1.00 22.02 C ATOM 78 CD GLN A 5 -3.328 -12.563 -7.579 1.00 53.10 C ATOM 79 OE1 GLN A 5 -3.134 -12.328 -8.766 1.00 31.30 O ATOM 80 NE2 GLN A 5 -2.382 -13.046 -6.801 1.00 22.01 N ATOM 0 H GLN A 5 -5.006 -8.515 -5.781 1.00 20.42 H new ATOM 0 HA GLN A 5 -4.093 -9.839 -8.088 1.00 32.53 H new ATOM 0 HB2 GLN A 5 -3.984 -10.687 -5.735 1.00 41.40 H new ATOM 0 HB3 GLN A 5 -5.726 -10.881 -5.733 1.00 41.40 H new ATOM 0 HG2 GLN A 5 -4.829 -13.044 -6.127 1.00 22.02 H new ATOM 0 HG3 GLN A 5 -5.469 -12.505 -7.666 1.00 22.02 H new ATOM 0 HE21 GLN A 5 -2.576 -13.231 -5.817 1.00 22.01 H new ATOM 0 HE22 GLN A 5 -1.455 -13.235 -7.182 1.00 22.01 H new ATOM 89 N ASN A 6 -7.378 -9.621 -7.775 1.00 53.01 N ATOM 90 CA ASN A 6 -8.654 -9.815 -8.473 1.00 72.01 C ATOM 91 C ASN A 6 -8.669 -9.114 -9.848 1.00 65.44 C ATOM 92 O ASN A 6 -9.139 -9.682 -10.835 1.00 21.30 O ATOM 93 CB ASN A 6 -9.812 -9.320 -7.599 1.00 24.12 C ATOM 94 CG ASN A 6 -11.170 -9.591 -8.222 1.00 73.14 C ATOM 95 OD1 ASN A 6 -11.742 -10.661 -8.049 1.00 60.21 O ATOM 96 ND2 ASN A 6 -11.699 -8.622 -8.940 1.00 75.32 N ATOM 0 H ASN A 6 -7.458 -9.138 -6.880 1.00 53.01 H new ATOM 0 HA ASN A 6 -8.777 -10.883 -8.655 1.00 72.01 H new ATOM 0 HB2 ASN A 6 -9.760 -9.805 -6.624 1.00 24.12 H new ATOM 0 HB3 ASN A 6 -9.702 -8.249 -7.428 1.00 24.12 H new ATOM 0 HD21 ASN A 6 -12.614 -8.749 -9.373 1.00 75.32 H new ATOM 0 HD22 ASN A 6 -11.194 -7.744 -9.063 1.00 75.32 H new ATOM 103 N LEU A 7 -8.145 -7.886 -9.913 1.00 73.33 N ATOM 104 CA LEU A 7 -8.054 -7.152 -11.187 1.00 41.40 C ATOM 105 C LEU A 7 -7.115 -7.878 -12.154 1.00 71.12 C ATOM 106 O LEU A 7 -7.385 -7.966 -13.352 1.00 2.21 O ATOM 107 CB LEU A 7 -7.566 -5.712 -10.961 1.00 31.02 C ATOM 108 CG LEU A 7 -7.500 -4.831 -12.223 1.00 14.31 C ATOM 109 CD1 LEU A 7 -8.877 -4.711 -12.874 1.00 52.13 C ATOM 110 CD2 LEU A 7 -6.937 -3.452 -11.889 1.00 33.14 C ATOM 0 H LEU A 7 -7.779 -7.379 -9.107 1.00 73.33 H new ATOM 0 HA LEU A 7 -9.052 -7.111 -11.624 1.00 41.40 H new ATOM 0 HB2 LEU A 7 -8.225 -5.232 -10.238 1.00 31.02 H new ATOM 0 HB3 LEU A 7 -6.573 -5.749 -10.512 1.00 31.02 H new ATOM 0 HG LEU A 7 -6.829 -5.309 -12.937 1.00 14.31 H new ATOM 0 HD11 LEU A 7 -8.806 -4.084 -13.763 1.00 52.13 H new ATOM 0 HD12 LEU A 7 -9.234 -5.702 -13.156 1.00 52.13 H new ATOM 0 HD13 LEU A 7 -9.575 -4.261 -12.168 1.00 52.13 H new ATOM 0 HD21 LEU A 7 -6.899 -2.846 -12.794 1.00 33.14 H new ATOM 0 HD22 LEU A 7 -7.578 -2.966 -11.153 1.00 33.14 H new ATOM 0 HD23 LEU A 7 -5.932 -3.558 -11.481 1.00 33.14 H new ATOM 122 N LYS A 8 -6.011 -8.394 -11.623 1.00 43.24 N ATOM 123 CA LYS A 8 -5.108 -9.249 -12.397 1.00 64.54 C ATOM 124 C LYS A 8 -5.853 -10.493 -12.915 1.00 33.03 C ATOM 125 O LYS A 8 -5.710 -10.879 -14.074 1.00 21.30 O ATOM 126 CB LYS A 8 -3.893 -9.648 -11.528 1.00 63.13 C ATOM 127 CG LYS A 8 -2.936 -10.668 -12.163 1.00 25.11 C ATOM 128 CD LYS A 8 -3.420 -12.109 -11.987 1.00 33.05 C ATOM 129 CE LYS A 8 -2.510 -13.119 -12.673 1.00 4.44 C ATOM 130 NZ LYS A 8 -3.076 -14.490 -12.592 1.00 1.02 N ATOM 0 H LYS A 8 -5.717 -8.237 -10.659 1.00 43.24 H new ATOM 0 HA LYS A 8 -4.747 -8.695 -13.263 1.00 64.54 H new ATOM 0 HB2 LYS A 8 -3.329 -8.747 -11.287 1.00 63.13 H new ATOM 0 HB3 LYS A 8 -4.260 -10.056 -10.586 1.00 63.13 H new ATOM 0 HG2 LYS A 8 -2.830 -10.450 -13.226 1.00 25.11 H new ATOM 0 HG3 LYS A 8 -1.948 -10.562 -11.716 1.00 25.11 H new ATOM 0 HD2 LYS A 8 -3.479 -12.342 -10.924 1.00 33.05 H new ATOM 0 HD3 LYS A 8 -4.429 -12.202 -12.390 1.00 33.05 H new ATOM 0 HE2 LYS A 8 -2.374 -12.840 -13.718 1.00 4.44 H new ATOM 0 HE3 LYS A 8 -1.525 -13.101 -12.207 1.00 4.44 H new ATOM 0 HZ1 LYS A 8 -2.471 -15.147 -13.125 1.00 1.02 H new ATOM 0 HZ2 LYS A 8 -3.120 -14.789 -11.597 1.00 1.02 H new ATOM 0 HZ3 LYS A 8 -4.034 -14.495 -12.997 1.00 1.02 H new ATOM 144 N ASN A 9 -6.655 -11.104 -12.046 1.00 42.03 N ATOM 145 CA ASN A 9 -7.369 -12.345 -12.376 1.00 63.23 C ATOM 146 C ASN A 9 -8.505 -12.122 -13.386 1.00 42.34 C ATOM 147 O ASN A 9 -8.998 -13.078 -13.992 1.00 61.10 O ATOM 148 CB ASN A 9 -7.918 -12.992 -11.103 1.00 30.43 C ATOM 149 CG ASN A 9 -6.813 -13.404 -10.151 1.00 31.01 C ATOM 150 OD1 ASN A 9 -7.107 -13.408 -8.872 1.00 70.41 O flip ATOM 151 ND2 ASN A 9 -5.703 -13.722 -10.564 1.00 60.43 N flip ATOM 0 H ASN A 9 -6.830 -10.761 -11.102 1.00 42.03 H new ATOM 0 HA ASN A 9 -6.647 -13.013 -12.846 1.00 63.23 H new ATOM 0 HB2 ASN A 9 -8.587 -12.293 -10.601 1.00 30.43 H new ATOM 0 HB3 ASN A 9 -8.512 -13.866 -11.368 1.00 30.43 H new ATOM 0 HD21 ASN A 9 -5.508 -13.708 -11.565 1.00 60.43 H new ATOM 0 HD22 ASN A 9 -4.975 -14.001 -9.906 1.00 60.43 H new ATOM 158 N TYR A 10 -8.920 -10.865 -13.559 1.00 3.43 N ATOM 159 CA TYR A 10 -9.912 -10.503 -14.585 1.00 75.35 C ATOM 160 C TYR A 10 -9.477 -11.010 -15.973 1.00 11.22 C ATOM 161 O TYR A 10 -10.309 -11.372 -16.813 1.00 72.45 O ATOM 162 CB TYR A 10 -10.109 -8.977 -14.603 1.00 33.41 C ATOM 163 CG TYR A 10 -11.008 -8.471 -15.720 1.00 25.04 C ATOM 164 CD1 TYR A 10 -12.395 -8.563 -15.630 1.00 11.34 C ATOM 165 CD2 TYR A 10 -10.465 -7.902 -16.869 1.00 73.21 C ATOM 166 CE1 TYR A 10 -13.207 -8.103 -16.651 1.00 4.12 C ATOM 167 CE2 TYR A 10 -11.270 -7.442 -17.889 1.00 51.45 C ATOM 168 CZ TYR A 10 -12.638 -7.544 -17.778 1.00 72.24 C ATOM 169 OH TYR A 10 -13.439 -7.082 -18.800 1.00 44.03 O ATOM 0 H TYR A 10 -8.587 -10.077 -13.003 1.00 3.43 H new ATOM 0 HA TYR A 10 -10.860 -10.980 -14.338 1.00 75.35 H new ATOM 0 HB2 TYR A 10 -10.529 -8.666 -13.646 1.00 33.41 H new ATOM 0 HB3 TYR A 10 -9.134 -8.498 -14.693 1.00 33.41 H new ATOM 0 HD1 TYR A 10 -12.843 -9.000 -14.750 1.00 11.34 H new ATOM 0 HD2 TYR A 10 -9.392 -7.819 -16.963 1.00 73.21 H new ATOM 0 HE1 TYR A 10 -14.281 -8.181 -16.567 1.00 4.12 H new ATOM 0 HE2 TYR A 10 -10.829 -7.003 -18.772 1.00 51.45 H new ATOM 0 HH TYR A 10 -12.878 -6.718 -19.517 1.00 44.03 H new ATOM 179 N GLN A 11 -8.164 -11.041 -16.194 1.00 2.45 N ATOM 180 CA GLN A 11 -7.581 -11.564 -17.435 1.00 52.13 C ATOM 181 C GLN A 11 -6.234 -12.259 -17.151 1.00 22.10 C ATOM 182 O GLN A 11 -5.925 -12.577 -16.005 1.00 52.13 O ATOM 183 CB GLN A 11 -7.408 -10.432 -18.466 1.00 73.14 C ATOM 184 CG GLN A 11 -6.367 -9.371 -18.101 1.00 43.33 C ATOM 185 CD GLN A 11 -6.749 -8.520 -16.901 1.00 61.34 C ATOM 186 OE1 GLN A 11 -7.408 -7.497 -17.034 1.00 2.42 O ATOM 187 NE2 GLN A 11 -6.319 -8.918 -15.723 1.00 61.35 N ATOM 0 H GLN A 11 -7.474 -10.706 -15.522 1.00 2.45 H new ATOM 0 HA GLN A 11 -8.262 -12.305 -17.853 1.00 52.13 H new ATOM 0 HB2 GLN A 11 -7.133 -10.874 -19.424 1.00 73.14 H new ATOM 0 HB3 GLN A 11 -8.371 -9.940 -18.607 1.00 73.14 H new ATOM 0 HG2 GLN A 11 -5.417 -9.864 -17.897 1.00 43.33 H new ATOM 0 HG3 GLN A 11 -6.210 -8.720 -18.961 1.00 43.33 H new ATOM 0 HE21 GLN A 11 -5.772 -9.775 -15.643 1.00 61.35 H new ATOM 0 HE22 GLN A 11 -6.533 -8.370 -14.890 1.00 61.35 H new ATOM 196 N HIS A 12 -5.443 -12.519 -18.189 1.00 21.01 N ATOM 197 CA HIS A 12 -4.115 -13.126 -18.007 1.00 32.45 C ATOM 198 C HIS A 12 -3.010 -12.065 -17.862 1.00 14.11 C ATOM 199 O HIS A 12 -1.996 -12.306 -17.207 1.00 1.12 O ATOM 200 CB HIS A 12 -3.792 -14.072 -19.170 1.00 4.35 C ATOM 201 CG HIS A 12 -4.590 -15.344 -19.145 1.00 74.51 C ATOM 202 ND1 HIS A 12 -5.696 -15.564 -19.941 1.00 23.44 N ATOM 203 CD2 HIS A 12 -4.428 -16.476 -18.417 1.00 14.01 C ATOM 204 CE1 HIS A 12 -6.176 -16.768 -19.703 1.00 22.11 C ATOM 205 NE2 HIS A 12 -5.427 -17.340 -18.787 1.00 21.42 N ATOM 0 H HIS A 12 -5.690 -12.323 -19.159 1.00 21.01 H new ATOM 0 HA HIS A 12 -4.146 -13.697 -17.079 1.00 32.45 H new ATOM 0 HB2 HIS A 12 -3.977 -13.555 -20.111 1.00 4.35 H new ATOM 0 HB3 HIS A 12 -2.730 -14.318 -19.144 1.00 4.35 H new ATOM 0 HD2 HIS A 12 -3.657 -16.662 -17.684 1.00 14.01 H new ATOM 0 HE1 HIS A 12 -7.039 -17.210 -20.180 1.00 22.11 H new ATOM 0 HE2 HIS A 12 -5.566 -18.278 -18.411 1.00 21.42 H new ATOM 214 N LEU A 13 -3.203 -10.896 -18.478 1.00 0.41 N ATOM 215 CA LEU A 13 -2.229 -9.799 -18.364 1.00 35.44 C ATOM 216 C LEU A 13 -2.909 -8.417 -18.322 1.00 62.54 C ATOM 217 O LEU A 13 -3.811 -8.118 -19.107 1.00 73.41 O ATOM 218 CB LEU A 13 -1.185 -9.887 -19.499 1.00 51.44 