USER MOD reduce.3.24.130724 H: found=0, std=0, add=914, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 914 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 81 GLN : amide:sc= 0.376 X(o=-0.41,f=-0.64) USER MOD Set 1.2: A 85 ASN : amide:sc= -0.786 X(o=-0.41,f=-0.64) USER MOD Set 2.1: A 13 LYS NZ :NH3+ 162:sc= 2.12 (180deg=-0.551) USER MOD Set 2.2: A 39 TYR OH : rot 130:sc= 0.917 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -119:sc= 0.00842 (180deg=-0.0211) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 HIS : no HD1:sc= -0.568 X(o=-0.57,f=-0.12) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= -0.2 USER MOD Single : A 19 GLN : amide:sc= -1.22 K(o=-1.2,f=-3) USER MOD Single : A 20 ASN : amide:sc= -0.155 K(o=-0.16,f=-1.2) USER MOD Single : A 27 GLN :FLIP amide:sc= -0.557 F(o=-1.2,f=-0.56) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 140:sc= 0.767 USER MOD Single : A 38 SER OG : rot 180:sc= -0.179 USER MOD Single : A 49 GLN :FLIP amide:sc= -0.0114 F(o=-0.62,f=-0.011) USER MOD Single : A 50 GLN : amide:sc= 0.085 X(o=0.085,f=0) USER MOD Single : A 52 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0257) USER MOD Single : A 58 LYS NZ :NH3+ -171:sc=-0.00914 (180deg=-0.0853) USER MOD Single : A 59 HIS : no HD1:sc= -0.0252 X(o=-0.025,f=-0.025) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 71 ASN : amide:sc= -0.839 X(o=-0.84,f=-1.3) USER MOD Single : A 72 GLN : amide:sc= -1.1 K(o=-1.1,f=-1.9) USER MOD Single : A 74 THR OG1 : rot 69:sc= 1.06 USER MOD Single : A 78 ASN : amide:sc= 0.879 K(o=0.88,f=-0.073) USER MOD Single : A 84 LYS NZ :NH3+ -153:sc= -1.83! (180deg=-2.96!) USER MOD Single : A 86 GLN :FLIP amide:sc= -1.02 F(o=-1.6,f=-1) USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 MET CE :methyl 144:sc= 0 (180deg=-0.404) USER MOD Single : A 96 GLN : amide:sc=-0.00636 X(o=-0.0064,f=-0.25) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc=-0.00606 USER MOD Single : A 108 ASN : amide:sc= -0.595 X(o=-0.59,f=-0.61) USER MOD Single : A 111 HIS : no HD1:sc= 0.835 K(o=0.84,f=-3.2!) USER MOD Single : A 112 HIS : no HD1:sc=-0.00462 X(o=-0.0046,f=-0.2) USER MOD Single : A 113 HIS :FLIP no HD1:sc= -0.617 F(o=-1.2,f=-0.62) USER MOD Single : A 114 HIS : no HD1:sc= -0.452 X(o=-0.45,f=-0.36) USER MOD Single : A 115 HIS : no HD1:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 116 HIS : no HE2:sc= -0.164 K(o=-0.16,f=-1.6) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.089 -26.526 -11.879 1.00 63.05 N ATOM 2 CA MET A 1 -0.955 -27.580 -12.006 1.00 55.43 C ATOM 3 C MET A 1 -2.262 -27.148 -11.329 1.00 31.42 C ATOM 4 O MET A 1 -2.241 -26.438 -10.325 1.00 72.22 O ATOM 5 CB MET A 1 -0.462 -28.892 -11.380 1.00 0.24 C ATOM 6 CG MET A 1 0.695 -29.535 -12.129 1.00 44.31 C ATOM 7 SD MET A 1 0.280 -29.919 -13.842 1.00 35.51 S ATOM 8 CE MET A 1 1.765 -30.779 -14.367 1.00 61.22 C ATOM 0 H1 MET A 1 0.373 -26.202 -12.826 1.00 63.05 H new ATOM 0 H2 MET A 1 -0.292 -25.723 -11.339 1.00 63.05 H new ATOM 0 H3 MET A 1 0.917 -26.915 -11.384 1.00 63.05 H new ATOM 0 HA MET A 1 -1.149 -27.733 -13.068 1.00 55.43 H new ATOM 0 HB2 MET A 1 -0.155 -28.700 -10.352 1.00 0.24 H new ATOM 0 HB3 MET A 1 -1.292 -29.598 -11.338 1.00 0.24 H new ATOM 0 HG2 MET A 1 1.554 -28.865 -12.108 1.00 44.31 H new ATOM 0 HG3 MET A 1 0.992 -30.450 -11.616 1.00 44.31 H new ATOM 0 HE1 MET A 1 1.661 -31.081 -15.409 1.00 61.22 H new ATOM 0 HE2 MET A 1 2.624 -30.116 -14.265 1.00 61.22 H new ATOM 0 HE3 MET A 1 1.912 -31.663 -13.746 1.00 61.22 H new ATOM 20 N ALA A 2 -3.394 -27.595 -11.874 1.00 4.31 N ATOM 21 CA ALA A 2 -4.716 -27.254 -11.329 1.00 3.05 C ATOM 22 C ALA A 2 -5.057 -28.111 -10.099 1.00 43.53 C ATOM 23 O ALA A 2 -5.742 -27.657 -9.181 1.00 12.53 O ATOM 24 CB ALA A 2 -5.785 -27.419 -12.407 1.00 14.52 C ATOM 0 H ALA A 2 -3.425 -28.197 -12.697 1.00 4.31 H new ATOM 0 HA ALA A 2 -4.690 -26.213 -11.008 1.00 3.05 H new ATOM 0 HB1 ALA A 2 -6.761 -27.164 -11.994 1.00 14.52 H new ATOM 0 HB2 ALA A 2 -5.562 -26.758 -13.245 1.00 14.52 H new ATOM 0 HB3 ALA A 2 -5.796 -28.453 -12.753 1.00 14.52 H new ATOM 30 N ALA A 3 -4.568 -29.350 -10.085 1.00 72.41 N ATOM 31 CA ALA A 3 -4.803 -30.270 -8.962 1.00 54.32 C ATOM 32 C ALA A 3 -3.731 -30.123 -7.864 1.00 30.01 C ATOM 33 O ALA A 3 -3.618 -30.969 -6.968 1.00 64.24 O ATOM 34 CB ALA A 3 -4.850 -31.706 -9.476 1.00 62.55 C ATOM 0 H ALA A 3 -4.005 -29.745 -10.838 1.00 72.41 H new ATOM 0 HA ALA A 3 -5.762 -30.014 -8.511 1.00 54.32 H new ATOM 0 HB1 ALA A 3 -5.024 -32.386 -8.642 1.00 62.55 H new ATOM 0 HB2 ALA A 3 -5.658 -31.807 -10.201 1.00 62.55 H new ATOM 0 HB3 ALA A 3 -3.902 -31.953 -9.953 1.00 62.55 H new ATOM 40 N SER A 4 -2.961 -29.040 -7.927 1.00 62.54 N ATOM 41 CA SER A 4 -1.894 -28.779 -6.949 1.00 13.04 C ATOM 42 C SER A 4 -1.957 -27.341 -6.427 1.00 33.00 C ATOM 43 O SER A 4 -2.626 -26.487 -7.009 1.00 70.30 O ATOM 44 CB SER A 4 -0.516 -29.045 -7.572 1.00 72.33 C ATOM 45 OG SER A 4 -0.399 -30.393 -8.002 1.00 33.32 O ATOM 0 H SER A 4 -3.052 -28.323 -8.646 1.00 62.54 H new ATOM 0 HA SER A 4 -2.045 -29.457 -6.109 1.00 13.04 H new ATOM 0 HB2 SER A 4 -0.361 -28.376 -8.418 1.00 72.33 H new ATOM 0 HB3 SER A 4 0.264 -28.824 -6.844 1.00 72.33 H new ATOM 0 HG SER A 4 0.487 -30.535 -8.396 1.00 33.32 H new ATOM 51 N THR A 5 -1.259 -27.079 -5.327 1.00 34.14 N ATOM 52 CA THR A 5 -1.268 -25.751 -4.698 1.00 12.21 C ATOM 53 C THR A 5 -0.340 -24.769 -5.431 1.00 10.35 C ATOM 54 O THR A 5 0.865 -24.998 -5.535 1.00 63.43 O ATOM 55 CB THR A 5 -0.846 -25.835 -3.210 1.00 25.13 C ATOM 56 OG1 THR A 5 -1.692 -26.766 -2.516 1.00 3.24 O ATOM 57 CG2 THR A 5 -0.924 -24.468 -2.532 1.00 32.11 C ATOM 0 H THR A 5 -0.677 -27.766 -4.847 1.00 34.14 H new ATOM 0 HA THR A 5 -2.291 -25.381 -4.763 1.00 12.21 H new ATOM 0 HB THR A 5 0.189 -26.176 -3.172 1.00 25.13 H new ATOM 0 HG1 THR A 5 -1.420 -26.817 -1.576 1.00 3.24 H new ATOM 0 HG21 THR A 5 -0.622 -24.561 -1.489 1.00 32.11 H new ATOM 0 HG22 THR A 5 -0.259 -23.771 -3.042 1.00 32.11 H new ATOM 0 HG23 THR A 5 -1.947 -24.095 -2.581 1.00 32.11 H new ATOM 65 N VAL A 6 -0.908 -23.681 -5.943 1.00 40.44 N ATOM 66 CA VAL A 6 -0.128 -22.662 -6.656 1.00 32.31 C ATOM 67 C VAL A 6 0.684 -21.782 -5.686 1.00 55.42 C ATOM 68 O VAL A 6 0.201 -21.403 -4.616 1.00 60.20 O ATOM 69 CB VAL A 6 -1.048 -21.765 -7.529 1.00 4.45 C ATOM 70 CG1 VAL A 6 -2.100 -21.057 -6.672 1.00 35.12 C ATOM 71 CG2 VAL A 6 -0.228 -20.753 -8.335 1.00 23.34 C ATOM 0 H VAL A 6 -1.906 -23.478 -5.880 1.00 40.44 H new ATOM 0 HA VAL A 6 0.570 -23.193 -7.303 1.00 32.31 H new ATOM 0 HB VAL A 6 -1.569 -22.412 -8.235 1.00 4.45 H new ATOM 0 HG11 VAL A 6 -2.730 -20.436 -7.309 1.00 35.12 H new ATOM 0 HG12 VAL A 6 -2.716 -21.800 -6.165 1.00 35.12 H new ATOM 0 HG13 VAL A 6 -1.604 -20.430 -5.931 1.00 35.12 H new ATOM 0 HG21 VAL A 6 -0.898 -20.139 -8.937 1.00 23.34 H new ATOM 0 HG22 VAL A 6 0.335 -20.115 -7.653 1.00 23.34 H new ATOM 0 HG23 VAL A 6 0.463 -21.284 -8.989 1.00 23.34 H new ATOM 81 N HIS A 7 1.928 -21.473 -6.055 1.00 21.14 N ATOM 82 CA HIS A 7 2.775 -20.587 -5.245 1.00 75.35 C ATOM 83 C HIS A 7 2.817 -19.163 -5.829 1.00 40.53 C ATOM 84 O HIS A 7 3.350 -18.935 -6.918 1.00 52.53 O ATOM 85 CB HIS A 7 4.195 -21.167 -5.102 1.00 23.44 C ATOM 86 CG HIS A 7 4.842 -21.563 -6.398 1.00 40.45 C ATOM 87 ND1 HIS A 7 4.886 -22.864 -6.846 1.00 4.12 N ATOM 88 CD2 HIS A 7 5.494 -20.829 -7.334 1.00 4.21 C ATOM 89 CE1 HIS A 7 5.531 -22.915 -7.991 1.00 41.21 C ATOM 90 NE2 HIS A 7 5.909 -21.696 -8.312 1.00 12.41 N ATOM 0 H HIS A 7 2.373 -21.820 -6.905 1.00 21.14 H new ATOM 0 HA HIS A 7 2.333 -20.522 -4.251 1.00 75.35 H new ATOM 0 HB2 HIS A 7 4.826 -20.429 -4.606 1.00 23.44 H new ATOM 0 HB3 HIS A 7 4.153 -22.040 -4.450 1.00 23.44 H new ATOM 0 HD2 HIS A 7 5.656 -19.761 -7.313 1.00 4.21 H new ATOM 0 HE1 HIS A 7 5.719 -23.807 -8.570 1.00 41.21 H new ATOM 0 HE2 HIS A 7 6.427 -21.438 -9.152 1.00 12.41 H new ATOM 99 N THR A 8 2.235 -18.211 -5.106 1.00 44.45 N ATOM 100 CA THR A 8 2.190 -16.809 -5.542 1.00 51.20 C ATOM 101 C THR A 8 2.155 -15.856 -4.337 1.00 51.10 C ATOM 102 O THR A 8 1.185 -15.832 -3.579 1.00 44.22 O ATOM 103 CB THR A 8 0.961 -16.528 -6.448 1.00 14.24 C ATOM 104 OG1 THR A 8 1.046 -17.308 -7.656 1.00 22.00 O ATOM 105 CG2 THR A 8 0.857 -15.046 -6.811 1.00 3.14 C ATOM 0 H THR A 8 1.783 -18.382 -4.208 1.00 44.45 H new ATOM 0 HA THR A 8 3.098 -16.631 -6.118 1.00 51.20 H new ATOM 0 HB THR A 8 0.070 -16.809 -5.887 1.00 14.24 H new ATOM 0 HG1 THR A 8 0.265 -17.125 -8.219 1.00 22.00 H new ATOM 0 HG21 THR A 8 -0.015 -14.887 -7.446 1.00 3.14 H new ATOM 0 HG22 THR A 8 0.756 -14.455 -5.901 1.00 3.14 H new ATOM 0 HG23 THR A 8 1.756 -14.738 -7.345 1.00 3.14 H new ATOM 113 N SER A 9 3.228 -15.086 -4.159 1.00 62.43 N ATOM 114 CA SER A 9 3.311 -14.105 -3.067 1.00 73.14 C ATOM 115 C SER A 9 2.803 -12.731 -3.522 1.00 73.22 C ATOM 116 O SER A 9 2.495 -12.534 -4.698 1.00 22.32 O ATOM 117 CB SER A 9 4.756 -13.991 -2.554 1.00 74.42 C ATOM 118 OG SER A 9 4.853 -13.069 -1.476 1.00 12.41 O ATOM 0 H SER A 9 4.055 -15.120 -4.755 1.00 62.43 H new ATOM 0 HA SER A 9 2.675 -14.454 -2.254 1.00 73.14 H new ATOM 0 HB2 SER A 9 5.107 -14.971 -2.229 1.00 74.42 H new ATOM 0 HB3 SER A 9 5.408 -13.672 -3.367 1.00 74.42 H new ATOM 0 HG SER A 9 5.783 -13.020 -1.170 1.00 12.41 H new ATOM 124 N PHE A 10 2.711 -11.778 -2.595 1.00 70.35 N ATOM 125 CA PHE A 10 2.154 -10.452 -2.902 1.00 42.51 C ATOM 126 C PHE A 10 3.038 -9.313 -2.363 1.00 43.31 C ATOM 127 O PHE A 10 3.496 -9.350 -1.216 1.00 13.41 O ATOM 128 CB PHE A 10 0.729 -10.333 -2.335 1.00 43.54 C ATOM 129 CG PHE A 10 -0.260 -11.268 -2.989 1.00 64.43 C ATOM 130 CD1 PHE A 10 -0.411 -12.572 -2.537 1.00 75.01 C ATOM 131 CD2 PHE A 10 -1.029 -10.844 -4.061 1.00 24.01 C ATOM 132 CE1 PHE A 10 -1.308 -13.431 -3.141 1.00 45.40 C ATOM 133 CE2 PHE A 10 -1.927 -11.700 -4.670 1.00 43.14 C ATOM 134 CZ PHE A 10 -2.066 -12.995 -4.209 1.00 2.33 C ATOM 0 H PHE A 10 3.013 -11.894 -1.628 1.00 70.35 H new ATOM 0 HA PHE A 10 2.123 -10.353 -3.987 1.00 42.51 H new ATOM 0 HB2 PHE A 10 0.755 -10.535 -1.264 1.00 43.54 H new ATOM 0 HB3 PHE A 10 0.382 -9.307 -2.457 1.00 43.54 H new ATOM 0 HD1 PHE A 10 0.180 -12.919 -1.703 1.00 75.01 H new ATOM 0 HD2 PHE A 10 -0.925 -9.832 -4.425 1.00 24.01 H new ATOM 0 HE1 PHE A 10 -1.416 -14.442 -2.778 1.00 45.40 H new ATOM 0 HE2 PHE A 10 -2.519 -11.357 -5.505 1.00 43.14 H new ATOM 0 HZ PHE A 10 -2.767 -13.665 -4.684 1.00 2.33 H new ATOM 144 N ILE A 11 3.268 -8.305 -3.207 1.00 32.23 N ATOM 145 CA ILE A 11 4.081 -7.136 -2.848 1.00 45.41 C ATOM 146 C ILE A 11 3.223 -5.858 -2.832 1.00 45.22 C ATOM 147 O ILE A 11 2.301 -5.713 -3.631 1.00 11.55 O ATOM 148 CB ILE A 11 5.247 -6.936 -3.856 1.00 2.30 C ATOM 149 CG1 ILE A 11 6.071 -8.226 -3.995 1.00 72.33 C ATOM 150 CG2 ILE A 11 6.140 -5.769 -3.428 1.00 3.21 C ATOM 151 CD1 ILE A 11 7.253 -8.097 -4.938 1.00 50.03 C ATOM 0 H ILE A 11 2.898 -8.274 -4.157 1.00 32.23 H new ATOM 0 HA ILE A 11 4.488 -7.319 -1.853 1.00 45.41 H new ATOM 0 HB ILE A 11 4.818 -6.697 -4.829 1.00 2.30 H new ATOM 0 HG12 ILE A 11 6.434 -8.523 -3.011 1.00 72.33 H new ATOM 0 HG13 ILE A 11 5.420 -9.026 -4.349 1.00 72.33 H new ATOM 0 HG21 ILE A 11 6.949 -5.647 -4.148 1.00 3.21 H new ATOM 0 HG22 ILE A 11 5.549 -4.854 -3.388 1.00 3.21 H new ATOM 0 HG23 ILE A 11 6.559 -5.974 -2.443 1.00 3.21 H new ATOM 0 HD11 ILE A 11 7.786 -9.046 -4.985 1.00 50.03 H new ATOM 0 HD12 ILE A 11 6.897 -7.831 -5.933 1.00 50.03 H new ATOM 0 HD13 ILE A 11 7.926 -7.321 -4.574 1.00 50.03 H new ATOM 163 N LEU A 12 3.529 -4.940 -1.921 1.00 63.00 N ATOM 164 CA LEU A 12 2.844 -3.640 -1.864 1.00 2.20 C ATOM 165 C LEU A 12 3.741 -2.517 -2.408 1.00 23.34 C ATOM 166 O LEU A 12 4.871 -2.335 -1.944 1.00 75.14 O ATOM 167 CB LEU A 12 2.435 -3.317 -0.422 1.00 42.13 C ATOM 168 CG LEU A 12 1.670 -1.992 -0.236 1.00 41.12 C ATOM 169 CD1 LEU A 12 0.281 -2.068 -0.871 1.00 20.21 C ATOM 170 CD2 LEU A 12 1.573 -1.631 1.243 1.00 23.43 C ATOM 0 H LEU A 12 4.247 -5.066 -1.208 1.00 63.00 H new ATOM 0 HA LEU A 12 1.953 -3.705 -2.488 1.00 2.20 H new ATOM 0 HB2 LEU A 12 1.815 -4.131 -0.046 1.00 42.13 H new ATOM 0 HB3 LEU A 12 3.333 -3.289 0.195 1.00 42.13 H new ATOM 0 HG LEU A 12 2.227 -1.204 -0.744 1.00 41.12 H new ATOM 0 HD11 LEU A 12 -0.238 -1.120 -0.726 1.00 20.21 H new ATOM 0 HD12 LEU A 12 0.379 -2.268 -1.938 1.00 20.21 H new ATOM 0 HD13 LEU A 12 -0.290 -2.870 -0.403 1.00 20.21 H new ATOM 0 HD21 LEU A 12 1.030 -0.693 1.354 1.00 23.43 H new ATOM 0 HD22 LEU A 12 1.045 -2.421 1.777 1.00 23.43 H new ATOM 0 HD23 LEU A 12 2.575 -1.521 1.657 1.00 23.43 H new ATOM 182 N LYS A 13 3.248 -1.770 -3.396 1.00 74.40 N ATOM 183 CA LYS A 13 3.978 -0.610 -3.921 1.00 41.23 C ATOM 184 C LYS A 13 3.269 0.705 -3.551 1.00 14.24 C ATOM 185 O LYS A 13 2.042 0.806 -3.626 1.00 1.31 O ATOM 186 CB LYS A 13 4.143 -0.693 -5.447 1.00 12.45 C ATOM 187 CG LYS A 13 4.782 -1.992 -5.942 1.00 51.55 C ATOM 188 CD LYS A 13 5.447 -1.825 -7.313 1.00 42.12 C ATOM 189 CE LYS A 13 4.548 -1.109 -8.317 1.00 3.21 C ATOM 190 NZ LYS A 13 3.304 -1.867 -8.619 1.00 24.11 N ATOM 0 H LYS A 13 2.351 -1.944 -3.849 1.00 74.40 H new ATOM 0 HA LYS A 13 4.967 -0.622 -3.462 1.00 41.23 H new ATOM 0 HB2 LYS A 13 3.164 -0.583 -5.913 1.00 12.45 H new ATOM 0 HB3 LYS A 13 4.751 0.148 -5.781 1.00 12.45 H new ATOM 0 HG2 LYS A 13 5.525 -2.328 -5.218 1.00 51.55 H new ATOM 