USER MOD reduce.3.24.130724 H: found=0, std=0, add=952, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 950 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 101 ASN : amide:sc= 0.571 K(o=1.3,f=-0.8) USER MOD Set 1.2: A 105 SER OG : rot 140:sc= 0.696 USER MOD Set 2.1: A 1 MET CE :methyl -163:sc= -0.0289 (180deg=-0.623) USER MOD Set 2.2: A 103 TYR OH : rot 137:sc= 1.03 USER MOD Set 3.1: A 61 LYS NZ :NH3+ -142:sc= -0.387 (180deg=-2.02!) USER MOD Set 3.2: A 84 MET CE :methyl 158:sc= -0.218 (180deg=-0.282) USER MOD Set 4.1: A 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 4.2: A 35 ASN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.0998 K(o=-0.1,f=-3!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 103:sc= 1.95 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= -0.144 X(o=-0.14,f=-0.13) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.142 K(o=-0.14,f=-6.7!) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 51 HIS : no HD1:sc= -0.0434 X(o=-0.043,f=0.002) USER MOD Single : A 53 HIS : no HE2:sc= 0.668 K(o=0.67,f=-2.7!) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 131:sc= 1.26 (180deg=-0.368) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 28:sc= 0.0362 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= 1.11 K(o=1.1,f=-0.77) USER MOD Single : A 107 GLN : amide:sc= -0.0229 K(o=-0.023,f=-2.7!) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 113 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 118 HIS : no HD1:sc= -0.0151 X(o=-0.015,f=-0.015) USER MOD Single : A 119 HIS : no HD1:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 120 HIS : no HD1:sc= -0.0763 X(o=-0.076,f=-0.076) USER MOD Single : A 121 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 123 HIS : no HE2:sc= 0.884 K(o=0.88,f=-4.2!) USER MOD Single : A 124 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.711 -12.443 -12.436 1.00 0.00 N ATOM 2 CA MET A 1 5.686 -11.877 -11.082 1.00 0.00 C ATOM 3 C MET A 1 6.918 -12.304 -10.293 1.00 0.00 C ATOM 4 O MET A 1 7.458 -13.389 -10.515 1.00 0.00 O ATOM 5 CB MET A 1 4.342 -12.156 -10.382 1.00 0.00 C ATOM 6 CG MET A 1 4.300 -13.207 -9.275 1.00 0.00 C ATOM 7 SD MET A 1 2.648 -13.833 -8.865 1.00 0.00 S ATOM 8 CE MET A 1 1.605 -12.358 -9.079 1.00 0.00 C ATOM 0 H1 MET A 1 4.863 -12.139 -12.955 1.00 0.00 H new ATOM 0 H2 MET A 1 6.560 -12.110 -12.936 1.00 0.00 H new ATOM 0 H3 MET A 1 5.728 -13.481 -12.378 1.00 0.00 H new ATOM 0 HA MET A 1 5.746 -10.791 -11.146 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.987 -11.216 -9.960 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.625 -12.452 -11.148 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.926 -14.048 -9.571 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.743 -12.781 -8.375 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.648 -12.514 -8.581 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.105 -11.493 -8.643 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.436 -12.183 -10.142 1.00 0.00 H new ATOM 18 N ILE A 2 7.349 -11.451 -9.362 1.00 0.00 N ATOM 19 CA ILE A 2 8.306 -11.742 -8.295 1.00 0.00 C ATOM 20 C ILE A 2 7.494 -11.589 -7.004 1.00 0.00 C ATOM 21 O ILE A 2 6.505 -10.853 -7.007 1.00 0.00 O ATOM 22 CB ILE A 2 9.507 -10.764 -8.323 1.00 0.00 C ATOM 23 CG1 ILE A 2 10.011 -10.490 -9.758 1.00 0.00 C ATOM 24 CG2 ILE A 2 10.680 -11.192 -7.425 1.00 0.00 C ATOM 25 CD1 ILE A 2 11.231 -9.572 -9.803 1.00 0.00 C ATOM 0 H ILE A 2 7.021 -10.486 -9.331 1.00 0.00 H new ATOM 0 HA ILE A 2 8.743 -12.736 -8.396 1.00 0.00 H new ATOM 0 HB ILE A 2 9.110 -9.837 -7.910 1.00 0.00 H new ATOM 0 HG12 ILE A 2 10.260 -11.438 -10.236 1.00 0.00 H new ATOM 0 HG13 ILE A 2 9.205 -10.042 -10.340 1.00 0.00 H new ATOM 0 HG21 ILE A 2 11.482 -10.457 -7.499 1.00 0.00 H new ATOM 0 HG22 ILE A 2 10.342 -11.257 -6.391 1.00 0.00 H new ATOM 0 HG23 ILE A 2 11.049 -12.165 -7.748 1.00 0.00 H new ATOM 0 HD11 ILE A 2 11.534 -9.420 -10.839 1.00 0.00 H new ATOM 0 HD12 ILE A 2 10.980 -8.611 -9.354 1.00 0.00 H new ATOM 0 HD13 ILE A 2 12.051 -10.029 -9.248 1.00 0.00 H new ATOM 37 N ILE A 3 7.877 -12.277 -5.934 1.00 0.00 N ATOM 38 CA ILE A 3 7.100 -12.534 -4.730 1.00 0.00 C ATOM 39 C ILE A 3 8.038 -12.262 -3.566 1.00 0.00 C ATOM 40 O ILE A 3 8.983 -13.023 -3.374 1.00 0.00 O ATOM 41 CB ILE A 3 6.628 -14.003 -4.713 1.00 0.00 C ATOM 42 CG1 ILE A 3 5.684 -14.320 -5.889 1.00 0.00 C ATOM 43 CG2 ILE A 3 5.928 -14.307 -3.381 1.00 0.00 C ATOM 44 CD1 ILE A 3 5.994 -15.649 -6.577 1.00 0.00 C ATOM 0 H ILE A 3 8.804 -12.699 -5.883 1.00 0.00 H new ATOM 0 HA ILE A 3 6.210 -11.906 -4.677 1.00 0.00 H new ATOM 0 HB ILE A 3 7.509 -14.636 -4.821 1.00 0.00 H new ATOM 0 HG12 ILE A 3 4.657 -14.339 -5.525 1.00 0.00 H new ATOM 0 HG13 ILE A 3 5.748 -13.516 -6.623 1.00 0.00 H new ATOM 0 HG21 ILE A 3 5.596 -15.345 -3.373 1.00 0.00 H new ATOM 0 HG22 ILE A 3 6.624 -14.142 -2.558 1.00 0.00 H new ATOM 0 HG23 ILE A 3 5.066 -13.650 -3.265 1.00 0.00 H new ATOM 0 HD11 ILE A 3 5.291 -15.808 -7.395 1.00 0.00 H new ATOM 0 HD12 ILE A 3 7.010 -15.626 -6.971 1.00 0.00 H new ATOM 0 HD13 ILE A 3 5.902 -16.462 -5.857 1.00 0.00 H new ATOM 56 N ALA A 4 7.860 -11.137 -2.875 1.00 0.00 N ATOM 57 CA ALA A 4 8.745 -10.799 -1.763 1.00 0.00 C ATOM 58 C ALA A 4 8.330 -11.554 -0.516 1.00 0.00 C ATOM 59 O ALA A 4 7.131 -11.696 -0.285 1.00 0.00 O ATOM 60 CB ALA A 4 8.756 -9.299 -1.441 1.00 0.00 C ATOM 0 H ALA A 4 7.124 -10.455 -3.061 1.00 0.00 H new ATOM 0 HA ALA A 4 9.749 -11.085 -2.075 1.00 0.00 H new ATOM 0 HB1 ALA A 4 9.432 -9.111 -0.607 1.00 0.00 H new ATOM 0 HB2 ALA A 4 9.094 -8.742 -2.315 1.00 0.00 H new ATOM 0 HB3 ALA A 4 7.750 -8.977 -1.173 1.00 0.00 H new ATOM 66 N ILE A 5 9.294 -11.946 0.319 1.00 0.00 N ATOM 67 CA ILE A 5 9.045 -12.596 1.596 1.00 0.00 C ATOM 68 C ILE A 5 10.153 -12.115 2.541 1.00 0.00 C ATOM 69 O ILE A 5 11.328 -12.395 2.293 1.00 0.00 O ATOM 70 CB ILE A 5 8.987 -14.143 1.496 1.00 0.00 C ATOM 71 CG1 ILE A 5 7.985 -14.644 0.426 1.00 0.00 C ATOM 72 CG2 ILE A 5 8.576 -14.705 2.879 1.00 0.00 C ATOM 73 CD1 ILE A 5 8.134 -16.123 0.085 1.00 0.00 C ATOM 0 H ILE A 5 10.286 -11.816 0.118 1.00 0.00 H new ATOM 0 HA ILE A 5 8.059 -12.323 1.972 1.00 0.00 H new ATOM 0 HB ILE A 5 9.974 -14.494 1.195 1.00 0.00 H new ATOM 0 HG12 ILE A 5 6.970 -14.463 0.780 1.00 0.00 H new ATOM 0 HG13 ILE A 5 8.115 -14.057 -0.483 1.00 0.00 H new ATOM 0 HG21 ILE A 5 8.529 -15.793 2.830 1.00 0.00 H new ATOM 0 HG22 ILE A 5 9.311 -14.406 3.626 1.00 0.00 H new ATOM 0 HG23 ILE A 5 7.598 -14.312 3.155 1.00 0.00 H new ATOM 0 HD11 ILE A 5 7.398 -16.398 -0.671 1.00 0.00 H new ATOM 0 HD12 ILE A 5 9.137 -16.308 -0.300 1.00 0.00 H new ATOM 0 HD13 ILE A 5 7.974 -16.721 0.982 1.00 0.00 H new ATOM 85 N PRO A 6 9.827 -11.358 3.605 1.00 0.00 N ATOM 86 CA PRO A 6 10.803 -11.020 4.625 1.00 0.00 C ATOM 87 C PRO A 6 11.109 -12.276 5.432 1.00 0.00 C ATOM 88 O PRO A 6 10.182 -12.922 5.922 1.00 0.00 O ATOM 89 CB PRO A 6 10.128 -9.949 5.477 1.00 0.00 C ATOM 90 CG PRO A 6 8.637 -10.242 5.366 1.00 0.00 C ATOM 91 CD PRO A 6 8.496 -10.900 3.989 1.00 0.00 C ATOM 0 HA PRO A 6 11.749 -10.653 4.226 1.00 0.00 H new ATOM 0 HB2 PRO A 6 10.464 -9.998 6.513 1.00 0.00 H new ATOM 0 HB3 PRO A 6 10.362 -8.949 5.113 1.00 0.00 H new ATOM 0 HG2 PRO A 6 8.299 -10.905 6.163 1.00 0.00 H new ATOM 0 HG3 PRO A 6 8.044 -9.330 5.437 1.00 0.00 H new ATOM 0 HD2 PRO A 6 7.796 -11.735 4.029 1.00 0.00 H new ATOM 0 HD3 PRO A 6 8.105 -10.191 3.259 1.00 0.00 H new ATOM 99 N VAL A 7 12.377 -12.622 5.618 1.00 0.00 N ATOM 100 CA VAL A 7 12.770 -13.827 6.343 1.00 0.00 C ATOM 101 C VAL A 7 13.675 -13.440 7.502 1.00 0.00 C ATOM 102 O VAL A 7 14.353 -12.412 7.447 1.00 0.00 O ATOM 103 CB VAL A 7 13.406 -14.854 5.391 1.00 0.00 C ATOM 104 CG1 VAL A 7 12.320 -15.528 4.543 1.00 0.00 C ATOM 105 CG2 VAL A 7 14.498 -14.260 4.490 1.00 0.00 C ATOM 0 H VAL A 7 13.164 -12.075 5.270 1.00 0.00 H new ATOM 0 HA VAL A 7 11.891 -14.317 6.763 1.00 0.00 H new ATOM 0 HB VAL A 7 13.900 -15.595 6.019 1.00 0.00 H new ATOM 0 HG11 VAL A 7 12.780 -16.253 3.872 1.00 0.00 H new ATOM 0 HG12 VAL A 7 11.611 -16.037 5.197 1.00 0.00 H new ATOM 0 HG13 VAL A 7 11.796 -14.773 3.957 1.00 0.00 H new ATOM 0 HG21 VAL A 7 14.902 -15.040 3.845 1.00 0.00 H new ATOM 0 HG22 VAL A 7 14.071 -13.467 3.876 1.00 0.00 H new ATOM 0 HG23 VAL A 7 15.297 -13.850 5.108 1.00 0.00 H new ATOM 115 N SER A 8 13.642 -14.222 8.580 1.00 0.00 N ATOM 116 CA SER A 8 14.471 -13.986 9.750 1.00 0.00 C ATOM 117 C SER A 8 15.947 -14.226 9.442 1.00 0.00 C ATOM 118 O SER A 8 16.793 -13.631 10.110 1.00 0.00 O ATOM 119 CB SER A 8 14.021 -14.905 10.892 1.00 0.00 C ATOM 120 OG SER A 8 12.809 -14.420 11.453 1.00 0.00 O ATOM 0 H SER A 8 13.036 -15.038 8.662 1.00 0.00 H new ATOM 0 HA SER A 8 14.354 -12.944 10.047 1.00 0.00 H new ATOM 0 HB2 SER A 8 13.879 -15.920 10.520 1.00 0.00 H new ATOM 0 HB3 SER A 8 14.794 -14.952 11.659 1.00 0.00 H new ATOM 0 HG SER A 8 12.525 -15.012 12.181 1.00 0.00 H new ATOM 126 N GLU A 9 16.251 -15.085 8.469 1.00 0.00 N ATOM 127 CA GLU A 9 17.591 -15.493 8.089 1.00 0.00 C ATOM 128 C GLU A 9 17.568 -15.858 6.608 1.00 0.00 C ATOM 129 O GLU A 9 16.513 -16.232 6.092 1.00 0.00 O ATOM 130 CB GLU A 9 18.007 -16.712 8.930 1.00 0.00 C ATOM 131 CG GLU A 9 18.307 -16.361 10.393 1.00 0.00 C ATOM 132 CD GLU A 9 19.496 -15.403 10.565 1.00 0.00 C ATOM 133 OE1 GLU A 9 20.288 -15.202 9.617 1.00 0.00 O ATOM 134 OE2 GLU A 9 19.692 -14.902 11.701 1.00 0.00 O ATOM 0 H GLU A 9 15.531 -15.533 7.902 1.00 0.00 H new ATOM 0 HA GLU A 9 18.306 -14.689 8.263 1.00 0.00 H new ATOM 0 HB2 GLU A 9 17.212 -17.457 8.897 1.00 0.00 H new ATOM 0 HB3 GLU A 9 18.890 -17.169 8.484 1.00 0.00 H new ATOM 0 HG2 GLU A 9 17.420 -15.910 10.839 1.00 0.00 H new ATOM 0 HG3 GLU A 9 18.509 -17.279 10.944 1.00 0.00 H new ATOM 141 N ASN A 10 18.723 -15.786 5.943 1.00 0.00 N ATOM 142 CA ASN A 10 18.886 -16.224 4.569 1.00 0.00 C ATOM 143 C ASN A 10 19.178 -17.708 4.657 1.00 0.00 C ATOM 144 O ASN A 10 20.317 -18.099 4.932 1.00 0.00 O ATOM 145 CB ASN A 10 20.023 -15.475 3.857 1.00 0.00 C ATOM 146 CG ASN A 10 20.055 -15.771 2.361 1.00 0.00 C ATOM 147 OD1 ASN A 10 19.644 -16.831 1.891 1.00 0.00 O ATOM 148 ND2 ASN A 10 20.558 -14.846 1.569 1.00 0.00 N ATOM 0 H ASN A 10 19.579 -15.416 6.356 1.00 0.00 H new ATOM 0 HA ASN A 10 17.993 -16.017 3.980 1.00 0.00 H new ATOM 0 HB2 ASN A 10 19.903 -14.403 4.012 1.00 0.00 H new ATOM 0 HB3 ASN A 10 20.977 -15.757 4.303 1.00 0.00 H new ATOM 0 HD21 ASN A 10 20.607 -15.008 0.563 1.00 0.00 H new ATOM 0 HD22 ASN A 10 20.898 -13.968 1.962 1.00 0.00 H new ATOM 155 N ARG A 11 18.138 -18.525 4.512 1.00 0.00 N ATOM 156 CA ARG A 11 18.236 -19.976 4.505 1.00 0.00 C ATOM 157 C ARG A 11 17.577 -20.505 3.222 1.00 0.00 C ATOM 158 O ARG A 11 16.874 -21.503 3.257 1.00 0.00 O ATOM 159 CB ARG A 11 17.659 -20.576 5.811 1.00 0.00 C ATOM 160 CG ARG A 11 18.247 -19.911 7.068 1.00 0.00 C ATOM 161 CD ARG A 11 18.317 -20.827 8.290 1.00 0.00 C ATOM 162 NE ARG A 11 19.002 -20.166 9.424 1.00 0.00 N ATOM 163 CZ ARG A 11 19.425 -20.773 10.543 1.00 0.00 C ATOM 164 NH1 ARG A 11 19.280 -22.087 10.669 1.00 0.00 N ATOM 165 NH2 ARG A 11 19.984 -20.086 11.538 1.00 0.00 N ATOM 0 H ARG A 11 17.183 -18.186 4.394 1.00 0.00 H new ATOM 0 HA ARG A 11 19.278 -20.295 4.489 1.00 0.00 H new ATOM 0 HB2 ARG A 11 16.575 -20.459 5.814 1.00 0.00 H new ATOM 0 HB3 ARG A 11 17.865 -21.646 5.839 1.00 0.00 H new ATOM 0 HG2 ARG A 11 19.251 -19.552 6.839 1.00 0.00 H new ATOM 0 HG3 ARG A 11 17.645 -19.037 7.318 1.00 0.00 H new ATOM 0 HD2 ARG A 11 17.309 -21.114 8.589 1.00 0.00 H new ATOM 0 HD3 ARG A 11 18.845 -21.744 8.029 1.00 0.00 H new ATOM 0 HE ARG A 11 19.167 -19.162 9.348 1.00 0.00 H new ATOM 0 HH11 ARG A 11 18.850 -22.627 9.918 1.00 0.00 H new ATOM 0 HH12 ARG A 11 19.599 -22.556 11.517 1.00 0.00 H new ATOM 0 HH21 ARG A 11 20.098 -19.076 11.459 1.00 0.00 H new ATOM 0 HH22 ARG A 11 20.298 -20.570 12.379 1.00 0.00 H new ATOM 179 N GLY A 12 17.761 -19.836 2.076 1.00 0.00 N ATOM 180 CA GLY A 12 17.203 -20.257 0.790 1.00 0.00 C ATOM 181 C GLY A 12 15.707 -20.528 0.894 1.00 0.00 C ATOM 182 O GLY A 12 14.929 -19.697 1.366 1.00 0.00 O ATOM 0 H GLY A 12 18.309 -18.977 2.018 1.00 0.00 H new ATOM 0 HA2 GLY A 12 17.383 -19.484 0.043 1.00 0.00 H new ATOM 0 HA3 GLY A 12 17.714 -21.157 0.447 1.00 0.00 H new ATOM 186 N LYS A 13 15.290 -21.700 0.443 1.00 0.00 N ATOM 187 CA LYS A 13 13.933 -22.221 0.583 1.00 0.00 C ATOM 188 C LYS A 13 13.512 -22.317 2.056 1.00 0.00 C ATOM 189 O LYS A 13 12.414 -21.883 2.403 1.00 0.00 O ATOM 190 CB LYS A 13 13.881 -23.591 -0.108 1.00 0.00 C ATOM 191 CG LYS A 13 14.969 -24.564 0.360 1.00 0.00 C ATOM 192 CD LYS A 13 15.232 -25.656 -0.665 1.00 0.00 C ATOM 193 CE LYS A 13 16.623 -26.187 -0.345 1.00 0.00 C ATOM 194 NZ LYS A 13 16.976 -27.316 -1.218 1.00 0.00 N ATOM 0 H LYS A 13 15.910 -22.343 -0.051 1.00 0.00 H new ATOM 0 HA LYS A 13 13.225 -21.539 0.112 1.00 0.00 H new ATOM 0 HB2 LYS A 13 12.904 -24.040 0.071 1.00 0.00 H new ATOM 0 HB3 LYS A 13 13.974 -23.448 -1.185 1.00 0.00 H new ATOM 0 HG2 LYS A 13 15.891 -24.014 0.549 1.00 0.00 H new ATOM 0 HG3 LYS A 13 14.669 -25.017 1.305 1.00 0.00 H new ATOM 0 HD2 LYS A 13 14.485 -26.447 -0.597 1.00 0.00 H new ATOM 0 HD3 LYS A 13 15.186 -25.261 -1.680 1.00 0.00 H new ATOM 0 HE2 LYS A 13 17.356 -25.389 -0.464 1.00 0.00 H new ATOM 0 HE3 LYS A 13 16.663 -26.504 0.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 17.929 -27.657 -0.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 16.289 -28.086 -1.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 16.960 -27.006 -2.210 1.00 0.00 H new ATOM 208 N ASP A 14 14.388 -22.850 2.911 1.00 0.00 N ATOM 209 CA ASP A 14 14.241 -23.017 4.355 1.00 0.00 C ATOM 210 C ASP A 14 14.197 -21.695 5.145 1.00 0.00 C ATOM 211 O ASP A 14 14.017 -21.737 6.364 1.00 0.00 O ATOM 212 CB ASP A 14 15.306 -23.983 4.951 1.00 0.00 C ATOM 213 CG ASP A 14 16.637 -24.187 4.201 1.00 0.00 C ATOM 214 OD1 ASP A 14 16.621 -24.674 3.044 1.00 0.00 O ATOM 215 OD2 ASP A 14 17.718 -23.955 4.795 1.00 0.00 O ATOM 0 H ASP A 14 15.288 -23.203 2.584 1.00 0.00 H new ATOM 0 HA ASP A 14 13.259 -23.474 4.475 1.00 0.00 H new ATOM 0 HB2 ASP A 14 15.545 -23.630 5.954 1.00 0.00 H new ATOM 0 HB3 ASP A 14 14.838 -24.961 5.061 1.00 0.00 H new ATOM 220 N SER A 15 14.329 -20.528 4.499 1.00 0.00 N ATOM 221 CA SER A 15 14.183 -19.204 5.108 1.00 0.00 C ATOM 222 C SER A 15 12.845 -19.086 5.853 1.00 0.00 C ATOM 223 O SER A 15 11.791 -19.036 5.205 1.00 0.00 O ATOM 224 CB SER A 15 14.346 -18.107 4.068 1.00 0.00 C ATOM 225 OG SER A 15 15.560 -18.180 3.364 1.00 0.00 O ATOM 0 H SER A 15 14.548 -20.481 3.504 1.00 0.00 H new ATOM 0 HA SER A 15 14.978 -19.078 5.843 1.00 0.00 H new ATOM 0 HB2 SER A 15 13.520 -18.163 3.359 1.00 0.00 H new ATOM 0 HB3 SER A 15 14.278 -17.137 4.560 1.00 0.00 H new ATOM 0 HG SER A 15 15.400 -18.561 2.475 1.00 0.00 H new ATOM 231 N PRO A 16 12.833 -19.049 7.198 1.00 0.00 N ATOM 232 CA PRO A 16 11.595 -18.889 7.938 1.00 0.00 C ATOM 233 C PRO A 16 11.177 -17.422 7.894 1.00 0.00 C ATOM 234 O PRO A 16 12.009 -16.526 8.071 1.00 0.00 O ATOM 235 CB PRO A 16 11.906 -19.361 9.354 1.00 0.00 C ATOM 236 CG PRO A 16 13.379 -19.000 9.523 1.00 0.00 C ATOM 237 CD PRO A 16 13.967 -19.121 8.114 1.00 0.00 C ATOM 0 HA PRO A 16 10.765 -19.463 7.525 1.00 0.00 H new ATOM 0 HB2 PRO A 16 11.281 -18.859 10.093 1.00 0.00 H new ATOM 0 HB3 PRO A 16 11.738 -20.432 9.468 1.00 0.00 H new ATOM 0 HG2 PRO A 16 13.498 -17.991 9.917 1.00 0.00 H new ATOM 0 HG3 PRO A 16 13.876 -19.675 10.220 1.00 0.00 H new ATOM 0 HD2 PRO A 16 14.679 -18.319 7.918 1.00 0.00 H new ATOM 0 HD3 PRO A 16 14.506 -20.061 7.995 1.00 0.00 H new ATOM 245 N ILE A 17 9.895 -17.174 7.646 1.00 0.00 N ATOM 246 CA ILE A 17 9.328 -15.836 7.544 1.00 0.00 C ATOM 247 C ILE A 17 9.619 -15.006 8.815 1.00 0.00 C ATOM 248 O ILE A 17 9.476 -15.503 9.939 1.00 0.00 O ATOM 249 CB ILE A 17 7.831 -15.990 7.181 1.00 0.00 C ATOM 250 CG1 ILE A 17 7.230 -14.674 6.653 1.00 0.00 C ATOM 251 CG2 ILE A 17 7.000 -16.646 8.297 1.00 0.00 C ATOM 252 CD1 ILE A 17 6.065 -14.912 5.688 1.00 0.00 C ATOM 0 H ILE A 17 9.207 -17.914 7.508 1.00 0.00 H new ATOM 0 HA ILE A 17 9.798 -15.256 6.750 1.00 0.00 H new ATOM 0 HB ILE A 17 7.782 -16.698 6.353 1.00 0.00 H new ATOM 0 HG12 ILE A 17 6.885 -14.072 7.494 1.00 0.00 H new ATOM 0 HG13 ILE A 17 8.006 -14.100 6.147 1.00 0.00 H new ATOM 0 HG21 ILE A 17 5.960 -16.724 7.979 1.00 0.00 H new ATOM 0 HG22 ILE A 17 7.392 -17.642 8.505 1.00 0.00 H new ATOM 0 HG23 ILE A 17 7.058 -16.038 9.200 1.00 0.00 H new ATOM 0 HD11 ILE A 17 5.676 -13.954 5.344 1.00 0.00 H new ATOM 0 HD12 ILE A 17 6.414 -15.490 4.832 1.00 0.00 H new ATOM 0 HD13 ILE A 17 5.275 -15.462 6.200 1.00 0.00 H new ATOM 264 N SER A 18 10.049 -13.752 8.633 1.00 0.00 N ATOM 265 CA SER A 18 10.107 -12.730 9.674 1.00 0.00 C ATOM 266 C SER A 18 8.746 -12.049 9.737 1.00 0.00 C ATOM 267 O SER A 18 7.924 -12.181 8.825 1.00 0.00 O ATOM 268 CB SER A 18 11.158 -11.662 9.346 1.00 0.00 C ATOM 269 OG SER A 18 11.599 -10.930 10.483 1.00 0.00 O ATOM 0 H SER A 18 10.375 -13.414 7.728 1.00 0.00 H new ATOM 0 HA SER A 18 10.372 -13.203 10.619 1.00 0.00 H new ATOM 0 HB2 SER A 18 12.017 -12.142 8.877 1.00 0.00 H new ATOM 0 HB3 SER A 18 10.743 -10.968 8.616 1.00 0.00 H new ATOM 0 HG SER A 18 12.267 -10.268 10.207 1.00 0.00 H new ATOM 275 N GLU A 19 8.523 -11.227 10.760 1.00 0.00 N ATOM 276 CA GLU A 19 7.267 -10.536 10.879 1.00 0.00 C ATOM 277 C GLU A 19 7.311 -9.208 10.122 1.00 0.00 C ATOM 278 O GLU A 19 6.418 -8.884 9.326 1.00 0.00 O ATOM 279 CB GLU A 19 6.897 -10.366 12.358 1.00 0.00 C ATOM 280 CG GLU A 19 5.573 -9.596 12.361 1.00 0.00 C ATOM 281 CD GLU A 19 4.826 -9.480 13.678 1.00 0.00 C ATOM 282 OE1 GLU A 19 5.037 -10.322 14.569 1.00 0.00 O ATOM 283 OE2 GLU A 19 3.965 -8.573 13.788 1.00 0.00 O ATOM 0 H GLU A 19 9.194 -11.033 11.503 