C ATOM 219 CG LEU A 13 -1.733 -9.966 -20.945 1.00 62.53 C ATOM 220 CD1 LEU A 13 -2.019 -8.575 -21.513 1.00 35.24 C ATOM 221 CD2 LEU A 13 -0.764 -10.727 -21.850 1.00 40.11 C ATOM 0 H LEU A 13 -4.016 -10.682 -19.056 1.00 0.41 H new ATOM 0 HA LEU A 13 -1.711 -9.914 -17.412 1.00 35.44 H new ATOM 0 HB2 LEU A 13 -0.533 -9.016 -19.430 1.00 51.44 H new ATOM 0 HB3 LEU A 13 -0.564 -10.765 -19.322 1.00 51.44 H new ATOM 0 HG LEU A 13 -2.676 -10.511 -20.910 1.00 62.53 H new ATOM 0 HD11 LEU A 13 -2.402 -8.669 -22.529 1.00 35.24 H new ATOM 0 HD12 LEU A 13 -2.760 -8.073 -20.891 1.00 35.24 H new ATOM 0 HD13 LEU A 13 -1.099 -7.991 -21.525 1.00 35.24 H new ATOM 0 HD21 LEU A 13 -1.169 -10.771 -22.861 1.00 40.11 H new ATOM 0 HD22 LEU A 13 0.198 -10.214 -21.866 1.00 40.11 H new ATOM 0 HD23 LEU A 13 -0.629 -11.739 -21.469 1.00 40.11 H new ATOM 233 N ARG A 14 -2.469 -7.588 -17.378 1.00 21.21 N ATOM 234 CA ARG A 14 -3.020 -6.241 -17.177 1.00 32.44 C ATOM 235 C ARG A 14 -1.883 -5.203 -17.164 1.00 62.40 C ATOM 236 O ARG A 14 -0.706 -5.565 -17.161 1.00 63.10 O ATOM 237 CB ARG A 14 -3.794 -6.212 -15.843 1.00 63.31 C ATOM 238 CG ARG A 14 -4.583 -4.928 -15.550 1.00 13.41 C ATOM 239 CD ARG A 14 -5.867 -4.812 -16.375 1.00 52.23 C ATOM 240 NE ARG A 14 -5.641 -4.257 -17.711 1.00 64.01 N ATOM 241 CZ ARG A 14 -6.377 -4.534 -18.753 1.00 73.31 C ATOM 242 NH1 ARG A 14 -7.320 -5.419 -18.676 1.00 24.32 N ATOM 243 NH2 ARG A 14 -6.156 -3.927 -19.875 1.00 72.43 N ATOM 0 H ARG A 14 -1.720 -7.827 -16.728 1.00 21.21 H new ATOM 0 HA ARG A 14 -3.698 -5.993 -17.993 1.00 32.44 H new ATOM 0 HB2 ARG A 14 -4.488 -7.052 -15.830 1.00 63.31 H new ATOM 0 HB3 ARG A 14 -3.085 -6.372 -15.031 1.00 63.31 H new ATOM 0 HG2 ARG A 14 -4.835 -4.897 -14.490 1.00 13.41 H new ATOM 0 HG3 ARG A 14 -3.949 -4.065 -15.752 1.00 13.41 H new ATOM 0 HD2 ARG A 14 -6.322 -5.798 -16.469 1.00 52.23 H new ATOM 0 HD3 ARG A 14 -6.579 -4.182 -15.842 1.00 52.23 H new ATOM 0 HE ARG A 14 -4.859 -3.614 -17.835 1.00 64.01 H new ATOM 0 HH11 ARG A 14 -7.492 -5.906 -17.796 1.00 24.32 H new ATOM 0 HH12 ARG A 14 -7.890 -5.629 -19.495 1.00 24.32 H new ATOM 0 HH21 ARG A 14 -5.409 -3.235 -19.942 1.00 72.43 H new ATOM 0 HH22 ARG A 14 -6.729 -4.140 -20.692 1.00 72.43 H new ATOM 257 N ASP A 15 -2.234 -3.918 -17.172 1.00 20.24 N ATOM 258 CA ASP A 15 -1.241 -2.840 -17.082 1.00 4.00 C ATOM 259 C ASP A 15 -0.503 -2.912 -15.732 1.00 53.14 C ATOM 260 O ASP A 15 -1.097 -2.601 -14.705 1.00 23.14 O ATOM 261 CB ASP A 15 -1.940 -1.486 -17.241 1.00 41.35 C ATOM 262 CG ASP A 15 -2.968 -1.511 -18.357 1.00 74.21 C ATOM 263 OD1 ASP A 15 -2.607 -1.248 -19.521 1.00 51.41 O ATOM 264 OD2 ASP A 15 -4.144 -1.825 -18.076 1.00 62.40 O ATOM 0 H ASP A 15 -3.199 -3.594 -17.240 1.00 20.24 H new ATOM 0 HA ASP A 15 -0.508 -2.955 -17.880 1.00 4.00 H new ATOM 0 HB2 ASP A 15 -2.427 -1.216 -16.304 1.00 41.35 H new ATOM 0 HB3 ASP A 15 -1.197 -0.715 -17.448 1.00 41.35 H new ATOM 269 N PRO A 16 0.803 -3.290 -15.747 1.00 31.31 N ATOM 270 CA PRO A 16 1.584 -3.723 -14.545 1.00 42.44 C ATOM 271 C PRO A 16 1.557 -2.784 -13.312 1.00 44.12 C ATOM 272 O PRO A 16 2.606 -2.384 -12.799 1.00 32.44 O ATOM 273 CB PRO A 16 3.018 -3.832 -15.092 1.00 12.10 C ATOM 274 CG PRO A 16 2.842 -4.126 -16.540 1.00 4.43 C ATOM 275 CD PRO A 16 1.640 -3.330 -16.967 1.00 4.04 C ATOM 0 HA PRO A 16 1.148 -4.637 -14.143 1.00 42.44 H new ATOM 0 HB2 PRO A 16 3.573 -2.906 -14.939 1.00 12.10 H new ATOM 0 HB3 PRO A 16 3.575 -4.624 -14.591 1.00 12.10 H new ATOM 0 HG2 PRO A 16 3.726 -3.838 -17.109 1.00 4.43 H new ATOM 0 HG3 PRO A 16 2.687 -5.192 -16.708 1.00 4.43 H new ATOM 0 HD2 PRO A 16 1.918 -2.329 -17.297 1.00 4.04 H new ATOM 0 HD3 PRO A 16 1.118 -3.805 -17.797 1.00 4.04 H new ATOM 283 N SER A 17 0.373 -2.531 -12.770 1.00 54.04 N ATOM 284 CA SER A 17 0.220 -1.676 -11.587 1.00 34.25 C ATOM 285 C SER A 17 0.045 -2.566 -10.359 1.00 72.41 C ATOM 286 O SER A 17 0.760 -2.436 -9.362 1.00 12.01 O ATOM 287 CB SER A 17 -0.986 -0.735 -11.740 1.00 5.45 C ATOM 288 OG SER A 17 -0.900 0.028 -12.937 1.00 51.30 O ATOM 0 H SER A 17 -0.505 -2.906 -13.130 1.00 54.04 H new ATOM 0 HA SER A 17 1.110 -1.057 -11.474 1.00 34.25 H new ATOM 0 HB2 SER A 17 -1.907 -1.319 -11.744 1.00 5.45 H new ATOM 0 HB3 SER A 17 -1.037 -0.064 -10.882 1.00 5.45 H new ATOM 0 HG SER A 17 -0.969 -0.569 -13.711 1.00 51.30 H new ATOM 294 N GLU A 18 -0.917 -3.479 -10.449 1.00 11.41 N ATOM 295 CA GLU A 18 -1.044 -4.569 -9.485 1.00 43.40 C ATOM 296 C GLU A 18 0.234 -5.422 -9.493 1.00 0.51 C ATOM 297 O GLU A 18 0.712 -5.842 -8.447 1.00 24.20 O ATOM 298 CB GLU A 18 -2.279 -5.444 -9.794 1.00 0.25 C ATOM 299 CG GLU A 18 -2.223 -6.195 -11.128 1.00 12.43 C ATOM 300 CD GLU A 18 -2.154 -5.267 -12.330 1.00 61.23 C ATOM 301 OE1 GLU A 18 -3.202 -4.715 -12.717 1.00 32.13 O ATOM 302 OE2 GLU A 18 -1.044 -5.051 -12.856 1.00 24.12 O ATOM 0 H GLU A 18 -1.624 -3.486 -11.184 1.00 11.41 H new ATOM 0 HA GLU A 18 -1.181 -4.139 -8.493 1.00 43.40 H new ATOM 0 HB2 GLU A 18 -2.401 -6.170 -8.990 1.00 0.25 H new ATOM 0 HB3 GLU A 18 -3.165 -4.810 -9.788 1.00 0.25 H new ATOM 0 HG2 GLU A 18 -1.353 -6.852 -11.133 1.00 12.43 H new ATOM 0 HG3 GLU A 18 -3.103 -6.832 -11.217 1.00 12.43 H new ATOM 309 N TYR A 19 0.799 -5.645 -10.685 1.00 52.24 N ATOM 310 CA TYR A 19 2.069 -6.367 -10.820 1.00 60.05 C ATOM 311 C TYR A 19 3.191 -5.666 -10.042 1.00 14.31 C ATOM 312 O TYR A 19 3.821 -6.271 -9.175 1.00 52.53 O ATOM 313 CB TYR A 19 2.468 -6.505 -12.297 1.00 11.10 C ATOM 314 CG TYR A 19 1.563 -7.412 -13.113 1.00 15.24 C ATOM 315 CD1 TYR A 19 0.857 -8.452 -12.517 1.00 23.12 C ATOM 316 CD2 TYR A 19 1.419 -7.230 -14.487 1.00 4.02 C ATOM 317 CE1 TYR A 19 0.039 -9.278 -13.260 1.00 0.21 C ATOM 318 CE2 TYR A 19 0.601 -8.053 -15.235 1.00 2.41 C ATOM 319 CZ TYR A 19 -0.086 -9.074 -14.618 1.00 1.22 C ATOM 320 OH TYR A 19 -0.903 -9.896 -15.360 1.00 61.34 O ATOM 0 H TYR A 19 0.397 -5.336 -11.570 1.00 52.24 H new ATOM 0 HA TYR A 19 1.924 -7.362 -10.400 1.00 60.05 H new ATOM 0 HB2 TYR A 19 2.474 -5.515 -12.752 1.00 11.10 H new ATOM 0 HB3 TYR A 19 3.487 -6.887 -12.350 1.00 11.10 H new ATOM 0 HD1 TYR A 19 0.951 -8.616 -11.454 1.00 23.12 H new ATOM 0 HD2 TYR A 19 1.957 -6.431 -14.975 1.00 4.02 H new ATOM 0 HE1 TYR A 19 -0.501 -10.081 -12.780 1.00 0.21 H new ATOM 0 HE2 TYR A 19 0.501 -7.897 -16.299 1.00 2.41 H new ATOM 0 HH TYR A 19 -1.315 -10.564 -14.773 1.00 61.34 H new ATOM 330 N MET A 20 3.433 -4.384 -10.340 1.00 21.13 N ATOM 331 CA MET A 20 4.443 -3.604 -9.606 1.00 53.12 C ATOM 332 C MET A 20 4.155 -3.576 -8.088 1.00 11.01 C ATOM 333 O MET A 20 5.066 -3.403 -7.276 1.00 44.35 O ATOM 334 CB MET A 20 4.512 -2.172 -10.157 1.00 43.54 C ATOM 335 CG MET A 20 5.540 -1.288 -9.458 1.00 2.42 C ATOM 336 SD MET A 20 5.633 0.370 -10.163 1.00 72.34 S ATOM 337 CE MET A 20 3.936 0.919 -9.983 1.00 74.43 C ATOM 0 H MET A 20 2.951 -3.867 -11.075 1.00 21.13 H new ATOM 0 HA MET A 20 5.406 -4.094 -9.751 1.00 53.12 H new ATOM 0 HB2 MET A 20 4.747 -2.214 -11.221 1.00 43.54 H new ATOM 0 HB3 MET A 20 3.529 -1.711 -10.066 1.00 43.54 H new ATOM 0 HG2 MET A 20 5.289 -1.214 -8.400 1.00 2.42 H new ATOM 0 HG3 MET A 20 6.521 -1.760 -9.521 1.00 2.42 H new ATOM 0 HE1 MET A 20 3.894 2.005 -10.068 1.00 74.43 H new ATOM 0 HE2 MET A 20 3.323 0.470 -10.764 1.00 74.43 H new ATOM 0 HE3 MET A 20 3.557 0.617 -9.006 1.00 74.43 H new ATOM 347 N SER A 21 2.885 -3.745 -7.715 1.00 70.42 N ATOM 348 CA SER A 21 2.483 -3.754 -6.297 1.00 1.41 C ATOM 349 C SER A 21 2.404 -5.183 -5.726 1.00 73.32 C ATOM 350 O SER A 21 2.201 -5.361 -4.529 1.00 25.34 O ATOM 351 CB SER A 21 1.123 -3.055 -6.123 1.00 32.21 C ATOM 352 OG SER A 21 1.150 -1.727 -6.634 1.00 3.24 O ATOM 0 H SER A 21 2.114 -3.878 -8.370 1.00 70.42 H new ATOM 0 HA SER A 21 3.250 -3.213 -5.743 1.00 1.41 H new ATOM 0 HB2 SER A 21 0.350 -3.628 -6.636 1.00 32.21 H new ATOM 0 HB3 SER A 21 0.856 -3.034 -5.066 1.00 32.21 H new ATOM 0 HG SER A 21 1.029 -1.748 -7.606 1.00 3.24 H new ATOM 358 N GLN A 22 2.556 -6.193 -6.581 1.00 70.24 N ATOM 359 CA GLN A 22 2.468 -7.598 -6.145 1.00 64.03 C ATOM 360 C GLN A 22 3.848 -8.279 -6.121 1.00 34.01 C ATOM 