0 HG3 LYS A 13 4.021 -2.770 -6.002 1.00 51.55 H new ATOM 0 HD2 LYS A 13 6.375 -1.265 -7.197 1.00 42.12 H new ATOM 0 HD3 LYS A 13 5.714 -2.806 -7.705 1.00 42.12 H new ATOM 0 HE2 LYS A 13 4.284 -0.127 -7.925 1.00 3.21 H new ATOM 0 HE3 LYS A 13 5.102 -0.945 -9.241 1.00 3.21 H new ATOM 0 HZ1 LYS A 13 2.604 -1.229 -9.048 1.00 24.11 H new ATOM 0 HZ2 LYS A 13 3.520 -2.639 -9.282 1.00 24.11 H new ATOM 0 HZ3 LYS A 13 2.917 -2.264 -7.739 1.00 24.11 H new ATOM 204 N VAL A 14 4.050 1.711 -3.161 1.00 72.14 N ATOM 205 CA VAL A 14 3.502 3.011 -2.754 1.00 63.21 C ATOM 206 C VAL A 14 4.004 4.151 -3.656 1.00 23.04 C ATOM 207 O VAL A 14 5.208 4.402 -3.753 1.00 62.23 O ATOM 208 CB VAL A 14 3.871 3.331 -1.284 1.00 74.22 C ATOM 209 CG1 VAL A 14 3.301 4.685 -0.853 1.00 61.21 C ATOM 210 CG2 VAL A 14 3.393 2.217 -0.357 1.00 54.33 C ATOM 0 H VAL A 14 5.067 1.654 -3.117 1.00 72.14 H new ATOM 0 HA VAL A 14 2.419 2.939 -2.853 1.00 63.21 H new ATOM 0 HB VAL A 14 4.957 3.392 -1.213 1.00 74.22 H new ATOM 0 HG11 VAL A 14 3.576 4.882 0.183 1.00 61.21 H new ATOM 0 HG12 VAL A 14 3.706 5.470 -1.492 1.00 61.21 H new ATOM 0 HG13 VAL A 14 2.215 4.668 -0.943 1.00 61.21 H new ATOM 0 HG21 VAL A 14 3.661 2.459 0.671 1.00 54.33 H new ATOM 0 HG22 VAL A 14 2.310 2.117 -0.436 1.00 54.33 H new ATOM 0 HG23 VAL A 14 3.866 1.277 -0.643 1.00 54.33 H new ATOM 220 N LEU A 15 3.069 4.839 -4.310 1.00 54.14 N ATOM 221 CA LEU A 15 3.394 5.998 -5.151 1.00 32.04 C ATOM 222 C LEU A 15 3.347 7.281 -4.295 1.00 51.10 C ATOM 223 O LEU A 15 2.270 7.767 -3.943 1.00 61.45 O ATOM 224 CB LEU A 15 2.403 6.074 -6.334 1.00 52.25 C ATOM 225 CG LEU A 15 2.903 6.798 -7.603 1.00 0.43 C ATOM 226 CD1 LEU A 15 1.882 6.669 -8.731 1.00 41.11 C ATOM 227 CD2 LEU A 15 3.204 8.269 -7.327 1.00 14.42 C ATOM 0 H LEU A 15 2.075 4.615 -4.275 1.00 54.14 H new ATOM 0 HA LEU A 15 4.400 5.895 -5.558 1.00 32.04 H new ATOM 0 HB2 LEU A 15 2.121 5.058 -6.609 1.00 52.25 H new ATOM 0 HB3 LEU A 15 1.498 6.574 -5.990 1.00 52.25 H new ATOM 0 HG LEU A 15 3.832 6.319 -7.911 1.00 0.43 H new ATOM 0 HD11 LEU A 15 2.252 7.185 -9.617 1.00 41.11 H new ATOM 0 HD12 LEU A 15 1.727 5.615 -8.963 1.00 41.11 H new ATOM 0 HD13 LEU A 15 0.937 7.114 -8.419 1.00 41.11 H new ATOM 0 HD21 LEU A 15 3.553 8.747 -8.242 1.00 14.42 H new ATOM 0 HD22 LEU A 15 2.298 8.767 -6.981 1.00 14.42 H new ATOM 0 HD23 LEU A 15 3.975 8.345 -6.561 1.00 14.42 H new ATOM 239 N TRP A 16 4.521 7.817 -3.964 1.00 14.53 N ATOM 240 CA TRP A 16 4.639 8.923 -3.000 1.00 52.23 C ATOM 241 C TRP A 16 4.685 10.301 -3.695 1.00 41.00 C ATOM 242 O TRP A 16 5.625 10.605 -4.432 1.00 41.33 O ATOM 243 CB TRP A 16 5.909 8.721 -2.157 1.00 20.12 C ATOM 244 CG TRP A 16 6.012 9.631 -0.966 1.00 72.31 C ATOM 245 CD1 TRP A 16 6.442 10.929 -0.950 1.00 72.44 C ATOM 246 CD2 TRP A 16 5.692 9.297 0.388 1.00 54.21 C ATOM 247 NE1 TRP A 16 6.403 11.419 0.332 1.00 22.52 N ATOM 248 CE2 TRP A 16 5.947 10.436 1.172 1.00 31.32 C ATOM 249 CE3 TRP A 16 5.214 8.140 1.013 1.00 20.40 C ATOM 250 CZ2 TRP A 16 5.737 10.454 2.547 1.00 73.53 C ATOM 251 CZ3 TRP A 16 5.006 8.159 2.378 1.00 21.02 C ATOM 252 CH2 TRP A 16 5.269 9.308 3.132 1.00 42.12 C ATOM 0 H TRP A 16 5.412 7.504 -4.349 1.00 14.53 H new ATOM 0 HA TRP A 16 3.754 8.912 -2.364 1.00 52.23 H new ATOM 0 HB2 TRP A 16 5.942 7.687 -1.813 1.00 20.12 H new ATOM 0 HB3 TRP A 16 6.781 8.874 -2.793 1.00 20.12 H new ATOM 0 HD1 TRP A 16 6.764 11.486 -1.817 1.00 72.44 H new ATOM 0 HE1 TRP A 16 6.670 12.362 0.614 1.00 22.52 H new ATOM 0 HE3 TRP A 16 5.011 7.248 0.438 1.00 20.40 H new ATOM 0 HZ2 TRP A 16 5.936 11.340 3.132 1.00 73.53 H new ATOM 0 HZ3 TRP A 16 4.634 7.273 2.871 1.00 21.02 H new ATOM 0 HH2 TRP A 16 5.099 9.290 4.198 1.00 42.12 H new ATOM 263 N LEU A 17 3.673 11.135 -3.443 1.00 23.25 N ATOM 264 CA LEU A 17 3.627 12.502 -3.986 1.00 45.22 C ATOM 265 C LEU A 17 3.557 13.543 -2.852 1.00 55.51 C ATOM 266 O LEU A 17 3.469 13.189 -1.676 1.00 61.23 O ATOM 267 CB LEU A 17 2.419 12.657 -4.922 1.00 10.14 C ATOM 268 CG LEU A 17 2.405 11.714 -6.135 1.00 12.13 C ATOM 269 CD1 LEU A 17 1.087 11.828 -6.891 1.00 64.15 C ATOM 270 CD2 LEU A 17 3.588 12.005 -7.060 1.00 41.44 C ATOM 0 H LEU A 17 2.870 10.889 -2.864 1.00 23.25 H new ATOM 0 HA LEU A 17 4.542 12.676 -4.552 1.00 45.22 H new ATOM 0 HB2 LEU A 17 1.509 12.493 -4.345 1.00 10.14 H new ATOM 0 HB3 LEU A 17 2.388 13.686 -5.281 1.00 10.14 H new ATOM 0 HG LEU A 17 2.501 10.691 -5.772 1.00 12.13 H new ATOM 0 HD11 LEU A 17 1.098 11.152 -7.746 1.00 64.15 H new ATOM 0 HD12 LEU A 17 0.263 11.562 -6.229 1.00 64.15 H new ATOM 0 HD13 LEU A 17 0.955 12.852 -7.240 1.00 64.15 H new ATOM 0 HD21 LEU A 17 3.559 11.326 -7.912 1.00 41.44 H new ATOM 0 HD22 LEU A 17 3.529 13.034 -7.414 1.00 41.44 H new ATOM 0 HD23 LEU A 17 4.521 11.862 -6.514 1.00 41.44 H new ATOM 282 N ASP A 18 3.605 14.828 -3.206 1.00 54.34 N ATOM 283 CA ASP A 18 3.537 15.902 -2.206 1.00 42.13 C ATOM 284 C ASP A 18 2.095 16.131 -1.718 1.00 24.30 C ATOM 285 O ASP A 18 1.842 16.228 -0.514 1.00 32.51 O ATOM 286 CB ASP A 18 4.110 17.200 -2.789 1.00 72.31 C ATOM 287 CG ASP A 18 4.233 18.296 -1.743 1.00 42.14 C ATOM 288 OD1 ASP A 18 5.281 18.356 -1.062 1.00 2.05 O ATOM 289 OD2 ASP A 18 3.285 19.096 -1.590 1.00 21.52 O ATOM 0 H ASP A 18 3.690 15.152 -4.169 1.00 54.34 H new ATOM 0 HA ASP A 18 4.134 15.597 -1.347 1.00 42.13 H new ATOM 0 HB2 ASP A 18 5.091 17.000 -3.220 1.00 72.31 H new ATOM 0 HB3 ASP A 18 3.469 17.545 -3.601 1.00 72.31 H new ATOM 294 N GLN A 19 1.153 16.230 -2.654 1.00 2.14 N ATOM 295 CA GLN A 19 -0.256 16.472 -2.311 1.00 61.24 C ATOM 296 C GLN A 19 -1.035 15.158 -2.135 1.00 1.22 C ATOM 297 O GLN A 19 -2.030 15.106 -1.410 1.00 22.04 O ATOM 298 CB GLN A 19 -0.948 17.324 -3.391 1.00 54.42 C ATOM 299 CG GLN A 19 -0.288 18.678 -3.658 1.00 21.00 C ATOM 300 CD GLN A 19 1.031 18.565 -4.410 1.00 15.23 C ATOM 301 OE1 GLN A 19 1.237 17.648 -5.200 1.00 33.05 O ATOM 302 NE2 GLN A 19 1.936 19.488 -4.170 1.00 65.21 N ATOM 0 H GLN A 19 1.334 16.147 -3.654 1.00 2.14 H new ATOM 0 HA GLN A 19 -0.259 17.010 -1.363 1.00 61.24 H new ATOM 0 HB2 GLN A 19 -0.972 16.757 -4.322 1.00 54.42 H new ATOM 0 HB3 GLN A 19 -1.983 17.492 -3.094 1.00 54.42 H new ATOM 0 HG2 GLN A 19 -0.973 19.302 -4.232 1.00 21.00 H new ATOM 0 HG3 GLN A 19 -0.115 19.184 -2.708 1.00 21.00 H new ATOM 0 HE21 GLN A 19 1.736 20.238 -3.508 1.00 65.21 H new ATOM 0 HE22 GLN A 19 2.838 19.454 -4.646 1.00 65.21 H new ATOM 311 N ASN A 20 -0.585 14.103 -2.812 1.00 12.43 N ATOM 312 CA ASN A 20 -1.305 12.822 -2.826 1.00 15.12 C ATOM 313 C ASN A 20 -0.376 11.632 -2.535 1.00 43.31 C ATOM 314 O ASN A 20 0.846 11.770 -2.489 1.00 3.43 O ATOM 315 CB ASN A 20 -1.969 12.611 -4.197 1.00 31.34 C ATOM 316 CG ASN A 20 -2.863 13.767 -4.605 1.00 25.43 C ATOM 317 OD1 ASN A 20 -4.049 13.786 -4.305 1.00 71.12 O ATOM 318 ND2 ASN A 20 -2.303 14.740 -5.291 1.00 64.15 N ATOM 0 H ASN A 20 0.275 14.106 -3.360 1.00 12.43 H new ATOM 0 HA ASN A 20 -2.058 12.867 -2.039 1.00 15.12 H new ATOM 0 HB2 ASN A 20 -1.195 12.473 -4.952 1.00 31.34 H new ATOM 0 HB3 ASN A 20 -2.558 11.694 -4.172 1.00 31.34 H new ATOM 0 HD21 ASN A 20 -2.861 15.541 -5.589 1.00 64.15 H new ATOM 0 HD22 ASN A 20 -1.311 14.694 -5.525 1.00 64.15 H new ATOM 325 N VAL A 21 -0.972 10.464 -2.334 1.00 31.10 N ATOM 326 CA VAL A 21 -0.221 9.213 -2.222 1.00 2.44 C ATOM 327 C VAL A 21 -1.091 8.027 -2.668 1.00 73.15 C ATOM 328 O VAL A 21 -2.289 7.977 -2.375 1.00 64.42 O ATOM 329 CB VAL A 21 0.302 8.980 -0.780 1.00 43.24 C ATOM 330 CG1 VAL A 21 -0.850 8.858 0.211 1.00 21.14 C ATOM 331 CG2 VAL A 21 1.209 7.751 -0.722 1.00 14.32 C ATOM 0 H VAL A 21 -1.982 10.353 -2.244 1.00 31.10 H new ATOM 0 HA VAL A 21 0.645 9.291 -2.879 1.00 2.44 H new ATOM 0 HB VAL A 21 0.894 9.850 -0.494 1.00 43.24 H new ATOM 0 HG11 VAL A 21 -0.452 8.695 1.213 1.00 21.14 H new ATOM 0 HG12 VAL A 21 -1.439 9.775 0.199 1.00 21.14 H new ATOM 0 HG13 VAL A 21 -1.483 8.016 -0.069 1.00 21.14 H new ATOM 0 HG21 VAL A 21 1.563 7.608 0.299 1.00 14.32 H new ATOM 0 HG22 VAL A 21 0.650 6.871 -1.039 1.00 14.32 H new ATOM 0 HG23 VAL A 21 2.062 7.897 -1.385 1.00 14.32 H new ATOM 341 N ALA A 22 -0.493 7.085 -3.391 1.00 42.23 N ATOM 342 CA ALA A 22 -1.236 5.952 -3.954 1.00 42.31 C ATOM 343 C ALA A 22 -0.688 4.603 -3.473 1.00 51.13 C ATOM 344 O ALA A 22 0.516 4.448 -3.268 1.00 73.22 O ATOM 345 CB ALA A 22 -1.208 6.014 -5.475 1.00 13.14 C ATOM 0 H ALA A 22 0.505 7.080 -3.603 1.00 42.23 H new ATOM 0 HA ALA A 22 -2.265 6.030 -3.602 1.00 42.31 H new ATOM 0 HB1 ALA A 22 -1.762 5.169 -5.884 1.00 13.14 H new ATOM 0 HB2 ALA A 22 -1.666 6.945 -5.810 1.00 13.14 H new ATOM 0 HB3 ALA A 22 -0.175 5.973 -5.822 1.00 13.14 H new ATOM 351 N ILE A 23 -1.582 3.632 -3.307 1.00 0.42 N ATOM 352 CA ILE A 23 -1.201 2.273 -2.898 1.00 11.45 C ATOM 353 C ILE A 23 -1.735 1.222 -3.886 1.00 52.34 C ATOM 354 O ILE A 23 -2.851 1.348 -4.397 1.00 55.02 O ATOM 355 CB ILE A 23 -1.716 1.954 -1.467 1.00 32.31 C ATOM 356 CG1 ILE A 23 -3.228 2.228 -1.363 1.00 55.15 C ATOM 357 CG2 ILE A 23 -0.942 2.765 -0.425 1.00 52.21 C ATOM 358 CD1 ILE A 23 -3.810 1.976 0.014 1.00 0.21 C ATOM 0 H ILE A 23 -2.584 3.758 -3.449 1.00 0.42 H new ATOM 0 HA ILE A 23 -0.112 2.231 -2.898 1.00 11.45 H new ATOM 0 HB ILE A 23 -1.548 0.896 -1.267 1.00 32.31 H new ATOM 0 HG12 ILE A 23 -3.418 3.264 -1.642 1.00 55.15 H new ATOM 0 HG13 ILE A 23 -3.750 1.602 -2.086 1.00 55.15 H new ATOM 0 HG21 ILE A 23 -1.316 2.529 0.571 1.00 52.21 H new ATOM 0 HG22 ILE A 23 0.117 2.515 -0.483 1.00 52.21 H new ATOM 0 HG23 ILE A 23 -1.075 3.829 -0.620 1.00 52.21 H new ATOM 0 HD11 ILE A 23 -4.878 2.192 0.003 1.00 0.21 H new ATOM 0 HD12 ILE A 23 -3.654 0.933 0.290 1.00 0.21 H new ATOM 0 HD13 ILE A 23 -3.317 2.621 0.741 1.00 0.21 H new ATOM 370 N ALA A 24 -0.921 0.200 -4.165 1.00 51.31 N ATOM 371 CA ALA A 24 -1.313 -0.889 -5.073 1.00 33.32 C ATOM 372 C ALA A 24 -0.562 -2.191 -4.755 1.00 32.51 C ATOM 373 O ALA A 24 0.556 -2.163 -4.236 1.00 55.30 O ATOM 374 CB ALA A 24 -1.066 -0.480 -6.522 1.00 53.43 C ATOM 0 H ALA A 24 0.016 0.101 -3.775 1.00 51.31 H new ATOM 0 HA ALA A 24 -2.377 -1.076 -4.927 1.00 33.32 H new ATOM 0 HB1 ALA A 24 -1.360 -1.294 -7.185 1.00 53.43 H new ATOM 0 HB2 ALA A 24 -1.654 0.408 -6.755 1.00 53.43 H new ATOM 0 HB3 ALA A 24 -0.007 -0.261 -6.663 1.00 53.43 H new ATOM 380 N VAL A 25 -1.180 -3.329 -5.075 1.00 53.32 N ATOM 381 CA VAL A 25 -0.586 -4.646 -4.806 1.00 55.34 C ATOM 382 C VAL A 25 -0.189 -5.364 -6.108 1.00 52.32 C ATOM 383 O VAL A 25 -0.926 -5.332 -7.098 1.00 31.44 O ATOM 384 CB VAL A 25 -1.562 -5.552 -4.006 1.00 20.23 C ATOM 385 CG1 VAL A 25 -0.927 -6.913 -3.709 1.00 65.42 C ATOM 386 CG2 VAL A 25 -1.995 -4.865 -2.711 1.00 44.33 C ATOM 0 H VAL A 25 -2.096 -3.368 -5.523 1.00 53.32 H new ATOM 0 HA VAL A 25 0.310 -4.468 -4.211 1.00 55.34 H new ATOM 0 HB VAL A 25 -2.447 -5.719 -4.619 1.00 20.23 H new ATOM 0 HG11 VAL A 25 -1.631 -7.528 -3.148 1.00 65.42 H new ATOM 0 HG12 VAL A 25 -0.677 -7.410 -4.646 1.00 65.42 H new ATOM 0 HG13 VAL A 25 -0.020 -6.771 -3.121 1.00 65.42 H new ATOM 0 HG21 VAL A 25 -2.678 -5.515 -2.165 1.00 44.33 H new ATOM 0 HG22 VAL A 25 -1.118 -4.662 -2.096 1.00 44.33 H new ATOM 0 HG23 VAL A 25 -2.498 -3.927 -2.947 1.00 44.33 H new ATOM 396 N ASP A 26 0.978 -6.009 -6.096 1.00 12.23 N ATOM 397 CA ASP A 26 1.471 -6.787 -7.241 1.00 25.13 C ATOM 398 C ASP A 26 1.615 -8.276 -6.871 1.00 32.21 C ATOM 399 O ASP A 26 2.034 -8.616 -5.763 1.00 31.25 O ATOM 400 CB ASP A 26 2.822 -6.231 -7.710 1.00 30.03 C ATOM 401 CG ASP A 26 2.732 -4.776 -8.144 1.00 42.45 C ATOM 402 OD1 ASP A 26 2.511 -3.905 -7.278 1.00 1.32 O ATOM 403 OD2 ASP A 26 2.881 -4.491 -9.352 1.00 71.30 O ATOM 0 H ASP A 26 1.610 -6.009 -5.295 1.00 12.23 H new ATOM 0 HA ASP A 26 0.746 -6.703 -8.051 1.00 25.13 H new ATOM 0 HB2 ASP A 26 3.549 -6.322 -6.903 1.00 30.03 H new ATOM 0 HB3 ASP A 26 3.191 -6.833 -8.541 1.00 30.03 H new ATOM 408 N GLN A 27 1.274 -9.157 -7.806 1.00 35.51 N ATOM 409 CA GLN A 27 1.329 -10.606 -7.572 1.00 30.23 C ATOM 410 C GLN A 27 2.625 -11.230 -8.134 1.00 31.24 C ATOM 411 O GLN A 27 3.002 -10.991 -9.283 1.00 62.33 O ATOM 412 CB GLN A 27 0.095 -11.279 -8.204 1.00 12.13 C ATOM 413 CG GLN A 27 -0.004 -11.090 -9.715 1.00 3.22 C ATOM 414 CD GLN A 27 -1.293 -11.641 -10.303 1.00 12.05 C ATOM 415 OE1 GLN A 27 -1.292 -12.908 -10.667 1.00 40.43 O flip ATOM 416 NE2 GLN A 27 -2.289 -10.936 -10.425 1.00 51.43 N flip ATOM 0 H GLN A 27 0.954 -8.897 -8.739 1.00 35.51 H new ATOM 0 HA GLN A 27 1.328 -10.774 -6.495 1.00 30.23 H new ATOM 0 HB2 GLN A 27 0.121 -12.346 -7.982 1.00 12.13 H new ATOM 0 HB3 GLN A 27 -0.805 -10.878 -7.737 1.00 12.13 H new ATOM 0 HG2 GLN A 27 0.069 -10.028 -9.948 1.00 3.22 H new ATOM 0 HG3 GLN A 27 0.844 -11.580 -10.193 1.00 3.22 H new ATOM 0 HE21 GLN A 27 -2.261 -9.959 -10.135 1.00 51.43 H new ATOM 0 HE22 GLN A 27 -3.146 -11.327 -10.817 1.00 51.43 H new ATOM 425 N ILE A 28 3.310 -12.024 -7.310 1.00 64.12 N ATOM 426 CA ILE A 28 4.514 -12.740 -7.748 1.00 34.15 C ATOM 427 C ILE A 28 4.151 -14.103 -8.364 1.00 64.04 C ATOM 428 O ILE A 28 3.993 -15.101 -7.657 1.00 54.34 O ATOM 429 CB ILE A 28 5.511 -12.959 -6.580 1.00 22.13 C ATOM 430 CG1 ILE A 28 5.878 -11.618 -5.922 1.00 53.21 C ATOM 431 CG2 ILE A 28 6.771 -13.676 -7.075 1.00 72.45 C ATOM 432 CD1 ILE A 28 6.882 -11.746 -4.793 1.00 54.11 C ATOM 0 H ILE A 28 3.054 -12.189 -6.337 1.00 64.12 H new ATOM 0 HA ILE