1.00 0.00 H new ATOM 0 HA GLU A 19 6.479 -11.131 10.418 1.00 0.00 H new ATOM 0 HB2 GLU A 19 6.790 -11.333 12.850 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.671 -9.819 12.896 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.771 -8.587 11.998 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.908 -10.070 11.639 1.00 0.00 H new ATOM 290 N HIS A 20 8.299 -8.384 10.465 1.00 0.00 N ATOM 291 CA HIS A 20 8.208 -6.941 10.325 1.00 0.00 C ATOM 292 C HIS A 20 9.031 -6.579 9.102 1.00 0.00 C ATOM 293 O HIS A 20 10.204 -6.233 9.210 1.00 0.00 O ATOM 294 CB HIS A 20 8.696 -6.233 11.611 1.00 0.00 C ATOM 295 CG HIS A 20 8.461 -6.924 12.935 1.00 0.00 C ATOM 296 ND1 HIS A 20 9.372 -7.758 13.568 1.00 0.00 N ATOM 297 CD2 HIS A 20 7.372 -6.792 13.751 1.00 0.00 C ATOM 298 CE1 HIS A 20 8.833 -8.136 14.740 1.00 0.00 C ATOM 299 NE2 HIS A 20 7.614 -7.580 14.861 1.00 0.00 N ATOM 0 H HIS A 20 9.188 -8.705 10.849 1.00 0.00 H new ATOM 0 HA HIS A 20 7.179 -6.609 10.189 1.00 0.00 H new ATOM 0 HB2 HIS A 20 9.767 -6.060 11.511 1.00 0.00 H new ATOM 0 HB3 HIS A 20 8.218 -5.255 11.656 1.00 0.00 H new ATOM 0 HD2 HIS A 20 6.495 -6.190 13.565 1.00 0.00 H new ATOM 0 HE1 HIS A 20 9.303 -8.782 15.467 1.00 0.00 H new ATOM 0 HE2 HIS A 20 6.974 -7.717 15.643 1.00 0.00 H new ATOM 308 N PHE A 21 8.398 -6.658 7.933 1.00 0.00 N ATOM 309 CA PHE A 21 8.979 -6.338 6.634 1.00 0.00 C ATOM 310 C PHE A 21 9.930 -5.134 6.685 1.00 0.00 C ATOM 311 O PHE A 21 11.043 -5.213 6.177 1.00 0.00 O ATOM 312 CB PHE A 21 7.828 -6.079 5.657 1.00 0.00 C ATOM 313 CG PHE A 21 8.289 -5.621 4.293 1.00 0.00 C ATOM 314 CD1 PHE A 21 8.517 -4.249 4.061 1.00 0.00 C ATOM 315 CD2 PHE A 21 8.543 -6.562 3.279 1.00 0.00 C ATOM 316 CE1 PHE A 21 9.020 -3.811 2.827 1.00 0.00 C ATOM 317 CE2 PHE A 21 9.053 -6.127 2.048 1.00 0.00 C ATOM 318 CZ PHE A 21 9.303 -4.762 1.838 1.00 0.00 C ATOM 0 H PHE A 21 7.426 -6.959 7.864 1.00 0.00 H new ATOM 0 HA PHE A 21 9.588 -7.181 6.306 1.00 0.00 H new ATOM 0 HB2 PHE A 21 7.243 -6.992 5.547 1.00 0.00 H new ATOM 0 HB3 PHE A 21 7.165 -5.324 6.080 1.00 0.00 H new ATOM 0 HD1 PHE A 21 8.303 -3.531 4.839 1.00 0.00 H new ATOM 0 HD2 PHE A 21 8.347 -7.611 3.447 1.00 0.00 H new ATOM 0 HE1 PHE A 21 9.186 -2.760 2.643 1.00 0.00 H new ATOM 0 HE2 PHE A 21 9.253 -6.841 1.263 1.00 0.00 H new ATOM 0 HZ PHE A 21 9.721 -4.439 0.896 1.00 0.00 H new ATOM 328 N GLY A 22 9.520 -4.032 7.328 1.00 0.00 N ATOM 329 CA GLY A 22 10.300 -2.800 7.377 1.00 0.00 C ATOM 330 C GLY A 22 11.676 -2.921 8.050 1.00 0.00 C ATOM 331 O GLY A 22 12.488 -2.006 7.905 1.00 0.00 O ATOM 0 H GLY A 22 8.633 -3.976 7.829 1.00 0.00 H new ATOM 0 HA2 GLY A 22 10.442 -2.439 6.359 1.00 0.00 H new ATOM 0 HA3 GLY A 22 9.720 -2.043 7.906 1.00 0.00 H new ATOM 335 N ARG A 23 11.942 -4.007 8.780 1.00 0.00 N ATOM 336 CA ARG A 23 13.221 -4.368 9.390 1.00 0.00 C ATOM 337 C ARG A 23 13.403 -5.886 9.290 1.00 0.00 C ATOM 338 O ARG A 23 13.660 -6.555 10.293 1.00 0.00 O ATOM 339 CB ARG A 23 13.330 -3.836 10.838 1.00 0.00 C ATOM 340 CG ARG A 23 12.179 -4.262 11.768 1.00 0.00 C ATOM 341 CD ARG A 23 11.216 -3.112 12.085 1.00 0.00 C ATOM 342 NE ARG A 23 11.774 -2.155 13.058 1.00 0.00 N ATOM 343 CZ ARG A 23 11.178 -1.039 13.494 1.00 0.00 C ATOM 344 NH1 ARG A 23 9.970 -0.705 13.045 1.00 0.00 N ATOM 345 NH2 ARG A 23 11.786 -0.261 14.384 1.00 0.00 N ATOM 0 H ARG A 23 11.221 -4.702 8.972 1.00 0.00 H new ATOM 0 HA ARG A 23 14.038 -3.891 8.849 1.00 0.00 H new ATOM 0 HB2 ARG A 23 14.272 -4.179 11.267 1.00 0.00 H new ATOM 0 HB3 ARG A 23 13.371 -2.747 10.809 1.00 0.00 H new ATOM 0 HG2 ARG A 23 11.624 -5.077 11.303 1.00 0.00 H new ATOM 0 HG3 ARG A 23 12.594 -4.650 12.698 1.00 0.00 H new ATOM 0 HD2 ARG A 23 10.970 -2.585 11.163 1.00 0.00 H new ATOM 0 HD3 ARG A 23 10.285 -3.521 12.477 1.00 0.00 H new ATOM 0 HE ARG A 23 12.699 -2.363 13.433 1.00 0.00 H new ATOM 0 HH11 ARG A 23 9.496 -1.301 12.366 1.00 0.00 H new ATOM 0 HH12 ARG A 23 9.519 0.146 13.380 1.00 0.00 H new ATOM 0 HH21 ARG A 23 12.709 -0.514 14.736 1.00 0.00 H new ATOM 0 HH22 ARG A 23 11.329 0.589 14.715 1.00 0.00 H new ATOM 359 N ALA A 24 13.174 -6.448 8.103 1.00 0.00 N ATOM 360 CA ALA A 24 13.557 -7.818 7.795 1.00 0.00 C ATOM 361 C ALA A 24 15.061 -7.809 7.474 1.00 0.00 C ATOM 362 O ALA A 24 15.487 -6.911 6.749 1.00 0.00 O ATOM 363 CB ALA A 24 12.775 -8.281 6.567 1.00 0.00 C ATOM 0 H ALA A 24 12.717 -5.963 7.331 1.00 0.00 H new ATOM 0 HA ALA A 24 13.346 -8.488 8.628 1.00 0.00 H new ATOM 0 HB1 ALA A 24 13.052 -9.307 6.325 1.00 0.00 H new ATOM 0 HB2 ALA A 24 11.706 -8.234 6.777 1.00 0.00 H new ATOM 0 HB3 ALA A 24 13.008 -7.633 5.722 1.00 0.00 H new ATOM 369 N PRO A 25 15.863 -8.774 7.948 1.00 0.00 N ATOM 370 CA PRO A 25 17.288 -8.842 7.621 1.00 0.00 C ATOM 371 C PRO A 25 17.589 -9.215 6.164 1.00 0.00 C ATOM 372 O PRO A 25 18.645 -8.847 5.649 1.00 0.00 O ATOM 373 CB PRO A 25 17.895 -9.836 8.610 1.00 0.00 C ATOM 374 CG PRO A 25 16.712 -10.693 9.035 1.00 0.00 C ATOM 375 CD PRO A 25 15.515 -9.755 8.958 1.00 0.00 C ATOM 0 HA PRO A 25 17.733 -7.851 7.714 1.00 0.00 H new ATOM 0 HB2 PRO A 25 18.677 -10.436 8.145 1.00 0.00 H new ATOM 0 HB3 PRO A 25 18.347 -9.328 9.462 1.00 0.00 H new ATOM 0 HG2 PRO A 25 16.587 -11.552 8.375 1.00 0.00 H new ATOM 0 HG3 PRO A 25 16.846 -11.083 10.044 1.00 0.00 H new ATOM 0 HD2 PRO A 25 14.608 -10.295 8.686 1.00 0.00 H new ATOM 0 HD3 PRO A 25 15.326 -9.279 9.920 1.00 0.00 H new ATOM 383 N TYR A 26 16.676 -9.919 5.489 1.00 0.00 N ATOM 384 CA TYR A 26 16.832 -10.363 4.109 1.00 0.00 C ATOM 385 C TYR A 26 15.450 -10.339 3.451 1.00 0.00 C ATOM 386 O TYR A 26 14.431 -10.420 4.151 1.00 0.00 O ATOM 387 CB TYR A 26 17.412 -11.790 4.067 1.00 0.00 C ATOM 388 CG TYR A 26 18.653 -12.040 4.907 1.00 0.00 C ATOM 389 CD1 TYR A 26 18.513 -12.418 6.255 1.00 0.00 C ATOM 390 CD2 TYR A 26 19.939 -11.912 4.350 1.00 0.00 C ATOM 391 CE1 TYR A 26 19.647 -12.616 7.060 1.00 0.00 C ATOM 392 CE2 TYR A 26 21.078 -12.142 5.142 1.00 0.00 C ATOM 393 CZ TYR A 26 20.935 -12.472 6.506 1.00 0.00 C ATOM 394 OH TYR A 26 22.037 -12.688 7.275 1.00 0.00 O ATOM 0 H TYR A 26 15.787 -10.201 5.901 1.00 0.00 H new ATOM 0 HA TYR A 26 17.520 -9.705 3.578 1.00 0.00 H new ATOM 0 HB2 TYR A 26 16.636 -12.484 4.390 1.00 0.00 H new ATOM 0 HB3 TYR A 26 17.646 -12.033 3.031 1.00 0.00 H new ATOM 0 HD1 TYR A 26 17.527 -12.557 6.674 1.00 0.00 H new ATOM 0 HD2 TYR A 26 20.051 -11.636 3.312 1.00 0.00 H new ATOM 0 HE1 TYR A 26 19.532 -12.878 8.101 1.00 0.00 H new ATOM 0 HE2 TYR A 26 22.063 -12.066 4.706 1.00 0.00 H new ATOM 0 HH TYR A 26 22.844 -12.547 6.737 1.00 0.00 H new ATOM 404 N PHE A 27 15.415 -10.270 2.121 1.00 0.00 N ATOM 405 CA PHE A 27 14.211 -10.284 1.306 1.00 0.00 C ATOM 406 C PHE A 27 14.348 -11.415 0.284 1.00 0.00 C ATOM 407 O PHE A 27 15.114 -11.313 -0.674 1.00 0.00 O ATOM 408 CB PHE A 27 13.982 -8.905 0.658 1.00 0.00 C ATOM 409 CG PHE A 27 13.453 -7.789 1.553 1.00 0.00 C ATOM 410 CD1 PHE A 27 12.489 -8.042 2.548 1.00 0.00 C ATOM 411 CD2 PHE A 27 13.818 -6.456 1.291 1.00 0.00 C ATOM 412 CE1 PHE A 27 11.929 -6.981 3.277 1.00 0.00 C ATOM 413 CE2 PHE A 27 13.230 -5.386 1.990 1.00 0.00 C ATOM 414 CZ PHE A 27 12.291 -5.653 2.998 1.00 0.00 C ATOM 0 H PHE A 27 16.265 -10.200 1.562 1.00 0.00 H new ATOM 0 HA PHE A 27 13.326 -10.475 1.913 1.00 0.00 H new ATOM 0 HB2 PHE A 27 14.927 -8.573 0.229 1.00 0.00 H new ATOM 0 HB3 PHE A 27 13.284 -9.033 -0.169 1.00 0.00 H new ATOM 0 HD1 PHE A 27 12.179 -9.057 2.751 1.00 0.00 H new ATOM 0 HD2 PHE A 27 14.565 -6.250 0.538 1.00 0.00 H new ATOM 0 HE1 PHE A 27 11.214 -7.188 4.059 1.00 0.00 H new ATOM 0 HE2 PHE A 27 13.499 -4.367 1.753 1.00 0.00 H new ATOM 0 HZ PHE A 27 11.849 -4.841 3.557 1.00 0.00 H new ATOM 424 N ALA A 28 13.643 -12.523 0.532 1.00 0.00 N ATOM 425 CA ALA A 28 13.546 -13.680 -0.349 1.00 0.00 C ATOM 426 C ALA A 28 12.527 -13.351 -1.429 1.00 0.00 C ATOM 427 O ALA A 28 11.356 -13.707 -1.320 1.00 0.00 O ATOM 428 CB ALA A 28 13.127 -14.914 0.459 1.00 0.00 C ATOM 0 H ALA A 28 13.103 -12.638 1.390 1.00 0.00 H new ATOM 0 HA ALA A 28 14.507 -13.905 -0.811 1.00 0.00 H new ATOM 0 HB1 ALA A 28 13.056 -15.776 -0.204 1.00 0.00 H new ATOM 0 HB2 ALA A 28 13.869 -15.111 1.233 1.00 0.00 H new ATOM 0 HB3 ALA A 28 12.158 -14.733 0.924 1.00 0.00 H new ATOM 434 N PHE A 29 12.948 -12.577 -2.432 1.00 0.00 N ATOM 435 CA PHE A 29 12.188 -12.328 -3.644 1.00 0.00 C ATOM 436 C PHE A 29 12.268 -13.589 -4.509 1.00 0.00 C ATOM 437 O PHE A 29 13.253 -13.805 -5.212 1.00 0.00 O ATOM 438 CB PHE A 29 12.704 -11.059 -4.348 1.00 0.00 C ATOM 439 CG PHE A 29 11.870 -9.787 -4.191 1.00 0.00 C ATOM 440 CD1 PHE A 29 10.467 -9.806 -4.354 1.00 0.00 C ATOM 441 CD2 PHE A 29 12.507 -8.554 -3.953 1.00 0.00 C ATOM 442 CE1 PHE A 29 9.697 -8.638 -4.214 1.00 0.00 C ATOM 443 CE2 PHE A 29 11.744 -7.366 -3.911 1.00 0.00 C ATOM 444 CZ PHE A 29 10.338 -7.410 -4.001 1.00 0.00 C ATOM 0 H PHE A 29 13.848 -12.098 -2.417 1.00 0.00 H new ATOM 0 HA PHE A 29 11.138 -12.131 -3.428 1.00 0.00 H new ATOM 0 HB2 PHE A 29 13.709 -10.852 -3.979 1.00 0.00 H new ATOM 0 HB3 PHE A 29 12.794 -11.275 -5.413 1.00 0.00 H new ATOM 0 HD1 PHE A 29 9.975 -10.738 -4.591 1.00 0.00 H new ATOM 0 HD2 PHE A 29 13.576 -8.517 -3.803 1.00 0.00 H new ATOM 0 HE1 PHE A 29 8.620 -8.687 -4.270 1.00 0.00 H new ATOM 0 HE2 PHE A 29 12.243 -6.414 -3.809 1.00 0.00 H new ATOM 0 HZ PHE A 29 9.759 -6.504 -3.906 1.00 0.00 H new ATOM 454 N VAL A 30 11.250 -14.442 -4.439 1.00 0.00 N ATOM 455 CA VAL A 30 11.089 -15.589 -5.334 1.00 0.00 C ATOM 456 C VAL A 30 10.435 -15.120 -6.632 1.00 0.00 C ATOM 457 O VAL A 30 9.857 -14.036 -6.675 1.00 0.00 O ATOM 458 CB VAL A 30 10.238 -16.670 -4.634 1.00 0.00 C ATOM 459 CG1 VAL A 30 10.374 -18.019 -5.352 1.00 0.00 C ATOM 460 CG2 VAL A 30 10.633 -16.858 -3.161 1.00 0.00 C ATOM 0 H VAL A 30 10.502 -14.357 -3.750 1.00 0.00 H new ATOM 0 HA VAL A 30 12.059 -16.024 -5.574 1.00 0.00 H new ATOM 0 HB VAL A 30 9.206 -16.323 -4.677 1.00 0.00 H new ATOM 0 HG11 VAL A 30 9.766 -18.766 -4.842 1.00 0.00 H new ATOM 0 HG12 VAL A 30 10.035 -17.918 -6.383 1.00 0.00 H new ATOM 0 HG13 VAL A 30 11.418 -18.333 -5.342 1.00 0.00 H new ATOM 0 HG21 VAL A 30 10.006 -17.629 -2.712 1.00 0.00 H new ATOM 0 HG22 VAL A 30 11.679 -17.160 -3.100 1.00 0.00 H new ATOM 0 HG23 VAL A 30 10.494 -15.919 -2.625 1.00 0.00 H new ATOM 470 N LYS A 31 10.481 -15.912 -7.700 1.00 0.00 N ATOM 471 CA LYS A 31 9.808 -15.593 -8.958 1.00 0.00 C ATOM 472 C LYS A 31 8.712 -16.614 -9.204 1.00 0.00 C ATOM 473 O LYS A 31 8.375 -17.421 -8.334 1.00 0.00 O ATOM 474 CB LYS A 31 10.854 -15.452 -10.086 1.00 0.00 C ATOM 475 CG LYS A 31 11.905 -14.401 -9.686 1.00 0.00 C ATOM 476 CD LYS A 31 12.856 -13.919 -10.787 1.00 0.00 C ATOM 477 CE LYS A 31 12.210 -13.224 -11.990 1.00 0.00 C ATOM 478 NZ LYS A 31 13.245 -12.706 -12.909 1.00 0.00 N ATOM 0 H LYS A 31 10.988 -16.797 -7.718 1.00 0.00 H new ATOM 0 HA LYS A 31 9.306 -14.626 -8.920 1.00 0.00 H new ATOM 0 HB2 LYS A 31 11.337 -16.412 -10.271 1.00 0.00 H new ATOM 0 HB3 LYS A 31 10.365 -15.157 -11.015 1.00 0.00 H new ATOM 0 HG2 LYS A 31 11.382 -13.533 -9.286 1.00 0.00 H new ATOM 0 HG3 LYS A 31 12.506 -14.813 -8.875 1.00 0.00 H new ATOM 0 HD2 LYS A 31 13.575 -13.232 -10.341 1.00 0.00 H new ATOM 0 HD3 LYS A 31 13.420 -14.778 -11.151 1.00 0.00 H new ATOM 0 HE2 LYS A 31 11.565 -13.925 -12.519 1.00 0.00 H new ATOM 0 HE3 LYS A 31 11.577 -12.405 -11.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 12.788 -12.238 -13.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 13.844 -12.021 -12.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 13.832 -13.494 -13.251 1.00 0.00 H new ATOM 492 N VAL A 32 8.123 -16.551 -10.389 1.00 0.00 N ATOM 493 CA VAL A 32 7.354 -17.643 -10.950 1.00 0.00 C ATOM 494 C VAL A 32 7.501 -17.523 -12.467 1.00 0.00 C ATOM 495 O VAL A 32 7.620 -16.414 -13.001 1.00 0.00 O ATOM 496 CB VAL A 32 5.897 -17.553 -10.429 1.00 0.00 C ATOM 497 CG1 VAL A 32 5.184 -16.301 -10.958 1.00 0.00 C ATOM 498 CG2 VAL A 32 5.040 -18.786 -10.740 1.00 0.00 C ATOM 0 H VAL A 32 8.168 -15.729 -10.992 1.00 0.00 H new ATOM 0 HA VAL A 32 7.702 -18.632 -10.651 1.00 0.00 H new ATOM 0 HB VAL A 32 5.999 -17.496 -9.345 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.165 -16.272 -10.572 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.721 -15.411 -10.631 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.158 -16.330 -12.047 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.036 -18.641 -10.341 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.985 -18.928 -11.819 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.489 -19.667 -10.281 1.00 0.00 H new ATOM 508 N LYS A 33 7.490 -18.647 -13.169 1.00 0.00 N ATOM 509 CA LYS A 33 7.473 -18.825 -14.614 1.00 0.00 C ATOM 510 C LYS A 33 6.234 -19.672 -14.808 1.00 0.00 C ATOM 511 O LYS A 33 6.207 -20.798 -14.312 1.00 0.00 O ATOM 512 CB LYS A 33 8.763 -19.544 -15.059 1.00 0.00 C ATOM 513 CG LYS A 33 8.819 -20.141 -16.472 1.00 0.00 C ATOM 514 CD LYS A 33 9.299 -19.168 -17.554 1.00 0.00 C ATOM 515 CE LYS A 33 8.173 -18.247 -18.016 1.00 0.00 C ATOM 516 NZ LYS A 33 8.464 -17.654 -19.334 1.00 0.00 N ATOM 0 H LYS A 33 7.493 -19.548 -12.692 1.00 0.00 H new ATOM 0 HA LYS A 33 7.443 -17.906 -15.199 1.00 0.00 H new ATOM 0 HB2 LYS A 33 9.586 -18.836 -14.966 1.00 0.00 H new ATOM 0 HB3 LYS A 33 8.954 -20.350 -14.351 1.00 0.00 H new ATOM 0 HG2 LYS A 33 9.480 -21.007 -16.461 1.00 0.00 H new ATOM 0 HG3 LYS A 33 7.826 -20.502 -16.740 1.00 0.00 H new ATOM 0 HD2 LYS A 33 10.124 -18.570 -17.167 1.00 0.00 H new ATOM 0 HD3 LYS A 33 9.684 -19.730 -18.405 1.00 0.00 H new ATOM 0 HE2 LYS A 33 7.240 -18.809 -18.067 1.00 0.00 H new ATOM 0 HE3 LYS A 33 8.027 -17.453 -17.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 7.678 -17.034 -19.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 9.341 -17.098 -19.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 8.578 -18.411 -20.038 1.00 0.00 H new ATOM 530 N ASN A 34 5.206 -19.128 -15.459 1.00 0.00 N ATOM 531 CA ASN A 34 3.881 -19.728 -15.569 1.00 0.00 C ATOM 532 C ASN A 34 3.294 -20.062 -14.192 1.00 0.00 C ATOM 533 O ASN A 34 2.600 -19.215 -13.633 1.00 0.00 O ATOM 534 CB ASN A 34 3.938 -20.888 -16.568 1.00 0.00 C ATOM 535 CG ASN A 34 2.617 -21.624 -16.683 1.00 0.00 C ATOM 536 OD1 ASN A 34 1.670 -21.116 -17.275 1.00 0.00 O ATOM 537 ND2 ASN A 34 2.563 -22.859 -16.234 1.00 0.00 N ATOM 0 H ASN A 34 5.277 -18.230 -15.938 1.00 0.00 H new ATOM 0 HA ASN A 34 3.167 -19.013 -15.977 1.00 0.00 H new ATOM 0 HB2 ASN A 34 4.223 -20.505 -17.548 1.00 0.00 H new ATOM 0 HB3 ASN A 34 4.715 -21.589 -16.262 1.00 0.00 H new ATOM 0 HD21 ASN A 34 1.721 -23.417 -16.375 1.00 0.00 H new ATOM 0 HD22 ASN A 34 3.364 -23.259 -15.745 1.00 0.00 H new ATOM 544 N ASN A 35 3.580 -21.237 -13.627 1.00 0.00 N ATOM 545 CA ASN A 35 3.019 -21.740 -12.373 1.00 0.00 C ATOM 546 C ASN A 35 4.081 -22.414 -11.500 1.00 0.00 C ATOM 547 O ASN A 35 3.741 -23.116 -10.540 1.00 0.00 O ATOM 548 CB ASN A 35 1.887 -22.717 -12.667 1.00 0.00 C ATOM 549 CG ASN A 35 0.580 -22.002 -12.980 1.00 0.00 C ATOM 550 OD1 ASN A 35 0.383 -21.528 -14.094 1.00 0.00 O ATOM 551 ND2 ASN A 35 -0.346 -21.903 -12.045 1.00 0.00 N ATOM 0 H ASN A 35 4.238 -21.892 -14.050 1.00 0.00 H new ATOM 0 HA ASN A 35 2.632 -20.886 -11.817 1.00 0.00 H new ATOM 0 HB2 ASN A 35 2.165 -23.350 -13.510 1.00 0.00 H new ATOM 0 HB3 ASN A 35 1.744 -23.374 -11.809 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -1.227 -21.432 -12.248 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -0.180 -22.298 -11.119 1.00 0.00 H new ATOM 558 N ALA A 36 5.364 -22.253 -11.826 1.00 0.00 N ATOM 559 CA ALA A 36 6.456 -22.836 -11.066 1.00 0.00 C ATOM 560 C ALA A 36 7.439 -21.741 -10.649 1.00 0.00 C ATOM 561 O ALA A 36 7.510 -20.729 -11.338 1.00 0.00 O ATOM 562 CB ALA A 36 7.145 -23.901 -11.924 1.00 0.00 C ATOM 0 H ALA A 36 5.671 -21.709 -12.632 1.00 0.00 H new ATOM 0 HA ALA A 36 6.075 -23.307 -10.160 1.00 0.00 H new ATOM 0 HB1 ALA A 36 7.967 -24.345 -11.362 1.00 0.00 H new ATOM 0 HB2 ALA A 36 6.426 -24.676 -12.189 1.00 0.00 H new ATOM 0 HB3 ALA A 36 7.533 -23.441 -12.833 1.00 0.00 H new ATOM 568 N ILE A 37 8.226 -21.941 -9.583 1.00 0.00 N ATOM 569 CA ILE A 37 9.065 -20.923 -8.917 1.00 0.00 C ATOM 570 C ILE A 37 9.968 -20.158 -9.896 1.00 0.00 C ATOM 571 O ILE A 37 10.238 -18.979 -9.704 1.00 0.00 O ATOM 572 CB ILE A 37 9.885 -21.590 -7.769 1.00 0.00 C ATOM 573 CG1 ILE A 37 9.131 -21.590 -6.421 1.00 0.00 C ATOM 574 CG2 ILE A 37 11.255 -20.930 -7.494 1.00 0.00 C ATOM 575 CD1 ILE A 37 7.880 -22.472 -6.370 1.00 0.00 C ATOM 0 H ILE A 37 8.302 -22.856 -9.138 1.00 0.00 H new ATOM 0 HA ILE A 37 8.402 -20.172 -8.489 1.00 0.00 H new ATOM 0 HB ILE A 37 10.036 -22.603 -8.142 1.00 0.00 H new ATOM 0 HG12 ILE A 37 9.817 -21.916 -5.640 1.00 0.00 H new ATOM 0 HG13 ILE A 37 8.843 -20.566 -6.185 1.00 0.00 H new ATOM 0 HG21 ILE A 37 11.756 -21.457 -6.682 1.00 0.00 H new ATOM 0 HG22 ILE A 37 11.870 -20.980 -8.393 1.00 0.00 H new ATOM 0 HG23 ILE A 37 11.107 -19.887 -7.213 1.00 0.00 H new ATOM 0 HD11 ILE A 37 7.425 -22.401 -5.382 1.00 0.00 H new ATOM 0 HD12 ILE A 37 7.167 -22.136 -7.123 1.00 0.00 H new ATOM 0 HD13 ILE A 37 8.156 -23.507 -6.569 1.00 0.00 H new ATOM 587 N ALA A 38 10.425 -20.801 -10.964 1.00 0.00 N ATOM 588 CA ALA A 38 11.471 -20.360 -11.884 1.00 0.00 C ATOM 589 C ALA A 38 12.838 -20.102 -11.251 1.00 0.00 C ATOM 590 O ALA A 38 13.838 -20.506 -11.839 1.00 0.00 O ATOM 591 CB ALA A 38 11.044 -19.088 -12.621 1.00 0.00 C ATOM 0 H ALA A 38 10.048 -21.710 -11.231 1.00 0.00 H new ATOM 0 HA ALA A 38 11.592 -21.203 -12.564 1.00 0.00 H new ATOM 0 HB1 ALA A 38 11.838 -18.777 -13.301 1.00 0.00 H new ATOM 0 HB2 ALA A 38 10.135 -19.285 -13.190 1.00 0.00 H new ATOM 0 HB3 ALA A 38 10.855 -18.295 -11.898 1.00 0.00 H new ATOM 597 N ASP A 39 12.907 -19.303 -10.186 1.00 0.00 N ATOM 598 CA ASP A 39 14.125 -18.646 -9.738 1.00 0.00 C ATOM 599 C ASP A 39 13.949 -18.078 -8.327 1.00 0.00 C ATOM 600 O ASP A 39 12.816 -17.855 -7.887 1.00 0.00 O ATOM 601 CB ASP A 39 14.386 -17.469 -10.685 1.00 0.00 C ATOM 602 CG ASP A 39 15.845 -17.054 -10.780 1.00 0.00 C ATOM 603 OD1 ASP A 39 16.731 -17.887 -10.481 1.00 0.00 O ATOM 604 OD2 ASP A 39 16.086 -15.933 -11.292 1.00 0.00 O ATOM 0 H ASP A 39 12.098 -19.093 -9.601 1.00 0.00 H new ATOM 0 HA ASP A 39 14.944 -19.365 -9.734 1.00 0.00 H new ATOM 0 HB2 ASP A 39 14.030 -17.733 -11.681 1.00 0.00 H new ATOM 0 HB3 ASP A 39 13.798 -16.613 -10.353 1.00 0.00 H new ATOM 609 N ILE A 40 15.057 -17.783 -7.647 1.00 0.00 N ATOM 610 CA ILE A 40 15.122 -17.298 -6.267 1.00 0.00 C ATOM 611 C ILE A 40 16.140 -16.145 -6.223 1.00 0.00 C ATOM 612 O ILE A 40 17.200 -16.234 -6.843 1.00 0.00 O ATOM 613 CB ILE A 40 15.547 -18.472 -5.339 1.00 0.00 C ATOM 614 CG1 ILE A 40 14.503 -19.620 -5.249 1.00 0.00 C ATOM 615 CG2 ILE A 40 15.945 -18.002 -3.928 1.00 0.00 C ATOM 616 CD1 ILE A 40 13.470 -19.509 -4.118 1.00 0.00 C ATOM 0 H ILE A 40 15.982 -17.881 -8.065 1.00 0.00 H new ATOM 0 HA ILE A 40 14.155 -16.932 -5.922 1.00 0.00 H new ATOM 0 HB ILE A 40 16.430 -18.886 -5.825 1.00 0.00 H new ATOM 0 HG12 ILE A 40 13.968 -19.672 -6.197 1.00 0.00 H new ATOM 0 HG13 ILE A 40 15.039 -20.562 -5.133 1.00 0.00 H new ATOM 0 HG21 ILE A 40 16.232 -18.863 -3.325 1.00 0.00 H new ATOM 0 HG22 ILE A 40 16.786 -17.312 -3.998 1.00 0.00 H new ATOM 0 HG23 ILE A 40 15.099 -17.497 -3.461 1.00 0.00 H new ATOM 0 HD11 ILE A 40 12.796 -20.365 -4.156 1.00 0.00 H new ATOM 0 HD12 ILE A 40 13.983 -19.493 -3.157 1.00 0.00 H new ATOM 0 HD13 ILE A 40 12.896 -18.590 -4.238 1.00 0.00 H new ATOM 628 N SER A 41 15.844 -15.093 -5.457 1.00 0.00 N ATOM 629 CA SER A 41 16.755 -14.049 -5.027 1.00 0.00 C ATOM 630 C SER A 41 16.513 -13.805 -3.533 1.00 0.00 C ATOM 631 O SER A 41 15.685 -12.959 -3.187 1.00 0.00 O ATOM 632 CB SER A 41 16.460 -12.773 -5.833 1.00 0.00 C ATOM 633 OG SER A 41 17.079 -12.718 -7.105 1.00 0.00 O ATOM 0 H SER A 41 14.899 -14.945 -5.102 1.00 0.00 H new ATOM 0 HA SER A 41 17.794 -14.335 -5.191 1.00 0.00 H new ATOM 0 HB2 SER A 41 15.382 -12.685 -5.965 1.00 0.00 H new ATOM 0 HB3 SER A 41 16.781 -11.910 -5.250 1.00 0.00 H new ATOM 0 HG SER A 41 16.839 -11.878 -7.550 1.00 0.00 H new ATOM 639 N VAL A 42 17.191 -14.531 -2.636 1.00 0.00 N ATOM 640 CA VAL A 42 17.260 -14.128 -1.230 1.00 0.00 C ATOM 641 C VAL A 42 18.479 -13.229 -1.092 1.00 0.00 C ATOM 642 O VAL A 42 19.607 -13.700 -0.944 1.00 0.00 O ATOM 643 CB VAL A 42 17.257 -15.310 -0.243 1.00 0.00 C ATOM 644 CG1 VAL A 42 16.955 -14.813 1.180 1.00 0.00 C ATOM 645 CG2 VAL A 42 16.274 -16.419 -0.629 1.00 0.00 C ATOM 0 H VAL A 42 17.694 -15.391 -2.857 1.00 0.00 H new ATOM 0 HA VAL A 42 16.356 -13.585 -0.955 1.00 0.00 H new ATOM 0 HB VAL A 42 18.255 -15.747 -0.282 1.00 0.00 H new ATOM 0 HG11 VAL A 42 16.956 -15.658 1.868 1.00 0.00 H new ATOM 0 HG12 VAL A 42 17.718 -14.096 1.485 1.00 0.00 H new ATOM 0 HG13 VAL A 42 15.977 -14.332 1.197 1.00 0.00 H new ATOM 0 HG21 VAL A 42 16.322 -17.221 0.108 1.00 0.00 H new ATOM 0 HG22 VAL A 42 15.262 -16.014 -0.659 1.00 0.00 H new ATOM 0 HG23 VAL A 42 16.537 -16.812 -1.611 1.00 0.00 H new ATOM 655 N GLU A 43 18.234 -11.930 -1.213 1.00 0.00 N ATOM 656 CA GLU A 43 19.244 -10.898 -1.092 1.00 0.00 C ATOM 657 C GLU A 43 19.169 -10.322 0.322 1.00 0.00 C ATOM 658 O GLU A 43 18.110 -10.312 0.965 1.00 0.00 O ATOM 659 CB GLU A 43 18.987 -9.817 -2.162 1.00 0.00 C ATOM 660 CG GLU A 43 18.971 -10.352 -3.612 1.00 0.00 C ATOM 661 CD GLU A 43 19.985 -9.660 -4.529 1.00 0.00 C ATOM 662 OE1 GLU A 43 19.816 -8.455 -4.823 1.00 0.00 O ATOM 663 OE2 GLU A 43 20.919 -10.314 -5.045 1.00 0.00 O ATOM 0 H GLU A 43 17.302 -11.561 -1.403 1.00 0.00 H new ATOM 0 HA GLU A 43 20.245 -11.299 -1.254 1.00 0.00 H new ATOM 0 HB2 GLU A 43 18.032 -9.335 -1.954 1.00 0.00 H new ATOM 0 HB3 GLU A 43 19.756 -9.049 -2.078 1.00 0.00 H new ATOM 0 HG2 GLU A 43 19.176 -11.422 -3.598 1.00 0.00 H new ATOM 0 HG3 GLU A 43 17.971 -10.225 -4.027 1.00 0.00 H new ATOM 670 N GLU A 44 20.298 -9.814 0.805 1.00 0.00 N ATOM 671 CA GLU A 44 20.386 -9.010 2.002 1.00 0.00 C ATOM 672 C GLU A 44 19.482 -7.789 1.892 1.00 0.00 C ATOM 673 O GLU A 44 19.257 -7.250 0.804 1.00 0.00 O ATOM 674 CB GLU A 44 21.844 -8.571 2.193 1.00 0.00 C ATOM 675 CG GLU A 44 22.771 -9.737 2.553 1.00 0.00 C ATOM 676 CD GLU A 44 23.380 -10.569 1.421 1.00 0.00 C ATOM 677 OE1 GLU A 44 22.946 -10.499 0.249 1.00 0.00 O ATOM 678 OE2 GLU A 44 24.235 -11.421 1.759 1.00 0.00 O ATOM 0 H GLU A 44 21.201 -9.960 0.354 1.00 0.00 H new ATOM 0 HA GLU A 44 20.059 -9.597 2.860 1.00 0.00 H new ATOM 0 HB2 GLU A 44 22.200 -8.099 1.277 1.00 0.00 H new ATOM 0 HB3 GLU A 44 21.892 -7.818 2.979 1.00 0.00 H new ATOM 0 HG2 GLU A 44 23.592 -9.335 3.146 1.00 0.00 H new ATOM 0 HG3 GLU A 44 22.213 -10.415 3.199 1.00 0.00 H new ATOM 685 N ASN A 45 19.034 -7.296 3.043 1.00 0.00 N ATOM 686 CA ASN A 45 18.451 -5.971 3.113 1.00 0.00 C ATOM 687 C ASN A 45 19.605 -4.965 3.147 1.00 0.00 C ATOM 688 O ASN A 45 20.527 -5.155 3.941 1.00 0.00 O ATOM 689 CB ASN A 45 17.618 -5.855 4.393 1.00 0.00 C ATOM 690 CG ASN A 45 16.503 -4.853 4.215 1.00 0.00 C ATOM 691 OD1 ASN A 45 16.733 -3.672 3.987 1.00 0.00 O ATOM 692 ND2 ASN A 45 15.273 -5.316 4.291 1.00 0.00 N ATOM 0 H ASN A 45 19.065 -7.795 3.932 1.00 0.00 H new ATOM 0 HA ASN A 45 17.804 -5.779 2.257 1.00 0.00 H new ATOM 0 HB2 ASN A 45 17.201 -6.829 4.651 1.00 0.00 H new ATOM 0 HB3 ASN A 45 18.257 -5.552 5.222 1.00 0.00 H new ATOM 0 HD21 ASN A 45 14.482 -4.686 4.159 1.00 0.00 H new ATOM 0 HD22 ASN A 45 15.111 -6.305 4.482 1.00 0.00 H new ATOM 699 N PRO A 46 19.597 -3.875 2.367 1.00 0.00 N ATOM 700 CA PRO A 46 20.595 -2.817 2.524 1.00 0.00 C ATOM 701 C PRO A 46 20.385 -2.008 3.821 1.00 0.00 C ATOM 702 O PRO A 46 21.197 -1.144 4.154 1.00 0.00 O ATOM 703 CB PRO A 46 20.438 -1.951 1.268 1.00 0.00 C ATOM 704 CG PRO A 46 18.975 -2.137 0.868 1.00 0.00 C ATOM 705 CD PRO A 46 18.675 -3.576 1.284 1.00 0.00 C ATOM 0 HA PRO A 46 21.604 -3.218 2.618 1.00 0.00 H new ATOM 0 HB2 PRO A 46 20.665 -0.905 1.474 1.00 0.00 H new ATOM 0 HB3 PRO A 46 21.112 -2.273 0.475 1.00 0.00 H new ATOM 0 HG2 PRO A 46 18.325 -1.427 1.379 1.00 0.00 H new ATOM 0 HG3 PRO A 46 18.829 -1.989 -0.202 1.00 0.00 H new ATOM 0 HD2 PRO A 46 17.640 -3.681 1.611 1.00 0.00 H new ATOM 0 HD3 PRO A 46 18.817 -4.262 0.449 1.00 0.00 H new ATOM 713 N LEU A 47 19.263 -2.205 4.521 1.00 0.00 N ATOM 714 CA LEU A 47 18.749 -1.306 5.552 1.00 0.00 C ATOM 715 C LEU A 47 18.012 -2.113 6.637 1.00 0.00 C ATOM 716 O LEU A 47 16.951 -1.687 7.117 1.00 0.00 O ATOM 717 CB LEU A 47 17.780 -0.347 4.880 1.00 0.00 C ATOM 718 CG LEU A 47 18.479 0.766 4.091 1.00 0.00 C ATOM 719 CD1 LEU A 47 17.501 1.262 3.062 1.00 0.00 C ATOM 720 CD2 LEU A 47 18.862 1.925 5.010 1.00 0.00 C ATOM 0 H LEU A 47 18.670 -3.023 4.378 1.00 0.00 H new ATOM 0 HA LEU A 47 19.566 -0.762 6.026 1.00 0.00 H new ATOM 0 HB2 LEU A 47 17.132 -0.908 4.207 1.00 0.00 H new ATOM 0 HB3 LEU A 47 17.139 0.102 5.639 1.00 0.00 H new ATOM 0 HG LEU A 47 19.389 0.381 3.632 1.00 0.00 H new ATOM 0 HD11 LEU A 47 17.961 2.058 2.477 1.00 0.00 H new ATOM 0 HD12 LEU A 47 17.221 0.442 2.401 1.00 0.00 H new ATOM 0 HD13 LEU A 47 16.611 1.646 3.561 1.00 0.00 H new ATOM 0 HD21 LEU A 47 19.357 2.703 4.428 1.00 0.00 H new ATOM 0 HD22 LEU A 47 17.964 2.334 5.473 1.00 0.00 H new ATOM 0 HD23 LEU A 47 19.539 1.566 5.785 1.00 0.00 H new ATOM 732 N ALA A 48 18.508 -3.283 7.036 1.00 0.00 N ATOM 733 CA ALA A 48 17.755 -4.210 7.882 1.00 0.00 C ATOM 734 C ALA A 48 17.394 -3.600 9.231 1.00 0.00 C ATOM 735 O ALA A 48 16.313 -3.846 9.759 1.00 0.00 O ATOM 736 CB ALA A 48 18.610 -5.440 8.172 1.00 0.00 C ATOM 0 H ALA A 48 19.439 -3.615 6.784 1.00 0.00 H new ATOM 0 HA ALA A 48 16.842 -4.458 7.340 1.00 0.00 H new ATOM 0 HB1 ALA A 48 18.051 -6.132 8.802 1.00 0.00 H new ATOM 0 HB2 ALA A 48 18.869 -5.932 7.235 1.00 0.00 H new ATOM 0 HB3 ALA A 48 19.522 -5.136 8.687 1.00 0.00 H new ATOM 742 N GLN A 49 18.318 -2.828 9.792 1.00 0.00 N ATOM 743 CA GLN A 49 18.263 -2.283 11.145 1.00 0.00 C ATOM 744 C GLN A 49 19.385 -1.243 11.226 1.00 0.00 C ATOM 745 O GLN A 49 20.391 -1.435 11.913 1.00 0.00 O ATOM 746 CB GLN A 49 18.378 -3.434 12.183 1.00 0.00 C ATOM 747 CG GLN A 49 17.095 -3.709 12.989 1.00 0.00 C ATOM 748 CD GLN A 49 16.917 -2.693 14.116 1.00 0.00 C ATOM 749 OE1 GLN A 49 16.523 -1.555 13.879 1.00 0.00 O ATOM 750 NE2 GLN A 49 17.165 -3.057 15.358 1.00 0.00 N ATOM 0 H GLN A 49 19.164 -2.552 9.294 1.00 0.00 H new ATOM 0 HA GLN A 49 17.316 -1.795 11.376 1.00 0.00 H new ATOM 0 HB2 GLN A 49 18.665 -4.347 11.661 1.00 0.00 H new ATOM 0 HB3 GLN A 49 19.183 -3.198 12.879 1.00 0.00 H new ATOM 0 HG2 GLN A 49 16.231 -3.673 12.325 1.00 0.00 H new ATOM 0 HG3 GLN A 49 17.134 -4.715 13.407 1.00 0.00 H new ATOM 0 HE21 GLN A 49 17.492 -4.002 15.557 1.00 0.00 H new ATOM 0 HE22 GLN A 