361 O GLN A 22 4.070 -9.235 -5.376 1.00 42.32 O ATOM 362 CB GLN A 22 1.503 -8.362 -7.065 1.00 71.43 C ATOM 363 CG GLN A 22 1.224 -9.797 -6.634 1.00 53.25 C ATOM 364 CD GLN A 22 0.093 -10.433 -7.424 1.00 63.14 C ATOM 365 OE1 GLN A 22 -1.067 -10.357 -7.043 1.00 13.11 O ATOM 366 NE2 GLN A 22 0.420 -11.063 -8.531 1.00 30.22 N ATOM 0 H GLN A 22 2.740 -6.072 -7.577 1.00 70.24 H new ATOM 0 HA GLN A 22 2.087 -7.614 -5.124 1.00 64.03 H new ATOM 0 HB2 GLN A 22 0.559 -7.820 -7.111 1.00 71.43 H new ATOM 0 HB3 GLN A 22 1.914 -8.372 -8.074 1.00 71.43 H new ATOM 0 HG2 GLN A 22 2.129 -10.392 -6.758 1.00 53.25 H new ATOM 0 HG3 GLN A 22 0.975 -9.812 -5.573 1.00 53.25 H new ATOM 0 HE21 GLN A 22 1.396 -11.109 -8.822 1.00 30.22 H new ATOM 0 HE22 GLN A 22 -0.303 -11.506 -9.098 1.00 30.22 H new ATOM 375 N VAL A 23 4.770 -7.783 -6.939 1.00 21.31 N ATOM 376 CA VAL A 23 6.147 -8.288 -6.965 1.00 62.44 C ATOM 377 C VAL A 23 7.151 -7.131 -6.847 1.00 31.53 C ATOM 378 O VAL A 23 6.915 -6.037 -7.364 1.00 45.01 O ATOM 379 CB VAL A 23 6.431 -9.101 -8.257 1.00 22.43 C ATOM 380 CG1 VAL A 23 6.288 -8.229 -9.505 1.00 72.00 C ATOM 381 CG2 VAL A 23 7.816 -9.749 -8.199 1.00 20.41 C ATOM 0 H VAL A 23 4.591 -7.026 -7.599 1.00 21.31 H new ATOM 0 HA VAL A 23 6.266 -8.953 -6.110 1.00 62.44 H new ATOM 0 HB VAL A 23 5.687 -9.895 -8.321 1.00 22.43 H new ATOM 0 HG11 VAL A 23 6.493 -8.828 -10.393 1.00 72.00 H new ATOM 0 HG12 VAL A 23 5.273 -7.835 -9.559 1.00 72.00 H new ATOM 0 HG13 VAL A 23 6.996 -7.402 -9.454 1.00 72.00 H new ATOM 0 HG21 VAL A 23 7.992 -10.313 -9.115 1.00 20.41 H new ATOM 0 HG22 VAL A 23 8.576 -8.974 -8.098 1.00 20.41 H new ATOM 0 HG23 VAL A 23 7.867 -10.422 -7.343 1.00 20.41 H new ATOM 391 N TYR A 24 8.266 -7.369 -6.160 1.00 62.42 N ATOM 392 CA TYR A 24 9.280 -6.330 -5.957 1.00 20.22 C ATOM 393 C TYR A 24 10.703 -6.906 -6.062 1.00 72.11 C ATOM 394 O TYR A 24 10.899 -8.120 -6.057 1.00 13.15 O ATOM 395 CB TYR A 24 9.068 -5.641 -4.596 1.00 73.22 C ATOM 396 CG TYR A 24 10.052 -4.519 -4.306 1.00 24.14 C ATOM 397 CD1 TYR A 24 10.018 -3.337 -5.037 1.00 14.35 C ATOM 398 CD2 TYR A 24 11.020 -4.646 -3.312 1.00 75.43 C ATOM 399 CE1 TYR A 24 10.917 -2.319 -4.791 1.00 1.14 C ATOM 400 CE2 TYR A 24 11.919 -3.629 -3.060 1.00 43.15 C ATOM 401 CZ TYR A 24 11.864 -2.470 -3.802 1.00 42.12 C ATOM 402 OH TYR A 24 12.764 -1.458 -3.557 1.00 31.13 O ATOM 0 H TYR A 24 8.492 -8.268 -5.735 1.00 62.42 H new ATOM 0 HA TYR A 24 9.169 -5.588 -6.747 1.00 20.22 H new ATOM 0 HB2 TYR A 24 8.055 -5.240 -4.558 1.00 73.22 H new ATOM 0 HB3 TYR A 24 9.144 -6.389 -3.807 1.00 73.22 H new ATOM 0 HD1 TYR A 24 9.275 -3.213 -5.811 1.00 14.35 H new ATOM 0 HD2 TYR A 24 11.068 -5.554 -2.730 1.00 75.43 H new ATOM 0 HE1 TYR A 24 10.878 -1.409 -5.371 1.00 1.14 H new ATOM 0 HE2 TYR A 24 12.662 -3.742 -2.284 1.00 43.15 H new ATOM 0 HH TYR A 24 13.363 -1.722 -2.828 1.00 31.13 H new ATOM 412 N GLY A 25 11.681 -6.011 -6.175 1.00 42.42 N ATOM 413 CA GLY A 25 13.083 -6.391 -6.307 1.00 4.12 C ATOM 414 C GLY A 25 13.910 -5.216 -6.807 1.00 22.00 C ATOM 415 O GLY A 25 13.998 -4.188 -6.135 1.00 42.31 O ATOM 0 H GLY A 25 11.523 -5.003 -6.178 1.00 42.42 H new ATOM 0 HA2 GLY A 25 13.466 -6.729 -5.344 1.00 4.12 H new ATOM 0 HA3 GLY A 25 13.175 -7.228 -6.999 1.00 4.12 H new ATOM 419 N ASP A 26 14.520 -5.350 -7.979 1.00 54.31 N ATOM 420 CA ASP A 26 15.092 -4.192 -8.669 1.00 55.22 C ATOM 421 C ASP A 26 14.036 -3.568 -9.592 1.00 54.13 C ATOM 422 O ASP A 26 13.488 -4.257 -10.456 1.00 13.01 O ATOM 423 CB ASP A 26 16.341 -4.586 -9.464 1.00 23.42 C ATOM 424 CG ASP A 26 17.485 -4.989 -8.554 1.00 24.42 C ATOM 425 OD1 ASP A 26 17.877 -4.172 -7.694 1.00 4.43 O ATOM 426 OD2 ASP A 26 17.997 -6.113 -8.696 1.00 63.12 O ATOM 0 H ASP A 26 14.632 -6.237 -8.470 1.00 54.31 H new ATOM 0 HA ASP A 26 15.394 -3.456 -7.924 1.00 55.22 H new ATOM 0 HB2 ASP A 26 16.100 -5.412 -10.133 1.00 23.42 H new ATOM 0 HB3 ASP A 26 16.652 -3.750 -10.090 1.00 23.42 H new ATOM 431 N PRO A 27 13.733 -2.260 -9.418 1.00 70.25 N ATOM 432 CA PRO A 27 12.656 -1.572 -10.156 1.00 34.20 C ATOM 433 C PRO A 27 12.551 -1.979 -11.635 1.00 2.34 C ATOM 434 O PRO A 27 11.538 -2.531 -12.066 1.00 33.24 O ATOM 435 CB PRO A 27 13.050 -0.101 -10.020 1.00 25.43 C ATOM 436 CG PRO A 27 13.708 -0.021 -8.683 1.00 14.11 C ATOM 437 CD PRO A 27 14.421 -1.340 -8.482 1.00 63.03 C ATOM 0 HA PRO A 27 11.672 -1.819 -9.757 1.00 34.20 H new ATOM 0 HB2 PRO A 27 13.728 0.205 -10.817 1.00 25.43 H new ATOM 0 HB3 PRO A 27 12.179 0.552 -10.075 1.00 25.43 H new ATOM 0 HG2 PRO A 27 14.411 0.811 -8.645 1.00 14.11 H new ATOM 0 HG3 PRO A 27 12.972 0.147 -7.897 1.00 14.11 H new ATOM 0 HD2 PRO A 27 15.484 -1.259 -8.710 1.00 63.03 H new ATOM 0 HD3 PRO A 27 14.341 -1.685 -7.451 1.00 63.03 H new ATOM 445 N LEU A 28 13.616 -1.734 -12.395 1.00 20.24 N ATOM 446 CA LEU A 28 13.632 -2.043 -13.830 1.00 75.13 C ATOM 447 C LEU A 28 13.515 -3.555 -14.093 1.00 43.31 C ATOM 448 O LEU A 28 12.961 -3.969 -15.109 1.00 63.32 O ATOM 449 CB LEU A 28 14.912 -1.494 -14.494 1.00 25.43 C ATOM 450 CG LEU A 28 15.071 0.041 -14.496 1.00 25.14 C ATOM 451 CD1 LEU A 28 13.810 0.721 -15.024 1.00 54.03 C ATOM 452 CD2 LEU A 28 15.431 0.565 -13.107 1.00 21.01 C ATOM 0 H LEU A 28 14.481 -1.322 -12.045 1.00 20.24 H new ATOM 0 HA LEU A 28 12.762 -1.556 -14.271 1.00 75.13 H new ATOM 0 HB2 LEU A 28 15.774 -1.928 -13.987 1.00 25.43 H new ATOM 0 HB3 LEU A 28 14.940 -1.843 -15.526 1.00 25.43 H new ATOM 0 HG LEU A 28 15.894 0.286 -15.167 1.00 25.14 H new ATOM 0 HD11 LEU A 28 13.949 1.802 -15.015 1.00 54.03 H new ATOM 0 HD12 LEU A 28 13.617 0.388 -16.044 1.00 54.03 H new ATOM 0 HD13 LEU A 28 12.963 0.458 -14.391 1.00 54.03 H new ATOM 0 HD21 LEU A 28 15.536 1.649 -13.143 1.00 21.01 H new ATOM 0 HD22 LEU A 28 14.643 0.300 -12.402 1.00 21.01 H new ATOM 0 HD23 LEU A 28 16.372 0.120 -12.783 1.00 21.01 H new ATOM 464 N ALA A 29 14.019 -4.374 -13.168 1.00 41.13 N ATOM 465 CA ALA A 29 14.022 -5.833 -13.343 1.00 74.50 C ATOM 466 C ALA A 29 12.599 -6.408 -13.397 1.00 24.34 C ATOM 467 O ALA A 29 12.171 -6.920 -14.432 1.00 33.01 O ATOM 468 CB ALA A 29 14.824 -6.502 -12.232 1.00 64.43 C ATOM 0 H ALA A 29 14.430 -4.055 -12.291 1.00 41.13 H new ATOM 0 HA ALA A 29 14.497 -6.045 -14.301 1.00 74.50 H new ATOM 0 HB1 ALA A 29 14.816 -7.582 -12.377 1.00 64.43 H new ATOM 0 HB2 ALA A 29 15.852 -6.140 -12.257 1.00 64.43 H new ATOM 0 HB3 ALA A 29 14.378 -6.262 -11.267 1.00 64.43 H new ATOM 474 N TYR A 30 11.857 -6.316 -12.287 1.00 55.32 N ATOM 475 CA TYR A 30 10.488 -6.852 -12.247 1.00 73.45 C ATOM 476 C TYR A 30 9.532 -6.008 -13.110 1.00 75.41 C ATOM 477 O TYR A 30 8.448 -6.461 -13.483 1.00 33.44 O ATOM 478 CB TYR A 30 9.965 -6.977 -10.805 1.00 42.25 C ATOM 479 CG TYR A 30 9.749 -5.663 -10.072 1.00 3.03 C ATOM 480 CD1 TYR A 30 8.525 -4.998 -10.130 1.00 61.23 C ATOM 481 CD2 TYR A 30 10.762 -5.097 -9.307 1.00 2.13 C ATOM 482 CE1 TYR A 30 8.322 -3.815 -9.448 1.00 20.20 C ATOM 483 CE2 TYR A 30 10.565 -3.911 -8.625 1.00 25.11 C ATOM 484 CZ TYR A 30 9.344 -3.275 -8.699 1.00 73.33 C ATOM 485 OH TYR A 30 9.142 -2.098 -8.016 1.00 71.01 O ATOM 0 H TYR A 30 12.172 -5.884 -11.418 1.00 55.32 H new ATOM 0 HA TYR A 30 10.524 -7.856 -12.669 1.00 73.45 H new ATOM 0 HB2 TYR A 30 9.021 -7.521 -10.825 1.00 42.25 H new ATOM 0 HB3 TYR A 30 10.669 -7.581 -10.233 1.00 42.25 H new ATOM 0 HD1 TYR A 30 7.722 -5.416 -10.719 1.00 61.23 H new ATOM 0 HD2 TYR A 30 11.720 -5.592 -9.244 1.00 2.13 H new ATOM 0 HE1 TYR A 30 7.366 -3.315 -9.502 1.00 20.20 H new ATOM 0 HE2 TYR A 30 11.364 -3.484 -8.037 1.00 25.11 H new ATOM 0 HH TYR A 30 9.724 -2.073 -7.228 1.00 71.01 H new ATOM 495 N LEU A 31 9.935 -4.776 -13.428 1.00 13.43 N ATOM 496 CA LEU A 31 9.187 -3.956 -14.386 1.00 23.11 C ATOM 497 C LEU A 31 9.203 -4.616 -15.774 1.00 1.22 C ATOM 498 O LEU A 31 8.152 -4.897 -16.349 1.00 13.11 O ATOM 499 CB LEU A 31 9.772 -2.541 -14.473 1.00 4.51 C ATOM 500 CG LEU A 31 9.029 -1.576 -15.415 1.00 64.41 C ATOM 501 CD1 LEU A 31 7.572 -1.412 -14.985 1.00 30.30 C ATOM 502 CD2 LEU A 31 9.733 -0.222 -15.471 1.00 64.20 C ATOM 0 H LEU A 31 10.766 -4.327 -13.042 