A 28 4.993 -12.116 -8.502 1.00 34.15 H new ATOM 0 HB ILE A 28 5.028 -13.588 -5.832 1.00 22.13 H new ATOM 0 HG12 ILE A 28 6.283 -10.950 -6.682 1.00 53.21 H new ATOM 0 HG13 ILE A 28 4.971 -11.152 -5.538 1.00 53.21 H new ATOM 0 HG21 ILE A 28 7.458 -13.821 -6.242 1.00 72.45 H new ATOM 0 HG22 ILE A 28 6.498 -14.645 -7.493 1.00 72.45 H new ATOM 0 HG23 ILE A 28 7.255 -13.073 -7.844 1.00 72.45 H new ATOM 0 HD11 ILE A 28 7.091 -10.760 -4.379 1.00 54.11 H new ATOM 0 HD12 ILE A 28 6.473 -12.388 -4.013 1.00 54.11 H new ATOM 0 HD13 ILE A 28 7.805 -12.183 -5.175 1.00 54.11 H new ATOM 444 N VAL A 29 4.007 -14.128 -9.680 1.00 53.44 N ATOM 445 CA VAL A 29 3.650 -15.351 -10.407 1.00 13.43 C ATOM 446 C VAL A 29 4.910 -16.174 -10.732 1.00 54.10 C ATOM 447 O VAL A 29 6.021 -15.643 -10.723 1.00 63.15 O ATOM 448 CB VAL A 29 2.915 -15.001 -11.733 1.00 13.04 C ATOM 449 CG1 VAL A 29 2.246 -16.230 -12.346 1.00 61.22 C ATOM 450 CG2 VAL A 29 1.902 -13.880 -11.509 1.00 2.42 C ATOM 0 H VAL A 29 4.132 -13.310 -10.277 1.00 53.44 H new ATOM 0 HA VAL A 29 2.989 -15.939 -9.770 1.00 13.43 H new ATOM 0 HB VAL A 29 3.663 -14.650 -12.444 1.00 13.04 H new ATOM 0 HG11 VAL A 29 1.743 -15.947 -13.271 1.00 61.22 H new ATOM 0 HG12 VAL A 29 3.001 -16.986 -12.561 1.00 61.22 H new ATOM 0 HG13 VAL A 29 1.516 -16.635 -11.645 1.00 61.22 H new ATOM 0 HG21 VAL A 29 1.399 -13.651 -12.449 1.00 2.42 H new ATOM 0 HG22 VAL A 29 1.165 -14.198 -10.771 1.00 2.42 H new ATOM 0 HG23 VAL A 29 2.418 -12.991 -11.147 1.00 2.42 H new ATOM 460 N GLY A 30 4.742 -17.464 -11.026 1.00 22.41 N ATOM 461 CA GLY A 30 5.875 -18.279 -11.467 1.00 61.45 C ATOM 462 C GLY A 30 6.483 -17.772 -12.775 1.00 33.11 C ATOM 463 O GLY A 30 7.630 -18.083 -13.108 1.00 72.22 O ATOM 0 H GLY A 30 3.852 -17.959 -10.969 1.00 22.41 H new ATOM 0 HA2 GLY A 30 6.640 -18.283 -10.691 1.00 61.45 H new ATOM 0 HA3 GLY A 30 5.548 -19.311 -11.597 1.00 61.45 H new ATOM 467 N LYS A 31 5.697 -16.990 -13.511 1.00 51.30 N ATOM 468 CA LYS A 31 6.142 -16.350 -14.755 1.00 12.21 C ATOM 469 C LYS A 31 6.871 -15.020 -14.477 1.00 50.41 C ATOM 470 O LYS A 31 7.635 -14.528 -15.311 1.00 10.21 O ATOM 471 CB LYS A 31 4.924 -16.081 -15.648 1.00 34.20 C ATOM 472 CG LYS A 31 4.123 -17.334 -16.006 1.00 75.35 C ATOM 473 CD LYS A 31 2.794 -16.989 -16.678 1.00 75.35 C ATOM 474 CE LYS A 31 2.988 -16.159 -17.941 1.00 42.52 C ATOM 475 NZ LYS A 31 1.691 -15.736 -18.531 1.00 14.10 N ATOM 0 H LYS A 31 4.730 -16.779 -13.264 1.00 51.30 H new ATOM 0 HA LYS A 31 6.840 -17.023 -15.253 1.00 12.21 H new ATOM 0 HB2 LYS A 31 4.266 -15.374 -15.143 1.00 34.20 H new ATOM 0 HB3 LYS A 31 5.260 -15.602 -16.568 1.00 34.20 H new ATOM 0 HG2 LYS A 31 4.713 -17.964 -16.671 1.00 75.35 H new ATOM 0 HG3 LYS A 31 3.933 -17.914 -15.103 1.00 75.35 H new ATOM 0 HD2 LYS A 31 2.265 -17.909 -16.927 1.00 75.35 H new ATOM 0 HD3 LYS A 31 2.166 -16.440 -15.977 1.00 75.35 H new ATOM 0 HE2 LYS A 31 3.585 -15.278 -17.708 1.00 42.52 H new ATOM 0 HE3 LYS A 31 3.548 -16.739 -18.674 1.00 42.52 H new ATOM 0 HZ1 LYS A 31 1.866 -15.174 -19.388 1.00 14.10 H new ATOM 0 HZ2 LYS A 31 1.131 -16.577 -18.777 1.00 14.10 H new ATOM 0 HZ3 LYS A 31 1.167 -15.161 -17.841 1.00 14.10 H new ATOM 489 N GLY A 32 6.614 -14.443 -13.305 1.00 21.55 N ATOM 490 CA GLY A 32 7.161 -13.141 -12.952 1.00 42.11 C ATOM 491 C GLY A 32 6.169 -12.318 -12.139 1.00 51.54 C ATOM 492 O GLY A 32 5.097 -12.803 -11.780 1.00 12.13 O ATOM 0 H GLY A 32 6.027 -14.861 -12.583 1.00 21.55 H new ATOM 0 HA2 GLY A 32 8.079 -13.274 -12.380 1.00 42.11 H new ATOM 0 HA3 GLY A 32 7.427 -12.599 -13.860 1.00 42.11 H new ATOM 496 N THR A 33 6.515 -11.075 -11.849 1.00 60.24 N ATOM 497 CA THR A 33 5.632 -10.181 -11.085 1.00 53.45 C ATOM 498 C THR A 33 4.654 -9.443 -12.010 1.00 63.03 C ATOM 499 O THR A 33 5.012 -9.042 -13.122 1.00 43.33 O ATOM 500 CB THR A 33 6.436 -9.139 -10.264 1.00 41.12 C ATOM 501 OG1 THR A 33 7.263 -8.354 -11.137 1.00 55.14 O ATOM 502 CG2 THR A 33 7.307 -9.817 -9.210 1.00 1.00 C ATOM 0 H THR A 33 7.401 -10.653 -12.127 1.00 60.24 H new ATOM 0 HA THR A 33 5.072 -10.814 -10.396 1.00 53.45 H new ATOM 0 HB THR A 33 5.721 -8.491 -9.756 1.00 41.12 H new ATOM 0 HG1 THR A 33 7.765 -7.698 -10.610 1.00 55.14 H new ATOM 0 HG21 THR A 33 7.858 -9.060 -8.651 1.00 1.00 H new ATOM 0 HG22 THR A 33 6.676 -10.385 -8.526 1.00 1.00 H new ATOM 0 HG23 THR A 33 8.011 -10.491 -9.698 1.00 1.00 H new ATOM 510 N SER A 34 3.417 -9.269 -11.551 1.00 11.34 N ATOM 511 CA SER A 34 2.374 -8.614 -12.355 1.00 15.13 C ATOM 512 C SER A 34 1.449 -7.754 -11.475 1.00 41.41 C ATOM 513 O SER A 34 1.051 -8.180 -10.391 1.00 10.13 O ATOM 514 CB SER A 34 1.544 -9.670 -13.101 1.00 72.32 C ATOM 515 OG SER A 34 0.657 -9.070 -14.032 1.00 71.31 O ATOM 0 H SER A 34 3.107 -9.571 -10.627 1.00 11.34 H new ATOM 0 HA SER A 34 2.866 -7.960 -13.075 1.00 15.13 H new ATOM 0 HB2 SER A 34 2.211 -10.357 -13.622 1.00 72.32 H new ATOM 0 HB3 SER A 34 0.975 -10.261 -12.383 1.00 72.32 H new ATOM 0 HG SER A 34 0.144 -9.767 -14.492 1.00 71.31 H new ATOM 521 N PRO A 35 1.091 -6.531 -11.925 1.00 0.43 N ATOM 522 CA PRO A 35 0.211 -5.626 -11.154 1.00 51.33 C ATOM 523 C PRO A 35 -1.184 -6.228 -10.898 1.00 31.20 C ATOM 524 O PRO A 35 -1.923 -6.533 -11.838 1.00 63.14 O ATOM 525 CB PRO A 35 0.106 -4.373 -12.047 1.00 4.13 C ATOM 526 CG PRO A 35 1.277 -4.458 -12.970 1.00 1.22 C ATOM 527 CD PRO A 35 1.513 -5.926 -13.200 1.00 0.31 C ATOM 0 HA PRO A 35 0.613 -5.424 -10.161 1.00 51.33 H new ATOM 0 HB2 PRO A 35 -0.833 -4.360 -12.601 1.00 4.13 H new ATOM 0 HB3 PRO A 35 0.138 -3.460 -11.452 1.00 4.13 H new ATOM 0 HG2 PRO A 35 1.073 -3.943 -13.909 1.00 1.22 H new ATOM 0 HG3 PRO A 35 2.156 -3.985 -12.531 1.00 1.22 H new ATOM 0 HD2 PRO A 35 0.928 -6.303 -14.039 1.00 0.31 H new ATOM 0 HD3 PRO A 35 2.559 -6.137 -13.421 1.00 0.31 H new ATOM 535 N LEU A 36 -1.538 -6.392 -9.623 1.00 44.44 N ATOM 536 CA LEU A 36 -2.823 -6.993 -9.242 1.00 32.41 C ATOM 537 C LEU A 36 -3.940 -5.938 -9.165 1.00 4.00 C ATOM 538 O LEU A 36 -4.998 -6.086 -9.780 1.00 0.40 O ATOM 539 CB LEU A 36 -2.687 -7.709 -7.890 1.00 52.11 C ATOM 540 CG LEU A 36 -3.954 -8.422 -7.391 1.00 55.34 C ATOM 541 CD1 LEU A 36 -4.328 -9.566 -8.330 1.00 51.23 C ATOM 542 CD2 LEU A 36 -3.765 -8.927 -5.960 1.00 41.43 C ATOM 0 H LEU A 36 -0.954 -6.118 -8.833 1.00 44.44 H new ATOM 0 HA LEU A 36 -3.095 -7.715 -10.012 1.00 32.41 H new ATOM 0 HB2 LEU A 36 -1.884 -8.442 -7.966 1.00 52.11 H new ATOM 0 HB3 LEU A 36 -2.382 -6.979 -7.140 1.00 52.11 H new ATOM 0 HG LEU A 36 -4.774 -7.704 -7.386 1.00 55.34 H new ATOM 0 HD11 LEU A 36 -5.227 -10.060 -7.962 1.00 51.23 H new ATOM 0 HD12 LEU A 36 -4.514 -9.171 -9.329 1.00 51.23 H new ATOM 0 HD13 LEU A 36 -3.510 -10.285 -8.371 1.00 51.23 H new ATOM 0 HD21 LEU A 36 -4.674 -9.428 -5.628 1.00 41.43 H new ATOM 0 HD22 LEU A 36 -2.932 -9.629 -5.929 1.00 41.43 H new ATOM 0 HD23 LEU A 36 -3.554 -8.084 -5.302 1.00 41.43 H new ATOM 554 N THR A 37 -3.703 -4.873 -8.400 1.00 71.10 N ATOM 555 CA THR A 37 -4.707 -3.810 -8.215 1.00 15.23 C ATOM 556 C THR A 37 -4.234 -2.477 -8.804 1.00 31.51 C ATOM 557 O THR A 37 -3.060 -2.313 -9.150 1.00 50.35 O ATOM 558 CB THR A 37 -5.044 -3.586 -6.717 1.00 34.31 C ATOM 559 OG1 THR A 37 -3.891 -3.092 -6.019 1.00 75.22 O ATOM 560 CG2 THR A 37 -5.521 -4.878 -6.056 1.00 52.25 C ATOM 0 H THR A 37 -2.829 -4.718 -7.897 1.00 71.10 H new ATOM 0 HA THR A 37 -5.600 -4.149 -8.741 1.00 15.23 H new ATOM 0 HB THR A 37 -5.848 -2.852 -6.664 1.00 34.31 H new ATOM 0 HG1 THR A 37 -4.166 -2.401 -5.380 1.00 75.22 H new ATOM 0 HG21 THR A 37 -5.749 -4.688 -5.007 1.00 52.25 H new ATOM 0 HG22 THR A 37 -6.417 -5.237 -6.563 1.00 52.25 H new ATOM 0 HG23 THR A 37 -4.738 -5.633 -6.126 1.00 52.25 H new ATOM 568 N SER A 38 -5.156 -1.523 -8.928 1.00 3.34 N ATOM 569 CA SER A 38 -4.815 -0.179 -9.422 1.00 14.52 C ATOM 570 C SER A 38 -4.255 0.700 -8.298 1.00 71.03 C ATOM 571 O SER A 38 -4.294 0.331 -7.125 1.00 42.51 O ATOM 572 CB SER A 38 -6.040 0.502 -10.050 1.00 75.22 C ATOM 573 OG SER A 38 -5.686 1.746 -10.645 1.00 34.31 O ATOM 0 H SER A 38 -6.141 -1.649 -8.696 1.00 3.34 H new ATOM 0 HA SER A 38 -4.047 -0.299 -10.186 1.00 14.52 H new ATOM 0 HB2 SER A 38 -6.478 -0.153 -10.803 1.00 75.22 H new ATOM 0 HB3 SER A 38 -6.801 0.664 -9.287 1.00 75.22 H new ATOM 0 HG SER A 38 -6.483 2.159 -11.039 1.00 34.31 H new ATOM 579 N TYR A 39 -3.738 1.870 -8.667 1.00 30.53 N ATOM 580 CA TYR A 39 -3.152 2.804 -7.697 1.00 1.04 C ATOM 581 C TYR A 39 -4.214 3.759 -7.135 1.00 2.24 C ATOM 582 O TYR A 39 -4.641 4.700 -7.805 1.00 21.23 O ATOM 583 CB TYR A 39 -2.009 3.598 -8.349 1.00 53.40 C ATOM 584 CG TYR A 39 -0.828 2.736 -8.763 1.00 63.43 C ATOM 585 CD1 TYR A 39 -0.853 2.012 -9.952 1.00 54.44 C ATOM 586 CD2 TYR A 39 0.307 2.640 -7.961 1.00 31.12 C ATOM 587 CE1 TYR A 39 0.216 1.219 -10.328 1.00 53.21 C ATOM 588 CE2 TYR A 39 1.379 1.852 -8.333 1.00 1.04 C ATOM 589 CZ TYR A 39 1.328 1.143 -9.515 1.00 52.32 C ATOM 590 OH TYR A 39 2.393 0.351 -9.888 1.00 62.22 O ATOM 0 H TYR A 39 -3.711 2.198 -9.632 1.00 30.53 H new ATOM 0 HA TYR A 39 -2.751 2.223 -6.867 1.00 1.04 H new ATOM 0 HB2 TYR A 39 -2.394 4.118 -9.226 1.00 53.40 H new ATOM 0 HB3 TYR A 39 -1.664 4.361 -7.652 1.00 53.40 H new ATOM 0 HD1 TYR A 39 -1.721 2.071 -10.591 1.00 54.44 H new ATOM 0 HD2 TYR A 39 0.350 3.191 -7.033 1.00 31.12 H new ATOM 0 HE1 TYR A 39 0.180 0.662 -11.253 1.00 53.21 H new ATOM 0 HE2 TYR A 39 2.253 1.791 -7.701 1.00 1.04 H new ATOM 0 HH TYR A 39 3.223 0.868 -9.826 1.00 62.22 H new ATOM 600 N PHE A 40 -4.641 3.506 -5.901 1.00 45.14 N ATOM 601 CA PHE A 40 -5.687 4.312 -5.262 1.00 54.24 C ATOM 602 C PHE A 40 -5.095 5.519 -4.509 1.00 14.03 C ATOM 603 O PHE A 40 -4.337 5.355 -3.554 1.00 11.30 O ATOM 604 CB PHE A 40 -6.501 3.432 -4.304 1.00 51.25 C ATOM 605 CG PHE A 40 -7.102 2.216 -4.970 1.00 33.33 C ATOM 606 CD1 PHE A 40 -8.210 2.338 -5.799 1.00 12.33 C ATOM 607 CD2 PHE A 40 -6.559 0.954 -4.770 1.00 40.20 C ATOM 608 CE1 PHE A 40 -8.760 1.226 -6.412 1.00 72.52 C ATOM 609 CE2 PHE A 40 -7.107 -0.159 -5.382 1.00 53.33 C ATOM 610 CZ PHE A 40 -8.208 -0.023 -6.202 1.00 43.52 C ATOM 0 H PHE A 40 -4.281 2.749 -5.320 1.00 45.14 H new ATOM 0 HA PHE A 40 -6.340 4.703 -6.042 1.00 54.24 H new ATOM 0 HB2 PHE A 40 -5.858 3.108 -3.485 1.00 51.25 H new ATOM 0 HB3 PHE A 40 -7.300 4.029 -3.865 1.00 51.25 H new ATOM 0 HD1 PHE A 40 -8.647 3.311 -5.967 1.00 12.33 H new ATOM 0 HD2 PHE A 40 -5.698 0.840 -4.128 1.00 40.20 H new ATOM 0 HE1 PHE A 40 -9.621 1.334 -7.055 1.00 72.52 H new ATOM 0 HE2 PHE A 40 -6.673 -1.134 -5.218 1.00 53.33 H new ATOM 0 HZ PHE A 40 -8.638 -0.891 -6.679 1.00 43.52 H new ATOM 620 N PHE A 41 -5.447 6.729 -4.953 1.00 73.22 N ATOM 621 CA PHE A 41 -4.941 7.970 -4.344 1.00 61.20 C ATOM 622 C PHE A 41 -5.886 8.507 -3.252 1.00 55.11 C ATOM 623 O PHE A 41 -7.071 8.739 -3.500 1.00 2.14 O ATOM 624 CB PHE A 41 -4.760 9.051 -5.422 1.00 63.14 C ATOM 625 CG PHE A 41 -3.692 8.746 -6.444 1.00 54.22 C ATOM 626 CD1 PHE A 41 -3.932 7.855 -7.482 1.00 35.32 C ATOM 627 CD2 PHE A 41 -2.450 9.363 -6.374 1.00 1.41 C ATOM 628 CE1 PHE A 41 -2.957 7.587 -8.425 1.00 1.21 C ATOM 629 CE2 PHE A 41 -1.473 9.096 -7.313 1.00 63.31 C ATOM 630 CZ PHE A 41 -1.727 8.208 -8.341 1.00 52.32 C ATOM 0 H PHE A 41 -6.083 6.879 -5.736 1.00 73.22 H new ATOM 0 HA PHE A 41 -3.984 7.732 -3.881 1.00 61.20 H new ATOM 0 HB2 PHE A 41 -5.709 9.193 -5.939 1.00 63.14 H new ATOM 0 HB3 PHE A 41 -4.519 9.995 -4.934 1.00 63.14 H new ATOM 0 HD1 PHE A 41 -4.892 7.365 -7.553 1.00 35.32 H new ATOM 0 HD2 PHE A 41 -2.245 10.060 -5.575 1.00 1.41 H new ATOM 0 HE1 PHE A 41 -3.158 6.892 -9.227 1.00 1.21 H new ATOM 0 HE2 PHE A 41 -0.511 9.581 -7.244 1.00 63.31 H new ATOM 0 HZ PHE A 41 -0.965 8.000 -9.077 1.00 52.32 H new ATOM 640 N TRP A 42 -5.354 8.717 -2.048 1.00 15.41 N ATOM 641 CA TRP A 42 -6.109 9.373 -0.970 1.00 23.31 C ATOM 642 C TRP A 42 -5.398 10.686 -0.560 1.00 53.35 C ATOM 643 O TRP A 42 -4.204 10.848 -0.828 1.00 74.01 O ATOM 644 CB TRP A 42 -6.282 8.412 0.234 1.00 41.33 C ATOM 645 CG TRP A 42 -5.251 8.561 1.318 1.00 74.32 C ATOM 646 CD1 TRP A 42 -3.928 8.234 1.254 1.00 21.34 C ATOM 647 CD2 TRP A 42 -5.477 9.057 2.643 1.00 54.43 C ATOM 648 NE1 TRP A 42 -3.314 8.524 2.448 1.00 63.13 N ATOM 649 CE2 TRP A 42 -4.245 9.025 3.318 1.00 13.35 C ATOM 650 CE3 TRP A 42 -6.604 9.535 3.319 1.00 1.44 C ATOM 651 CZ2 TRP A 42 -4.104 9.453 4.636 1.00 33.23 C ATOM 652 CZ3 TRP A 42 -6.466 9.956 4.628 1.00 32.53 C ATOM 653 CH2 TRP A 42 -5.222 9.913 5.275 1.00 24.22 C ATOM 0 H TRP A 42 -4.405 8.445 -1.791 1.00 15.41 H new ATOM 0 HA TRP A 42 -7.107 9.626 -1.328 1.00 23.31 H new ATOM 0 HB2 TRP A 42 -7.269 8.571 0.668 1.00 41.33 H new ATOM 0 HB3 TRP A 42 -6.256 7.386 -0.133 1.00 41.33 H new ATOM 0 HD1 TRP A 42 -3.436 7.810 0.391 1.00 21.34 H new ATOM 0 HE1 TRP A 42 -2.324 8.388 2.653 1.00 63.13 H new ATOM 0 HE3 TRP A 42 -7.565 9.574 2.827 1.00 1.44 H new ATOM 0 HZ2 TRP A 42 -3.147 9.423 5.135 1.00 33.23 H new ATOM 0 HZ3 TRP A 42 -7.330 10.324 5.162 1.00 32.53 H new ATOM 0 HH2 TRP A 42 -5.146 10.250 6.298 1.00 24.22 H new ATOM 664 N PRO A 43 -6.105 11.658 0.072 1.00 71.14 N ATOM 665 CA PRO A 43 -7.523 11.543 0.453 1.00 55.02 C ATOM 666 C PRO A 43 -8.511 11.925 -0.667 1.00 23.25 C ATOM 667 O PRO A 43 -9.648 12.310 -0.393 1.00 33.40 O ATOM 668 CB PRO A 43 -7.620 12.536 1.617 1.00 11.34 C ATOM 669 CG PRO A 43 -6.665 13.624 1.254 1.00 