49 17.029 -2.393 16.121 1.00 0.00 H new ATOM 759 N ASP A 50 19.257 -0.193 10.407 1.00 0.00 N ATOM 760 CA ASP A 50 20.372 0.686 10.056 1.00 0.00 C ATOM 761 C ASP A 50 19.866 2.128 9.919 1.00 0.00 C ATOM 762 O ASP A 50 19.527 2.732 10.936 1.00 0.00 O ATOM 763 CB ASP A 50 21.043 0.122 8.793 1.00 0.00 C ATOM 764 CG ASP A 50 22.237 0.963 8.363 1.00 0.00 C ATOM 765 OD1 ASP A 50 23.297 0.876 9.021 1.00 0.00 O ATOM 766 OD2 ASP A 50 22.063 1.712 7.375 1.00 0.00 O ATOM 0 H ASP A 50 18.374 0.070 9.969 1.00 0.00 H new ATOM 0 HA ASP A 50 21.134 0.719 10.835 1.00 0.00 H new ATOM 0 HB2 ASP A 50 21.368 -0.901 8.980 1.00 0.00 H new ATOM 0 HB3 ASP A 50 20.316 0.082 7.982 1.00 0.00 H new ATOM 771 N HIS A 51 19.727 2.694 8.711 1.00 0.00 N ATOM 772 CA HIS A 51 19.370 4.108 8.529 1.00 0.00 C ATOM 773 C HIS A 51 17.965 4.442 9.044 1.00 0.00 C ATOM 774 O HIS A 51 17.746 5.558 9.502 1.00 0.00 O ATOM 775 CB HIS A 51 19.499 4.487 7.042 1.00 0.00 C ATOM 776 CG HIS A 51 19.962 5.896 6.761 1.00 0.00 C ATOM 777 ND1 HIS A 51 20.886 6.227 5.788 1.00 0.00 N ATOM 778 CD2 HIS A 51 19.582 7.048 7.397 1.00 0.00 C ATOM 779 CE1 HIS A 51 21.061 7.560 5.830 1.00 0.00 C ATOM 780 NE2 HIS A 51 20.291 8.077 6.810 1.00 0.00 N ATOM 0 H HIS A 51 19.858 2.186 7.836 1.00 0.00 H new ATOM 0 HA HIS A 51 20.066 4.696 9.126 1.00 0.00 H new ATOM 0 HB2 HIS A 51 20.196 3.795 6.569 1.00 0.00 H new ATOM 0 HB3 HIS A 51 18.530 4.341 6.564 1.00 0.00 H new ATOM 0 HD2 HIS A 51 18.867 7.135 8.201 1.00 0.00 H new ATOM 0 HE1 HIS A 51 21.714 8.126 5.182 1.00 0.00 H new ATOM 0 HE2 HIS A 51 20.241 9.061 7.073 1.00 0.00 H new ATOM 789 N VAL A 52 17.020 3.504 8.953 1.00 0.00 N ATOM 790 CA VAL A 52 15.591 3.672 9.234 1.00 0.00 C ATOM 791 C VAL A 52 15.022 4.901 8.500 1.00 0.00 C ATOM 792 O VAL A 52 14.926 6.010 9.032 1.00 0.00 O ATOM 793 CB VAL A 52 15.326 3.620 10.753 1.00 0.00 C ATOM 794 CG1 VAL A 52 13.821 3.646 11.069 1.00 0.00 C ATOM 795 CG2 VAL A 52 15.911 2.332 11.361 1.00 0.00 C ATOM 0 H VAL A 52 17.244 2.552 8.665 1.00 0.00 H new ATOM 0 HA VAL A 52 15.030 2.832 8.825 1.00 0.00 H new ATOM 0 HB VAL A 52 15.804 4.500 11.183 1.00 0.00 H new ATOM 0 HG11 VAL A 52 13.675 3.608 12.149 1.00 0.00 H new ATOM 0 HG12 VAL A 52 13.382 4.563 10.676 1.00 0.00 H new ATOM 0 HG13 VAL A 52 13.337 2.785 10.607 1.00 0.00 H new ATOM 0 HG21 VAL A 52 15.714 2.314 12.433 1.00 0.00 H new ATOM 0 HG22 VAL A 52 15.447 1.465 10.892 1.00 0.00 H new ATOM 0 HG23 VAL A 52 16.987 2.305 11.189 1.00 0.00 H new ATOM 805 N HIS A 53 14.645 4.706 7.235 1.00 0.00 N ATOM 806 CA HIS A 53 13.919 5.689 6.440 1.00 0.00 C ATOM 807 C HIS A 53 13.050 4.984 5.408 1.00 0.00 C ATOM 808 O HIS A 53 12.988 3.750 5.371 1.00 0.00 O ATOM 809 CB HIS A 53 14.898 6.711 5.816 1.00 0.00 C ATOM 810 CG HIS A 53 14.621 8.100 6.326 1.00 0.00 C ATOM 811 ND1 HIS A 53 14.442 8.427 7.656 1.00 0.00 N ATOM 812 CD2 HIS A 53 14.460 9.236 5.579 1.00 0.00 C ATOM 813 CE1 HIS A 53 14.144 9.735 7.709 1.00 0.00 C ATOM 814 NE2 HIS A 53 14.176 10.255 6.468 1.00 0.00 N ATOM 0 H HIS A 53 14.841 3.843 6.728 1.00 0.00 H new ATOM 0 HA HIS A 53 13.248 6.260 7.082 1.00 0.00 H new ATOM 0 HB2 HIS A 53 15.924 6.430 6.054 1.00 0.00 H new ATOM 0 HB3 HIS A 53 14.806 6.693 4.730 1.00 0.00 H new ATOM 0 HD1 HIS A 53 14.521 7.792 8.451 1.00 0.00 H new ATOM 0 HD2 HIS A 53 14.539 9.319 4.505 1.00 0.00 H new ATOM 0 HE1 HIS A 53 13.914 10.285 8.609 1.00 0.00 H new ATOM 823 N GLY A 54 12.365 5.737 4.549 1.00 0.00 N ATOM 824 CA GLY A 54 11.572 5.215 3.444 1.00 0.00 C ATOM 825 C GLY A 54 12.401 4.563 2.333 1.00 0.00 C ATOM 826 O GLY A 54 11.903 4.440 1.218 1.00 0.00 O ATOM 0 H GLY A 54 12.348 6.755 4.607 1.00 0.00 H new ATOM 0 HA2 GLY A 54 10.865 4.482 3.833 1.00 0.00 H new ATOM 0 HA3 GLY A 54 10.986 6.028 3.016 1.00 0.00 H new ATOM 830 N ALA A 55 13.636 4.127 2.600 1.00 0.00 N ATOM 831 CA ALA A 55 14.555 3.596 1.605 1.00 0.00 C ATOM 832 C ALA A 55 14.593 2.062 1.552 1.00 0.00 C ATOM 833 O ALA A 55 14.962 1.520 0.512 1.00 0.00 O ATOM 834 CB ALA A 55 15.935 4.160 1.899 1.00 0.00 C ATOM 0 H ALA A 55 14.029 4.137 3.541 1.00 0.00 H new ATOM 0 HA ALA A 55 14.203 3.903 0.620 1.00 0.00 H new ATOM 0 HB1 ALA A 55 16.647 3.779 1.167 1.00 0.00 H new ATOM 0 HB2 ALA A 55 15.903 5.248 1.841 1.00 0.00 H new ATOM 0 HB3 ALA A 55 16.246 3.859 2.899 1.00 0.00 H new ATOM 840 N VAL A 56 14.159 1.358 2.611 1.00 0.00 N ATOM 841 CA VAL A 56 13.925 -0.095 2.568 1.00 0.00 C ATOM 842 C VAL A 56 13.031 -0.437 1.360 1.00 0.00 C ATOM 843 O VAL A 56 13.410 -1.294 0.568 1.00 0.00 O ATOM 844 CB VAL A 56 13.318 -0.601 3.907 1.00 0.00 C ATOM 845 CG1 VAL A 56 12.323 -1.771 3.811 1.00 0.00 C ATOM 846 CG2 VAL A 56 14.409 -0.984 4.894 1.00 0.00 C ATOM 0 H VAL A 56 13.961 1.779 3.519 1.00 0.00 H new ATOM 0 HA VAL A 56 14.877 -0.611 2.443 1.00 0.00 H new ATOM 0 HB VAL A 56 12.741 0.258 4.250 1.00 0.00 H new ATOM 0 HG11 VAL A 56 11.971 -2.032 4.809 1.00 0.00 H new ATOM 0 HG12 VAL A 56 11.475 -1.478 3.192 1.00 0.00 H new ATOM 0 HG13 VAL A 56 12.817 -2.633 3.364 1.00 0.00 H new ATOM 0 HG21 VAL A 56 13.955 -1.334 5.821 1.00 0.00 H new ATOM 0 HG22 VAL A 56 15.022 -1.778 4.468 1.00 0.00 H new ATOM 0 HG23 VAL A 56 15.033 -0.115 5.102 1.00 0.00 H new ATOM 856 N PRO A 57 11.851 0.196 1.197 1.00 0.00 N ATOM 857 CA PRO A 57 10.994 -0.058 0.056 1.00 0.00 C ATOM 858 C PRO A 57 11.562 0.543 -1.228 1.00 0.00 C ATOM 859 O PRO A 57 11.370 -0.045 -2.287 1.00 0.00 O ATOM 860 CB PRO A 57 9.649 0.551 0.411 1.00 0.00 C ATOM 861 CG PRO A 57 9.910 1.579 1.503 1.00 0.00 C ATOM 862 CD PRO A 57 11.296 1.255 2.022 1.00 0.00 C ATOM 0 HA PRO A 57 10.909 -1.126 -0.143 1.00 0.00 H new ATOM 0 HB2 PRO A 57 9.194 1.020 -0.461 1.00 0.00 H new ATOM 0 HB3 PRO A 57 8.956 -0.216 0.758 1.00 0.00 H new ATOM 0 HG2 PRO A 57 9.863 2.594 1.109 1.00 0.00 H new ATOM 0 HG3 PRO A 57 9.165 1.510 2.296 1.00 0.00 H new ATOM 0 HD2 PRO A 57 11.932 2.139 1.985 1.00 0.00 H new ATOM 0 HD3 PRO A 57 11.248 0.940 3.064 1.00 0.00 H new ATOM 870 N ASN A 58 12.279 1.673 -1.156 1.00 0.00 N ATOM 871 CA ASN A 58 12.864 2.284 -2.349 1.00 0.00 C ATOM 872 C ASN A 58 13.787 1.297 -3.073 1.00 0.00 C ATOM 873 O ASN A 58 13.760 1.228 -4.299 1.00 0.00 O ATOM 874 CB ASN A 58 13.578 3.598 -2.020 1.00 0.00 C ATOM 875 CG ASN A 58 13.830 4.405 -3.288 1.00 0.00 C ATOM 876 OD1 ASN A 58 12.919 5.061 -3.790 1.00 0.00 O ATOM 877 ND2 ASN A 58 15.033 4.390 -3.835 1.00 0.00 N ATOM 0 H ASN A 58 12.465 2.177 -0.289 1.00 0.00 H new ATOM 0 HA ASN A 58 12.049 2.532 -3.030 1.00 0.00 H new ATOM 0 HB2 ASN A 58 12.974 4.182 -1.325 1.00 0.00 H new ATOM 0 HB3 ASN A 58 14.525 3.389 -1.522 1.00 0.00 H new ATOM 0 HD21 ASN A 58 15.214 4.927 -4.683 1.00 0.00 H new ATOM 0 HD22 ASN A 58 15.780 3.842 -3.409 1.00 0.00 H new ATOM 884 N PHE A 59 14.542 0.494 -2.312 1.00 0.00 N ATOM 885 CA PHE A 59 15.316 -0.641 -2.807 1.00 0.00 C ATOM 886 C PHE A 59 14.413 -1.650 -3.525 1.00 0.00 C ATOM 887 O PHE A 59 14.547 -1.822 -4.729 1.00 0.00 O ATOM 888 CB PHE A 59 16.119 -1.267 -1.653 1.00 0.00 C ATOM 889 CG PHE A 59 16.598 -2.691 -1.884 1.00 0.00 C ATOM 890 CD1 PHE A 59 17.571 -2.966 -2.863 1.00 0.00 C ATOM 891 CD2 PHE A 59 16.084 -3.745 -1.103 1.00 0.00 C ATOM 892 CE1 PHE A 59 18.030 -4.280 -3.057 1.00 0.00 C ATOM 893 CE2 PHE A 59 16.557 -5.057 -1.292 1.00 0.00 C ATOM 894 CZ PHE A 59 17.525 -5.326 -2.268 1.00 0.00 C ATOM 0 H PHE A 59 14.631 0.624 -1.304 1.00 0.00 H new ATOM 0 HA PHE A 59 16.033 -0.296 -3.552 1.00 0.00 H new ATOM 0 HB2 PHE A 59 16.987 -0.638 -1.455 1.00 0.00 H new ATOM 0 HB3 PHE A 59 15.502 -1.251 -0.754 1.00 0.00 H new ATOM 0 HD1 PHE A 59 17.967 -2.164 -3.468 1.00 0.00 H new ATOM 0 HD2 PHE A 59 15.327 -3.546 -0.359 1.00 0.00 H new ATOM 0 HE1 PHE A 59 18.772 -4.486 -3.814 1.00 0.00 H new ATOM 0 HE2 PHE A 59 16.172 -5.860 -0.682 1.00 0.00 H new ATOM 0 HZ PHE A 59 17.882 -6.335 -2.413 1.00 0.00 H new ATOM 904 N VAL A 60 13.481 -2.316 -2.834 1.00 0.00 N ATOM 905 CA VAL A 60 12.684 -3.391 -3.442 1.00 0.00 C ATOM 906 C VAL A 60 11.811 -2.928 -4.630 1.00 0.00 C ATOM 907 O VAL A 60 11.446 -3.727 -5.491 1.00 0.00 O ATOM 908 CB VAL A 60 11.855 -4.132 -2.376 1.00 0.00 C ATOM 909 CG1 VAL A 60 12.714 -5.083 -1.523 1.00 0.00 C ATOM 910 CG2 VAL A 60 11.118 -3.207 -1.428 1.00 0.00 C ATOM 0 H VAL A 60 13.259 -2.131 -1.856 1.00 0.00 H new ATOM 0 HA VAL A 60 13.399 -4.092 -3.872 1.00 0.00 H new ATOM 0 HB VAL A 60 11.127 -4.697 -2.958 1.00 0.00 H new ATOM 0 HG11 VAL A 60 12.083 -5.581 -0.787 1.00 0.00 H new ATOM 0 HG12 VAL A 60 13.179 -5.829 -2.167 1.00 0.00 H new ATOM 0 HG13 VAL A 60 13.489 -4.513 -1.011 1.00 0.00 H new ATOM 0 HG21 VAL A 60 10.556 -3.799 -0.706 1.00 0.00 H new ATOM 0 HG22 VAL A 60 11.836 -2.578 -0.902 1.00 0.00 H new ATOM 0 HG23 VAL A 60 10.431 -2.578 -1.994 1.00 0.00 H new ATOM 920 N LYS A 61 11.484 -1.641 -4.726 1.00 0.00 N ATOM 921 CA LYS A 61 10.844 -1.021 -5.888 1.00 0.00 C ATOM 922 C LYS A 61 11.757 -0.907 -7.117 1.00 0.00 C ATOM 923 O LYS A 61 11.256 -0.637 -8.205 1.00 0.00 O ATOM 924 CB LYS A 61 10.290 0.362 -5.520 1.00 0.00 C ATOM 925 CG LYS A 61 9.042 0.377 -4.610 1.00 0.00 C ATOM 926 CD LYS A 61 8.710 1.805 -4.164 1.00 0.00 C ATOM 927 CE LYS A 61 7.979 2.630 -5.238 1.00 0.00 C ATOM 928 NZ LYS A 61 8.845 3.110 -6.335 1.00 0.00 N ATOM 0 H LYS A 61 11.663 -0.977 -3.972 1.00 0.00 H new ATOM 0 HA LYS A 61 10.031 -1.690 -6.170 1.00 0.00 H new ATOM 0 HB2 LYS A 61 11.081 0.927 -5.027 1.00 0.00 H new ATOM 0 HB3 LYS A 61 10.048 0.891 -6.442 1.00 0.00 H new ATOM 0 HG2 LYS A 61 8.192 -0.049 -5.144 1.00 0.00 H new ATOM 0 HG3 LYS A 61 9.216 -0.250 -3.736 1.00 0.00 H new ATOM 0 HD2 LYS A 61 8.092 1.762 -3.267 1.00 0.00 H new ATOM 0 HD3 LYS A 61 9.633 2.316 -3.891 1.00 0.00 H new ATOM 0 HE2 LYS A 61 7.179 2.023 -5.662 1.00 0.00 H new ATOM 0 HE3 LYS A 61 7.509 3.490 -4.