1.00 13.43 H new ATOM 0 HA LEU A 31 8.157 -3.881 -14.036 1.00 23.11 H new ATOM 0 HB2 LEU A 31 9.783 -2.109 -13.473 1.00 4.51 H new ATOM 0 HB3 LEU A 31 10.809 -2.614 -14.800 1.00 4.51 H new ATOM 0 HG LEU A 31 9.041 -2.005 -16.417 1.00 64.41 H new ATOM 0 HD11 LEU A 31 7.067 -0.726 -15.665 1.00 30.30 H new ATOM 0 HD12 LEU A 31 7.074 -2.381 -15.011 1.00 30.30 H new ATOM 0 HD13 LEU A 31 7.535 -1.012 -13.972 1.00 30.30 H new ATOM 0 HD21 LEU A 31 9.190 0.443 -16.143 1.00 64.20 H new ATOM 0 HD22 LEU A 31 9.762 0.215 -14.473 1.00 64.20 H new ATOM 0 HD23 LEU A 31 10.751 -0.356 -15.838 1.00 64.20 H new ATOM 514 N GLN A 32 10.405 -4.876 -16.296 1.00 65.32 N ATOM 515 CA GLN A 32 10.564 -5.574 -17.579 1.00 54.14 C ATOM 516 C GLN A 32 9.954 -6.983 -17.517 1.00 21.11 C ATOM 517 O GLN A 32 9.308 -7.428 -18.461 1.00 62.01 O ATOM 518 CB GLN A 32 12.052 -5.648 -17.964 1.00 65.24 C ATOM 519 CG GLN A 32 12.676 -4.284 -18.249 1.00 53.45 C ATOM 520 CD GLN A 32 14.176 -4.353 -18.510 1.00 44.45 C ATOM 521 OE1 GLN A 32 14.696 -5.350 -19.001 1.00 55.13 O ATOM 522 NE2 GLN A 32 14.881 -3.285 -18.190 1.00 1.31 N ATOM 0 H GLN A 32 11.284 -4.614 -15.851 1.00 65.32 H new ATOM 0 HA GLN A 32 10.031 -5.009 -18.344 1.00 54.14 H new ATOM 0 HB2 GLN A 32 12.604 -6.130 -17.157 1.00 65.24 H new ATOM 0 HB3 GLN A 32 12.160 -6.279 -18.846 1.00 65.24 H new ATOM 0 HG2 GLN A 32 12.183 -3.840 -19.114 1.00 53.45 H new ATOM 0 HG3 GLN A 32 12.491 -3.623 -17.402 1.00 53.45 H new ATOM 0 HE21 GLN A 32 14.419 -2.472 -17.783 1.00 1.31 H new ATOM 0 HE22 GLN A 32 15.888 -3.272 -18.349 1.00 1.31 H new ATOM 531 N GLU A 33 10.164 -7.660 -16.388 1.00 3.23 N ATOM 532 CA GLU A 33 9.576 -8.983 -16.118 1.00 32.44 C ATOM 533 C GLU A 33 8.061 -9.000 -16.392 1.00 21.32 C ATOM 534 O GLU A 33 7.596 -9.605 -17.360 1.00 31.20 O ATOM 535 CB GLU A 33 9.849 -9.356 -14.650 1.00 21.34 C ATOM 536 CG GLU A 33 9.129 -10.606 -14.151 1.00 73.42 C ATOM 537 CD GLU A 33 9.171 -10.720 -12.630 1.00 12.43 C ATOM 538 OE1 GLU A 33 8.294 -10.128 -11.962 1.00 15.03 O ATOM 539 OE2 GLU A 33 10.091 -11.379 -12.101 1.00 61.40 O ATOM 0 H GLU A 33 10.748 -7.310 -15.629 1.00 3.23 H new ATOM 0 HA GLU A 33 10.036 -9.711 -16.787 1.00 32.44 H new ATOM 0 HB2 GLU A 33 10.922 -9.499 -14.522 1.00 21.34 H new ATOM 0 HB3 GLU A 33 9.562 -8.515 -14.019 1.00 21.34 H new ATOM 0 HG2 GLU A 33 8.092 -10.584 -14.485 1.00 73.42 H new ATOM 0 HG3 GLU A 33 9.588 -11.490 -14.594 1.00 73.42 H new ATOM 546 N THR A 34 7.307 -8.300 -15.545 1.00 34.54 N ATOM 547 CA THR A 34 5.840 -8.267 -15.635 1.00 41.13 C ATOM 548 C THR A 34 5.339 -7.614 -16.934 1.00 65.23 C ATOM 549 O THR A 34 4.295 -7.995 -17.466 1.00 72.33 O ATOM 550 CB THR A 34 5.230 -7.517 -14.430 1.00 33.50 C ATOM 551 OG1 THR A 34 5.714 -6.164 -14.389 1.00 12.21 O ATOM 552 CG2 THR A 34 5.575 -8.223 -13.121 1.00 22.31 C ATOM 0 H THR A 34 7.688 -7.742 -14.781 1.00 34.54 H new ATOM 0 HA THR A 34 5.515 -9.307 -15.631 1.00 41.13 H new ATOM 0 HB THR A 34 4.147 -7.509 -14.550 1.00 33.50 H new ATOM 0 HG1 THR A 34 6.647 -6.159 -14.088 1.00 12.21 H new ATOM 0 HG21 THR A 34 5.135 -7.677 -12.286 1.00 22.31 H new ATOM 0 HG22 THR A 34 5.179 -9.238 -13.140 1.00 22.31 H new ATOM 0 HG23 THR A 34 6.658 -8.258 -13.001 1.00 22.31 H new ATOM 560 N THR A 35 6.078 -6.625 -17.436 1.00 10.24 N ATOM 561 CA THR A 35 5.748 -5.988 -18.722 1.00 55.20 C ATOM 562 C THR A 35 5.917 -6.980 -19.887 1.00 4.42 C ATOM 563 O THR A 35 5.235 -6.876 -20.910 1.00 31.42 O ATOM 564 CB THR A 35 6.620 -4.729 -18.978 1.00 30.02 C ATOM 565 OG1 THR A 35 6.340 -3.722 -17.991 1.00 53.35 O ATOM 566 CG2 THR A 35 6.385 -4.145 -20.370 1.00 4.50 C ATOM 0 H THR A 35 6.907 -6.245 -16.978 1.00 10.24 H new ATOM 0 HA THR A 35 4.705 -5.678 -18.666 1.00 55.20 H new ATOM 0 HB THR A 35 7.662 -5.040 -18.910 1.00 30.02 H new ATOM 0 HG1 THR A 35 6.877 -3.892 -17.189 1.00 53.35 H new ATOM 0 HG21 THR A 35 7.015 -3.266 -20.507 1.00 4.50 H new ATOM 0 HG22 THR A 35 6.634 -4.891 -21.124 1.00 4.50 H new ATOM 0 HG23 THR A 35 5.338 -3.861 -20.473 1.00 4.50 H new ATOM 574 N LYS A 36 6.836 -7.933 -19.727 1.00 12.03 N ATOM 575 CA LYS A 36 7.019 -9.015 -20.703 1.00 55.11 C ATOM 576 C LYS A 36 5.896 -10.066 -20.587 1.00 44.45 C ATOM 577 O LYS A 36 4.980 -10.102 -21.417 1.00 50.43 O ATOM 578 CB LYS A 36 8.386 -9.693 -20.503 1.00 14.21 C ATOM 579 CG LYS A 36 9.569 -8.990 -21.165 1.00 64.24 C ATOM 580 CD LYS A 36 10.896 -9.537 -20.633 1.00 54.22 C ATOM 581 CE LYS A 36 12.068 -9.249 -21.562 1.00 64.44 C ATOM 582 NZ LYS A 36 12.010 -10.068 -22.803 1.00 32.21 N ATOM 0 H LYS A 36 7.469 -7.980 -18.928 1.00 12.03 H new ATOM 0 HA LYS A 36 6.978 -8.574 -21.699 1.00 55.11 H new ATOM 0 HB2 LYS A 36 8.582 -9.768 -19.433 1.00 14.21 H new ATOM 0 HB3 LYS A 36 8.328 -10.711 -20.889 1.00 14.21 H new ATOM 0 HG2 LYS A 36 9.521 -9.128 -22.245 1.00 64.24 H new ATOM 0 HG3 LYS A 36 9.512 -7.918 -20.977 1.00 64.24 H new ATOM 0 HD2 LYS A 36 11.098 -9.100 -19.655 1.00 54.22 H new ATOM 0 HD3 LYS A 36 10.808 -10.614 -20.489 1.00 54.22 H new ATOM 0 HE2 LYS A 36 12.070 -8.191 -21.825 1.00 64.44 H new ATOM 0 HE3 LYS A 36 13.003 -9.449 -21.039 1.00 64.44 H new ATOM 0 HZ1 LYS A 36 12.964 -10.405 -23.041 1.00 32.21 H new ATOM 0 HZ2 LYS A 36 11.382 -10.883 -22.652 1.00 32.21 H new ATOM 0 HZ3 LYS A 36 11.643 -9.488 -23.585 1.00 32.21 H new ATOM 596 N PHE A 37 5.961 -10.893 -19.537 1.00 34.23 N ATOM 597 CA PHE A 37 5.038 -12.025 -19.364 1.00 42.35 C ATOM 598 C PHE A 37 5.393 -12.805 -18.073 1.00 20.54 C ATOM 599 O PHE A 37 5.909 -12.228 -17.119 1.00 3.51 O ATOM 600 CB PHE A 37 5.102 -12.945 -20.609 1.00 72.44 C ATOM 601 CG PHE A 37 3.870 -13.800 -20.816 1.00 23.45 C ATOM 602 CD1 PHE A 37 2.625 -13.212 -21.005 1.00 33.04 C ATOM 603 CD2 PHE A 37 3.955 -15.187 -20.823 1.00 22.54 C ATOM 604 CE1 PHE A 37 1.497 -13.987 -21.193 1.00 75.43 C ATOM 605 CE2 PHE A 37 2.828 -15.965 -21.012 1.00 53.14 C ATOM 606 CZ PHE A 37 1.599 -15.365 -21.196 1.00 41.35 C ATOM 0 H PHE A 37 6.648 -10.800 -18.789 1.00 34.23 H new ATOM 0 HA PHE A 37 4.018 -11.653 -19.264 1.00 42.35 H new ATOM 0 HB2 PHE A 37 5.255 -12.328 -21.495 1.00 72.44 H new ATOM 0 HB3 PHE A 37 5.971 -13.597 -20.521 1.00 72.44 H new ATOM 0 HD1 PHE A 37 2.538 -12.135 -21.005 1.00 33.04 H new ATOM 0 HD2 PHE A 37 4.914 -15.663 -20.679 1.00 22.54 H new ATOM 0 HE1 PHE A 37 0.536 -13.516 -21.338 1.00 75.43 H new ATOM 0 HE2 PHE A 37 2.909 -17.042 -21.016 1.00 53.14 H new ATOM 0 HZ PHE A 37 0.718 -15.972 -21.342 1.00 41.35 H new ATOM 616 N VAL A 38 5.092 -14.108 -18.032 1.00 72.53 N ATOM 617 CA VAL A 38 5.398 -14.940 -16.858 1.00 43.13 C ATOM 618 C VAL A 38 6.409 -16.067 -17.180 1.00 41.02 C ATOM 619 O VAL A 38 7.046 -16.614 -16.280 1.00 71.43 O ATOM 620 CB VAL A 38 4.101 -15.571 -16.284 1.00 35.35 C ATOM 621 CG1 VAL A 38 4.381 -16.343 -14.995 1.00 42.22 C ATOM 622 CG2 VAL A 38 3.034 -14.502 -16.053 1.00 1.45 C ATOM 0 H VAL A 38 4.638 -14.610 -18.795 1.00 72.53 H new ATOM 0 HA VAL A 38 5.851 -14.279 -16.119 1.00 43.13 H new ATOM 0 HB VAL A 38 3.723 -16.280 -17.021 1.00 35.35 H new ATOM 0 HG11 VAL A 38 3.452 -16.772 -14.619 1.00 42.22 H new ATOM 0 HG12 VAL A 38 5.094 -17.142 -15.197 1.00 42.22 H new ATOM 0 HG13 VAL A 38 4.796 -15.666 -14.248 1.00 42.22 H new ATOM 0 HG21 VAL A 38 2.134 -14.967 -15.651 1.00 1.45 H new ATOM 0 HG22 VAL A 38 3.408 -13.762 -15.345 1.00 1.45 H new ATOM 0 HG23 VAL A 38 2.798 -14.013 -16.998 1.00 1.45 H new ATOM 632 N THR A 39 6.573 -16.407 -18.464 1.00 3.04 N ATOM 633 CA THR A 39 7.424 -17.553 -18.858 1.00 50.14 C ATOM 634 C THR A 39 8.478 -17.170 -19.907 1.00 4.41 C ATOM 635 O THR A 39 8.188 -17.143 -21.105 1.00 44.23 O ATOM 636 CB THR A 39 6.573 -18.728 -19.412 1.00 71.23 C ATOM 637 OG1 THR A 39 5.639 -19.175 -18.417 1.00 2.15 O ATOM 638 CG2 THR A 39 7.446 -19.909 -19.846 1.00 50.41 C ATOM 0 H THR A 39 6.137 -15.916 -19.245 1.00 3.04 H new ATOM 0 HA THR A 39 7.937 -17.866 -17.949 1.00 50.14 H new ATOM 0 HB THR A 39 6.039 -18.356 -20.287 1.00 71.23 H new ATOM 0 HG1 THR A 39 5.107 -19.915 -18.777 1.00 2.15 H new ATOM 0 HG21 THR A 39 6.812 -20.709 -20.227 1.00 50.41 H new ATOM 0 