23.22 C ATOM 670 CD PRO A 43 -5.540 12.967 0.483 1.00 23.14 C ATOM 0 HA PRO A 43 -7.796 10.515 0.692 1.00 55.02 H new ATOM 0 HB2 PRO A 43 -8.634 12.918 1.730 1.00 11.34 H new ATOM 0 HB3 PRO A 43 -7.349 12.068 2.563 1.00 11.34 H new ATOM 0 HG2 PRO A 43 -7.157 14.386 0.649 1.00 23.22 H new ATOM 0 HG3 PRO A 43 -6.285 14.121 2.147 1.00 23.22 H new ATOM 0 HD2 PRO A 43 -5.246 13.564 -0.380 1.00 23.14 H new ATOM 0 HD3 PRO A 43 -4.651 12.842 1.102 1.00 23.14 H new ATOM 678 N ARG A 44 -8.082 11.815 -1.926 1.00 12.24 N ATOM 679 CA ARG A 44 -8.968 12.087 -3.064 1.00 22.13 C ATOM 680 C ARG A 44 -10.131 11.081 -3.114 1.00 2.40 C ATOM 681 O ARG A 44 -11.253 11.426 -3.494 1.00 12.44 O ATOM 682 CB ARG A 44 -8.176 12.047 -4.379 1.00 65.10 C ATOM 683 CG ARG A 44 -7.037 13.062 -4.445 1.00 64.30 C ATOM 684 CD ARG A 44 -7.529 14.490 -4.228 1.00 1.42 C ATOM 685 NE ARG A 44 -8.530 14.886 -5.218 1.00 1.23 N ATOM 686 CZ ARG A 44 -9.448 15.793 -5.006 1.00 15.33 C ATOM 687 NH1 ARG A 44 -9.517 16.408 -3.869 1.00 34.14 N ATOM 688 NH2 ARG A 44 -10.298 16.085 -5.932 1.00 63.42 N ATOM 0 H ARG A 44 -7.134 11.542 -2.184 1.00 12.24 H new ATOM 0 HA ARG A 44 -9.387 13.085 -2.933 1.00 22.13 H new ATOM 0 HB2 ARG A 44 -7.766 11.046 -4.515 1.00 65.10 H new ATOM 0 HB3 ARG A 44 -8.859 12.227 -5.209 1.00 65.10 H new ATOM 0 HG2 ARG A 44 -6.290 12.818 -3.690 1.00 64.30 H new ATOM 0 HG3 ARG A 44 -6.545 12.992 -5.415 1.00 64.30 H new ATOM 0 HD2 ARG A 44 -7.955 14.578 -3.228 1.00 1.42 H new ATOM 0 HD3 ARG A 44 -6.683 15.175 -4.275 1.00 1.42 H new ATOM 0 HE ARG A 44 -8.511 14.427 -6.129 1.00 1.23 H new ATOM 0 HH11 ARG A 44 -8.852 16.187 -3.128 1.00 34.14 H new ATOM 0 HH12 ARG A 44 -10.237 17.114 -3.714 1.00 34.14 H new ATOM 0 HH21 ARG A 44 -10.255 15.608 -6.833 1.00 63.42 H new ATOM 0 HH22 ARG A 44 -11.013 16.793 -5.763 1.00 63.42 H new ATOM 702 N ALA A 45 -9.848 9.837 -2.732 1.00 3.15 N ATOM 703 CA ALA A 45 -10.870 8.787 -2.651 1.00 52.33 C ATOM 704 C ALA A 45 -10.527 7.772 -1.549 1.00 2.21 C ATOM 705 O ALA A 45 -9.397 7.733 -1.060 1.00 33.25 O ATOM 706 CB ALA A 45 -11.012 8.086 -4.000 1.00 64.41 C ATOM 0 H ALA A 45 -8.912 9.527 -2.471 1.00 3.15 H new ATOM 0 HA ALA A 45 -11.822 9.252 -2.396 1.00 52.33 H new ATOM 0 HB1 ALA A 45 -11.773 7.309 -3.928 1.00 64.41 H new ATOM 0 HB2 ALA A 45 -11.305 8.812 -4.758 1.00 64.41 H new ATOM 0 HB3 ALA A 45 -10.059 7.636 -4.278 1.00 64.41 H new ATOM 712 N ASP A 46 -11.505 6.960 -1.156 1.00 53.25 N ATOM 713 CA ASP A 46 -11.289 5.918 -0.148 1.00 43.23 C ATOM 714 C ASP A 46 -10.302 4.852 -0.662 1.00 65.14 C ATOM 715 O ASP A 46 -10.708 3.806 -1.171 1.00 4.40 O ATOM 716 CB ASP A 46 -12.625 5.267 0.229 1.00 1.34 C ATOM 717 CG ASP A 46 -13.638 6.272 0.751 1.00 34.14 C ATOM 718 OD1 ASP A 46 -14.164 7.067 -0.058 1.00 2.40 O ATOM 719 OD2 ASP A 46 -13.907 6.280 1.970 1.00 53.33 O ATOM 0 H ASP A 46 -12.457 7.001 -1.519 1.00 53.25 H new ATOM 0 HA ASP A 46 -10.856 6.382 0.739 1.00 43.23 H new ATOM 0 HB2 ASP A 46 -13.037 4.761 -0.644 1.00 1.34 H new ATOM 0 HB3 ASP A 46 -12.452 4.504 0.988 1.00 1.34 H new ATOM 724 N ALA A 47 -9.009 5.140 -0.546 1.00 61.34 N ATOM 725 CA ALA A 47 -7.954 4.265 -1.076 1.00 12.44 C ATOM 726 C ALA A 47 -7.950 2.879 -0.414 1.00 22.43 C ATOM 727 O ALA A 47 -8.042 1.856 -1.094 1.00 63.33 O ATOM 728 CB ALA A 47 -6.592 4.930 -0.913 1.00 33.31 C ATOM 0 H ALA A 47 -8.659 5.980 -0.086 1.00 61.34 H new ATOM 0 HA ALA A 47 -8.164 4.113 -2.135 1.00 12.44 H new ATOM 0 HB1 ALA A 47 -5.817 4.274 -1.309 1.00 33.31 H new ATOM 0 HB2 ALA A 47 -6.581 5.874 -1.457 1.00 33.31 H new ATOM 0 HB3 ALA A 47 -6.403 5.118 0.144 1.00 33.31 H new ATOM 734 N TRP A 48 -7.855 2.853 0.912 1.00 34.20 N ATOM 735 CA TRP A 48 -7.771 1.590 1.659 1.00 1.40 C ATOM 736 C TRP A 48 -9.067 0.769 1.513 1.00 11.35 C ATOM 737 O TRP A 48 -9.030 -0.455 1.376 1.00 14.22 O ATOM 738 CB TRP A 48 -7.477 1.881 3.138 1.00 35.41 C ATOM 739 CG TRP A 48 -6.967 0.690 3.899 1.00 2.32 C ATOM 740 CD1 TRP A 48 -5.688 0.207 3.901 1.00 31.04 C ATOM 741 CD2 TRP A 48 -7.714 -0.159 4.781 1.00 33.35 C ATOM 742 NE1 TRP A 48 -5.598 -0.889 4.722 1.00 70.34 N ATOM 743 CE2 TRP A 48 -6.826 -1.133 5.273 1.00 74.04 C ATOM 744 CE3 TRP A 48 -9.048 -0.190 5.199 1.00 51.44 C ATOM 745 CZ2 TRP A 48 -7.228 -2.124 6.163 1.00 51.11 C ATOM 746 CZ3 TRP A 48 -9.445 -1.176 6.082 1.00 54.22 C ATOM 747 CH2 TRP A 48 -8.538 -2.130 6.555 1.00 74.44 C ATOM 0 H TRP A 48 -7.834 3.689 1.496 1.00 34.20 H new ATOM 0 HA TRP A 48 -6.957 0.996 1.244 1.00 1.40 H new ATOM 0 HB2 TRP A 48 -6.742 2.684 3.202 1.00 35.41 H new ATOM 0 HB3 TRP A 48 -8.387 2.243 3.616 1.00 35.41 H new ATOM 0 HD1 TRP A 48 -4.868 0.627 3.338 1.00 31.04 H new ATOM 0 HE1 TRP A 48 -4.753 -1.433 4.894 1.00 70.34 H new ATOM 0 HE3 TRP A 48 -9.755 0.543 4.839 1.00 51.44 H new ATOM 0 HZ2 TRP A 48 -6.531 -2.862 6.531 1.00 51.11 H new ATOM 0 HZ3 TRP A 48 -10.473 -1.211 6.412 1.00 54.22 H new ATOM 0 HH2 TRP A 48 -8.880 -2.888 7.245 1.00 74.44 H new ATOM 758 N GLN A 49 -10.208 1.460 1.518 1.00 54.14 N ATOM 759 CA GLN A 49 -11.519 0.815 1.361 1.00 43.02 C ATOM 760 C GLN A 49 -11.664 0.143 -0.018 1.00 53.34 C ATOM 761 O GLN A 49 -12.226 -0.949 -0.132 1.00 41.33 O ATOM 762 CB GLN A 49 -12.638 1.851 1.567 1.00 0.53 C ATOM 763 CG GLN A 49 -14.054 1.296 1.398 1.00 23.31 C ATOM 764 CD GLN A 49 -14.398 0.175 2.372 1.00 23.14 C ATOM 765 OE1 GLN A 49 -13.839 0.215 3.566 1.00 22.22 O flip ATOM 766 NE2 GLN A 49 -15.181 -0.717 2.052 1.00 71.10 N flip ATOM 0 H GLN A 49 -10.254 2.473 1.630 1.00 54.14 H new ATOM 0 HA GLN A 49 -11.601 0.034 2.117 1.00 43.02 H new ATOM 0 HB2 GLN A 49 -12.544 2.275 2.567 1.00 0.53 H new ATOM 0 HB3 GLN A 49 -12.495 2.668 0.860 1.00 0.53 H new ATOM 0 HG2 GLN A 49 -14.770 2.108 1.526 1.00 23.31 H new ATOM 0 HG3 GLN A 49 -14.170 0.927 0.379 1.00 23.31 H new ATOM 0 HE21 GLN A 49 -15.597 -0.720 1.121 1.00 71.10 H new ATOM 0 HE22 GLN A 49 -15.415 -1.454 2.718 1.00 71.10 H new ATOM 775 N GLN A 50 -11.162 0.796 -1.063 1.00 23.11 N ATOM 776 CA GLN A 50 -11.195 0.227 -2.417 1.00 61.45 C ATOM 777 C GLN A 50 -10.158 -0.900 -2.576 1.00 44.35 C ATOM 778 O GLN A 50 -10.446 -1.942 -3.167 1.00 43.11 O ATOM 779 CB GLN A 50 -10.954 1.328 -3.460 1.00 33.24 C ATOM 780 CG GLN A 50 -12.060 2.380 -3.507 1.00 22.42 C ATOM 781 CD GLN A 50 -11.766 3.507 -4.485 1.00 33.12 C ATOM 782 OE1 GLN A 50 -12.127 3.448 -5.653 1.00 42.10 O ATOM 783 NE2 GLN A 50 -11.103 4.545 -4.015 1.00 61.43 N ATOM 0 H GLN A 50 -10.728 1.717 -1.004 1.00 23.11 H new ATOM 0 HA GLN A 50 -12.183 -0.204 -2.578 1.00 61.45 H new ATOM 0 HB2 GLN A 50 -10.006 1.820 -3.244 1.00 33.24 H new ATOM 0 HB3 GLN A 50 -10.858 0.870 -4.444 1.00 33.24 H new ATOM 0 HG2 GLN A 50 -12.999 1.900 -3.785 1.00 22.42 H new ATOM 0 HG3 GLN A 50 -12.199 2.798 -2.510 1.00 22.42 H new ATOM 0 HE21 GLN A 50 -10.815 4.566 -3.037 1.00 61.43 H new ATOM 0 HE22 GLN A 50 -10.878 5.327 -4.630 1.00 61.43 H new ATOM 792 N LEU A 51 -8.956 -0.691 -2.031 1.00 33.34 N ATOM 793 CA LEU A 51 -7.896 -1.709 -2.079 1.00 41.54 C ATOM 794 C LEU A 51 -8.352 -3.022 -1.424 1.00 52.21 C ATOM 795 O LEU A 51 -8.240 -4.097 -2.019 1.00 11.03 O ATOM 796 CB LEU A 51 -6.621 -1.196 -1.388 1.00 11.25 C ATOM 797 CG LEU A 51 -5.438 -2.187 -1.366 1.00 71.43 C ATOM 798 CD1 LEU A 51 -5.009 -2.556 -2.784 1.00 62.03 C ATOM 799 CD2 LEU A 51 -4.264 -1.613 -0.576 1.00 44.14 C ATOM 0 H LEU A 51 -8.691 0.170 -1.553 1.00 33.34 H new ATOM 0 HA LEU A 51 -7.678 -1.907 -3.128 1.00 41.54 H new ATOM 0 HB2 LEU A 51 -6.299 -0.283 -1.888 1.00 11.25 H new ATOM 0 HB3 LEU A 51 -6.867 -0.927 -0.361 1.00 11.25 H new ATOM 0 HG LEU A 51 -5.770 -3.097 -0.867 1.00 71.43 H new ATOM 0 HD11 LEU A 51 -4.174 -3.255 -2.741 1.00 62.03 H new ATOM 0 HD12 LEU A 51 -5.845 -3.020 -3.308 1.00 62.03 H new ATOM 0 HD13 LEU A 51 -4.702 -1.656 -3.317 1.00 62.03 H new ATOM 0 HD21 LEU A 51 -3.442 -2.329 -0.574 1.00 44.14 H new ATOM 0 HD22 LEU A 51 -3.934 -0.683 -1.039 1.00 44.14 H new ATOM 0 HD23 LEU A 51 -4.577 -1.417 0.450 1.00 44.14 H new ATOM 811 N LYS A 52 -8.869 -2.929 -0.197 1.00 3.01 N ATOM 812 CA LYS A 52 -9.355 -4.112 0.519 1.00 32.31 C ATOM 813 C LYS A 52 -10.509 -4.774 -0.248 1.00 61.01 C ATOM 814 O LYS A 52 -10.574 -5.996 -0.353 1.00 4.53 O ATOM 815 CB LYS A 52 -9.799 -3.749 1.950 1.00 3.31 C ATOM 816 CG LYS A 52 -11.122 -2.991 2.028 1.00 33.22 C ATOM 817 CD LYS A 52 -11.488 -2.614 3.462 1.00 54.32 C ATOM 818 CE LYS A 52 -11.488 -3.826 4.392 1.00 34.00 C ATOM 819 NZ LYS A 52 -12.437 -4.884 3.952 1.00 25.23 N ATOM 0 H LYS A 52 -8.962 -2.054 0.319 1.00 3.01 H new ATOM 0 HA LYS A 52 -8.532 -4.823 0.588 1.00 32.31 H new ATOM 0 HB2 LYS A 52 -9.885 -4.665 2.534 1.00 3.31 H new ATOM 0 HB3 LYS A 52 -9.021 -3.145 2.416 1.00 3.31 H new ATOM 0 HG2 LYS A 52 -11.057 -2.087 1.422 1.00 33.22 H new ATOM 0 HG3 LYS A 52 -11.916 -3.604 1.602 1.00 33.22 H new ATOM 0 HD2 LYS A 52 -10.781 -1.873 3.833 1.00 54.32 H new ATOM 0 HD3 LYS A 52 -12.473 -2.148 3.474 1.00 54.32 H new ATOM 0 HE2 LYS A 52 -10.482 -4.243 4.440 1.00 34.00 H new ATOM 0 HE3 LYS A 52 -11.749 -3.506 5.401 1.00 34.00 H new ATOM 0 HZ1 LYS A 52 -12.474 -5.637 4.668 1.00 25.23 H new ATOM 0 HZ2 LYS A 52 -13.385 -4.473 3.833 1.00 25.23 H new ATOM 0 HZ3 LYS A 52 -12.117 -5.283 3.047 1.00 25.23 H new ATOM 833 N ASP A 53 -11.400 -3.949 -0.801 1.00 12.33 N ATOM 834 CA ASP A 53 -12.560 -4.432 -1.560 1.00 31.14 C ATOM 835 C ASP A 53 -12.126 -5.371 -2.699 1.00 3.42 C ATOM 836 O ASP A 53 -12.678 -6.462 -2.874 1.00 62.42 O ATOM 837 CB ASP A 53 -13.324 -3.229 -2.126 1.00 15.13 C ATOM 838 CG ASP A 53 -14.689 -3.606 -2.670 1.00 34.13 C ATOM 839 OD1 ASP A 53 -14.773 -4.080 -3.821 1.00 72.41 O ATOM 840 OD2 ASP A 53 -15.689 -3.424 -1.940 1.00 41.22 O ATOM 0 H ASP A 53 -11.341 -2.933 -0.737 1.00 12.33 H new ATOM 0 HA ASP A 53 -13.208 -5.000 -0.892 1.00 31.14 H new ATOM 0 HB2 ASP A 53 -13.443 -2.479 -1.344 1.00 15.13 H new ATOM 0 HB3 ASP A 53 -12.735 -2.770 -2.920 1.00 15.13 H new ATOM 845 N GLU A 54 -11.127 -4.933 -3.460 1.00 61.13 N ATOM 846 CA GLU A 54 -10.553 -5.731 -4.545 1.00 24.40 C ATOM 847 C GLU A 54 -9.973 -7.057 -4.025 1.00 72.03 C ATOM 848 O GLU A 54 -10.230 -8.123 -4.587 1.00 44.30 O ATOM 849 CB GLU A 54 -9.456 -4.924 -5.254 1.00 32.23 C ATOM 850 CG GLU A 54 -9.957 -3.640 -5.912 1.00 22.12 C ATOM 851 CD GLU A 54 -10.903 -3.906 -7.072 1.00 74.42 C ATOM 852 OE1 GLU A 54 -10.408 -4.155 -8.190 1.00 13.32 O ATOM 853 OE2 GLU A 54 -12.135 -3.879 -6.877 1.00 55.43 O ATOM 0 H GLU A 54 -10.692 -4.018 -3.344 1.00 61.13 H new ATOM 0 HA GLU A 54 -11.351 -5.969 -5.249 1.00 24.40 H new ATOM 0 HB2 GLU A 54 -8.681 -4.671 -4.531 1.00 32.23 H new ATOM 0 HB3 GLU A 54 -8.991 -5.552 -6.014 1.00 32.23 H new ATOM 0 HG2 GLU A 54 -10.466 -3.029 -5.166 1.00 22.12 H new ATOM 0 HG3 GLU A 54 -9.104 -3.063 -6.269 1.00 22.12 H new ATOM 860 N LEU A 55 -9.196 -6.985 -2.944 1.00 25.01 N ATOM 861 CA LEU A 55 -8.571 -8.177 -2.354 1.00 25.14 C ATOM 862 C LEU A 55 -9.618 -9.186 -1.849 1.00 11.34 C ATOM 863 O LEU A 55 -9.413 -10.397 -1.934 1.00 70.03 O ATOM 864 CB LEU A 55 -7.630 -7.768 -1.214 1.00 61.12 C ATOM 865 CG LEU A 55 -6.410 -6.931 -1.643 1.00 72.11 C ATOM 866 CD1 LEU A 55 -5.613 -6.481 -0.423 1.00 40.22 C ATOM 867 CD2 LEU A 55 -5.523 -7.721 -2.609 1.00 64.21 C ATOM 0 H LEU A 55 -8.982 -6.115 -2.456 1.00 25.01 H new ATOM 0 HA LEU A 55 -7.996 -8.671 -3.137 1.00 25.14 H new ATOM 0 HB2 LEU A 55 -8.200 -7.200 -0.479 1.00 61.12 H new ATOM 0 HB3 LEU A 55 -7.275 -8.670 -0.715 1.00 61.12 H new ATOM 0 HG LEU A 55 -6.770 -6.043 -2.163 1.00 72.11 H new ATOM 0 HD11 LEU A 55 -4.755 -5.891 -0.746 1.00 40.22 H new ATOM 0 HD12 LEU A 55 -6.248 -5.875 0.223 1.00 40.22 H new ATOM 0 HD13 LEU A 55 -5.265 -7.355 0.127 1.00 40.22 H new ATOM 0 HD21 LEU A 55 -4.668 -7.111 -2.899 1.00 64.21 H new ATOM 0 HD22 LEU A 55 -5.172 -8.630 -2.120 1.00 64.21 H new ATOM 0 HD23 LEU A 55 -6.097 -7.986 -3.497 1.00 64.21 H new ATOM 879 N GLU A 56 -10.737 -8.683 -1.327 1.00 71.41 N ATOM 880 CA GLU A 56 -11.836 -9.546 -0.873 1.00 35.10 C ATOM 881 C GLU A 56 -12.541 -10.220 -2.061 1.00 12.44 C ATOM 882 O GLU A 56 -13.027 -11.351 -1.955 1.00 71.20 O ATOM 883 CB GLU A 56 -12.868 -8.736 -0.073 1.00 53.03 C ATOM 884 CG GLU A 56 -12.296 -7.987 1.126 1.00 43.02 C ATOM 885 CD GLU A 56 -11.634 -8.891 2.151 1.00 74.20 C ATOM 886 OE1 GLU A 56 -12.264 -9.885 2.573 1.00 5.12 O ATOM 887 OE2 GLU A 56 -10.495 -8.585 2.562 1.00 75.24 O ATOM 0 H GLU A 56 -10.909 -7.685 -1.207 1.00 71.41 H new ATOM 0 HA GLU A 56 -11.401 -10.315 -0.235 1.00 35.10 H new ATOM 0 HB2 GLU A 56 -13.343 -8.017 -0.741 1.00 53.03 H new ATOM 0 HB3 GLU A 56 -13.649 -9.411 0.276 1.00 53.03 H new ATOM 0 HG2 GLU A 56 -11.567 -7.257 0.773 1.00 43.02 H new ATOM 0 HG3 GLU A 56 -13.097 -7.429 1.610 1.00 43.02 H new ATOM 894 N ALA A 57 -12.607 -9.507 -3.184 1.00 63.11 N ATOM 895 CA ALA A 57 -13.258 -10.015 -4.398 1.00 51.13 C ATOM 896 C ALA A 57 -12.401 -11.077 -5.108 1.00 71.24 C ATOM 897 O ALA A 57 -12.926 -12.041 -5.670 1.00 63.42 O ATOM 898 CB ALA A 57 -13.563 -8.863 -5.348 1.00 12.35 C ATOM 0 H ALA A 57 -12.216 -8.570 -3.282 1.00 63.11 H new ATOM 0 HA ALA A 57 -14.190 -10.494 -4.098 1.00 51.13 H new ATOM 0 HB1 ALA A 57 -14.046 -9.250 -6.246 1.00 12.35 H new ATOM 0 HB2 ALA A 57 -14.227 -8.152 -4.856 1.00 12.35 H new ATOM 0 HB3 ALA A 57 -12.635 -8.362 -5.622 1.00 12.35 H new ATOM 904 N LYS A 58 -11.083 -10.891 -5.089 