HG22 THR A 39 8.132 -19.586 -20.629 1.00 50.41 H new ATOM 0 HG23 THR A 39 8.016 -20.274 -18.991 1.00 50.41 H new ATOM 646 N GLU A 40 9.700 -16.876 -19.451 1.00 24.05 N ATOM 647 CA GLU A 40 10.821 -16.567 -20.354 1.00 74.01 C ATOM 648 C GLU A 40 12.183 -16.960 -19.748 1.00 42.20 C ATOM 649 O GLU A 40 12.516 -16.632 -18.588 1.00 20.22 O ATOM 650 CB GLU A 40 10.833 -15.072 -20.743 1.00 71.54 C ATOM 651 CG GLU A 40 9.841 -14.708 -21.849 1.00 5.14 C ATOM 652 CD GLU A 40 9.716 -13.210 -22.078 1.00 51.11 C ATOM 653 OE1 GLU A 40 10.747 -12.547 -22.320 1.00 32.23 O ATOM 654 OE2 GLU A 40 8.578 -12.694 -22.034 1.00 72.40 O ATOM 0 H GLU A 40 9.941 -16.845 -18.460 1.00 24.05 H new ATOM 0 HA GLU A 40 10.667 -17.165 -21.252 1.00 74.01 H new ATOM 0 HB2 GLU A 40 10.610 -14.475 -19.858 1.00 71.54 H new ATOM 0 HB3 GLU A 40 11.838 -14.799 -21.066 1.00 71.54 H new ATOM 0 HG2 GLU A 40 10.153 -15.185 -22.778 1.00 5.14 H new ATOM 0 HG3 GLU A 40 8.861 -15.113 -21.596 1.00 5.14 H new ATOM 661 N ARG A 41 12.982 -17.660 -20.549 1.00 20.10 N ATOM 662 CA ARG A 41 14.342 -18.012 -20.154 1.00 14.44 C ATOM 663 C ARG A 41 15.129 -16.746 -19.785 1.00 71.43 C ATOM 664 O ARG A 41 15.939 -16.767 -18.866 1.00 2.43 O ATOM 665 CB ARG A 41 15.046 -18.783 -21.284 1.00 14.53 C ATOM 666 CG ARG A 41 16.432 -19.305 -20.915 1.00 74.42 C ATOM 667 CD ARG A 41 17.064 -20.087 -22.062 1.00 52.41 C ATOM 668 NE ARG A 41 16.260 -21.250 -22.444 1.00 23.02 N ATOM 669 CZ ARG A 41 16.352 -21.862 -23.594 1.00 54.11 C ATOM 670 NH1 ARG A 41 17.149 -21.427 -24.519 1.00 1.32 N ATOM 671 NH2 ARG A 41 15.630 -22.907 -23.824 1.00 52.13 N ATOM 0 H ARG A 41 12.711 -17.994 -21.474 1.00 20.10 H new ATOM 0 HA ARG A 41 14.298 -18.659 -19.278 1.00 14.44 H new ATOM 0 HB2 ARG A 41 14.420 -19.625 -21.580 1.00 14.53 H new ATOM 0 HB3 ARG A 41 15.135 -18.131 -22.153 1.00 14.53 H new ATOM 0 HG2 ARG A 41 17.077 -18.468 -20.647 1.00 74.42 H new ATOM 0 HG3 ARG A 41 16.358 -19.945 -20.036 1.00 74.42 H new ATOM 0 HD2 ARG A 41 17.185 -19.431 -22.924 1.00 52.41 H new ATOM 0 HD3 ARG A 41 18.061 -20.416 -21.770 1.00 52.41 H new ATOM 0 HE ARG A 41 15.584 -21.605 -21.768 1.00 23.02 H new ATOM 0 HH11 ARG A 41 17.716 -20.595 -24.354 1.00 1.32 H new ATOM 0 HH12 ARG A 41 17.209 -21.916 -25.412 1.00 1.32 H new ATOM 0 HH21 ARG A 41 14.990 -23.252 -23.109 1.00 52.13 H new ATOM 0 HH22 ARG A 41 15.699 -23.387 -24.721 1.00 52.13 H new ATOM 685 N GLU A 42 14.852 -15.636 -20.486 1.00 74.23 N ATOM 686 CA GLU A 42 15.482 -14.343 -20.175 1.00 34.42 C ATOM 687 C GLU A 42 15.293 -13.957 -18.698 1.00 1.53 C ATOM 688 O GLU A 42 16.195 -13.390 -18.080 1.00 24.51 O ATOM 689 CB GLU A 42 14.941 -13.224 -21.083 1.00 35.02 C ATOM 690 CG GLU A 42 15.249 -13.426 -22.565 1.00 43.42 C ATOM 691 CD GLU A 42 15.077 -12.152 -23.383 1.00 71.23 C ATOM 692 OE1 GLU A 42 13.938 -11.845 -23.797 1.00 44.01 O ATOM 693 OE2 GLU A 42 16.084 -11.447 -23.616 1.00 24.22 O ATOM 0 H GLU A 42 14.199 -15.607 -21.269 1.00 74.23 H new ATOM 0 HA GLU A 42 16.549 -14.460 -20.363 1.00 34.42 H new ATOM 0 HB2 GLU A 42 13.861 -13.154 -20.953 1.00 35.02 H new ATOM 0 HB3 GLU A 42 15.363 -12.272 -20.761 1.00 35.02 H new ATOM 0 HG2 GLU A 42 16.272 -13.786 -22.673 1.00 43.42 H new ATOM 0 HG3 GLU A 42 14.595 -14.200 -22.965 1.00 43.42 H new ATOM 700 N TYR A 43 14.125 -14.265 -18.127 1.00 73.34 N ATOM 701 CA TYR A 43 13.914 -14.069 -16.687 1.00 52.32 C ATOM 702 C TYR A 43 14.935 -14.898 -15.908 1.00 41.44 C ATOM 703 O TYR A 43 15.624 -14.400 -15.017 1.00 44.21 O ATOM 704 CB TYR A 43 12.508 -14.500 -16.245 1.00 62.20 C ATOM 705 CG TYR A 43 11.359 -13.898 -17.029 1.00 21.24 C ATOM 706 CD1 TYR A 43 11.472 -12.663 -17.657 1.00 52.24 C ATOM 707 CD2 TYR A 43 10.150 -14.577 -17.135 1.00 33.11 C ATOM 708 CE1 TYR A 43 10.415 -12.133 -18.370 1.00 44.42 C ATOM 709 CE2 TYR A 43 9.094 -14.050 -17.843 1.00 41.41 C ATOM 710 CZ TYR A 43 9.231 -12.832 -18.460 1.00 64.31 C ATOM 711 OH TYR A 43 8.180 -12.318 -19.175 1.00 21.34 O ATOM 0 H TYR A 43 13.322 -14.645 -18.628 1.00 73.34 H new ATOM 0 HA TYR A 43 14.030 -13.004 -16.483 1.00 52.32 H new ATOM 0 HB2 TYR A 43 12.442 -15.586 -16.315 1.00 62.20 H new ATOM 0 HB3 TYR A 43 12.382 -14.240 -15.194 1.00 62.20 H new ATOM 0 HD1 TYR A 43 12.398 -12.111 -17.586 1.00 52.24 H new ATOM 0 HD2 TYR A 43 10.038 -15.537 -16.652 1.00 33.11 H new ATOM 0 HE1 TYR A 43 10.516 -11.174 -18.856 1.00 44.42 H new ATOM 0 HE2 TYR A 43 8.163 -14.592 -17.913 1.00 41.41 H new ATOM 0 HH TYR A 43 8.256 -12.594 -20.112 1.00 21.34 H new ATOM 721 N TYR A 44 15.029 -16.176 -16.275 1.00 24.12 N ATOM 722 CA TYR A 44 15.988 -17.093 -15.633 1.00 14.54 C ATOM 723 C TYR A 44 17.456 -16.776 -15.996 1.00 44.21 C ATOM 724 O TYR A 44 18.376 -17.266 -15.342 1.00 33.04 O ATOM 725 CB TYR A 44 15.661 -18.547 -15.996 1.00 51.22 C ATOM 726 CG TYR A 44 14.462 -19.110 -15.251 1.00 25.44 C ATOM 727 CD1 TYR A 44 13.163 -18.899 -15.701 1.00 44.52 C ATOM 728 CD2 TYR A 44 14.637 -19.861 -14.093 1.00 4.25 C ATOM 729 CE1 TYR A 44 12.077 -19.422 -15.019 1.00 32.53 C ATOM 730 CE2 TYR A 44 13.559 -20.389 -13.410 1.00 50.44 C ATOM 731 CZ TYR A 44 12.281 -20.168 -13.876 1.00 25.24 C ATOM 732 OH TYR A 44 11.203 -20.701 -13.199 1.00 63.01 O ATOM 0 H TYR A 44 14.461 -16.603 -17.007 1.00 24.12 H new ATOM 0 HA TYR A 44 15.886 -16.950 -14.557 1.00 14.54 H new ATOM 0 HB2 TYR A 44 15.474 -18.611 -17.068 1.00 51.22 H new ATOM 0 HB3 TYR A 44 16.532 -19.169 -15.787 1.00 51.22 H new ATOM 0 HD1 TYR A 44 12.999 -18.318 -16.596 1.00 44.52 H new ATOM 0 HD2 TYR A 44 15.636 -20.035 -13.721 1.00 4.25 H new ATOM 0 HE1 TYR A 44 11.074 -19.247 -15.380 1.00 32.53 H new ATOM 0 HE2 TYR A 44 13.717 -20.972 -12.515 1.00 50.44 H new ATOM 0 HH TYR A 44 11.503 -21.060 -12.338 1.00 63.01 H new ATOM 742 N GLU A 45 17.672 -15.959 -17.032 1.00 70.23 N ATOM 743 CA GLU A 45 19.033 -15.567 -17.453 1.00 33.23 C ATOM 744 C GLU A 45 19.480 -14.249 -16.792 1.00 60.45 C ATOM 745 O GLU A 45 20.302 -13.515 -17.345 1.00 4.10 O ATOM 746 CB GLU A 45 19.101 -15.425 -18.983 1.00 71.51 C ATOM 747 CG GLU A 45 18.871 -16.725 -19.745 1.00 14.23 C ATOM 748 CD GLU A 45 18.871 -16.529 -21.256 1.00 22.22 C ATOM 749 OE1 GLU A 45 18.112 -15.668 -21.753 1.00 72.30 O ATOM 750 OE2 GLU A 45 19.611 -17.248 -21.960 1.00 14.55 O ATOM 0 H GLU A 45 16.927 -15.553 -17.598 1.00 70.23 H new ATOM 0 HA GLU A 45 19.711 -16.356 -17.128 1.00 33.23 H new ATOM 0 HB2 GLU A 45 18.357 -14.694 -19.302 1.00 71.51 H new ATOM 0 HB3 GLU A 45 20.078 -15.026 -19.256 1.00 71.51 H new ATOM 0 HG2 GLU A 45 19.647 -17.441 -19.476 1.00 14.23 H new ATOM 0 HG3 GLU A 45 17.918 -17.157 -19.439 1.00 14.23 H new ATOM 757 N ASP A 46 18.937 -13.961 -15.608 1.00 11.10 N ATOM 758 CA ASP A 46 19.319 -12.772 -14.829 1.00 53.01 C ATOM 759 C ASP A 46 18.998 -11.450 -15.557 1.00 11.15 C ATOM 760 O ASP A 46 19.684 -10.443 -15.362 1.00 51.45 O ATOM 761 CB ASP A 46 20.812 -12.823 -14.473 1.00 53.54 C ATOM 762 CG ASP A 46 21.170 -14.019 -13.612 1.00 62.22 C ATOM 763 OD1 ASP A 46 20.885 -13.986 -12.397 1.00 64.14 O ATOM 764 OD2 ASP A 46 21.758 -14.982 -14.138 1.00 32.42 O ATOM 0 H ASP A 46 18.225 -14.538 -15.161 1.00 11.10 H new ATOM 0 HA ASP A 46 18.721 -12.791 -13.918 1.00 53.01 H new ATOM 0 HB2 ASP A 46 21.399 -12.853 -15.391 1.00 53.54 H new ATOM 0 HB3 ASP A 46 21.087 -11.908 -13.949 1.00 53.54 H new ATOM 769 N PHE A 47 17.955 -11.444 -16.387 1.00 4.34 N ATOM 770 CA PHE A 47 17.513 -10.205 -17.052 1.00 65.45 C ATOM 771 C PHE A 47 16.323 -9.554 -16.323 1.00 21.15 C ATOM 772 O PHE A 47 15.937 -8.427 -16.637 1.00 60.52 O ATOM 773 CB PHE A 47 17.156 -10.468 -18.526 1.00 10.03 C ATOM 774 CG PHE A 47 18.347 -10.822 -19.386 1.00 62.54 C ATOM 775 CD1 PHE A 47 19.311 -9.869 -19.680 1.00 44.22 C ATOM 776 CD2 PHE A 47 18.502 -12.101 -19.901 1.00 64.22 C ATOM 777 CE1 PHE A 47 20.402 -10.185 -20.468 1.00 51.10 C ATOM 778 CE2 PHE A 47 19.591 -12.421 -20.689 1.00 12.13 C ATOM 779 CZ PHE A 47 20.542 -11.461 -20.973 1.00 11.20 C ATOM 0 H PHE A 47 17.402 -12.270 -16.617 1.00 4.34 H new ATOM 0 HA PHE A 47 18.349 -9.507 -17.013 1.00 65.45 H new ATOM 0 HB2 PHE A 47 16.430 -11.279 -18.575 1.00 10.03 H new ATOM 0 HB3 PHE A 47 16.673 -9.582 -18.937 1.00 10.03 H new ATOM 0 HD1 PHE A 47 19.208 -8.868 -19.288 1.00 44.22 H new ATOM 0 HD2 PHE A 47 17.762 -12.856 -19.683 1.00 64.22 H new ATOM 0 HE1 PHE A 47 21.145 -9.433 -20.688 1.00 51.10 H new ATOM 0 HE2 PHE A 47 19.698 -13.421 -21.082 1.00 12.13 H new ATOM 0 HZ PHE A 47 21.394 -11.709 -21.589 1.00 11.20 H new ATOM 789 N GLY A 48 15.751 -10.258 -15.350 1.00 41.03 N ATOM 790 CA GLY A 48 14.641 -9.703 -14.579 1.00 64.32 C ATOM 791 C GLY A 48 13.982 -10.722 -13.655 1.00 32.13 C ATOM 792 O GLY A 48 13.612 -11.812 -14.092 1.00 2.22 O ATOM 0 H GLY A 48 16.032 -11.200 -15.079 1.00 41.03 H new ATOM 0 HA2 GLY A 48 15.004 -8.864 -13.985 1.00 64.32 H new ATOM 0 HA3 GLY A 48 13.892 -9.307 -15.265 1.00 64.32 H new ATOM 1115 N PRO A 71 -0.892 -18.771 -2.599 1.00 10.23 N ATOM 1116 CA PRO A 71 -1.666 -19.865 -3.227 1.00 43.54 C ATOM 1117 C PRO A 71 -3.198 -19.695 -3.094 1.00 11.40 C ATOM 1118 O PRO A 71 -3.967 -20.390 -3.763 1.00 75.24 O ATOM 1119 CB PRO A 71 -1.197 -21.105 -2.452 1.00 52.24 C ATOM 1120 CG PRO A 71 0.190 -20.770 -2.017 1.00 44.41 C ATOM 1121 CD PRO A 71 0.179 -19.294 -1.720 1.00 11.42 C ATOM 0 HA PRO A 71 -1.495 -19.909 -4.303 1.00 43.54 H new ATOM 0 HB2 PRO A 71 -1.843 -21.307 -1.598 1.00 52.24 H new ATOM 0 HB3 PRO A 71 -1.212 -21.995 -3.081 1.00 52.24 H new ATOM 0 HG2 PRO A 71 0.473 -21.345 -1.135 1.00 44.41 H new ATOM 0 HG3 PRO A 71 0.913 -21.007 -2.798 1.00 44.41 H new ATOM 0 HD2 PRO A 71 -0.033 -19.098 -0.669 1.00 11.42 H new ATOM 0 HD3 PRO A 71 1.141 -18.833 -1.942 1.00 11.42 H new ATOM 1129 N LYS A 72 -3.618 -18.765 -2.232 1.00 15.34 N ATOM 1130 CA LYS A 72 -5.038 -18.484 -1.962 1.00 61.03 C ATOM 1131 C LYS A 72 -5.901 -18.345 -3.237 1.00 34.12 C ATOM 1132 O LYS A 72 -6.641 -19.258 -3.605 1.00 40.13 O ATOM 1133 CB LYS A 72 -5.160 -17.188 -1.144 1.00 73.01 C ATOM 1134 CG LYS A 72 -4.643 -17.280 0.290 1.00 32.35 C ATOM 1135 CD LYS A 72 -5.537 -18.154 1.169 1.00 42.45 C ATOM 1136 CE LYS A 72 -6.983 -17.656 1.193 1.00 14.41 C ATOM 1137 NZ LYS A 72 -7.087 -16.235 1.629 1.00 50.15 N ATOM 0 H LYS A 72 -2.979 -18.179 -1.695 1.00 15.34 H new ATOM 0 HA LYS A 72 -5.417 -19.344 -1.410 1.00 61.03 H new ATOM 0 HB2 LYS A 72 -4.616 -16.397 -1.661 1.00 73.01 H new ATOM 0 HB3 LYS A 72 -6.208 -16.889 -1.118 1.00 73.01 H new ATOM 0 HG2 LYS A 72 -3.632 -17.687 0.285 1.00 32.35 H new ATOM 0 HG3 LYS A 72 -4.582 -16.279 0.718 1.00 32.35 H new ATOM 0 HD2 LYS A 72 -5.513 -19.180 0.802 1.00 42.45 H new ATOM 0 HD3 LYS A 72 -5.142 -18.169 2.185 1.00 42.45 H new ATOM 0 HE2 LYS A 72 -7.417 -17.761 0.199 1.00 14.41 H new ATOM 0 HE3 LYS A 72 -7.569 -18.283 1.865 1.00 14.41 H new ATOM 0 HZ1 LYS A 72 -8.089 -15.979 1.743 1.00 50.15 H new ATOM 0 HZ2 LYS A 72 -6.593 -16.113 2.536 1.00 50.15 H new ATOM 0 HZ3 LYS A 72 -6.652 -15.619 0.912 1.00 50.15 H new ATOM 1151 N LEU A 73 -5.800 -17.193 -3.902 1.00 74.42 N ATOM 1152 CA LEU A 73 -6.760 -16.819 -4.957 1.00 72.41 C ATOM 1153 C LEU A 73 -6.130 -16.869 -6.369 1.00 44.45 C ATOM 1154 O LEU A 73 -6.839 -16.964 -7.373 1.00 51.40 O ATOM 1155 CB LEU A 73 -7.304 -15.406 -4.636 1.00 33.31 C ATOM 1156 CG LEU A 73 -8.724 -15.069 -5.140 1.00 12.15 C ATOM 1157 CD1 LEU A 73 -8.737 -14.792 -6.640 1.00 74.12 C ATOM 1158 CD2 LEU A 73 -9.700 -16.192 -4.784 1.00 61.15 C ATOM 0 H LEU A 73 -5.069 -16.502 -3.734 1.00 74.42 H new ATOM 0 HA LEU A 73 -7.575 -17.542 -4.969 1.00 72.41 H new ATOM 0 HB2 LEU A 73 -7.289 -15.275 -3.554 1.00 33.31 H new ATOM 0 HB3 LEU A 73 -6.613 -14.674 -5.055 1.00 33.31 H new ATOM 0 HG LEU A 73 -9.047 -14.157 -4.638 1.00 12.15 H new ATOM 0 HD11 LEU A 73 -9.753 -14.559 -6.958 1.00 74.12 H new ATOM 0 HD12 LEU A 73 -8.085 -13.947 -6.860 1.00 74.12 H new ATOM 0 HD13 LEU A 73 -8.382 -15.673 -7.176 1.00 74.12 H new ATOM 0 HD21 LEU A 73 -10.696 -15.937 -5.147 1.00 61.15 H new ATOM 0 HD22 LEU A 73 -9.371 -17.121 -5.249 1.00 61.15 H new ATOM 0 HD23 LEU A 73 -9.730 -16.319 -3.702 1.00 61.15 H new ATOM 1170 N LEU A 74 -4.803 -16.816 -6.435 1.00 61.24 N ATOM 1171 CA LEU A 74 -4.077 -16.780 -7.715 1.00 24.54 C ATOM 1172 C LEU A 74 -4.350 -18.052 -8.561 1.00 74.25 C ATOM 1173 O LEU A 74 -3.997 -19.161 -8.154 1.00 33.13 O ATOM 1174 CB LEU A 74 -2.570 -16.612 -7.420 1.00 24.10 C ATOM 1175 CG LEU A 74 -1.697 -16.052 -8.566 1.00 35.33 C ATOM 1176 CD1 LEU A 74 -0.364 -15.543 -8.022 1.00 74.10 C ATOM 1177 CD2 LEU A 74 -1.449 -17.097 -9.652 1.00 63.44 C ATOM 0 H LEU A 74 -4.198 -16.797 -5.614 1.00 61.24 H new ATOM 0 HA LEU A 74 -4.429 -15.935 -8.307 1.00 24.54 H new ATOM 0 HB2 LEU A 74 -2.463 -15.954 -6.558 1.00 24.10 H new ATOM 0 HB3 LEU A 74 -2.169 -17.584 -7.131 1.00 24.10 H new ATOM 0 HG LEU A 74 -2.244 -15.223 -9.015 1.00 35.33 H new ATOM 0 HD11 LEU A 74 0.238 -15.152 -8.842 1.00 74.10 H new ATOM 0 HD12 LEU A 74 -0.546 -14.751 -7.296 1.00 74.10 H new ATOM 0 HD13 LEU A 74 0.169 -16.362 -7.539 1.00 74.10 H new ATOM 0 HD21 LEU A 74 -0.832 -16.664 -10.439 1.00 63.44 H new ATOM 0 HD22 LEU A 74 -0.936 -17.956 -9.220 1.00 63.44 H new ATOM 0 HD23 LEU A 74 -2.402 -17.417 -10.073 1.00 63.44 H new ATOM 1189 N PRO A 75 -4.991 -17.907 -9.748 1.00 25.14 N ATOM 1190 CA PRO A 75 -5.308 -19.049 -10.638 1.00 21.02 C ATOM 1191 C PRO A 75 -4.058 -19.828 -11.084 1.00 73.20 C ATOM 1192 O PRO A 75 -2.952 -19.281 -11.128 1.00 2.34 O ATOM 1193 CB PRO A 75 -5.992 -18.388 -11.848 1.00 73.20 C ATOM 1194 CG PRO A 75 -6.475 -17.072 -11.340 1.00 1.21 C ATOM 1195 CD PRO A 75 -5.465 -16.634 -10.314 1.00 44.31 C ATOM 0 HA PRO A 75 -5.928 -19.788 -10.131 1.00 21.02 H new ATOM 0 HB2 PRO A 75 -5.295 -18.261 -12.676 1.00 73.20 H new ATOM 0 HB3 PRO A 75 -6.817 -18.997 -12.217 1.00 73.20 H new ATOM 0 HG2 PRO A 75 -6.552 -16.345 -12.148 1.00 1.21 H new ATOM 0 HG3 PRO A 75 -7.467 -17.163 -10.898 1.00 1.21 H new ATOM 0 HD2 PRO A 75 -4.652 -16.066 -10.766 1.00 44.31 H new ATOM 0 HD3 PRO A 75 -5.914 -15.997 -9.552 1.00 44.31 H new ATOM 1203 N TYR A 76 -4.230 -21.100 -11.434 1.00 52.43 N ATOM 1204 CA TYR A 76 -3.083 -21.966 -11.732 1.00 52.22 C ATOM 1205 C TYR A 76 -3.062 -22.470 -13.188 1.00 51.51 C ATOM 1206 O TYR A 76 -3.756 -23.421 -13.550 1.00 51.13 O ATOM 1207 CB TYR A 76 -3.039 -23.151 -10.746 1.00 64.12 C ATOM 1208 CG TYR A 76 -4.300 -24.001 -10.721 1.00 65.24 C ATOM 1209 CD1 TYR A 76 -5.468 -23.532 -10.130 1.00 40.34 C ATOM 1210 CD2 TYR A 76 -4.320 -25.271 -11.288 1.00 11.44 C ATOM 1211 CE1 TYR A 76 -6.615 -24.299 -10.106 1.00 51.02 C ATOM 1212 CE2 TYR A 76 -5.464 -26.044 -11.266 1.00 71.20 C ATOM 1213 CZ TYR A 76 -6.609 -25.553 -10.674 1.00 34.24 C ATOM 1214 OH TYR A 76 -7.752 -26.323 -10.645 1.00 31.13 O ATOM 0 H TYR A 76 -5.140 -21.554 -11.519 1.00 52.43 H new ATOM 0 HA TYR A 76 -2.189 -21.355 -11.608 1.00 52.22 H new ATOM 0 HB2 TYR A 76 -2.192 -23.788 -11.002 1.00 64.12 H new ATOM 0 HB3 TYR A 76 -2.857 -22.765 -9.743 1.00 64.12 H new ATOM 0 HD1 TYR A 76 -5.478 -22.550 -9.682 1.00 40.34 H new ATOM 0 HD2 TYR A 76 -3.426 -25.659 -11.753 1.00 11.44 H new ATOM 0 HE1 TYR A 76 -7.513 -23.917 -9.644 1.00 51.02 H new ATOM 0 HE2 TYR A 76 -5.462 -27.028 -11.710 1.00 71.20 H new ATOM 0 HH TYR A 76 -7.581 -27.180 -11.089 1.00 31.13 H new ATOM 1224 N ASP A 77 -2.274 -21.800 -14.022 1.00 74.14 N ATOM 1225 CA ASP A 77 -1.888 -22.340 -15.327 1.00 24.04 C ATOM 1226 C ASP A 77 -0.515 -23.013 -15.194 1.00 61.04 C ATOM 1227 O ASP A 77 0.503 -22.333 -15.162 1.00 21.32 O ATOM 1228 CB ASP A 77 -1.850 -21.230 -16.385 1.00 21.51 C ATOM 1229 CG ASP A 77 -3.231 -20.679 -16.686 1.00 53.41 C ATOM 1230 OD1 ASP A 77 -3.918 -21.235 -17.567 1.00 14.20 O ATOM 1231 OD2 ASP A 77 -3.640 -19.695 -16.039 1.00 53.02 O ATOM 0 H ASP A 77 -1.887 -20.878 -13.819 1.00 74.14 H new ATOM 0 HA ASP A 77 -2.625 -23.075 -15.651 1.00 24.04 H new ATOM 0 HB2 ASP A 77 -1.206 -20.422 -16.039 1.00 21.51 H new ATOM 0 HB3 ASP A 77 -1.408 -21.619 -17.302 1.00 21.51 H new ATOM 1236 N LYS A 78 -0.520 -24.348 -15.131 1.00 13.33 N ATOM 1237 CA LYS A 78 0.634 -25.174 -14.707 1.00 32.23 C ATOM 1238 C LYS A 78 2.010 -24.476 -14.835 1.00 14.51 C ATOM 1239 O LYS A 78 2.679 -24.216 -13.830 1.00 2.43 O ATOM 1240 CB LYS A 78 0.634 -26.488 -15.503 1.00 35.21 C ATOM 1241 CG LYS A 78 1.595 -27.545 -14.960 1.00 12.54 C ATOM 1242 CD LYS A 78 1.262 -27.945 -13.519 1.00 24.23 C ATOM 1243 CE LYS A 78 -0.159 -28.493 -13.385 1.00 23.15 C ATOM 1244 NZ LYS A 78 -0.365 -29.709 -14.213 1.00 54.15 N ATOM 0 H LYS A 78 -1.339 -24.904 -15.377 1.00 13.33 H new ATOM 0 HA LYS A 78 0.502 -25.358 -13.641 1.00 32.23 H new ATOM 0 HB2 LYS A 78 -0.376 -26.898 -15.507 1.00 35.21 H new ATOM 0 HB3 LYS A 78 0.895 -26.273 -16.539 1.00 35.21 H new ATOM 0 HG2 LYS A 78 1.559 -28.428 -15.598 1.00 12.54 H new ATOM 0 HG3 LYS A 78 2.615 -27.162 -15.003 1.00 12.54 H new ATOM 0 HD2 LYS A 78 1.973 -28.698 -13.179 1.00 24.23 H new ATOM 0 HD3 LYS A 78 1.379 -27.079 -12.867 1.00 24.23 H new ATOM 0 HE2 LYS A 78 -0.360 -28.727 -12.340 1.00 23.15 H new ATOM 0 HE3 LYS A 78 -0.873 -27.726 -13.683 1.00 23.15 H new ATOM 0 HZ1 LYS A 78 -1.299 -30.117 -14.005 1.00 54.15 H new ATOM 0 HZ2 LYS A 78 -0.315 -29.456 -15.220 1.00 54.15 H new ATOM 0 HZ3 LYS A 78 0.374 -30.407 -13.994 1.00 54.15 H new ATOM 1258 N ARG A 79 2.421 -24.166 -16.062 1.00 74.20 N ATOM 1259 CA ARG A 79 3.742 -23.566 -16.310 1.00 50.11 C ATOM 1260 C ARG A 79 3.819 -22.106 -15.823 1.00 11.11 C ATOM 1261 O ARG A 79 4.819 -21.685 -15.232 1.00 33.40 O ATOM 1262 CB ARG A 79 4.079 -23.656 -17.805 1.00 25.21 C ATOM 1263 CG ARG A 79 4.181 -25.093 -18.315 1.00 44.51 C ATOM 1264 CD ARG A 79 4.390 -25.150 -19.825 1.00 52.42 C ATOM 1265 NE ARG A 79 4.479 -26.527 -20.315 1.00 3.21 N ATOM 1266 CZ ARG A 79 3.850 -26.980 -21.365 1.00 40.42 C ATOM 1267 NH1 ARG A 79 3.055 -26.218 -22.047 1.00 44.12 N ATOM 1268 NH2 ARG A 79 4.009 -28.209 -21.729 1.00 1.44 N ATOM 0 H ARG A 79 1.864 -24.318 -16.903 1.00 74.20 H new ATOM 0 HA ARG A 79 4.478 -24.130 -15.737 1.00 50.11 H new ATOM 0 HB2 ARG A 79 3.314 -23.129 -18.375 1.00 25.21 H new ATOM 0 HB3 ARG A 79 5.024 -23.144 -17.989 1.00 25.21 H new ATOM 0 HG2 ARG A 79 5.008 -25.597 -17.815 1.00 44.51 H new ATOM 0 HG3 ARG A 79 3.272 -25.636 -18.054 1.00 44.51 H new ATOM 0 HD2 ARG A 79 3.566 -24.640 -20.324 1.00 52.42 H new ATOM 0 HD3 ARG A 79 5.302 -24.613 -20.085 1.00 52.42 H new ATOM 0 HE ARG A 79 5.073 -27.177 -19.800 1.00 3.21 H new ATOM 0 HH11 ARG A 79 2.913 -25.248 -21.766 1.00 44.12 H new ATOM 0 HH12 ARG A 79 2.571 -26.588 -22.865 1.00 44.12 H new ATOM 0 HH21 ARG A 79 4.625 -28.823 -21.196 1.00 1.44 H new ATOM 0 HH22 ARG A 79 3.519 -28.565 -22.549 1.00 1.44 H new ATOM 1282 N LEU A 80 2.755 -21.342 -16.061 1.00 55.22 N ATOM 1283 CA LEU A 80 2.694 -19.937 -15.632 1.00 43.43 C ATOM 1284 C LEU A 80 2.710 -19.836 -14.098 1.00 70.42 C ATOM 1285 O LEU A 80 3.426 -19.017 -13.523 1.00 34.52 O ATOM 1286 CB LEU A 80 1.431 -19.246 -16.184 1.00 13.45 C ATOM 1287 CG LEU A 80 1.346 -19.090 -17.718 1.00 30.32 C ATOM 1288 CD1 LEU A 80 2.562 -18.346 -18.260 1.00 12.40 C ATOM 1289 CD2 LEU A 80 1.181 -20.444 -18.410 1.00 72.32 C ATOM 0 H LEU A 80 1.920 -21.668 -16.549 1.00 55.22 H new ATOM 0 HA LEU A 80 3.573 -19.431 -16.031 1.00 43.43 H new ATOM 0 HB2 LEU A 80 0.560 -19.810 -15.850 1.00 13.45 H new ATOM 0 HB3 LEU A 80 1.361 -18.255 -15.736 1.00 13.45 H new ATOM 0 HG LEU A 80 0.459 -18.496 -17.939 1.00 30.32 H new ATOM 0 HD11 LEU A 80 2.477 -18.250 -19.342 1.00 12.40 H new ATOM 0 HD12 LEU A 80 2.612 -17.354 -17.810 1.00 12.40 H new ATOM 0 HD13 LEU A 80 3.467 -18.901 -18.015 1.00 12.40 H new ATOM 0 HD21 LEU A 80 1.125 -20.297 -19.489 1.00 72.32 H new ATOM 0 HD22 LEU A 80 2.035 -21.079 -18.175 1.00 72.32 H new ATOM 0 HD23 LEU A 80 0.266 -20.922 -18.061 1.00 72.32 H new ATOM 1301 N ALA A 81 1.918 -20.688 -13.448 1.00 33.34 N ATOM 1302 CA ALA A 81 1.845 -20.738 -11.985 1.00 32.45 C ATOM 1303 C ALA A 81 3.212 -21.054 -11.366 1.00 43.31 C ATOM 1304 O ALA A 81 3.616 -20.431 -10.381 1.00 31.53 O ATOM 1305 CB ALA A 81 0.812 -21.770 -11.549 1.00 2.13 C ATOM 0 H ALA A 81 1.311 -21.361 -13.916 1.00 33.34 H new ATOM 0 HA ALA A 81 1.540 -19.754 -11.628 1.00 32.45 H new ATOM 0 HB1 ALA A 81 0.765 -21.800 -10.460 1.00 2.13 H new ATOM 0 HB2 ALA A 81 -0.165 -21.497 -11.947 1.00 2.13 H new ATOM 0 HB3 ALA A 81 1.097 -22.752 -11.927 1.00 2.13 H new ATOM 1311 N TRP A 82 3.920 -22.019 -11.952 1.00 33.23 N ATOM 1312 CA TRP A 82 5.272 -22.369 -11.501 1.00 63.40 C ATOM 1313 C TRP A 82 6.197 -21.144 -11.508 1.00 51.21 C ATOM 1314 O TRP A 82 6.791 -20.796 -10.487 1.00 50.22 O ATOM 1315 CB TRP A 82 5.872 -23.470 -12.394 1.00 13.20 C ATOM 1316 CG TRP A 82 7.316 -23.782 -12.080 1.00 52.41 C ATOM 1317 CD1 TRP A 82 8.422 -23.172 -12.607 1.00 23.13 C ATOM 1318 CD2 TRP A 82 7.807 -24.777 -11.171 1.00 11.05 C ATOM 1319 NE1 TRP A 82 9.563 -23.715 -12.072 1.00 43.53 N ATOM 1320 CE2 TRP A 82 9.215 -24.705 -11.191 1.00 4.33 C ATOM 1321 CE3 TRP A 82 7.195 -25.717 -10.341 1.00 2.35 C ATOM 1322 CZ2 TRP A 82 10.015 -25.539 -10.413 1.00 10.34 C ATOM 1323 CZ3 TRP A 82 7.990 -26.544 -9.569 1.00 70.12 C ATOM 1324 CH2 TRP A 82 9.387 -26.452 -9.611 1.00 45.24 C ATOM 0 H TRP A 82 3.583 -22.573 -12.739 1.00 33.23 H new ATOM 0 HA TRP A 82 5.190 -22.737 -10.478 1.00 63.40 H new ATOM 0 HB2 TRP A 82 5.280 -24.379 -12.284 1.00 13.20 H new ATOM 0 HB3 TRP A 82 5.794 -23.163 -13.437 1.00 13.20 H new ATOM 0 HD1 TRP A 82 8.400 -22.378 -13.338 1.00 23.13 H new ATOM 0 HE1 TRP A 82 10.516 -23.428 -12.294 1.00 43.53 H new ATOM 0 HE3 TRP A 82 6.119 -25.797 -10.302 1.00 2.35 H new ATOM 0 HZ2 TRP A 82 11.092 -25.467 -10.442 1.00 10.34 H new ATOM 0 HZ3 TRP A 82 7.526 -27.274 -8.922 1.00 70.12 H new ATOM 0 HH2 TRP A 82 9.980 -27.115 -8.998 1.00 45.24 H new ATOM 1335 N HIS A 83 6.306 -20.492 -12.666 1.00 43.41 N ATOM 1336 CA HIS A 83 7.246 -19.379 -12.841 1.00 14.21 C ATOM 1337 C HIS A 83 6.864 -18.151 -11.998 1.00 22.34 C ATOM 1338 O HIS A 83 7.734 -17.482 -11.442 1.00 33.41 O ATOM 1339 CB HIS A 83 7.354 -18.998 -14.322 1.00 43.23 C ATOM 1340 CG HIS A 83 7.891 -20.103 -15.183 1.00 10.43 C ATOM 1341 ND1 HIS A 83 9.056 -20.780 -14.891 1.00 15.12 N ATOM 1342 CD2 HIS A 83 7.413 -20.666 -16.319 1.00 34.42 C ATOM 1343 CE1 HIS A 83 9.270 -21.703 -15.804 1.00 4.43 C ATOM 1344 NE2 HIS A 83 8.292 -21.656 -16.681 1.00 54.11 N ATOM 0 H HIS A 83 5.757 -20.713 -13.497 1.00 43.41 H new ATOM 0 HA HIS A 83 8.218 -19.722 -12.486 1.00 14.21 H new ATOM 0 HB2 HIS A 83 6.369 -18.708 -14.688 1.00 43.23 H new ATOM 0 HB3 HIS A 83 8.000 -18.125 -14.419 1.00 43.23 H new ATOM 0 HD1 HIS A 83 9.659 -20.594 -14.090 1.00 15.12 H new ATOM 0 HD2 HIS A 83 6.510 -20.388 -16.842 1.00 34.42 H new ATOM 0 HE1 HIS A 83 10.108 -22.384 -15.829 1.00 4.43 H new ATOM 1353 N PHE A 84 5.569 -17.860 -11.892 1.00 52.35 N ATOM 1354 CA PHE A 84 5.113 -16.724 -11.083 1.00 12.23 C ATOM 1355 C PHE A 84 5.418 -16.971 -9.592 1.00 53.23 C ATOM 1356 O PHE A 84 6.032 -16.137 -8.915 1.00 71.24 O ATOM 1357 CB PHE A 84 3.611 -16.478 -11.297 1.00 12.15 C ATOM 1358 CG PHE A 84 3.205 -15.041 -11.079 1.00 2.20 C ATOM 1359 CD1 PHE A 84 3.223 -14.141 -12.138 1.00 61.54 C ATOM 1360 CD2 PHE A 84 2.818 -14.587 -9.827 1.00 32.14 C ATOM 1361 CE1 PHE A 84 2.864 -12.821 -11.953 1.00 42.45 C ATOM 1362 CE2 PHE A 84 2.456 -13.266 -9.637 1.00 5.00 C ATOM 1363 CZ PHE A 84 2.480 -12.382 -10.701 1.00 22.13 C ATOM 0 H PHE A 84 4.823 -18.385 -12.348 1.00 52.35 H new ATOM 0 HA PHE A 84 5.653 -15.832 -11.401 1.00 12.23 H new ATOM 0 HB2 PHE A 84 3.342 -16.775 -12.311 1.00 12.15 H new ATOM 0 HB3 PHE A 84 3.045 -17.115 -10.618 1.00 12.15 H new ATOM 0 HD1 PHE A 84 3.522 -14.479 -13.119 1.00 61.54 H new ATOM 0 HD2 PHE A 84 2.799 -15.272 -8.992 1.00 32.14 H new ATOM 0 HE1 PHE A 84 2.883 -12.133 -12.785 1.00 42.45 H new ATOM 0 HE2 PHE A 84 2.154 -12.924 -8.658 1.00 5.00 H new ATOM 0 HZ PHE A 84 2.199 -11.350 -10.553 1.00 22.13 H new ATOM 1373 N LYS A 85 4.993 -18.134 -9.091 1.00 32.23 N ATOM 1374 CA LYS A 85 5.344 -18.566 -7.732 1.00 3.52 C ATOM 1375 C LYS A 85 6.869 -18.625 -7.541 1.00 44.14 C ATOM 1376 O LYS A 85 7.368 -18.395 -6.443 1.00 23.24 O ATOM 1377 CB LYS A 85 4.717 -19.936 -7.410 1.00 25.41 C ATOM 1378 CG LYS A 85 3.315 -19.864 -6.801 1.00 3.40 C