1.00 23.33 N ATOM 905 CA LYS A 58 -10.156 -11.846 -5.705 1.00 60.21 C ATOM 906 C LYS A 58 -9.945 -13.057 -4.780 1.00 24.52 C ATOM 907 O LYS A 58 -9.016 -13.092 -3.975 1.00 21.22 O ATOM 908 CB LYS A 58 -8.823 -11.152 -6.016 1.00 32.35 C ATOM 909 CG LYS A 58 -8.979 -9.860 -6.811 1.00 2.41 C ATOM 910 CD LYS A 58 -7.640 -9.161 -7.033 1.00 60.10 C ATOM 911 CE LYS A 58 -7.812 -7.780 -7.659 1.00 54.44 C ATOM 912 NZ LYS A 58 -8.577 -7.834 -8.931 1.00 35.42 N ATOM 0 H LYS A 58 -10.630 -10.088 -4.654 1.00 23.33 H new ATOM 0 HA LYS A 58 -10.583 -12.207 -6.641 1.00 60.21 H new ATOM 0 HB2 LYS A 58 -8.310 -10.933 -5.080 1.00 32.35 H new ATOM 0 HB3 LYS A 58 -8.187 -11.838 -6.575 1.00 32.35 H new ATOM 0 HG2 LYS A 58 -9.437 -10.080 -7.775 1.00 2.41 H new ATOM 0 HG3 LYS A 58 -9.656 -9.188 -6.283 1.00 2.41 H new ATOM 0 HD2 LYS A 58 -7.119 -9.065 -6.080 1.00 60.10 H new ATOM 0 HD3 LYS A 58 -7.013 -9.776 -7.678 1.00 60.10 H new ATOM 0 HE2 LYS A 58 -8.326 -7.125 -6.955 1.00 54.44 H new ATOM 0 HE3 LYS A 58 -6.831 -7.342 -7.845 1.00 54.44 H new ATOM 0 HZ1 LYS A 58 -8.540 -6.905 -9.398 1.00 35.42 H new ATOM 0 HZ2 LYS A 58 -8.160 -8.553 -9.556 1.00 35.42 H new ATOM 0 HZ3 LYS A 58 -9.567 -8.082 -8.730 1.00 35.42 H new ATOM 926 N HIS A 59 -10.821 -14.050 -4.909 1.00 60.32 N ATOM 927 CA HIS A 59 -10.905 -15.154 -3.946 1.00 3.40 C ATOM 928 C HIS A 59 -9.650 -16.047 -3.928 1.00 15.12 C ATOM 929 O HIS A 59 -9.479 -16.854 -3.013 1.00 42.51 O ATOM 930 CB HIS A 59 -12.153 -15.999 -4.231 1.00 41.31 C ATOM 931 CG HIS A 59 -12.503 -16.942 -3.120 1.00 72.04 C ATOM 932 ND1 HIS A 59 -12.456 -18.316 -3.246 1.00 33.21 N ATOM 933 CD2 HIS A 59 -12.913 -16.702 -1.849 1.00 21.21 C ATOM 934 CE1 HIS A 59 -12.817 -18.874 -2.110 1.00 14.35 C ATOM 935 NE2 HIS A 59 -13.098 -17.921 -1.248 1.00 34.13 N ATOM 0 H HIS A 59 -11.490 -14.116 -5.676 1.00 60.32 H new ATOM 0 HA HIS A 59 -10.975 -14.703 -2.956 1.00 3.40 H new ATOM 0 HB2 HIS A 59 -12.998 -15.335 -4.413 1.00 41.31 H new ATOM 0 HB3 HIS A 59 -11.994 -16.570 -5.145 1.00 41.31 H new ATOM 0 HD2 HIS A 59 -13.065 -15.734 -1.396 1.00 21.21 H new ATOM 0 HE1 HIS A 59 -12.873 -19.935 -1.918 1.00 14.35 H new ATOM 0 HE2 HIS A 59 -13.405 -18.065 -0.286 1.00 34.13 H new ATOM 944 N TRP A 60 -8.780 -15.911 -4.929 1.00 30.21 N ATOM 945 CA TRP A 60 -7.541 -16.703 -4.972 1.00 5.43 C ATOM 946 C TRP A 60 -6.454 -16.116 -4.051 1.00 62.15 C ATOM 947 O TRP A 60 -5.404 -16.727 -3.845 1.00 54.42 O ATOM 948 CB TRP A 60 -7.023 -16.846 -6.415 1.00 24.03 C ATOM 949 CG TRP A 60 -6.616 -15.558 -7.074 1.00 70.53 C ATOM 950 CD1 TRP A 60 -7.439 -14.622 -7.630 1.00 54.44 C ATOM 951 CD2 TRP A 60 -5.281 -15.085 -7.270 1.00 62.44 C ATOM 952 NE1 TRP A 60 -6.698 -13.590 -8.148 1.00 50.52 N ATOM 953 CE2 TRP A 60 -5.369 -13.852 -7.942 1.00 34.33 C ATOM 954 CE3 TRP A 60 -4.018 -15.583 -6.940 1.00 73.12 C ATOM 955 CZ2 TRP A 60 -4.244 -13.111 -8.289 1.00 43.34 C ATOM 956 CZ3 TRP A 60 -2.901 -14.846 -7.284 1.00 3.30 C ATOM 957 CH2 TRP A 60 -3.021 -13.624 -7.955 1.00 34.22 C ATOM 0 H TRP A 60 -8.903 -15.270 -5.713 1.00 30.21 H new ATOM 0 HA TRP A 60 -7.781 -17.698 -4.598 1.00 5.43 H new ATOM 0 HB2 TRP A 60 -6.168 -17.522 -6.413 1.00 24.03 H new ATOM 0 HB3 TRP A 60 -7.799 -17.316 -7.019 1.00 24.03 H new ATOM 0 HD1 TRP A 60 -8.517 -14.685 -7.658 1.00 54.44 H new ATOM 0 HE1 TRP A 60 -7.075 -12.763 -8.611 1.00 50.52 H new ATOM 0 HE3 TRP A 60 -3.917 -16.527 -6.425 1.00 73.12 H new ATOM 0 HZ2 TRP A 60 -4.333 -12.165 -8.803 1.00 43.34 H new ATOM 0 HZ3 TRP A 60 -1.920 -15.219 -7.031 1.00 3.30 H new ATOM 0 HH2 TRP A 60 -2.129 -13.074 -8.215 1.00 34.22 H new ATOM 968 N ILE A 61 -6.714 -14.929 -3.498 1.00 13.43 N ATOM 969 CA ILE A 61 -5.841 -14.331 -2.480 1.00 71.30 C ATOM 970 C ILE A 61 -6.090 -14.990 -1.113 1.00 74.11 C ATOM 971 O ILE A 61 -7.230 -15.085 -0.657 1.00 5.31 O ATOM 972 CB ILE A 61 -6.067 -12.789 -2.356 1.00 73.04 C ATOM 973 CG1 ILE A 61 -5.403 -12.025 -3.516 1.00 75.34 C ATOM 974 CG2 ILE A 61 -5.544 -12.257 -1.017 1.00 45.40 C ATOM 975 CD1 ILE A 61 -5.849 -12.457 -4.893 1.00 64.41 C ATOM 0 H ILE A 61 -7.525 -14.359 -3.738 1.00 13.43 H new ATOM 0 HA ILE A 61 -4.812 -14.503 -2.794 1.00 71.30 H new ATOM 0 HB ILE A 61 -7.143 -12.621 -2.404 1.00 73.04 H new ATOM 0 HG12 ILE A 61 -5.611 -10.961 -3.399 1.00 75.34 H new ATOM 0 HG13 ILE A 61 -4.322 -12.149 -3.443 1.00 75.34 H new ATOM 0 HG21 ILE A 61 -5.715 -11.182 -0.961 1.00 45.40 H new ATOM 0 HG22 ILE A 61 -6.068 -12.751 -0.199 1.00 45.40 H new ATOM 0 HG23 ILE A 61 -4.476 -12.459 -0.938 1.00 45.40 H new ATOM 0 HD11 ILE A 61 -5.329 -11.865 -5.646 1.00 64.41 H new ATOM 0 HD12 ILE A 61 -5.616 -13.512 -5.037 1.00 64.41 H new ATOM 0 HD13 ILE A 61 -6.924 -12.306 -4.991 1.00 64.41 H new ATOM 987 N ALA A 62 -5.027 -15.459 -0.465 1.00 20.43 N ATOM 988 CA ALA A 62 -5.148 -16.053 0.869 1.00 60.44 C ATOM 989 C ALA A 62 -5.405 -14.974 1.928 1.00 10.14 C ATOM 990 O ALA A 62 -4.895 -13.854 1.820 1.00 13.02 O ATOM 991 CB ALA A 62 -3.894 -16.847 1.208 1.00 62.44 C ATOM 0 H ALA A 62 -4.077 -15.441 -0.836 1.00 20.43 H new ATOM 0 HA ALA A 62 -6.001 -16.731 0.866 1.00 60.44 H new ATOM 0 HB1 ALA A 62 -3.997 -17.283 2.202 1.00 62.44 H new ATOM 0 HB2 ALA A 62 -3.758 -17.642 0.475 1.00 62.44 H new ATOM 0 HB3 ALA A 62 -3.028 -16.185 1.190 1.00 62.44 H new ATOM 997 N GLU A 63 -6.191 -15.306 2.954 1.00 71.51 N ATOM 998 CA GLU A 63 -6.531 -14.342 4.009 1.00 1.12 C ATOM 999 C GLU A 63 -5.273 -13.735 4.645 1.00 25.04 C ATOM 1000 O GLU A 63 -5.220 -12.535 4.909 1.00 60.35 O ATOM 1001 CB GLU A 63 -7.416 -14.990 5.084 1.00 15.04 C ATOM 1002 CG GLU A 63 -7.805 -14.032 6.208 1.00 52.12 C ATOM 1003 CD GLU A 63 -8.909 -14.576 7.102 1.00 34.42 C ATOM 1004 OE1 GLU A 63 -10.090 -14.498 6.702 1.00 33.40 O ATOM 1005 OE2 GLU A 63 -8.608 -15.066 8.210 1.00 43.33 O ATOM 0 H GLU A 63 -6.604 -16.230 3.079 1.00 71.51 H new ATOM 0 HA GLU A 63 -7.093 -13.534 3.540 1.00 1.12 H new ATOM 0 HB2 GLU A 63 -8.322 -15.375 4.615 1.00 15.04 H new ATOM 0 HB3 GLU A 63 -6.890 -15.844 5.510 1.00 15.04 H new ATOM 0 HG2 GLU A 63 -6.926 -13.819 6.816 1.00 52.12 H new ATOM 0 HG3 GLU A 63 -8.130 -13.086 5.775 1.00 52.12 H new ATOM 1012 N ALA A 64 -4.263 -14.567 4.873 1.00 0.45 N ATOM 1013 CA ALA A 64 -2.966 -14.100 5.374 1.00 4.40 C ATOM 1014 C ALA A 64 -2.392 -12.968 4.503 1.00 70.03 C ATOM 1015 O ALA A 64 -1.961 -11.936 5.018 1.00 74.34 O ATOM 1016 CB ALA A 64 -1.989 -15.265 5.439 1.00 31.42 C ATOM 0 H ALA A 64 -4.314 -15.574 4.719 1.00 0.45 H new ATOM 0 HA ALA A 64 -3.117 -13.696 6.375 1.00 4.40 H new ATOM 0 HB1 ALA A 64 -1.027 -14.913 5.812 1.00 31.42 H new ATOM 0 HB2 ALA A 64 -2.380 -16.031 6.109 1.00 31.42 H new ATOM 0 HB3 ALA A 64 -1.859 -15.687 4.442 1.00 31.42 H new ATOM 1022 N ASP A 65 -2.416 -13.164 3.181 1.00 3.40 N ATOM 1023 CA ASP A 65 -1.883 -12.174 2.239 1.00 51.25 C ATOM 1024 C ASP A 65 -2.678 -10.859 2.267 1.00 62.13 C ATOM 1025 O ASP A 65 -2.092 -9.781 2.400 1.00 64.03 O ATOM 1026 CB ASP A 65 -1.869 -12.745 0.816 1.00 72.32 C ATOM 1027 CG ASP A 65 -0.875 -13.881 0.662 1.00 44.20 C ATOM 1028 OD1 ASP A 65 0.339 -13.603 0.595 1.00 3.15 O ATOM 1029 OD2 ASP A 65 -1.298 -15.052 0.605 1.00 61.02 O ATOM 0 H ASP A 65 -2.799 -13.999 2.739 1.00 3.40 H new ATOM 0 HA ASP A 65 -0.863 -11.950 2.552 1.00 51.25 H new ATOM 0 HB2 ASP A 65 -2.867 -13.101 0.560 1.00 72.32 H new ATOM 0 HB3 ASP A 65 -1.623 -11.951 0.111 1.00 72.32 H new ATOM 1034 N ARG A 66 -4.008 -10.941 2.143 1.00 11.20 N ATOM 1035 CA ARG A 66 -4.845 -9.733 2.141 1.00 70.50 C ATOM 1036 C ARG A 66 -4.671 -8.935 3.448 1.00 73.34 C ATOM 1037 O ARG A 66 -4.546 -7.714 3.422 1.00 1.40 O ATOM 1038 CB ARG A 66 -6.336 -10.066 1.913 1.00 10.22 C ATOM 1039 CG ARG A 66 -6.977 -10.905 3.015 1.00 44.23 C ATOM 1040 CD ARG A 66 -8.496 -10.983 2.874 1.00 52.43 C ATOM 1041 NE ARG A 66 -9.108 -11.725 3.984 1.00 75.22 N ATOM 1042 CZ ARG A 66 -9.859 -11.178 4.908 1.00 54.44 C ATOM 1043 NH1 ARG A 66 -10.204 -9.937 4.828 1.00 72.30 N ATOM 1044 NH2 ARG A 66 -10.296 -11.888 5.895 1.00 13.45 N ATOM 0 H ARG A 66 -4.523 -11.816 2.044 1.00 11.20 H new ATOM 0 HA ARG A 66 -4.509 -9.116 1.308 1.00 70.50 H new ATOM 0 HB2 ARG A 66 -6.892 -9.133 1.815 1.00 10.22 H new ATOM 0 HB3 ARG A 66 -6.435 -10.597 0.966 1.00 10.22 H new ATOM 0 HG2 ARG A 66 -6.560 -11.912 2.991 1.00 44.23 H new ATOM 0 HG3 ARG A 66 -6.726 -10.479 3.986 1.00 44.23 H new ATOM 0 HD2 ARG A 66 -8.910 -9.975 2.838 1.00 52.43 H new ATOM 0 HD3 ARG A 66 -8.749 -11.466 1.930 1.00 52.43 H new ATOM 0 HE ARG A 66 -8.938 -12.729 4.039 1.00 75.22 H new ATOM 0 HH11 ARG A 66 -9.892 -9.371 4.039 1.00 72.30 H new ATOM 0 HH12 ARG A 66 -10.789 -9.522 5.554 1.00 72.30 H new ATOM 0 HH21 ARG A 66 -10.057 -12.878 5.957 1.00 13.45 H new ATOM 0 HH22 ARG A 66 -10.880 -11.459 6.613 1.00 13.45 H new ATOM 1058 N ILE A 67 -4.638 -9.635 4.584 1.00 71.31 N ATOM 1059 CA ILE A 67 -4.444 -8.985 5.886 1.00 75.41 C ATOM 1060 C ILE A 67 -3.048 -8.346 5.987 1.00 55.23 C ATOM 1061 O ILE A 67 -2.911 -7.198 6.413 1.00 43.33 O ATOM 1062 CB ILE A 67 -4.653 -9.989 7.054 1.00 32.22 C ATOM 1063 CG1 ILE A 67 -6.092 -10.540 7.043 1.00 52.24 C ATOM 1064 CG2 ILE A 67 -4.338 -9.337 8.400 1.00 23.55 C ATOM 1065 CD1 ILE A 67 -7.164 -9.478 7.185 1.00 21.34 C ATOM 0 H ILE A 67 -4.743 -10.649 4.631 1.00 71.31 H new ATOM 0 HA ILE A 67 -5.193 -8.198 5.968 1.00 75.41 H new ATOM 0 HB ILE A 67 -3.963 -10.821 6.912 1.00 32.22 H new ATOM 0 HG12 ILE A 67 -6.255 -11.082 6.112 1.00 52.24 H new ATOM 0 HG13 ILE A 67 -6.200 -11.260 7.854 1.00 52.24 H new ATOM 0 HG21 ILE A 67 -4.492 -10.061 9.200 1.00 23.55 H new ATOM 0 HG22 ILE A 67 -3.301 -9.003 8.408 1.00 23.55 H new ATOM 0 HG23 ILE A 67 -4.996 -8.482 8.553 1.00 23.55 H new ATOM 0 HD11 ILE A 67 -8.147 -9.949 7.168 1.00 21.34 H new ATOM 0 HD12 ILE A 67 -7.031 -8.950 8.129 1.00 21.34 H new ATOM 0 HD13 ILE A 67 -7.086 -8.770 6.360 1.00 21.34 H new ATOM 1077 N ASN A 68 -2.021 -9.091 5.575 1.00 35.44 N ATOM 1078 CA ASN A 68 -0.635 -8.597 5.591 1.00 64.21 C ATOM 1079 C ASN A 68 -0.492 -7.273 4.820 1.00 14.32 C ATOM 1080 O ASN A 68 -0.101 -6.247 5.386 1.00 12.33 O ATOM 1081 CB ASN A 68 0.301 -9.648 4.978 1.00 31.34 C ATOM 1082 CG ASN A 68 1.743 -9.178 4.887 1.00 65.05 C ATOM 1083 OD1 ASN A 68 2.231 -8.447 5.739 1.00 11.44 O ATOM 1084 ND2 ASN A 68 2.426 -9.580 3.835 1.00 31.12 N ATOM 0 H ASN A 68 -2.120 -10.044 5.224 1.00 35.44 H new ATOM 0 HA ASN A 68 -0.362 -8.415 6.630 1.00 64.21 H new ATOM 0 HB2 ASN A 68 0.258 -10.558 5.577 1.00 31.34 H new ATOM 0 HB3 ASN A 68 -0.055 -9.906 3.981 1.00 31.34 H new ATOM 0 HD21 ASN A 68 3.394 -9.282 3.711 1.00 31.12 H new ATOM 0 HD22 ASN A 68 1.987 -10.189 3.145 1.00 31.12 H new ATOM 1091 N VAL A 69 -0.829 -7.300 3.531 1.00 55.03 N ATOM 1092 CA VAL A 69 -0.663 -6.129 2.665 1.00 14.23 C ATOM 1093 C VAL A 69 -1.542 -4.944 3.107 1.00 1.33 C ATOM 1094 O VAL A 69 -1.126 -3.790 3.015 1.00 41.45 O ATOM 1095 CB VAL A 69 -0.942 -6.467 1.178 1.00 14.54 C ATOM 1096 CG1 VAL A 69 0.041 -7.526 0.678 1.00 21.30 C ATOM 1097 CG2 VAL A 69 -2.386 -6.921 0.980 1.00 60.25 C ATOM 0 H VAL A 69 -1.218 -8.118 3.062 1.00 55.03 H new ATOM 0 HA VAL A 69 0.381 -5.830 2.763 1.00 14.23 H new ATOM 0 HB VAL A 69 -0.798 -5.562 0.589 1.00 14.54 H new ATOM 0 HG11 VAL A 69 -0.168 -7.752 -0.368 1.00 21.30 H new ATOM 0 HG12 VAL A 69 1.060 -7.150 0.771 1.00 21.30 H new ATOM 0 HG13 VAL A 69 -0.067 -8.432 1.274 1.00 21.30 H new ATOM 0 HG21 VAL A 69 -2.554 -7.152 -0.072 1.00 60.25 H new ATOM 0 HG22 VAL A 69 -2.573 -7.811 1.581 1.00 60.25 H new ATOM 0 HG23 VAL A 69 -3.063 -6.125 1.290 1.00 60.25 H new ATOM 1107 N LEU A 70 -2.748 -5.228 3.602 1.00 23.55 N ATOM 1108 CA LEU A 70 -3.639 -4.174 4.103 1.00 32.01 C ATOM 1109 C LEU A 70 -3.086 -3.521 5.377 1.00 14.03 C ATOM 1110 O LEU A 70 -3.166 -2.305 5.539 1.00 71.21 O ATOM 1111 CB LEU A 70 -5.044 -4.729 4.367 1.00 54.34 C ATOM 1112 CG LEU A 70 -5.863 -5.059 3.106 1.00 3.14 C ATOM 1113 CD1 LEU A 70 -7.203 -5.690 3.478 1.00 61.21 C ATOM 1114 CD2 LEU A 70 -6.069 -3.804 2.259 1.00 4.43 C ATOM 0 H LEU A 70 -3.130 -6.171 3.668 1.00 23.55 H new ATOM 0 HA LEU A 70 -3.699 -3.408 3.329 1.00 32.01 H new ATOM 0 HB2 LEU A 70 -4.954 -5.633 4.969 1.00 54.34 H new ATOM 0 HB3 LEU A 70 -5.599 -4.003 4.962 1.00 54.34 H new ATOM 0 HG LEU A 70 -5.304 -5.784 2.514 1.00 3.14 H new ATOM 0 HD11 LEU A 70 -7.764 -5.914 2.571 1.00 61.21 H new ATOM 0 HD12 LEU A 70 -7.029 -6.611 4.034 1.00 61.21 H new ATOM 0 HD13 LEU A 70 -7.773 -4.996 4.095 1.00 61.21 H new ATOM 0 HD21 LEU A 70 -6.650 -4.055 1.372 1.00 4.43 H new ATOM 0 HD22 LEU A 70 -6.604 -3.055 2.843 1.00 4.43 H new ATOM 0 HD23 LEU A 70 -5.100 -3.405 1.958 1.00 4.43 H new ATOM 1126 N ASN A 71 -2.524 -4.328 6.277 1.00 64.54 N ATOM 1127 CA ASN A 71 -1.934 -3.805 7.514 1.00 74.32 C ATOM 1128 C ASN A 71 -0.717 -2.915 7.229 1.00 22.14 C ATOM 1129 O ASN A 71 -0.641 -1.780 7.712 1.00 55.54 O ATOM 1130 CB ASN A 71 -1.543 -4.948 8.459 1.00 15.02 C ATOM 1131 CG ASN A 71 -2.752 -5.615 9.090 1.00 54.04 C ATOM 1132 OD1 ASN A 71 -3.789 -4.992 9.296 1.00 30.12 O ATOM 1133 ND2 ASN A 71 -2.628 -6.883 9.412 1.00 2.24 N ATOM 0 H ASN A 71 -2.464 -5.341 6.176 1.00 64.54 H new ATOM 0 HA ASN A 71 -2.693 -3.192 7.999 1.00 74.32 H new ATOM 0 HB2 ASN A 71 -0.968 -5.691 7.907 1.00 15.02 H new ATOM 0 HB3 ASN A 71 -0.894 -4.561 9.244 1.00 15.02 H new ATOM 0 HD21 ASN A 71 -3.407 -7.377 9.846 1.00 2.24 H new ATOM 0 HD22 ASN A 71 -1.752 -7.373 9.228 1.00 2.24 H new ATOM 1140 N GLN A 72 0.232 -3.420 6.439 1.00 41.42 N ATOM 1141 CA GLN A 72 1.423 -2.638 6.088 1.00 32.44 C ATOM 1142 C GLN A 72 1.040 -1.394 5.265 1.00 73.25 C ATOM 1143 O GLN A 72 1.672 -0.343 5.381 1.00 33.42 O ATOM 1144 CB GLN A 72 2.452 -3.505 5.343 1.00 32.55 C ATOM 1145 CG GLN A 72 1.953 -4.090 4.026 1.00 3.01 C ATOM 1146 CD GLN A 72 2.944 -5.050 3.379 1.00 24.52 C ATOM 1147 OE1 GLN A 72 3.026 -5.151 2.162 1.00 72.44 O ATOM 1148 NE2 GLN A 72 3.690 -5.779 4.186 1.00 64.52 N ATOM 0 H GLN A 72 0.203 -4.355 6.033 1.00 41.42 H new ATOM 0 HA GLN A 72 1.887 -2.295 7.013 1.00 32.44 H new ATOM 0 HB2 GLN A 72 3.339 -2.904 5.145 1.00 32.55 H new ATOM 0 HB3 GLN A 72 2.759 -4.322 5.995 1.00 32.55 H new ATOM 0 HG2 GLN A 72 1.013 -4.613 4.202 1.00 3.01 H new ATOM 0 HG3 GLN A 72 1.740 -3.276 3.332 1.00 3.01 H new ATOM 0 HE21 GLN A 72 3.601 -5.674 5.197 1.00 64.52 H new ATOM 0 HE22 GLN A 72 4.356 -6.448 3.799 1.00 64.52 H new ATOM 1157 N ALA A 73 -0.016 -1.513 4.452 1.00 2.30 N ATOM 1158 CA ALA A 73 -0.576 -0.359 3.737 1.00 11.53 C ATOM 1159 C ALA A 73 -1.084 0.699 4.724 1.00 33.02 C ATOM 1160 O ALA A 73 -0.779 1.884 4.592 1.00 41.34 O ATOM 1161 CB ALA A 73 -1.704 -0.799 2.805 1.00 65.42 C ATOM 0 H ALA A 73 -0.499 -2.393 4.273 1.00 2.30 H new ATOM 0 HA ALA A 73 0.218 0.084 3.136 1.00 11.53 H new ATOM 0 HB1 ALA A 73 -2.106 0.070 2.284 1.00 65.42 H new ATOM 0 HB2 ALA A 73 -1.317 -1.511 2.076 1.00 65.42 H new ATOM 0 HB3 ALA A 73 -2.495 -1.270 3.388 1.00 65.42 H new ATOM 1167 N THR A 74 -1.854 0.255 5.719 1.00 4.44 N ATOM 1168 CA THR A 74 -2.345 1.138 6.783 1.00 54.21 C ATOM 1169 C THR A 74 -1.184 1.870 7.466 1.00 1.55 C ATOM 1170 O THR A 74 -1.238 3.082 7.683 1.00 74.23 O ATOM 1171 CB THR A 74 -3.138 0.354 7.860 1.00 32.53 C ATOM 1172 OG1 THR A 74 -4.223 -0.359 7.255 1.00 62.21 O ATOM 1173 CG2 THR A 74 -3.685 1.289 8.935 1.00 3.20 C ATOM 0 H THR A 74 -2.153 -0.716 5.812 1.00 4.44 H new ATOM 0 HA THR A 74 -3.010 1.859 6.308 1.00 54.21 H new ATOM 0 HB THR A 74 -2.451 -0.351 8.329 1.00 32.53 H new ATOM 0 HG1 THR A 74 -3.868 -1.085 6.700 1.00 62.21 H new ATOM 0 HG21 THR A 74 -4.236 0.709 9.675 1.00 3.20 H new ATOM 0 HG22 THR A 74 -2.859 1.807 9.422 1.00 3.20 H new ATOM 0 HG23 THR A 74 -4.352 2.020 8.477 1.00 3.20 H new ATOM 1181 N GLU A 75 -0.129 1.125 7.797 1.00 52.41 N ATOM 1182 CA GLU A 75 1.065 1.705 8.419 1.00 13.43 C ATOM 1183 C GLU A 75 1.679 2.811 7.539 1.00 72.54 C ATOM 1184 O GLU A 75 2.082 3.862 8.042 1.00 32.23 O ATOM 1185 CB GLU A 75 2.102 0.605 8.708 1.00 22.50 C ATOM 1186 CG GLU A 75 1.617 -0.450 9.702 1.00 72.45 C ATOM 1187 CD GLU A 75 2.651 -1.534 9.979 1.00 31.54 C ATOM 1188 OE1 GLU A 75 3.600 -1.272 10.748 1.00 32.13 O ATOM 1189 OE2 GLU A 75 2.512 -2.654 9.440 1.00 31.42 O ATOM 0 H GLU A 75 -0.076 0.118 7.645 1.00 52.41 H new ATOM 0 HA GLU A 75 0.764 2.163 9.361 1.00 13.43 H new ATOM 0 HB2 GLU A 75 2.369 0.114 7.772 1.00 22.50 H new ATOM 0 HB3 GLU A 75 3.010 1.067 9.096 1.00 22.50 H new ATOM 0 HG2 GLU A 75 1.352 0.038 10.640 1.00 72.45 H new ATOM 0 HG3 GLU A 75 0.709 -0.913 9.316 1.00 72.45 H new ATOM 1196 N VAL A 76 1.738 2.572 6.226 1.00 50.24 N ATOM 1197 CA VAL A 76 2.228 3.582 5.275 1.00 15.41 C ATOM 1198 C VAL A 76 1.294 4.807 5.220 1.00 51.35 C ATOM 1199 O VAL A 76 1.753 5.950 5.207 1.00 2.35 O ATOM 1200 CB VAL A 76 2.380 2.999 3.845 1.00 0.43 C ATOM 1201 CG1 VAL A 76 2.846 4.075 2.862 1.00 75.41 C ATOM 1202 CG2 VAL A 76 3.345 1.813 3.843 1.00 43.41 C ATOM 0 H VAL A 76 1.454 1.692 5.795 1.00 50.24 H new ATOM 0 HA VAL A 76 3.208 3.894 5.637 1.00 15.41 H new ATOM 0 HB VAL A 76 1.402 2.645 3.521 1.00 0.43 H new ATOM 0 HG11 VAL A 76 2.945 3.641 1.867 1.00 75.41 H new ATOM 0 HG12 VAL A 76 2.115 4.883 2.834 1.00 75.41 H new ATOM 0 HG13 VAL A 76 3.810 4.468 3.183 1.00 75.41 H new ATOM 0 HG21 VAL A 76 3.436 1.420 2.830 1.00 43.41 H new ATOM 0 HG22 VAL A 76 4.323 2.139 4.195 1.00 43.41 H new ATOM 0 HG23 VAL A 76 2.964 1.033 4.502 1.00 43.41 H new ATOM 1212 N ILE A 77 -0.015 4.555 5.191 1.00 34.23 N ATOM 1213 CA ILE A 77 -1.025 5.625 5.185 1.00 74.24 C ATOM 1214 C ILE A 77 -0.854 6.570 6.388 1.00 70.23 C ATOM 1215 O ILE A 77 -0.779 7.793 6.230 1.00 11.30 O ATOM 1216 CB ILE A 77 -2.459 5.027 5.188 1.00 45.12 C ATOM 1217 CG1 ILE A 77 -2.716 4.263 3.877 1.00 44.52 C ATOM 1218 CG2 ILE A 77 -3.511 6.118 5.393 1.00 52.30 C ATOM 1219 CD1 ILE A 77 -4.079 3.607 3.801 1.00 53.42 C ATOM 0 H ILE A 77 -0.407 3.614 5.171 1.00 34.23 H new ATOM 0 HA ILE A 77 -0.880 6.203 4.272 1.00 74.24 H new ATOM 0 HB ILE A 77 -2.538 4.330 6.022 1.00 45.12 H new ATOM 0 HG12 ILE A 77 -2.610 4.953 3.040 1.00 44.52 H new ATOM 0 HG13 ILE A 77 -1.949 3.498 3.759 1.00 44.52 H new ATOM 0 HG21 ILE A 77 -4.505 5.670 5.391 1.00 52.30 H new ATOM 0 HG22 ILE A 77 -3.339 6.614 6.348 1.00 52.30 H new ATOM 0 HG23 ILE A 77 -3.440 6.848 4.587 1.00 52.30 H new ATOM 0 HD11 ILE A 77 -4.181 3.090 2.847 1.00 53.42 H new ATOM 0 HD12 ILE A 77 -4.184 2.890 4.616 1.00 53.42 H new ATOM 0 HD13 ILE A 77 -4.854 4.368 3.886 1.00 53.42 H new ATOM 1231 N ASN A 78 -0.775 5.996 7.588 1.00 0.23 N ATOM 1232 CA ASN A 78 -0.562 6.784 8.809 1.00 55.12 C ATOM 1233 C ASN A 78 0.830 7.438 8.818 1.00 71.02 C ATOM 1234 O ASN A 78 1.008 8.513 9.384 1.00 22.22 O ATOM 1235 CB ASN A 78 -0.750 5.912 10.056 1.00 42.42 C ATOM 1236 CG ASN A 78 -2.197 5.480 10.236 1.00 64.41 C ATOM 1237 OD1 ASN A 78 -2.995 6.181 10.847 1.00 33.23 O ATOM 1238 ND2 ASN A 78 -2.550 4.325 9.715 1.00 55.54 N ATOM 0 H ASN A 78 -0.855 4.991 7.744 1.00 0.23 H new ATOM 0 HA ASN A 78 -1.307 7.579 8.823 1.00 55.12 H new ATOM 0 HB2 ASN A 78 -0.115 5.029 9.980 1.00 42.42 H new ATOM 0 HB3 ASN A 78 -0.424 6.465 10.937 1.00 42.42 H new ATOM 0 HD21 ASN A 78 -3.509 3.992 9.815 1.00 55.54 H new ATOM 0 HD22 ASN A 78 -1.865 3.762 9.211 1.00 55.54 H new ATOM 1245 N PHE A 79 1.804 6.790 8.179 1.00 13.12 N ATOM 1246 CA PHE A 79 3.164 7.339 8.060 1.00 23.40 C ATOM 1247 C PHE A 79 3.172 8.620 7.204 1.00 72.31 C ATOM 1248 O PHE A 79 3.757 9.633 7.587 1.00 33.13 O ATOM 1249 CB PHE A 79 4.099 6.282 7.455 1.00 25.22 C ATOM 1250 CG PHE A 79 5.547 6.702 7.360 1.00 63.52 C ATOM 1251 CD1 PHE A 79 6.314 6.853 8.507 1.00 22.03 C ATOM 1252 CD2 PHE A 79 6.144 6.937 6.127 1.00 51.43 C ATOM 1253 CE1 PHE A 79 7.640 7.232 8.427 1.00 12.20 C ATOM 1254 CE2 PHE A 79 7.471 7.313 6.043 1.00 22.51 C ATOM 1255 CZ PHE A 79 8.219 7.462 7.196 1.00 75.43 C ATOM 0 H PHE A 79 1.680 5.881 7.733 1.00 13.12 H new ATOM 0 HA PHE A 79 3.520 7.603 9.056 1.00 23.40 H new ATOM 0 HB2 PHE A 79 4.036 5.375 8.056 1.00 25.22 H new ATOM 0 HB3 PHE A 79 3.742 6.029 6.457 1.00 25.22 H new ATOM 0 HD1 PHE A 79 5.869 6.672 9.474 1.00 22.03 H new ATOM 0 HD2 PHE A 79 5.563 6.824 5.223 1.00 51.43 H new ATOM 0 HE1 PHE A 79 8.224 7.348 9.328 1.00 12.20 H new ATOM 0 HE2 PHE A 79 7.923 7.490 5.078 1.00 22.51 H new ATOM 0 HZ PHE A 79 9.256 7.758 7.133 1.00 75.43 H new ATOM 1265 N TRP A 80 2.513 8.559 6.048 1.00 10.41 N ATOM 1266 CA TRP A 80 2.362 9.726 5.164 1.00 62.41 C ATOM 1267 C TRP A 80 1.694 10.891 5.909 1.00 1.00 C ATOM 1268 O TRP A 80 2.152 12.035 5.850 1.00 35.34 O ATOM 1269 CB TRP A 80 1.534 9.324 3.931 1.00 14.43 C ATOM 1270 CG TRP A 80 1.336 10.422 2.919 1.00 53.44 C ATOM 1271 CD1 TRP A 80 2.249 10.873 2.005 1.00 21.01 C ATOM 1272 CD2 TRP A 80 0.142 11.185 2.698 1.00 40.42 C ATOM 1273 NE1 TRP A 80 1.699 11.873 1.240 1.00 71.32 N ATOM 1274 CE2 TRP A 80 0.407 12.082 1.644 1.00 21.01 C ATOM 1275 CE3 TRP A 80 -1.126 11.199 3.292 1.00 45.02 C ATOM 1276 CZ2 TRP A 80 -0.549 12.977 1.169 1.00 73.55 C ATOM 1277 CZ3 TRP A 80 -2.073 12.089 2.819 1.00 41.45 C ATOM 1278 CH2 TRP A 80 -1.779 12.967 1.767 1.00 52.54 C ATOM 0 H TRP A 80 2.071 7.710 5.695 1.00 10.41 H new ATOM 0 HA TRP A 80 3.348 10.061 4.842 1.00 62.41 H new ATOM 0 HB2 TRP A 80 2.022 8.481 3.442 1.00 14.43 H new ATOM 0 HB3 TRP A 80 0.557 8.976 4.265 1.00 14.43 H new ATOM 0 HD1 TRP A 80 3.256 10.497 1.900 1.00 21.01 H new ATOM 0 HE1 TRP A 80 2.175 12.378 0.493 1.00 71.32 H new ATOM 0 HE3 TRP A 80 -1.360 10.527 4.105 1.00 45.02 H new ATOM 0 HZ2 TRP A 80 -0.327 13.654 0.358 1.00 73.55 H new ATOM 0 HZ3 TRP A 80 -3.055 12.108 3.268 1.00 41.45 H new ATOM 0 HH2 TRP A 80 -2.540 13.651 1.421 1.00 52.54 H new ATOM 1289 N GLN A 81 0.613 10.586 6.620 1.00 2.42 N ATOM 1290 CA GLN A 81 -0.077 11.576 7.447 1.00 4.03 C ATOM 1291 C GLN A 81 0.841 12.101 8.568 1.00 21.12 C ATOM 1292 O GLN A 81 0.884 13.303 8.840 1.00 52.13 O ATOM 1293 CB GLN A 81 -1.348 10.956 8.045 1.00 5.42 C ATOM 1294 CG GLN A 81 -2.153 11.908 8.927 1.00 75.33 C ATOM 1295 CD GLN A 81 -2.584 13.170 8.199 1.00 4.14 C ATOM 1296 OE1 GLN A 81 -3.639 13.218 7.582 1.00 14.54 O ATOM 1297 NE2 GLN A 81 -1.776 14.209 8.277 1.00 50.50 N ATOM 0 H GLN A 81 0.193 9.657 6.641 1.00 2.42 H new ATOM 0 HA GLN A 81 -0.351 12.422 6.816 1.00 4.03 H new ATOM 0 HB2 GLN A 81 -1.985 10.605 7.233 1.00 5.42 H new ATOM 0 HB3 GLN A 81 -1.070 10.081 8.633 1.00 5.42 H new ATOM 0 HG2 GLN A 81 -3.037 11.390 9.299 1.00 75.33 H new ATOM 0 HG3 GLN A 81 -1.555 12.183 9.796 1.00 75.33 H new ATOM 0 HE21 GLN A 81 -0.903 14.138 8.799 1.00 50.50 H new ATOM 0 HE22 GLN A 81 -2.024 15.084 7.815 1.00 50.50 H new ATOM 1306 N ASP A 82 1.580 11.192 9.201 1.00 11.30 N ATOM 1307 CA ASP A 82 2.516 11.541 10.275 1.00 65.42 C ATOM 1308 C ASP A 82 3.572 12.552 9.798 1.00 71.33 C ATOM 1309 O ASP A 82 3.856 13.541 10.479 1.00 24.00 O ATOM 1310 CB ASP A 82 3.196 10.270 10.800 1.00 71.11 C ATOM 1311 CG ASP A 82 4.200 10.546 11.901 1.00 12.31 C ATOM 1312 OD1 ASP A 82 3.791 10.999 12.988 1.00 70.23 O ATOM 1313 OD2 ASP A 82 5.408 10.316 11.687 1.00 61.20 O ATOM 0 H ASP A 82 1.549 10.195 8.987 1.00 11.30 H new ATOM 0 HA ASP A 82 1.951 12.011 11.080 1.00 65.42 H new ATOM 0 HB2 ASP A 82 2.435 9.585 11.174 1.00 71.11 H new ATOM 0 HB3 ASP A 82 3.700 9.767 9.975 1.00 71.11 H new ATOM 1318 N LEU A 83 4.144 12.301 8.622 1.00 70.24 N ATOM 1319 CA LEU A 83 5.152 13.198 8.049 1.00 24.45 C ATOM 1320 C LEU A 83 4.569 14.586 7.744 1.00 5.31 C ATOM 1321 O LEU A 83 5.255 15.592 7.894 1.00 1.30 O ATOM 1322 CB LEU A 83 5.767 12.591 6.782 1.00 41.34 C ATOM 1323 CG LEU A 83 6.501 11.252 6.982 1.00 32.33 C ATOM 1324 CD1 LEU A 83 7.250 10.856 5.715 1.00 21.53 C ATOM 1325 CD2 LEU A 83 7.452 11.313 8.176 1.00 3.34 C ATOM 0 H LEU A 83 3.929 11.487 8.047 1.00 70.24 H new ATOM 0 HA LEU A 83 5.937 13.321 8.796 1.00 24.45 H new ATOM 0 HB2 LEU A 83 4.975 12.446 6.047 1.00 41.34 H new ATOM 0 HB3 LEU A 83 6.467 13.310 6.358 1.00 41.34 H new ATOM 0 HG LEU A 83 5.752 10.489 7.193 1.00 32.33 H new ATOM 0 HD11 LEU A 83 7.762 9.907 5.876 1.00 21.53 H new ATOM 0 HD12 LEU A 83 6.543 10.751 4.892 1.00 21.53 H new ATOM 0 HD13 LEU A 83 7.981 11.626 5.469 1.00 21.53 H new ATOM 0 HD21 LEU A 83 7.955 10.353 8.290 1.00 3.34 H new ATOM 0 HD22 LEU A 83 8.194 12.094 8.010 1.00 3.34 H new ATOM 0 HD23 LEU A 83 6.886 11.536 9.081 1.00 3.34 H new ATOM 1337 N LYS A 84 3.304 14.643 7.322 1.00 55.42 N ATOM 1338 CA LYS A 84 2.635 15.931 7.090 1.00 23.30 C ATOM 1339 C LYS A 84 2.405 16.678 8.415 1.00 43.13 C ATOM 1340 O LYS A 84 2.606 17.888 8.497 1.00 33.54 O ATOM 1341 CB LYS A 84 1.297 15.736 6.365 1.00 44.42 C ATOM 1342 CG LYS A 84 1.425 15.068 4.998 1.00 0.33 C ATOM 1343 CD LYS A 84 0.081 14.971 4.270 1.00 20.21 C ATOM 1344 CE LYS A 84 -0.312 16.273 3.567 1.00 1.24 C ATOM 1345 NZ LYS A 84 -0.478 17.417 4.508 1.00 40.54 N ATOM 0 H LYS A 84 2.725 13.824 7.135 1.00 55.42 H new ATOM 0 HA LYS A 84 3.290 16.530 6.458 1.00 23.30 H new ATOM 0 HB2 LYS A 84 0.640 15.134 6.992 1.00 44.42 H new ATOM 0 HB3 LYS A 84 0.818 16.707 6.240 1.00 44.42 H new ATOM 0 HG2 LYS A 84 2.128 15.632 4.385 1.00 0.33 H new ATOM 0 HG3 LYS A 84 1.841 14.068 5.122 1.00 0.33 H new ATOM 0 HD2 LYS A 84 0.129 14.168 3.535 1.00 20.21 H new ATOM 0 HD3 LYS A 84 -0.696 14.702 4.986 1.00 20.21 H new ATOM 0 HE2 LYS A 84 0.449 16.525 2.829 1.00 1.24 H new ATOM 0 HE3 LYS A 84 -1.244 16.119 3.024 1.00 1.24 H new ATOM 0 HZ1 LYS A 84 -1.149 18.102 4.106 1.00 40.54 H new ATOM 0 HZ2 LYS A 84 -0.842 17.068 5.418 1.00 40.54 H new ATOM 0 HZ3 LYS A 84 0.441 17.880 4.658 1.00 40.54 H new ATOM 1359 N ASN A 85 1.991 15.943 9.451 1.00 24.13 N ATOM 1360 CA ASN A 85 1.789 16.526 10.786 1.00 2.00 C ATOM 1361 C ASN A 85 3.101 17.108 11.331 1.00 23.24 C ATOM 1362 O ASN A 85 3.148 18.244 11.806 1.00 35.10 O ATOM 1363 CB ASN A 85 1.252 15.467 11.761 1.00 42.22 C ATOM 1364 CG ASN A 85 -0.043 14.833 11.292 1.00 32.30 C ATOM 1365 OD1 ASN A 85 -0.841 15.449 10.595 1.00 11.12 O ATOM 1366 ND2 ASN A 85 -0.263 13.590 11.670 1.00 74.11 N ATOM 0 H ASN A 85 1.789 14.945 9.394 1.00 24.13 H new ATOM 0 HA ASN A 85 1.058 17.330 10.693 1.00 2.00 H new ATOM 0 HB2 ASN A 85 2.004 14.689 11.894 1.00 42.22 H new ATOM 0 HB3 ASN A 85 1.093 15.927 12.736 1.00 42.22 H new ATOM 0 HD21 ASN A 85 -1.118 13.113 11.382 1.00 74.11 H new ATOM 0 HD22 ASN A 85 0.421 13.105 12.250 1.00 74.11 H new ATOM 1373 N GLN A 86 4.169 16.316 11.254 1.00 41.20 N ATOM 1374 CA GLN A 86 5.496 16.750 11.707 1.00 13.21 C ATOM 1375 C GLN A 86 6.247 17.527 10.612 1.00 75.40 C ATOM 1376 O GLN A 86 7.393 17.933 10.806 1.00 73.42 O ATOM 1377 CB GLN A 86 6.323 15.536 12.151 1.00 0.34 C ATOM 1378 CG GLN A 86 5.759 14.821 13.374 1.00 60.42 C ATOM 1379 CD GLN A 86 6.605 13.631 13.794 