ATOM 1379 CD LYS A 85 2.326 -19.108 -7.685 1.00 54.14 C ATOM 1380 CE LYS A 85 0.925 -19.090 -7.077 1.00 34.52 C ATOM 1381 NZ LYS A 85 0.325 -20.453 -7.016 1.00 45.41 N ATOM 0 H LYS A 85 4.407 -18.793 -9.603 1.00 32.23 H new ATOM 0 HA LYS A 85 4.940 -17.826 -7.040 1.00 3.52 H new ATOM 0 HB2 LYS A 85 4.672 -20.525 -8.326 1.00 25.41 H new ATOM 0 HB3 LYS A 85 5.372 -20.468 -6.720 1.00 25.41 H new ATOM 0 HG2 LYS A 85 2.945 -20.875 -6.631 1.00 3.40 H new ATOM 0 HG3 LYS A 85 3.371 -19.377 -5.827 1.00 3.40 H new ATOM 0 HD2 LYS A 85 2.674 -18.085 -7.828 1.00 54.14 H new ATOM 0 HD3 LYS A 85 2.289 -19.573 -8.670 1.00 54.14 H new ATOM 0 HE2 LYS A 85 0.971 -18.669 -6.073 1.00 34.52 H new ATOM 0 HE3 LYS A 85 0.282 -18.437 -7.667 1.00 34.52 H new ATOM 0 HZ1 LYS A 85 -0.684 -20.378 -6.775 1.00 45.41 H new ATOM 0 HZ2 LYS A 85 0.426 -20.919 -7.940 1.00 45.41 H new ATOM 0 HZ3 LYS A 85 0.813 -21.015 -6.290 1.00 45.41 H new ATOM 1395 N GLU A 86 7.599 -18.932 -8.613 1.00 62.01 N ATOM 1396 CA GLU A 86 9.067 -18.936 -8.578 1.00 3.13 C ATOM 1397 C GLU A 86 9.599 -17.562 -8.136 1.00 52.13 C ATOM 1398 O GLU A 86 10.244 -17.440 -7.101 1.00 51.32 O ATOM 1399 CB GLU A 86 9.635 -19.286 -9.964 1.00 45.24 C ATOM 1400 CG GLU A 86 11.145 -19.529 -9.989 1.00 54.02 C ATOM 1401 CD GLU A 86 11.525 -20.938 -9.551 1.00 22.34 C ATOM 1402 OE1 GLU A 86 11.596 -21.193 -8.329 1.00 72.51 O ATOM 1403 OE2 GLU A 86 11.748 -21.796 -10.436 1.00 11.11 O ATOM 0 H GLU A 86 7.201 -19.182 -9.518 1.00 62.01 H new ATOM 0 HA GLU A 86 9.388 -19.690 -7.859 1.00 3.13 H new ATOM 0 HB2 GLU A 86 9.130 -20.178 -10.335 1.00 45.24 H new ATOM 0 HB3 GLU A 86 9.399 -18.476 -10.654 1.00 45.24 H new ATOM 0 HG2 GLU A 86 11.520 -19.354 -10.997 1.00 54.02 H new ATOM 0 HG3 GLU A 86 11.635 -18.806 -9.337 1.00 54.02 H new ATOM 1410 N PHE A 87 9.296 -16.522 -8.912 1.00 53.54 N ATOM 1411 CA PHE A 87 9.773 -15.164 -8.608 1.00 13.32 C ATOM 1412 C PHE A 87 9.383 -14.720 -7.187 1.00 15.44 C ATOM 1413 O PHE A 87 10.159 -14.051 -6.501 1.00 31.51 O ATOM 1414 CB PHE A 87 9.221 -14.155 -9.626 1.00 75.23 C ATOM 1415 CG PHE A 87 9.559 -14.489 -11.058 1.00 71.41 C ATOM 1416 CD1 PHE A 87 10.879 -14.657 -11.453 1.00 20.22 C ATOM 1417 CD2 PHE A 87 8.556 -14.641 -12.006 1.00 24.32 C ATOM 1418 CE1 PHE A 87 11.190 -14.968 -12.762 1.00 63.33 C ATOM 1419 CE2 PHE A 87 8.864 -14.955 -13.316 1.00 1.54 C ATOM 1420 CZ PHE A 87 10.182 -15.117 -13.693 1.00 34.11 C ATOM 0 H PHE A 87 8.725 -16.588 -9.754 1.00 53.54 H new ATOM 0 HA PHE A 87 10.861 -15.190 -8.671 1.00 13.32 H new ATOM 0 HB2 PHE A 87 8.137 -14.103 -9.521 1.00 75.23 H new ATOM 0 HB3 PHE A 87 9.612 -13.165 -9.391 1.00 75.23 H new ATOM 0 HD1 PHE A 87 11.672 -14.543 -10.728 1.00 20.22 H new ATOM 0 HD2 PHE A 87 7.524 -14.512 -11.716 1.00 24.32 H new ATOM 0 HE1 PHE A 87 12.221 -15.095 -13.057 1.00 63.33 H new ATOM 0 HE2 PHE A 87 8.075 -15.073 -14.044 1.00 1.54 H new ATOM 0 HZ PHE A 87 10.425 -15.360 -14.717 1.00 34.11 H new ATOM 1430 N CYS A 88 8.183 -15.103 -6.750 1.00 31.25 N ATOM 1431 CA CYS A 88 7.672 -14.685 -5.433 1.00 74.43 C ATOM 1432 C CYS A 88 8.124 -15.614 -4.288 1.00 61.42 C ATOM 1433 O CYS A 88 8.136 -15.204 -3.126 1.00 72.14 O ATOM 1434 CB CYS A 88 6.137 -14.628 -5.451 1.00 40.54 C ATOM 1435 SG CYS A 88 5.335 -16.242 -5.590 1.00 21.14 S ATOM 0 H CYS A 88 7.546 -15.698 -7.280 1.00 31.25 H new ATOM 0 HA CYS A 88 8.090 -13.697 -5.243 1.00 74.43 H new ATOM 0 HB2 CYS A 88 5.792 -14.141 -4.539 1.00 40.54 H new ATOM 0 HB3 CYS A 88 5.818 -14.004 -6.285 1.00 40.54 H new ATOM 0 HG CYS A 88 6.239 -17.164 -5.743 1.00 21.14 H new ATOM 1441 N TYR A 89 8.505 -16.857 -4.602 1.00 1.20 N ATOM 1442 CA TYR A 89 8.759 -17.869 -3.556 1.00 2.53 C ATOM 1443 C TYR A 89 10.044 -18.698 -3.808 1.00 61.34 C ATOM 1444 O TYR A 89 10.258 -19.735 -3.178 1.00 1.43 O ATOM 1445 CB TYR A 89 7.526 -18.788 -3.452 1.00 73.54 C ATOM 1446 CG TYR A 89 7.554 -19.767 -2.293 1.00 31.24 C ATOM 1447 CD1 TYR A 89 7.656 -19.320 -0.977 1.00 63.51 C ATOM 1448 CD2 TYR A 89 7.463 -21.138 -2.514 1.00 50.13 C ATOM 1449 CE1 TYR A 89 7.671 -20.211 0.078 1.00 54.35 C ATOM 1450 CE2 TYR A 89 7.479 -22.032 -1.463 1.00 52.20 C ATOM 1451 CZ TYR A 89 7.583 -21.565 -0.171 1.00 72.21 C ATOM 1452 OH TYR A 89 7.597 -22.457 0.876 1.00 34.44 O ATOM 0 H TYR A 89 8.644 -17.189 -5.556 1.00 1.20 H new ATOM 0 HA TYR A 89 8.926 -17.346 -2.614 1.00 2.53 H new ATOM 0 HB2 TYR A 89 6.635 -18.167 -3.362 1.00 73.54 H new ATOM 0 HB3 TYR A 89 7.431 -19.350 -4.381 1.00 73.54 H new ATOM 0 HD1 TYR A 89 7.724 -18.260 -0.779 1.00 63.51 H new ATOM 0 HD2 TYR A 89 7.378 -21.508 -3.525 1.00 50.13 H new ATOM 0 HE1 TYR A 89 7.751 -19.850 1.093 1.00 54.35 H new ATOM 0 HE2 TYR A 89 7.410 -23.093 -1.652 1.00 52.20 H new ATOM 0 HH TYR A 89 7.526 -23.371 0.528 1.00 34.44 H new ATOM 1462 N LYS A 90 10.907 -18.231 -4.707 1.00 62.24 N ATOM 1463 CA LYS A 90 12.181 -18.916 -4.993 1.00 3.41 C ATOM 1464 C LYS A 90 13.112 -18.893 -3.764 1.00 4.23 C ATOM 1465 O LYS A 90 13.193 -17.892 -3.049 1.00 15.22 O ATOM 1466 CB LYS A 90 12.856 -18.259 -6.218 1.00 72.11 C ATOM 1467 CG LYS A 90 14.169 -18.904 -6.675 1.00 55.13 C ATOM 1468 CD LYS A 90 15.374 -18.362 -5.910 1.00 41.21 C ATOM 1469 CE LYS A 90 16.680 -18.967 -6.398 1.00 41.34 C ATOM 1470 NZ LYS A 90 17.840 -18.428 -5.646 1.00 11.41 N ATOM 0 H LYS A 90 10.755 -17.383 -5.253 1.00 62.24 H new ATOM 0 HA LYS A 90 11.977 -19.962 -5.222 1.00 3.41 H new ATOM 0 HB2 LYS A 90 12.153 -18.278 -7.051 1.00 72.11 H new ATOM 0 HB3 LYS A 90 13.048 -17.211 -5.986 1.00 72.11 H new ATOM 0 HG2 LYS A 90 14.109 -19.984 -6.537 1.00 55.13 H new ATOM 0 HG3 LYS A 90 14.308 -18.726 -7.741 1.00 55.13 H new ATOM 0 HD2 LYS A 90 15.414 -17.278 -6.018 1.00 41.21 H new ATOM 0 HD3 LYS A 90 15.253 -18.572 -4.847 1.00 41.21 H new ATOM 0 HE2 LYS A 90 16.645 -20.051 -6.288 1.00 41.34 H new ATOM 0 HE3 LYS A 90 16.805 -18.759 -7.461 1.00 41.34 H new ATOM 0 HZ1 LYS A 90 18.569 -18.107 -6.315 1.00 11.41 H new ATOM 0 HZ2 LYS A 90 17.531 -17.627 -5.059 1.00 11.41 H new ATOM 0 HZ3 LYS A 90 18.234 -19.172 -5.036 1.00 11.41 H new ATOM 1484 N THR A 91 13.809 -20.005 -3.513 1.00 10.24 N ATOM 1485 CA THR A 91 14.737 -20.098 -2.371 1.00 2.21 C ATOM 1486 C THR A 91 16.152 -20.546 -2.796 1.00 71.33 C ATOM 1487 O THR A 91 16.976 -19.719 -3.200 1.00 72.52 O ATOM 1488 CB THR A 91 14.202 -21.053 -1.269 1.00 54.31 C ATOM 1489 OG1 THR A 91 13.919 -22.350 -1.822 1.00 44.35 O ATOM 1490 CG2 THR A 91 12.941 -20.494 -0.619 1.00 5.24 C ATOM 0 H THR A 91 13.752 -20.852 -4.079 1.00 10.24 H new ATOM 0 HA THR A 91 14.806 -19.089 -1.963 1.00 2.21 H new ATOM 0 HB THR A 91 14.977 -21.144 -0.508 1.00 54.31 H new ATOM 0 HG1 THR A 91 13.584 -22.941 -1.115 1.00 44.35 H new ATOM 0 HG21 THR A 91 12.590 -21.185 0.148 1.00 5.24 H new ATOM 0 HG22 THR A 91 13.163 -19.529 -0.164 1.00 5.24 H new ATOM 0 HG23 THR A 91 12.167 -20.369 -1.376 1.00 5.24 H new ATOM 1498 N SER A 92 16.425 -21.852 -2.732 1.00 52.10 N ATOM 1499 CA SER A 92 17.771 -22.384 -3.013 1.00 45.15 C ATOM 1500 C SER A 92 18.117 -22.306 -4.507 1.00 62.24 C ATOM 1501 O SER A 92 17.392 -22.827 -5.347 1.00 75.24 O ATOM 1502 CB SER A 92 17.878 -23.837 -2.534 1.00 2.13 C ATOM 1503 OG SER A 92 17.584 -23.944 -1.148 1.00 74.02 O ATOM 0 H SER A 92 15.736 -22.564 -2.489 1.00 52.10 H new ATOM 0 HA SER A 92 18.485 -21.765 -2.470 1.00 45.15 H new ATOM 0 HB2 SER A 92 17.190 -24.462 -3.104 1.00 2.13 H new ATOM 0 HB3 SER A 92 18.883 -24.213 -2.725 1.00 2.13 H new ATOM 0 HG SER A 92 17.658 -24.881 -0.869 1.00 74.02 H new ATOM 1509 N ALA A 93 19.241 -21.670 -4.828 1.00 14.50 N ATOM 1510 CA ALA A 93 19.658 -21.485 -6.222 1.00 22.42 C ATOM 1511 C ALA A 93 20.450 -22.688 -6.750 1.00 12.35 C ATOM 1512 O ALA A 93 21.652 -22.804 -6.512 1.00 74.33 O ATOM 1513 CB ALA A 93 20.488 -20.212 -6.354 1.00 73.31 C ATOM 0 H ALA A 93 19.883 -21.272 -4.142 1.00 14.50 H new ATOM 0 HA ALA A 93 18.755 -21.397 -6.826 1.00 22.42 H new ATOM 0 HB1 ALA A 93 20.793 -20.083 -7.392 1.00 73.31 H new ATOM 0 HB2 ALA A 93 19.892 -19.355 -6.042 1.00 73.31 H new ATOM 0 HB3 ALA A 93 21.373 -20.288 -5.722 1.00 73.31 H new