1.00 33.44 C ATOM 1380 OE1 GLN A 86 6.278 12.462 13.290 1.00 52.20 O flip ATOM 1381 NE2 GLN A 86 7.548 13.761 14.569 1.00 32.52 N flip ATOM 0 H GLN A 86 4.144 15.367 10.881 1.00 41.20 H new ATOM 0 HA GLN A 86 5.354 17.423 12.553 1.00 13.21 H new ATOM 0 HB2 GLN A 86 6.385 14.828 11.324 1.00 0.34 H new ATOM 0 HB3 GLN A 86 7.340 15.861 12.369 1.00 0.34 H new ATOM 0 HG2 GLN A 86 5.691 15.525 14.203 1.00 60.42 H new ATOM 0 HG3 GLN A 86 4.745 14.484 13.158 1.00 60.42 H new ATOM 0 HE21 GLN A 86 7.777 14.682 14.943 1.00 32.52 H new ATOM 0 HE22 GLN A 86 8.102 12.948 14.839 1.00 32.52 H new ATOM 1390 N ASN A 87 5.594 17.721 9.465 1.00 33.34 N ATOM 1391 CA ASN A 87 6.157 18.494 8.346 1.00 61.21 C ATOM 1392 C ASN A 87 7.507 17.923 7.859 1.00 62.44 C ATOM 1393 O ASN A 87 8.308 18.629 7.242 1.00 43.33 O ATOM 1394 CB ASN A 87 6.303 19.964 8.756 1.00 52.32 C ATOM 1395 CG ASN A 87 5.005 20.529 9.305 1.00 62.44 C ATOM 1396 OD1 ASN A 87 4.776 20.542 10.510 1.00 52.24 O ATOM 1397 ND2 ASN A 87 4.133 20.971 8.425 1.00 32.24 N ATOM 0 H ASN A 87 4.662 17.350 9.281 1.00 33.34 H new ATOM 0 HA ASN A 87 5.466 18.419 7.507 1.00 61.21 H new ATOM 0 HB2 ASN A 87 7.086 20.055 9.509 1.00 52.32 H new ATOM 0 HB3 ASN A 87 6.619 20.552 7.894 1.00 52.32 H new ATOM 0 HD21 ASN A 87 3.235 21.339 8.738 1.00 32.24 H new ATOM 0 HD22 ASN A 87 4.355 20.946 7.430 1.00 32.24 H new ATOM 1404 N LYS A 88 7.727 16.633 8.103 1.00 53.24 N ATOM 1405 CA LYS A 88 8.981 15.966 7.733 1.00 33.45 C ATOM 1406 C LYS A 88 9.052 15.655 6.232 1.00 22.42 C ATOM 1407 O LYS A 88 8.457 14.684 5.761 1.00 54.11 O ATOM 1408 CB LYS A 88 9.145 14.652 8.510 1.00 10.41 C ATOM 1409 CG LYS A 88 9.343 14.809 10.014 1.00 60.02 C ATOM 1410 CD LYS A 88 9.579 13.449 10.673 1.00 4.14 C ATOM 1411 CE LYS A 88 9.856 13.564 12.165 1.00 22.15 C ATOM 1412 NZ LYS A 88 10.142 12.236 12.769 1.00 22.52 N ATOM 0 H LYS A 88 7.050 16.022 8.559 1.00 53.24 H new ATOM 0 HA LYS A 88 9.784 16.658 7.985 1.00 33.45 H new ATOM 0 HB2 LYS A 88 8.264 14.034 8.338 1.00 10.41 H new ATOM 0 HB3 LYS A 88 9.998 14.111 8.102 1.00 10.41 H new ATOM 0 HG2 LYS A 88 10.192 15.465 10.208 1.00 60.02 H new ATOM 0 HG3 LYS A 88 8.466 15.284 10.454 1.00 60.02 H new ATOM 0 HD2 LYS A 88 8.705 12.817 10.517 1.00 4.14 H new ATOM 0 HD3 LYS A 88 10.421 12.955 10.188 1.00 4.14 H new ATOM 0 HE2 LYS A 88 10.703 14.230 12.329 1.00 22.15 H new ATOM 0 HE3 LYS A 88 8.997 14.014 12.662 1.00 22.15 H new ATOM 0 HZ1 LYS A 88 10.326 12.350 13.786 1.00 22.52 H new ATOM 0 HZ2 LYS A 88 9.323 11.609 12.633 1.00 22.52 H new ATOM 0 HZ3 LYS A 88 10.977 11.819 12.310 1.00 22.52 H new ATOM 1426 N GLN A 89 9.781 16.470 5.482 1.00 44.34 N ATOM 1427 CA GLN A 89 10.088 16.145 4.088 1.00 34.15 C ATOM 1428 C GLN A 89 11.371 15.306 4.012 1.00 32.24 C ATOM 1429 O GLN A 89 12.381 15.728 3.442 1.00 23.33 O ATOM 1430 CB GLN A 89 10.220 17.417 3.238 1.00 41.34 C ATOM 1431 CG GLN A 89 8.917 18.201 3.098 1.00 1.42 C ATOM 1432 CD GLN A 89 9.039 19.384 2.147 1.00 1.23 C ATOM 1433 OE1 GLN A 89 10.101 19.982 2.007 1.00 31.33 O ATOM 1434 NE2 GLN A 89 7.952 19.730 1.489 1.00 0.42 N ATOM 0 H GLN A 89 10.170 17.355 5.808 1.00 44.34 H new ATOM 0 HA GLN A 89 9.262 15.561 3.683 1.00 34.15 H new ATOM 0 HB2 GLN A 89 10.976 18.064 3.683 1.00 41.34 H new ATOM 0 HB3 GLN A 89 10.578 17.144 2.245 1.00 41.34 H new ATOM 0 HG2 GLN A 89 8.133 17.533 2.741 1.00 1.42 H new ATOM 0 HG3 GLN A 89 8.607 18.560 4.079 1.00 1.42 H new ATOM 0 HE21 GLN A 89 7.085 19.212 1.628 1.00 0.42 H new ATOM 0 HE22 GLN A 89 7.977 20.516 0.840 1.00 0.42 H new ATOM 1443 N ILE A 90 11.324 14.113 4.605 1.00 5.40 N ATOM 1444 CA ILE A 90 12.489 13.219 4.656 1.00 21.10 C ATOM 1445 C ILE A 90 12.808 12.618 3.281 1.00 24.15 C ATOM 1446 O ILE A 90 12.010 12.707 2.346 1.00 51.24 O ATOM 1447 CB ILE A 90 12.287 12.071 5.676 1.00 51.32 C ATOM 1448 CG1 ILE A 90 11.071 11.208 5.297 1.00 75.54 C ATOM 1449 CG2 ILE A 90 12.134 12.639 7.085 1.00 73.35 C ATOM 1450 CD1 ILE A 90 10.869 10.004 6.198 1.00 12.41 C ATOM 0 H ILE A 90 10.491 13.739 5.059 1.00 5.40 H new ATOM 0 HA ILE A 90 13.329 13.835 4.976 1.00 21.10 H new ATOM 0 HB ILE A 90 13.169 11.430 5.655 1.00 51.32 H new ATOM 0 HG12 ILE A 90 10.174 11.827 5.327 1.00 75.54 H new ATOM 0 HG13 ILE A 90 11.187 10.865 4.269 1.00 75.54 H new ATOM 0 HG21 ILE A 90 11.993 11.822 7.793 1.00 73.35 H new ATOM 0 HG22 ILE A 90 13.031 13.199 7.351 1.00 73.35 H new ATOM 0 HG23 ILE A 90 11.269 13.302 7.118 1.00 73.35 H new ATOM 0 HD11 ILE A 90 9.993 9.445 5.868 1.00 12.41 H new ATOM 0 HD12 ILE A 90 11.748 9.362 6.150 1.00 12.41 H new ATOM 0 HD13 ILE A 90 10.720 10.339 7.225 1.00 12.41 H new ATOM 1462 N SER A 91 13.984 12.010 3.159 1.00 22.02 N ATOM 1463 CA SER A 91 14.422 11.428 1.883 1.00 2.30 C ATOM 1464 C SER A 91 13.763 10.063 1.624 1.00 32.52 C ATOM 1465 O SER A 91 13.453 9.321 2.557 1.00 11.05 O ATOM 1466 CB SER A 91 15.954 11.285 1.857 1.00 13.41 C ATOM 1467 OG SER A 91 16.597 12.547 2.012 1.00 63.32 O ATOM 0 H SER A 91 14.653 11.905 3.922 1.00 22.02 H new ATOM 0 HA SER A 91 14.110 12.107 1.089 1.00 2.30 H new ATOM 0 HB2 SER A 91 16.272 10.613 2.654 1.00 13.41 H new ATOM 0 HB3 SER A 91 16.263 10.831 0.915 1.00 13.41 H new ATOM 0 HG SER A 91 17.569 12.423 1.993 1.00 63.32 H new ATOM 1473 N MET A 92 13.557 9.737 0.346 1.00 1.05 N ATOM 1474 CA MET A 92 12.954 8.455 -0.058 1.00 64.42 C ATOM 1475 C MET A 92 13.696 7.264 0.576 1.00 24.30 C ATOM 1476 O MET A 92 13.075 6.299 1.033 1.00 4.51 O ATOM 1477 CB MET A 92 12.947 8.354 -1.594 1.00 51.33 C ATOM 1478 CG MET A 92 12.358 7.064 -2.157 1.00 21.55 C ATOM 1479 SD MET A 92 13.467 5.647 -1.985 1.00 73.42 S ATOM 1480 CE MET A 92 12.489 4.365 -2.770 1.00 64.11 C ATOM 0 H MET A 92 13.800 10.345 -0.436 1.00 1.05 H new ATOM 0 HA MET A 92 11.926 8.419 0.303 1.00 64.42 H new ATOM 0 HB2 MET A 92 12.384 9.197 -1.995 1.00 51.33 H new ATOM 0 HB3 MET A 92 13.971 8.454 -1.954 1.00 51.33 H new ATOM 0 HG2 MET A 92 11.419 6.847 -1.648 1.00 21.55 H new ATOM 0 HG3 MET A 92 12.123 7.208 -3.211 1.00 21.55 H new ATOM 0 HE1 MET A 92 13.147 3.686 -3.313 1.00 64.11 H new ATOM 0 HE2 MET A 92 11.941 3.808 -2.010 1.00 64.11 H new ATOM 0 HE3 MET A 92 11.784 4.820 -3.465 1.00 64.11 H new ATOM 1490 N ALA A 93 15.024 7.353 0.625 1.00 51.12 N ATOM 1491 CA ALA A 93 15.847 6.331 1.286 1.00 34.42 C ATOM 1492 C ALA A 93 15.435 6.127 2.758 1.00 11.52 C ATOM 1493 O ALA A 93 15.457 5.008 3.273 1.00 54.33 O ATOM 1494 CB ALA A 93 17.321 6.711 1.199 1.00 21.03 C ATOM 0 H ALA A 93 15.557 8.121 0.216 1.00 51.12 H new ATOM 0 HA ALA A 93 15.685 5.387 0.766 1.00 34.42 H new ATOM 0 HB1 ALA A 93 17.923 5.948 1.692 1.00 21.03 H new ATOM 0 HB2 ALA A 93 17.616 6.787 0.152 1.00 21.03 H new ATOM 0 HB3 ALA A 93 17.479 7.671 1.691 1.00 21.03 H new ATOM 1500 N GLU A 94 15.053 7.214 3.426 1.00 62.43 N ATOM 1501 CA GLU A 94 14.627 7.153 4.829 1.00 4.53 C ATOM 1502 C GLU A 94 13.250 6.482 4.962 1.00 30.03 C ATOM 1503 O GLU A 94 12.982 5.777 5.935 1.00 4.14 O ATOM 1504 CB GLU A 94 14.600 8.562 5.440 1.00 23.30 C ATOM 1505 CG GLU A 94 15.922 9.312 5.284 1.00 74.45 C ATOM 1506 CD GLU A 94 15.996 10.581 6.117 1.00 10.24 C ATOM 1507 OE1 GLU A 94 16.371 10.495 7.305 1.00 5.24 O ATOM 1508 OE2 GLU A 94 15.695 11.671 5.583 1.00 43.11 O ATOM 0 H GLU A 94 15.029 8.150 3.021 1.00 62.43 H new ATOM 0 HA GLU A 94 15.349 6.547 5.376 1.00 4.53 H new ATOM 0 HB2 GLU A 94 13.804 9.140 4.969 1.00 23.30 H new ATOM 0 HB3 GLU A 94 14.355 8.487 6.500 1.00 23.30 H new ATOM 0 HG2 GLU A 94 16.742 8.652 5.567 1.00 74.45 H new ATOM 0 HG3 GLU A 94 16.066 9.566 4.234 1.00 74.45 H new ATOM 1515 N ALA A 95 12.384 6.701 3.972 1.00 21.14 N ATOM 1516 CA ALA A 95 11.091 6.006 3.912 1.00 22.21 C ATOM 1517 C ALA A 95 11.300 4.485 3.801 1.00 61.41 C ATOM 1518 O ALA A 95 10.553 3.697 4.383 1.00 34.55 O ATOM 1519 CB ALA A 95 10.266 6.523 2.738 1.00 23.14 C ATOM 0 H ALA A 95 12.550 7.350 3.203 1.00 21.14 H new ATOM 0 HA ALA A 95 10.545 6.209 4.833 1.00 22.21 H new ATOM 0 HB1 ALA A 95 9.311 5.999 2.706 1.00 23.14 H new ATOM 0 HB2 ALA A 95 10.090 7.592 2.860 1.00 23.14 H new ATOM 0 HB3 ALA A 95 10.807 6.348 1.808 1.00 23.14 H new ATOM 1525 N GLN A 96 12.334 4.087 3.054 1.00 33.44 N ATOM 1526 CA GLN A 96 12.740 2.676 2.962 1.00 12.22 C ATOM 1527 C GLN A 96 13.382 2.187 4.269 1.00 21.15 C ATOM 1528 O GLN A 96 13.397 0.992 4.550 1.00 50.43 O ATOM 1529 CB GLN A 96 13.703 2.472 1.782 1.00 42.24 C ATOM 1530 CG GLN A 96 13.018 2.532 0.421 1.00 62.32 C ATOM 1531 CD GLN A 96 12.064 1.367 0.205 1.00 70.35 C ATOM 1532 OE1 GLN A 96 12.442 0.327 -0.329 1.00 30.11 O ATOM 1533 NE2 GLN A 96 10.827 1.521 0.629 1.00 13.40 N ATOM 0 H GLN A 96 12.909 4.723 2.501 1.00 33.44 H new ATOM 0 HA GLN A 96 11.842 2.082 2.792 1.00 12.22 H new ATOM 0 HB2 GLN A 96 14.481 3.234 1.822 1.00 42.24 H new ATOM 0 HB3 GLN A 96 14.197 1.506 1.889 1.00 42.24 H new ATOM 0 HG2 GLN A 96 12.469 3.470 0.334 1.00 62.32 H new ATOM 0 HG3 GLN A 96 13.774 2.531 -0.364 1.00 62.32 H new ATOM 0 HE21 GLN A 96 10.544 2.397 1.068 1.00 13.40 H new ATOM 0 HE22 GLN A 96 10.152 0.764 0.518 1.00 13.40 H new ATOM 1542 N GLY A 97 13.925 3.115 5.055 1.00 32.41 N ATOM 1543 CA GLY A 97 14.423 2.770 6.383 1.00 32.41 C ATOM 1544 C GLY A 97 13.297 2.354 7.330 1.00 63.31 C ATOM 1545 O GLY A 97 13.487 1.523 8.221 1.00 1.30 O ATOM 0 H GLY A 97 14.030 4.097 4.800 1.00 32.41 H new ATOM 0 HA2 GLY A 97 15.144 1.957 6.299 1.00 32.41 H new ATOM 0 HA3 GLY A 97 14.953 3.624 6.804 1.00 32.41 H new ATOM 1549 N LYS A 98 12.118 2.944 7.136 1.00 42.33 N ATOM 1550 CA LYS A 98 10.929 2.588 7.919 1.00 72.22 C ATOM 1551 C LYS A 98 10.168 1.407 7.286 1.00 1.35 C ATOM 1552 O LYS A 98 9.671 0.529 7.996 1.00 54.14 O ATOM 1553 CB LYS A 98 10.008 3.813 8.065 1.00 5.22 C ATOM 1554 CG LYS A 98 8.625 3.509 8.650 1.00 42.14 C ATOM 1555 CD LYS A 98 8.694 2.825 10.017 1.00 53.33 C ATOM 1556 CE LYS A 98 7.305 2.435 10.515 1.00 51.50 C ATOM 1557 NZ LYS A 98 7.365 1.628 11.763 1.00 14.10 N ATOM 0 H LYS A 98 11.958 3.674 6.441 1.00 42.33 H new ATOM 0 HA LYS A 98 11.257 2.271 8.909 1.00 72.22 H new ATOM 0 HB2 LYS A 98 10.502 4.548 8.700 1.00 5.22 H new ATOM 0 HB3 LYS A 98 9.880 4.273 7.085 1.00 5.22 H new ATOM 0 HG2 LYS A 98 8.063 4.438 8.742 1.00 42.14 H new ATOM 0 HG3 LYS A 98 8.075 2.871 7.958 1.00 42.14 H new ATOM 0 HD2 LYS A 98 9.321 1.936 9.949 1.00 53.33 H new ATOM 0 HD3 LYS A 98 9.166 3.494 10.737 1.00 53.33 H new ATOM 0 HE2 LYS A 98 6.718 3.336 10.694 1.00 51.50 H new ATOM 0 HE3 LYS A 98 6.789 1.867 9.741 1.00 51.50 H new ATOM 0 HZ1 LYS A 98 6.400 1.385 12.066 1.00 14.10 H new ATOM 0 HZ2 LYS A 98 7.903 0.755 11.587 1.00 14.10 H new ATOM 0 HZ3 LYS A 98 7.834 2.179 12.510 1.00 14.10 H new ATOM 1571 N PHE A 99 10.088 1.374 5.955 1.00 25.30 N ATOM 1572 CA PHE A 99 9.397 0.284 5.248 1.00 5.52 C ATOM 1573 C PHE A 99 10.290 -0.392 4.188 1.00 14.04 C ATOM 1574 O PHE A 99 10.031 -0.281 2.988 1.00 34.20 O ATOM 1575 CB PHE A 99 8.116 0.802 4.578 1.00 41.42 C ATOM 1576 CG PHE A 99 7.076 1.322 5.538 1.00 35.14 C ATOM 1577 CD1 PHE A 99 6.349 0.447 6.332 1.00 31.11 C ATOM 1578 CD2 PHE A 99 6.823 2.682 5.641 1.00 15.31 C ATOM 1579 CE1 PHE A 99 5.394 0.919 7.209 1.00 54.23 C ATOM 1580 CE2 PHE A 99 5.867 3.156 6.516 1.00 40.42 C ATOM 1581 CZ PHE A 99 5.152 2.275 7.301 1.00 24.21 C ATOM 0 H PHE A 99 10.490 2.084 5.343 1.00 25.30 H new ATOM 0 HA PHE A 99 9.146 -0.464 6.000 1.00 5.52 H new ATOM 0 HB2 PHE A 99 8.381 1.598 3.883 1.00 41.42 H new ATOM 0 HB3 PHE A 99 7.678 -0.003 3.988 1.00 41.42 H new ATOM 0 HD1 PHE A 99 6.532 -0.615 6.263 1.00 31.11 H new ATOM 0 HD2 PHE A 99 7.380 3.377 5.030 1.00 15.31 H new ATOM 0 HE1 PHE A 99 4.836 0.228 7.823 1.00 54.23 H new ATOM 0 HE2 PHE A 99 5.678 4.217 6.586 1.00 40.42 H new ATOM 0 HZ PHE A 99 4.404 2.646 7.986 1.00 24.21 H new ATOM 1591 N PRO A 100 11.343 -1.123 4.606 1.00 31.43 N ATOM 1592 CA PRO A 100 12.223 -1.844 3.667 1.00 20.21 C ATOM 1593 C PRO A 100 11.489 -2.989 2.947 1.00 41.45 C ATOM 1594 O PRO A 100 11.910 -3.449 1.883 1.00 74.22 O ATOM 1595 CB PRO A 100 13.343 -2.389 4.572 1.00 23.20 C ATOM 1596 CG PRO A 100 12.732 -2.457 5.933 1.00 42.53 C ATOM 1597 CD PRO A 100 11.766 -1.305 6.010 1.00 13.44 C ATOM 0 HA PRO A 100 12.589 -1.200 2.867 1.00 20.21 H new ATOM 0 HB2 PRO A 100 13.678 -3.371 4.239 1.00 23.20 H new ATOM 0 HB3 PRO A 100 14.214 -1.734 4.561 1.00 23.20 H new ATOM 0 HG2 PRO A 100 12.220 -3.407 6.084 1.00 42.53 H new ATOM 0 HG3 PRO A 100 13.495 -2.380 6.708 1.00 42.53 H new ATOM 0 HD2 PRO A 100 10.920 -1.532 6.659 1.00 13.44 H new ATOM 0 HD3 PRO A 100 12.241 -0.408 6.407 1.00 13.44 H new ATOM 1605 N GLU A 101 10.381 -3.429 3.540 1.00 10.43 N ATOM 1606 CA GLU A 101 9.561 -4.508 2.983 1.00 71.20 C ATOM 1607 C GLU A 101 8.612 -3.978 1.897 1.00 45.10 C ATOM 1608 O GLU A 101 8.253 -4.701 0.964 1.00 22.31 O ATOM 1609 CB GLU A 101 8.743 -5.159 4.105 1.00 4.34 C ATOM 1610 CG GLU A 101 9.576 -5.555 5.323 1.00 24.11 C ATOM 1611 CD GLU A 101 8.722 -5.888 6.534 1.00 54.31 C ATOM 1612 OE1 GLU A 101 8.024 -4.984 7.040 1.00 64.53 O ATOM 1613 OE2 GLU A 101 8.741 -7.050 6.987 1.00 14.30 O ATOM 0 H GLU A 101 10.025 -3.050 4.418 1.00 10.43 H new ATOM 0 HA GLU A 101 10.224 -5.244 2.529 1.00 71.20 H new ATOM 0 HB2 GLU A 101 7.961 -4.468 4.420 1.00 4.34 H new ATOM 0 HB3 GLU A 101 8.246 -6.046 3.712 1.00 4.34 H new ATOM 0 HG2 GLU A 101 10.194 -6.417 5.071 1.00 24.11 H new ATOM 0 HG3 GLU A 101 10.254 -4.740 5.575 1.00 24.11 H new ATOM 1620 N VAL A 102 8.215 -2.712 2.024 1.00 4.35 N ATOM 1621 CA VAL A 102 7.251 -2.097 1.106 1.00 42.30 C ATOM 1622 C VAL A 102 7.970 -1.300 0.007 1.00 31.45 C ATOM 1623 O VAL A 102 8.833 -0.468 0.292 1.00 13.10 O ATOM 1624 CB VAL A 102 6.274 -1.161 1.865 1.00 65.32 C ATOM 1625 CG1 VAL A 102 5.246 -0.551 0.913 1.00 71.00 C ATOM 1626 CG2 VAL A 102 5.581 -1.908 3.006 1.00 61.13 C ATOM 0 H VAL A 102 8.548 -2.087 2.758 1.00 4.35 H new ATOM 0 HA VAL A 102 6.681 -2.905 0.646 1.00 42.30 H new ATOM 0 HB VAL A 102 6.857 -0.347 2.296 1.00 65.32 H new ATOM 0 HG11 VAL A 102 4.574 0.100 1.472 1.00 71.00 H new ATOM 0 HG12 VAL A 102 5.759 0.029 0.146 1.00 71.00 H new ATOM 0 HG13 VAL A 102 4.670 -1.347 0.441 1.00 71.00 H new ATOM 0 HG21 VAL A 102 4.901 -1.231 3.524 1.00 61.13 H new ATOM 0 HG22 VAL A 102 5.018 -2.749 2.601 1.00 61.13 H new ATOM 0 HG23 VAL A 102 6.330 -2.277 3.707 1.00 61.13 H new ATOM 1636 N VAL A 103 7.612 -1.546 -1.249 1.00 21.43 N ATOM 1637 CA VAL A 103 8.301 -0.906 -2.371 1.00 73.10 C ATOM 1638 C VAL A 103 7.726 0.487 -2.676 1.00 2.12 C ATOM 1639 O VAL A 103 6.659 0.621 -3.276 1.00 12.03 O ATOM 1640 CB VAL A 103 8.232 -1.782 -3.648 1.00 52.20 C ATOM 1641 CG1 VAL A 103 8.976 -1.123 -4.810 1.00 32.51 C ATOM 1642 CG2 VAL A 103 8.782 -3.181 -3.374 1.00 43.11 C ATOM 0 H VAL A 103 6.857 -2.177 -1.517 1.00 21.43 H new ATOM 0 HA VAL A 103 9.343 -0.793 -2.071 1.00 73.10 H new ATOM 0 HB VAL A 103 7.184 -1.877 -3.934 1.00 52.20 H new ATOM 0 HG11 VAL A 103 8.911 -1.760 -5.692 1.00 32.51 H new ATOM 0 HG12 VAL A 103 8.526 -0.154 -5.028 1.00 32.51 H new ATOM 0 HG13 VAL A 103 10.023 -0.984 -4.540 1.00 32.51 H new ATOM 0 HG21 VAL A 103 8.724 -3.779 -4.283 1.00 43.11 H new ATOM 0 HG22 VAL A 103 9.821 -3.107 -3.054 1.00 43.11 H new ATOM 0 HG23 VAL A 103 8.193 -3.656 -2.589 1.00 43.11 H new ATOM 1652 N PHE A 104 8.441 1.522 -2.254 1.00 41.34 N ATOM 1653 CA PHE A 104 8.089 2.902 -2.603 1.00 43.24 C ATOM 1654 C PHE A 104 8.639 3.254 -3.989 1.00 4.44 C ATOM 1655 O PHE A 104 9.754 2.860 -4.337 1.00 25.41 O ATOM 1656 CB PHE A 104 8.635 3.882 -1.553 1.00 61.01 C ATOM 1657 CG PHE A 104 7.909 3.828 -0.228 1.00 2.23 C ATOM 1658 CD1 PHE A 104 7.922 2.674 0.542 1.00 15.04 C ATOM 1659 CD2 PHE A 104 7.214 4.934 0.249 1.00 65.02 C ATOM 1660 CE1 PHE A 104 7.262 2.624 1.752 1.00 74.43 C ATOM 1661 CE2 PHE A 104 6.551 4.885 1.461 1.00 73.01 C ATOM 1662 CZ PHE A 104 6.575 3.728 2.211 1.00 13.32 C ATOM 0 H PHE A 104 9.271 1.437 -1.668 1.00 41.34 H new ATOM 0 HA PHE A 104 7.002 2.986 -2.622 1.00 43.24 H new ATOM 0 HB2 PHE A 104 9.691 3.669 -1.386 1.00 61.01 H new ATOM 0 HB3 PHE A 104 8.573 4.896 -1.949 1.00 61.01 H new ATOM 0 HD1 PHE A 104 8.456 1.804 0.189 1.00 15.04 H new ATOM 0 HD2 PHE A 104 7.192 5.842 -0.335 1.00 65.02 H new ATOM 0 HE1 PHE A 104 7.283 1.719 2.341 1.00 74.43 H new ATOM 0 HE2 PHE A 104 6.015 5.751 1.820 1.00 73.01 H new ATOM 0 HZ PHE A 104 6.056 3.687 3.157 1.00 13.32 H new ATOM 1672 N SER A 105 7.860 3.994 -4.777 1.00 51.41 N ATOM 1673 CA SER A 105 8.274 4.366 -6.137 1.00 14.22 C ATOM 1674 C SER A 105 9.650 5.044 -6.131 1.00 2.30 C ATOM 1675 O SER A 105 9.800 6.167 -5.644 1.00 70.21 O ATOM 1676 CB SER A 105 7.245 5.308 -6.779 1.00 14.22 C ATOM 1677 OG SER A 105 7.651 5.697 -8.086 1.00 63.31 O ATOM 0 H SER A 105 6.943 4.348 -4.503 1.00 51.41 H new ATOM 0 HA SER A 105 8.337 3.448 -6.722 1.00 14.22 H new ATOM 0 HB2 SER A 105 6.275 4.813 -6.829 1.00 14.22 H new ATOM 0 HB3 SER A 105 7.119 6.193 -6.156 1.00 14.22 H new ATOM 0 HG SER A 105 6.978 6.295 -8.473 1.00 63.31 H new ATOM 1683 N GLY A 106 10.647 4.361 -6.687 1.00 14.24 N ATOM 1684 CA GLY A 106 12.007 4.885 -6.698 1.00 13.44 C ATOM 1685 C GLY A 106 12.618 4.930 -8.091 1.00 5.31 C ATOM 1686 O GLY A 106 11.957 5.314 -9.056 1.00 3.22 O ATOM 0 H GLY A 106 10.539 3.450 -7.133 1.00 14.24 H new ATOM 0 HA2 GLY A 106 12.006 5.890 -6.275 1.00 13.44 H new ATOM 0 HA3 GLY A 106 12.633 4.268 -6.053 1.00 13.44 H new ATOM 1690 N SER A 107 13.878 4.524 -8.195 1.00 23.30 N ATOM 1691 CA SER A 107 14.618 4.567 -9.462 1.00 23.34 C ATOM 1692 C SER A 107 15.447 3.287 -9.663 1.00 35.34 C ATOM 1693 O SER A 107 15.136 2.243 -9.086 1.00 24.15 O ATOM 1694 CB SER A 107 15.528 5.803 -9.479 1.00 33.30 C ATOM 1695 OG SER A 107 16.376 5.830 -8.339 1.00 44.51 O ATOM 0 H SER A 107 14.418 4.157 -7.411 1.00 23.30 H new ATOM 0 HA SER A 107 13.904 4.631 -10.283 1.00 23.34 H new ATOM 0 HB2 SER A 107 16.133 5.801 -10.386 1.00 33.30 H new ATOM 0 HB3 SER A 107 14.919 6.707 -9.504 1.00 33.30 H new ATOM 0 HG SER A 107 16.947 6.626 -8.375 1.00 44.51 H new ATOM 1701 N ASN A 108 16.481 3.367 -10.500 1.00 32.12 N ATOM 1702 CA ASN A 108 17.365 2.225 -10.783 1.00 75.14 C ATOM 1703 C ASN A 108 17.913 1.556 -9.501 1.00 54.54 C ATOM 1704 O ASN A 108 18.736 2.137 -8.790 1.00 41.13 O ATOM 1705 CB ASN A 108 18.528 2.687 -11.676 1.00 70.40 C ATOM 1706 CG ASN A 108 19.146 3.996 -11.200 1.00 4.41 C ATOM 1707 OD1 ASN A 108 18.752 5.075 -11.629 1.00 34.30 O ATOM 1708 ND2 ASN A 108 20.102 3.917 -10.297 1.00 64.11 N ATOM 0 H ASN A 108 16.733 4.219 -11.001 1.00 32.12 H new ATOM 0 HA ASN A 108 16.768 1.472 -11.298 1.00 75.14 H new ATOM 0 HB2 ASN A 108 19.295 1.913 -11.697 1.00 70.40 H new ATOM 0 HB3 ASN A 108 18.170 2.809 -12.698 1.00 70.40 H new ATOM 0 HD21 ASN A 108 20.535 4.767 -9.937 1.00 64.11 H new ATOM 0 HD22 ASN A 108 20.410 3.005 -9.958 1.00 64.11 H new ATOM 1715 N LEU A 109 17.449 0.327 -9.225 1.00 74.35 N ATOM 1716 CA LEU A 109 17.910 -0.463 -8.065 1.00 2.11 C ATOM 1717 C LEU A 109 17.732 0.299 -6.737 1.00 61.53 C ATOM 1718 O LEU A 109 17.025 1.309 -6.665 1.00 64.23 O ATOM 1719 CB LEU A 109 19.392 -0.875 -8.224 1.00 12.34 C ATOM 1720 CG LEU A 109 19.723 -1.792 -9.421 1.00 14.52 C ATOM 1721 CD1 LEU A 109 19.678 -1.027 -10.743 1.00 72.12 C ATOM 1722 CD2 LEU A 109 21.084 -2.458 -9.229 1.00 72.35 C ATOM 0 H LEU A 109 16.748 -0.148 -9.794 1.00 74.35 H new ATOM 0 HA LEU A 109 17.288 -1.357 -8.034 1.00 2.11 H new ATOM 0 HB2 LEU A 109 19.991 0.031 -8.311 1.00 12.34 H new ATOM 0 HB3 LEU A 109 19.707 -1.379 -7.310 1.00 12.34 H new ATOM 0 HG LEU A 109 18.960 -2.569 -9.463 1.00 14.52 H new ATOM 0 HD11 LEU A 109 19.916 -1.704 -11.563 1.00 72.12 H new ATOM 0 HD12 LEU A 109 18.680 -0.615 -10.891 1.00 72.12 H new ATOM 0 HD13 LEU A 109 20.406 -0.216 -10.719 1.00 72.12 H new ATOM 0 HD21 LEU A 109 21.299 -3.100 -10.083 1.00 72.35 H new ATOM 0 HD22 LEU A 109 21.856 -1.692 -9.148 1.00 72.35 H new ATOM 0 HD23 LEU A 109 21.070 -3.058 -8.319 1.00 72.35 H new ATOM 1734 N GLU A 110 18.346 -0.213 -5.673 1.00 24.43 N ATOM 1735 CA GLU A 110 18.449 0.535 -4.422 1.00 11.51 C ATOM 1736 C GLU A 110 19.400 1.725 -4.619 1.00 64.54 C ATOM 1737 O GLU A 110 20.590 1.636 -4.310 1.00 64.43 O ATOM 1738 CB GLU A 110 18.948 -0.372 -3.286 1.00 23.01 C ATOM 1739 CG GLU A 110 18.057 -1.584 -3.018 1.00 10.44 C ATOM 1740 CD GLU A 110 18.575 -2.453 -1.880 1.00 11.20 C ATOM 1741 OE1 GLU A 110 19.552 -3.198 -2.093 1.00 53.54 O ATOM 1742 OE2 GLU A 110 18.005 -2.396 -0.768 1.00 32.04 O ATOM 0 H GLU A 110 18.777 -1.137 -5.651 1.00 24.43 H new ATOM 0 HA GLU A 110 17.462 0.905 -4.145 1.00 11.51 H new ATOM 0 HB2 GLU A 110 19.953 -0.719 -3.528 1.00 23.01 H new ATOM 0 HB3 GLU A 110 19.026 0.217 -2.372 1.00 23.01 H new ATOM 0 HG2 GLU A 110 17.049 -1.244 -2.780 1.00 10.44 H new ATOM 0 HG3 GLU A 110 17.985 -2.185 -3.925 1.00 10.44 H new ATOM 1749 N HIS A 111 18.855 2.818 -5.173 1.00 10.51 N ATOM 1750 CA HIS A 111 19.634 4.001 -5.580 1.00 31.40 C ATOM 1751 C HIS A 111 20.760 4.363 -4.592 1.00 13.44 C ATOM 1752 O HIS A 111 21.866 4.723 -5.003 1.00 63.04 O ATOM 1753 CB HIS A 111 18.693 5.201 -5.779 1.00 53.54 C ATOM 1754 CG HIS A 111 17.948 5.608 -4.539 1.00 31.21 C ATOM 1755 ND1 HIS A 111 18.383 6.602 -3.694 1.00 34.10 N ATOM 1756 CD2 HIS A 111 16.787 5.152 -4.004 1.00 41.32 C ATOM 1757 CE1 HIS A 111 17.535 6.738 -2.697 1.00 2.24 C ATOM 1758 NE2 HIS A 111 16.553 5.874 -2.859 1.00 52.33 N ATOM 0 H HIS A 111 17.855 2.908 -5.353 1.00 10.51 H new ATOM 0 HA HIS A 111 20.123 3.747 -6.520 1.00 31.40 H new ATOM 0 HB2 HIS A 111 19.275 6.051 -6.135 1.00 53.54 H new ATOM 0 HB3 HIS A 111 17.972 4.958 -6.560 1.00 53.54 H new ATOM 0 HD2 HIS A 111 16.163 4.367 -4.404 1.00 41.32 H new ATOM 0 HE1 HIS A 111 17.628 7.440 -1.882 1.00 2.24 H new ATOM 0 HE2 HIS A 111 15.752 5.760 -2.237 1.00 52.33 H new ATOM 1767 N HIS A 112 20.476 4.266 -3.295 1.00 34.35 N ATOM 1768 CA HIS A 112 21.485 4.520 -2.264 1.00 71.32 C ATOM 1769 C HIS A 112 21.239 3.638 -1.033 1.00 23.42 C ATOM 1770 O HIS A 112 20.428 3.975 -0.166 1.00 72.31 O ATOM 1771 CB HIS A 112 21.491 6.003 -1.862 1.00 73.10 C ATOM 1772 CG HIS A 112 22.614 6.370 -0.936 1.00 34.14 C ATOM 1773 ND1 HIS A 112 22.556 6.203 0.433 1.00 42.35 N ATOM 1774 CD2 HIS A 112 23.840 6.889 -1.192 1.00 45.55 C ATOM 1775 CE1 HIS A 112 23.692 6.600 0.973 1.00 35.21 C ATOM 1776 NE2 HIS A 112 24.485 7.018 0.011 1.00 54.14 N ATOM 0 H HIS A 112 19.557 4.014 -2.931 1.00 34.35 H new ATOM 0 HA HIS A 112 22.461 4.270 -2.680 1.00 71.32 H new ATOM 0 HB2 HIS A 112 21.559 6.614 -2.762 1.00 73.10 H new ATOM 0 HB3 HIS A 112 20.542 6.245 -1.383 1.00 73.10 H new ATOM 0 HD2 HIS A 112 24.235 7.152 -2.162 1.00 45.55 H new ATOM 0 HE1 HIS A 112 23.930 6.584 2.026 1.00 35.21 H new ATOM 0 HE2 HIS A 112 25.430 7.381 0.139 1.00 54.14 H new ATOM 1785 N HIS A 113 21.923 2.499 -0.969 1.00 61.23 N ATOM 1786 CA HIS A 113 21.770 1.575 0.160 1.00 74.13 C ATOM 1787 C HIS A 113 23.105 1.340 0.885 1.00 24.25 C ATOM 1788 O HIS A 113 24.015 0.693 0.362 1.00 42.43 O ATOM 1789 CB HIS A 113 21.146 0.242 -0.301 1.00 41.41 C ATOM 1790 CG HIS A 113 21.968 -0.556 -1.281 1.00 33.31 C ATOM 1791 ND1 HIS A 113 22.728 -0.174 -2.340 1.00 74.44 N flip ATOM 1792 CD2 HIS A 113 22.034 -1.935 -1.256 1.00 55.44 C flip ATOM 1793 CE1 HIS A 113 23.225 -1.316 -2.915 1.00 65.31 C flip ATOM 1794 NE2 HIS A 113 22.792 -2.361 -2.245 1.00 11.31 N flip ATOM 0 H HIS A 113 22.586 2.191 -1.680 1.00 61.23 H new ATOM 0 HA HIS A 113 21.090 2.039 0.875 1.00 74.13 H new ATOM 0 HB2 HIS A 113 20.961 -0.375 0.578 1.00 41.41 H new ATOM 0 HB3 HIS A 113 20.177 0.452 -0.753 1.00 41.41 H new ATOM 0 HD2 HIS A 113 21.539 -2.568 -0.535 1.00 55.44 H new ATOM 0 HE1 HIS A 113 23.870 -1.351 -3.781 1.00 65.31 H new ATOM 0 HE2 HIS A 113 23.007 -3.336 -2.455 1.00 11.31 H new ATOM 1803 N HIS A 114 23.218 1.912 2.080 1.00 53.24 N ATOM 1804 CA HIS A 114 24.387 1.716 2.947 1.00 42.50 C ATOM 1805 C HIS A 114 23.979 1.012 4.255 1.00 45.31 C ATOM 1806 O HIS A 114 24.796 0.812 5.153 1.00 54.55 O ATOM 1807 CB HIS A 114 25.035 3.084 3.235 1.00 52.43 C ATOM 1808 CG HIS A 114 26.224 3.040 4.152 1.00 53.33 C ATOM 1809 ND1 HIS A 114 27.474 2.626 3.751 1.00 34.13 N ATOM 1810 CD2 HIS A 114 26.345 3.365 5.464 1.00 23.01 C ATOM 1811 CE1 HIS A 114 28.307 2.697 4.766 1.00 71.33 C ATOM 1812 NE2 HIS A 114 27.652 3.145 5.815 1.00 40.03 N ATOM 0 H HIS A 114 22.506 2.524 2.479 1.00 53.24 H new ATOM 0 HA HIS A 114 25.112 1.077 2.442 1.00 42.50 H new ATOM 0 HB2 HIS A 114 25.340 3.531 2.289 1.00 52.43 H new ATOM 0 HB3 HIS A 114 24.283 3.742 3.671 1.00 52.43 H new ATOM 0 HD2 HIS A 114 25.560 3.729 6.110 1.00 23.01 H new ATOM 0 HE1 HIS A 114 29.354 2.432 4.742 1.00 71.33 H new ATOM 0 HE2 HIS A 114 28.052 3.303 6.740 1.00 40.03 H new ATOM 1821 N HIS A 115 22.708 0.617 4.343 1.00 10.31 N ATOM 1822 CA HIS A 115 22.173 -0.018 5.552 1.00 2.34 C ATOM 1823 C HIS A 115 20.802 -0.661 5.287 1.00 45.42 C ATOM 1824 O HIS A 115 20.311 -0.671 4.158 1.00 72.34 O ATOM 1825 CB HIS A 115 22.038 1.015 6.684 1.00 20.13 C ATOM 1826 CG HIS A 115 20.975 2.045 6.435 1.00 24.10 C ATOM 1827 ND1 HIS A 115 19.685 1.921 6.900 1.00 70.43 N ATOM 1828 CD2 HIS A 115 21.014 3.222 5.766 1.00 62.31 C ATOM 1829 CE1 HIS A 115 18.980 2.966 6.529 1.00 61.32 C ATOM 1830 NE2 HIS A 115 19.759 3.774 5.839 1.00 2.32 N ATOM 0 H HIS A 115 22.028 0.725 3.591 1.00 10.31 H new ATOM 0 HA HIS A 115 22.873 -0.799 5.849 1.00 2.34 H new ATOM 0 HB2 HIS A 115 21.816 0.494 7.615 1.00 20.13 H new ATOM 0 HB3 HIS A 115 22.995 1.519 6.821 1.00 20.13 H new ATOM 0 HD2 HIS A 115 21.873 3.647 5.268 1.00 62.31 H new ATOM 0 HE1 HIS A 115 17.937 3.134 6.752 1.00 61.32 H new ATOM 0 HE2 HIS A 115 19.476 4.663 5.427 1.00 2.32 H new ATOM 1839 N HIS A 116 20.196 -1.190 6.344 1.00 2.21 N ATOM 1840 CA HIS A 116 18.827 -1.718 6.283 1.00 35.42 C ATOM 1841 C HIS A 116 17.973 -1.138 7.429 1.00 4.21 C ATOM 1842 O HIS A 116 17.318 -0.095 7.220 1.00 37.61 O ATOM 1843 CB HIS A 116 18.845 -3.253 6.353 1.00 4.52 C ATOM 1844 CG HIS A 116 17.479 -3.879 6.356 1.00 73.51 C ATOM 1845 ND1 HIS A 116 16.707 -3.987 7.490 1.00 3.53 N ATOM 1846 CD2 HIS A 116 16.750 -4.437 5.359 1.00 4.13 C ATOM 1847 CE1 HIS A 116 15.571 -4.584 7.198 1.00 43.20 C ATOM 1848 NE2 HIS A 116 15.567 -4.867 5.912 1.00 55.41 N ATOM 1849 OXT HIS A 116 17.987 -1.716 8.541 1.00 37.61 O ATOM 0 H HIS A 116 20.631 -1.267 7.263 1.00 2.21 H new ATOM 0 HA HIS A 116 18.381 -1.417 5.335 1.00 35.42 H new ATOM 0 HB2 HIS A 116 19.409 -3.639 5.504 1.00 4.52 H new ATOM 0 HB3 HIS A 116 19.376 -3.560 7.254 1.00 4.52 H new ATOM 0 HD1 HIS A 116 16.975 -3.655 8.416 1.00 3.53 H new ATOM 0 HD2 HIS A 116 17.044 -4.527 4.324 1.00 4.13 H new ATOM 0 HE1 HIS A 116 14.776 -4.805 7.895 1.00 43.20 H new TER 1858 HIS A 116