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 8.553 4.069 -6.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 9.834 3.129 -6.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 8.758 2.471 -7.151 1.00 0.00 H new ATOM 942 N GLU A 62 13.064 -1.121 -6.992 1.00 0.00 N ATOM 943 CA GLU A 62 13.952 -1.332 -8.134 1.00 0.00 C ATOM 944 C GLU A 62 14.043 -2.830 -8.451 1.00 0.00 C ATOM 945 O GLU A 62 14.385 -3.219 -9.561 1.00 0.00 O ATOM 946 CB GLU A 62 15.318 -0.669 -7.867 1.00 0.00 C ATOM 947 CG GLU A 62 16.466 -1.588 -7.410 1.00 0.00 C ATOM 948 CD GLU A 62 17.363 -2.129 -8.536 1.00 0.00 C ATOM 949 OE1 GLU A 62 17.067 -1.952 -9.743 1.00 0.00 O ATOM 950 OE2 GLU A 62 18.457 -2.643 -8.212 1.00 0.00 O ATOM 0 H GLU A 62 13.541 -1.153 -6.091 1.00 0.00 H new ATOM 0 HA GLU A 62 13.549 -0.852 -9.026 1.00 0.00 H new ATOM 0 HB2 GLU A 62 15.633 -0.163 -8.780 1.00 0.00 H new ATOM 0 HB3 GLU A 62 15.178 0.101 -7.108 1.00 0.00 H new ATOM 0 HG2 GLU A 62 17.089 -1.040 -6.703 1.00 0.00 H new ATOM 0 HG3 GLU A 62 16.040 -2.433 -6.870 1.00 0.00 H new ATOM 957 N LYS A 63 13.689 -3.716 -7.515 1.00 0.00 N ATOM 958 CA LYS A 63 13.847 -5.160 -7.677 1.00 0.00 C ATOM 959 C LYS A 63 12.665 -5.765 -8.436 1.00 0.00 C ATOM 960 O LYS A 63 12.274 -6.894 -8.151 1.00 0.00 O ATOM 961 CB LYS A 63 14.056 -5.804 -6.293 1.00 0.00 C ATOM 962 CG LYS A 63 15.250 -5.237 -5.507 1.00 0.00 C ATOM 963 CD LYS A 63 16.616 -5.488 -6.158 1.00 0.00 C ATOM 964 CE LYS A 63 17.053 -6.932 -5.871 1.00 0.00 C ATOM 965 NZ LYS A 63 18.170 -7.406 -6.711 1.00 0.00 N ATOM 0 H LYS A 63 13.282 -3.447 -6.619 1.00 0.00 H new ATOM 0 HA LYS A 63 14.729 -5.366 -8.284 1.00 0.00 H new ATOM 0 HB2 LYS A 63 13.150 -5.670 -5.702 1.00 0.00 H new ATOM 0 HB3 LYS A 63 14.197 -6.877 -6.422 1.00 0.00 H new ATOM 0 HG2 LYS A 63 15.112 -4.163 -5.385 1.00 0.00 H new ATOM 0 HG3 LYS A 63 15.252 -5.674 -4.508 1.00 0.00 H new ATOM 0 HD2 LYS A 63 16.556 -5.320 -7.233 1.00 0.00 H new ATOM 0 HD3 LYS A 63 17.353 -4.787 -5.766 1.00 0.00 H new ATOM 0 HE2 LYS A 63 17.343 -7.010 -4.823 1.00 0.00 H new ATOM 0 HE3 LYS A 63 16.199 -7.593 -6.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 18.897 -7.842 -6.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 17.818 -8.109 -7.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 18.583 -6.602 -7.226 1.00 0.00 H new ATOM 979 N GLY A 64 12.161 -5.052 -9.445 1.00 0.00 N ATOM 980 CA GLY A 64 11.309 -5.533 -10.533 1.00 0.00 C ATOM 981 C GLY A 64 10.011 -6.235 -10.117 1.00 0.00 C ATOM 982 O GLY A 64 9.477 -7.017 -10.907 1.00 0.00 O ATOM 0 H GLY A 64 12.351 -4.053 -9.529 1.00 0.00 H new ATOM 0 HA2 GLY A 64 11.052 -4.685 -11.167 1.00 0.00 H new ATOM 0 HA3 GLY A 64 11.891 -6.223 -11.144 1.00 0.00 H new ATOM 986 N ALA A 65 9.542 -6.050 -8.881 1.00 0.00 N ATOM 987 CA ALA A 65 8.608 -6.964 -8.237 1.00 0.00 C ATOM 988 C ALA A 65 7.147 -6.803 -8.669 1.00 0.00 C ATOM 989 O ALA A 65 6.818 -5.914 -9.453 1.00 0.00 O ATOM 990 CB ALA A 65 8.782 -6.835 -6.728 1.00 0.00 C ATOM 0 H ALA A 65 9.804 -5.255 -8.298 1.00 0.00 H new ATOM 0 HA ALA A 65 8.853 -7.974 -8.566 1.00 0.00 H new ATOM 0 HB1 ALA A 65 8.092 -7.511 -6.223 1.00 0.00 H new ATOM 0 HB2 ALA A 65 9.806 -7.092 -6.456 1.00 0.00 H new ATOM 0 HB3 ALA A 65 8.573 -5.809 -6.424 1.00 0.00 H new ATOM 996 N GLU A 66 6.265 -7.668 -8.149 1.00 0.00 N ATOM 997 CA GLU A 66 4.835 -7.684 -8.458 1.00 0.00 C ATOM 998 C GLU A 66 4.020 -8.062 -7.220 1.00 0.00 C ATOM 999 O GLU A 66 3.101 -7.330 -6.875 1.00 0.00 O ATOM 1000 CB GLU A 66 4.541 -8.677 -9.582 1.00 0.00 C ATOM 1001 CG GLU A 66 4.506 -8.024 -10.965 1.00 0.00 C ATOM 1002 CD GLU A 66 4.337 -9.091 -12.049 1.00 0.00 C ATOM 1003 OE1 GLU A 66 3.313 -9.803 -12.042 1.00 0.00 O ATOM 1004 OE2 GLU A 66 5.330 -9.377 -12.758 1.00 0.00 O ATOM 0 H GLU A 66 6.537 -8.393 -7.485 1.00 0.00 H new ATOM 0 HA GLU A 66 4.550 -6.683 -8.780 1.00 0.00 H new ATOM 0 HB2 GLU A 66 5.300 -9.459 -9.575 1.00 0.00 H new ATOM 0 HB3 GLU A 66 3.583 -9.160 -9.391 1.00 0.00 H new ATOM 0 HG2 GLU A 66 3.685 -7.309 -11.017 1.00 0.00 H new ATOM 0 HG3 GLU A 66 5.426 -7.465 -11.135 1.00 0.00 H new ATOM 1011 N LEU A 67 4.321 -9.184 -6.557 1.00 0.00 N ATOM 1012 CA LEU A 67 3.643 -9.639 -5.346 1.00 0.00 C ATOM 1013 C LEU A 67 4.595 -9.509 -4.151 1.00 0.00 C ATOM 1014 O LEU A 67 5.823 -9.523 -4.287 1.00 0.00 O ATOM 1015 CB LEU A 67 3.106 -11.089 -5.535 1.00 0.00 C ATOM 1016 CG LEU A 67 2.354 -11.702 -4.332 1.00 0.00 C ATOM 1017 CD1 LEU A 67 1.027 -10.999 -4.062 1.00 0.00 C ATOM 1018 CD2 LEU A 67 2.024 -13.169 -4.589 1.00 0.00 C ATOM 0 H LEU A 67 5.063 -9.815 -6.859 1.00 0.00 H new ATOM 0 HA LEU A 67 2.774 -9.012 -5.145 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.438 -11.097 -6.396 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.948 -11.737 -5.778 1.00 0.00 H new ATOM 0 HG LEU A 67 3.020 -11.586 -3.477 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.536 -11.465 -3.208 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.210 -9.947 -3.845 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.386 -11.083 -4.940 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.495 -13.579 -3.729 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.394 -13.250 -5.475 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.947 -13.727 -4.747 1.00 0.00 H new ATOM 1030 N VAL A 68 4.026 -9.422 -2.958 1.00 0.00 N ATOM 1031 CA VAL A 68 4.683 -9.441 -1.666 1.00 0.00 C ATOM 1032 C VAL A 68 3.820 -10.362 -0.793 1.00 0.00 C ATOM 1033 O VAL A 68 2.594 -10.320 -0.897 1.00 0.00 O ATOM 1034 CB VAL A 68 4.764 -7.996 -1.113 1.00 0.00 C ATOM 1035 CG1 VAL A 68 5.831 -7.888 -0.024 1.00 0.00 C ATOM 1036 CG2 VAL A 68 5.114 -6.930 -2.167 1.00 0.00 C ATOM 0 H VAL A 68 3.015 -9.329 -2.865 1.00 0.00 H new ATOM 0 HA VAL A 68 5.708 -9.809 -1.703 1.00 0.00 H new ATOM 0 HB VAL A 68 3.760 -7.801 -0.735 1.00 0.00 H new ATOM 0 HG11 VAL A 68 5.869 -6.864 0.348 1.00 0.00 H new ATOM 0 HG12 VAL A 68 5.584 -8.563 0.795 1.00 0.00 H new ATOM 0 HG13 VAL A 68 6.802 -8.159 -0.438 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.150 -5.949 -1.694 1.00 0.00 H new ATOM 0 HG22 VAL A 68 6.086 -7.157 -2.605 1.00 0.00 H new ATOM 0 HG23 VAL A 68 4.355 -6.928 -2.949 1.00 0.00 H new ATOM 1046 N ILE A 69 4.429 -11.208 0.037 1.00 0.00 N ATOM 1047 CA ILE A 69 3.765 -12.129 0.948 1.00 0.00 C ATOM 1048 C ILE A 69 4.434 -11.952 2.311 1.00 0.00 C ATOM 1049 O ILE A 69 5.617 -12.244 2.479 1.00 0.00 O ATOM 1050 CB ILE A 69 3.804 -13.583 0.433 1.00 0.00 C ATOM 1051 CG1 ILE A 69 3.036 -13.744 -0.900 1.00 0.00 C ATOM 1052 CG2 ILE A 69 3.193 -14.486 1.516 1.00 0.00 C ATOM 1053 CD1 ILE A 69 3.167 -15.131 -1.545 1.00 0.00 C ATOM 0 H ILE A 69 5.446 -11.270 0.092 1.00 0.00 H new ATOM 0 HA ILE A 69 2.701 -11.905 1.027 1.00 0.00 H new ATOM 0 HB ILE A 69 4.838 -13.865 0.234 1.00 0.00 H new ATOM 0 HG12 ILE A 69 1.980 -13.537 -0.724 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.395 -12.994 -1.605 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.208 -15.522 1.177 1.00 0.00 H new ATOM 0 HG22 ILE A 69 3.773 -14.396 2.434 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.164 -14.181 1.706 1.00 0.00 H new ATOM 0 HD11 ILE A 69 2.598 -15.155 -2.474 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.216 -15.336 -1.757 1.00 0.00 H new ATOM 0 HD13 ILE A 69 2.780 -15.888 -0.863 1.00 0.00 H new ATOM 1065 N VAL A 70 3.699 -11.398 3.271 1.00 0.00 N ATOM 1066 CA VAL A 70 4.257 -10.827 4.495 1.00 0.00 C ATOM 1067 C VAL A 70 3.417 -11.226 5.709 1.00 0.00 C ATOM 1068 O VAL A 70 2.216 -11.473 5.600 1.00 0.00 O ATOM 1069 CB VAL A 70 4.322 -9.293 4.329 1.00 0.00 C ATOM 1070 CG1 VAL A 70 5.519 -8.882 3.461 1.00 0.00 C ATOM 1071 CG2 VAL A 70 3.032 -8.717 3.724 1.00 0.00 C ATOM 0 H VAL A 70 2.682 -11.332 3.220 1.00 0.00 H new ATOM 0 HA VAL A 70 5.262 -11.213 4.666 1.00 0.00 H new ATOM 0 HB VAL A 70 4.441 -8.881 5.331 1.00 0.00 H new ATOM 0 HG11 VAL A 70 5.540 -7.797 3.361 1.00 0.00 H new ATOM 0 HG12 VAL A 70 6.442 -9.221 3.930 1.00 0.00 H new ATOM 0 HG13 VAL A 70 5.426 -9.336 2.474 1.00 0.00 H new ATOM 0 HG21 VAL A 70 3.127 -7.635 3.627 1.00 0.00 H new ATOM 0 HG22 VAL A 70 2.864 -9.156 2.741 1.00 0.00 H new ATOM 0 HG23 VAL A 70 2.189 -8.951 4.375 1.00 0.00 H new ATOM 1081 N ARG A 71 4.010 -11.236 6.904 1.00 0.00 N ATOM 1082 CA ARG A 71 3.303 -11.684 8.101 1.00 0.00 C ATOM 1083 C ARG A 71 2.692 -10.506 8.856 1.00 0.00 C ATOM 1084 O ARG A 71 1.465 -10.380 8.901 1.00 0.00 O ATOM 1085 CB ARG A 71 4.253 -12.553 8.921 1.00 0.00 C ATOM 1086 CG ARG A 71 3.511 -13.342 10.000 1.00 0.00 C ATOM 1087 CD ARG A 71 4.327 -14.556 10.455 1.00 0.00 C ATOM 1088 NE ARG A 71 3.441 -15.557 11.051 1.00 0.00 N ATOM 1089 CZ ARG A 71 3.340 -15.930 12.328 1.00 0.00 C ATOM 1090 NH1 ARG A 71 4.091 -15.382 13.278 1.00 0.00 N ATOM 1091 NH2 ARG A 71 2.501 -16.897 12.658 1.00 0.00 N ATOM 0 H ARG A 71 4.973 -10.940 7.067 1.00 0.00 H new ATOM 0 HA ARG A 71 2.444 -12.303 7.843 1.00 0.00 H new ATOM 0 HB2 ARG A 71 4.776 -13.244 8.260 1.00 0.00 H new ATOM 0 HB3 ARG A 71 5.011 -11.923 9.387 1.00 0.00 H new ATOM 0 HG2 ARG A 71 3.309 -12.695 10.854 1.00 0.00 H new ATOM 0 HG3 ARG A 71 2.546 -13.672 9.615 1.00 0.00 H new ATOM 0 HD2 ARG A 71 4.858 -14.987 9.606 1.00 0.00 H new ATOM 0 HD3 ARG A 71 5.081 -14.248 11.179 1.00 0.00 H new ATOM 0 HE ARG A 71 2.816 -16.034 10.402 1.00 0.00 H new ATOM 0 HH11 ARG A 71 4.766 -14.656 13.039 1.00 0.00 H new ATOM 0 HH12 ARG A 71 3.992 -15.687 14.246 1.00 0.00 H new ATOM 0 HH21 ARG A 71 1.938 -17.351 11.939 1.00 0.00 H new ATOM 0 HH22 ARG A 71 2.417 -17.189 13.632 1.00 0.00 H new ATOM 1105 N GLY A 72 3.512 -9.575 9.344 1.00 0.00 N ATOM 1106 CA GLY A 72 3.032 -8.454 10.148 1.00 0.00 C ATOM 1107 C GLY A 72 2.814 -7.166 9.350 1.00 0.00 C ATOM 1108 O GLY A 72 1.722 -6.596 9.397 1.00 0.00 O ATOM 0 H GLY A 72 4.521 -9.577 9.194 1.00 0.00 H new ATOM 0 HA2 GLY A 72 2.094 -8.737 10.625 1.00 0.00 H new ATOM 0 HA3 GLY A 72 3.749 -8.259 10.946 1.00 0.00 H new ATOM 1112 N ILE A 73 3.861 -6.730 8.639 1.00 0.00 N ATOM 1113 CA ILE A 73 4.035 -5.484 7.873 1.00 0.00 C ATOM 1114 C ILE A 73 3.543 -4.197 8.587 1.00 0.00 C ATOM 1115 O ILE A 73 3.409 -4.182 9.810 1.00 0.00 O ATOM 1116 CB ILE A 73 3.566 -5.676 6.390 1.00 0.00 C ATOM 1117 CG1 ILE A 73 4.251 -4.666 5.445 1.00 0.00 C ATOM 1118 CG2 ILE A 73 2.042 -5.599 6.130 1.00 0.00 C ATOM 1119 CD1 ILE A 73 4.480 -5.202 4.036 1.00 0.00 C ATOM 0 H ILE A 73 4.702 -7.304 8.578 1.00 0.00 H new ATOM 0 HA ILE A 73 5.105 -5.281 7.824 1.00 0.00 H new ATOM 0 HB ILE A 73 3.866 -6.703 6.184 1.00 0.00 H new ATOM 0 HG12 ILE A 73 3.640 -3.765 5.387 1.00 0.00 H new ATOM 0 HG13 ILE A 73 5.210 -4.374 5.873 1.00 0.00 H new ATOM 0 HG21 ILE A 73 1.846 -5.747 5.068 1.00 0.00 H new ATOM 0 HG22 ILE A 73 1.535 -6.375 6.704 1.00 0.00 H new ATOM 0 HG23 ILE A 73 1.670 -4.621 6.434 1.00 0.00 H new ATOM 0 HD11 ILE A 73 4.965 -4.437 3.430 1.00 0.00 H new ATOM 0 HD12 ILE A 73 5.116 -6.086 4.082 1.00 0.00 H new ATOM 0 HD13 ILE A 73 3.523 -5.467 3.588 1.00 0.00 H new ATOM 1131 N GLY A 74 3.439 -3.062 7.884 1.00 0.00 N ATOM 1132 CA GLY A 74 3.006 -1.763 8.396 1.00 0.00 C ATOM 1133 C GLY A 74 2.863 -0.755 7.248 1.00 0.00 C ATOM 1134 O GLY A 74 3.310 -1.025 6.126 1.00 0.00 O ATOM 0 H GLY A 74 3.668 -3.027 6.891 1.00 0.00 H new ATOM 0 HA2 GLY A 74 2.054 -1.869 8.916 1.00 0.00 H new ATOM 0 HA3 GLY A 74 3.727 -1.394 9.125 1.00 0.00 H new ATOM 1138 N ARG A 75 2.229 0.393 7.509 1.00 0.00 N ATOM 1139 CA ARG A 75 1.712 1.278 6.461 1.00 0.00 C ATOM 1140 C ARG A 75 2.789 1.878 5.549 1.00 0.00 C ATOM 1141 O ARG A 75 2.491 2.117 4.381 1.00 0.00 O ATOM 1142 CB ARG A 75 0.794 2.359 7.069 1.00 0.00 C ATOM 1143 CG ARG A 75 0.177 3.350 6.056 1.00 0.00 C ATOM 1144 CD ARG A 75 -0.719 2.719 4.974 1.00 0.00 C ATOM 1145 NE ARG A 75 -2.143 3.012 5.193 1.00 0.00 N ATOM 1146 CZ ARG A 75 -2.850 4.023 4.670 1.00 0.00 C ATOM 1147 NH1 ARG A 75 -2.350 4.844 3.742 1.00 0.00 N ATOM 1148 NH2 ARG A 75 -4.070 4.217 5.140 1.00 0.00 N ATOM 0 H ARG A 75 2.060 0.735 8.455 1.00 0.00 H new ATOM 0 HA ARG A 75 1.119 0.649 5.798 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -0.015 1.864 7.607 1.00 0.00 H new ATOM 0 HB3 ARG A 75 1.366 2.926 7.804 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -0.410 4.086 6.605 1.00 0.00 H new ATOM 0 HG3 ARG A 75 0.986 3.890 5.564 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -0.420 3.091 3.994 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -0.569 1.639 4.964 1.00 0.00 H new ATOM 0 HE ARG A 75 -2.648 2.376 5.810 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -1.396 4.713 3.406 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -2.922 5.602 3.370 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -4.437 3.609 5.872 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -4.644 4.975 4.771 1.00 0.00 H new ATOM 1162 N ARG A 76 4.016 2.148 6.010 1.00 0.00 N ATOM 1163 CA ARG A 76 5.048 2.703 5.115 1.00 0.00 C ATOM 1164 C ARG A 76 5.388 1.685 4.031 1.00 0.00 C ATOM 1165 O ARG A 76 5.660 2.081 2.903 1.00 0.00 O ATOM 1166 CB ARG A 76 6.312 3.123 5.894 1.00 0.00 C ATOM 1167 CG ARG A 76 7.450 3.702 5.018 1.00 0.00 C ATOM 1168 CD ARG A 76 7.184 5.113 4.468 1.00 0.00 C ATOM 1169 NE ARG A 76 7.310 6.120 5.536 1.00 0.00 N ATOM 1170 CZ ARG A 76 6.625 7.261 5.654 1.00 0.00 C ATOM 1171 NH1 ARG A 76 5.832 7.695 4.688 1.00 0.00 N ATOM 1172 NH2 ARG A 76 6.737 7.977 6.765 1.00 0.00 N ATOM 0 H ARG A 76 4.318 1.997 6.973 1.00 0.00 H new ATOM 0 HA ARG A 76 4.649 3.603 4.647 1.00 0.00 H new ATOM 0 HB2 ARG A 76 6.032 3.867 6.640 1.00 0.00 H new ATOM 0 HB3 ARG A 76 6.693 2.257 6.435 1.00 0.00 H new ATOM 0 HG2 ARG A 76 8.368 3.723 5.606 1.00 0.00 H new ATOM 0 HG3 ARG A 76 7.624 3.027 4.180 1.00 0.00 H new ATOM 0 HD2 ARG A 76 7.889 5.335 3.667 1.00 0.00 H new ATOM 0 HD3 ARG A 76 6.185 5.158 4.035 1.00 0.00 H new ATOM 0 HE ARG A 76 7.996 5.925 6.266 1.00 0.00 H new ATOM 0 HH11 ARG A 76 5.733 7.155 3.828 1.00 0.00 H new ATOM 0 HH12 ARG A 76 5.320 8.570 4.803 1.00 0.00 H new ATOM 0 HH21 ARG A 76 7.342 7.655 7.520 1.00 0.00 H new ATOM 0 HH22 ARG A 76 6.218 8.849 6.864 1.00 0.00 H new ATOM 1186 N ALA A 77 5.397 0.394 4.362 1.00 0.00 N ATOM 1187 CA ALA A 77 5.673 -0.638 3.381 1.00 0.00 C ATOM 1188 C ALA A 77 4.478 -0.815 2.450 1.00 0.00 C ATOM 1189 O ALA A 77 4.694 -0.875 1.245 1.00 0.00 O ATOM 1190 CB ALA A 77 6.045 -1.929 4.088 1.00 0.00 C ATOM 0 H ALA A 77 5.216 0.045 5.303 1.00 0.00 H new ATOM 0 HA ALA A 77 6.520 -0.342 2.763 1.00 0.00 H new ATOM 0 HB1 ALA A 77 6.252 -2.702 3.348 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.932 -1.766 4.700 1.00 0.00 H new ATOM 0 HB3 ALA A 77 5.219 -2.247 4.724 1.00 0.00 H new ATOM 1196 N ILE A 78 3.232 -0.784 2.951 1.00 0.00 N ATOM 1197 CA ILE A 78 2.067 -0.708 2.082 1.00 0.00 C ATOM 1198 C ILE A 78 2.250 0.444 1.068 1.00 0.00 C ATOM 1199 O ILE A 78 2.024 0.259 -0.120 1.00 0.00 O ATOM 1200 CB ILE A 78 0.797 -0.586 2.956 1.00 0.00 C ATOM 1201 CG1 ILE A 78 0.211 -1.956 3.340 1.00 0.00 C ATOM 1202 CG2 ILE A 78 -0.347 0.234 2.330 1.00 0.00 C ATOM 1203 CD1 ILE A 78 1.165 -3.037 3.850 1.00 0.00 C ATOM 0 H ILE A 78 3.016 -0.811 3.947 1.00 0.00 H new ATOM 0 HA ILE A 78 1.952 -1.614 1.488 1.00 0.00 H new ATOM 0 HB ILE A 78 1.165 -0.055 3.834 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -0.545 -1.791 4.108 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -0.305 -2.354 2.466 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -1.193 0.262 3.017 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -0.003 1.250 2.136 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -0.656 -0.229 1.393 1.00 0.00 H new ATOM 0 HD11 ILE A 78 0.601 -3.942 4.078 1.00 0.00 H new ATOM 0 HD12 ILE A 78 1.909 -3.256 3.084 1.00 0.00 H new ATOM 0 HD13 ILE A 78 1.665 -2.685 4.752 1.00 0.00 H new ATOM 1215 N ALA A 79 2.724 1.625 1.488 1.00 0.00 N ATOM 1216 CA ALA A 79 2.930 2.764 0.589 1.00 0.00 C ATOM 1217 C ALA A 79 3.955 2.523 -0.545 1.00 0.00 C ATOM 1218 O ALA A 79 4.045 3.353 -1.456 1.00 0.00 O ATOM 1219 CB ALA A 79 3.292 4.009 1.406 1.00 0.00 C ATOM 0 H ALA A 79 2.974 1.815 2.458 1.00 0.00 H new ATOM 0 HA ALA A 79 1.982 2.915 0.072 1.00 0.00 H new ATOM 0 HB1 ALA A 79 3.444 4.854 0.734 1.00 0.00 H new ATOM 0 HB2 ALA A 79 2.482 4.238 2.099 1.00 0.00 H new ATOM 0 HB3 ALA A 79 4.207 3.822 1.967 1.00 0.00 H new ATOM 1225 N ALA A 80 4.729 1.433 -0.504 1.00 0.00 N ATOM 1226 CA ALA A 80 5.672 1.030 -1.542 1.00 0.00 C ATOM 1227 C ALA A 80 4.943 0.337 -2.682 1.00 0.00 C ATOM 1228 O ALA A 80 4.971 0.808 -3.817 1.00 0.00 O ATOM 1229 CB ALA A 80 6.719 0.102 -0.934 1.00 0.00 C ATOM 0 H ALA A 80 4.712 0.786 0.284 1.00 0.00 H new ATOM 0 HA ALA A 80 6.165 1.914 -1.946 1.00 0.00 H new ATOM 0 HB1 ALA A 80 7.427 -0.203 -1.705 1.00 0.00 H new ATOM 0 HB2 ALA A 80 7.251 0.625 -0.139 1.00 0.00 H new ATOM 0 HB3 ALA A 80 6.228 -0.780 -0.523 1.00 0.00 H new ATOM 1235 N PHE A 81 4.251 -0.753 -2.337 1.00 0.00 N ATOM 1236 CA PHE A 81 3.173 -1.381 -3.090 1.00 0.00 C ATOM 1237 C PHE A 81 2.366 -0.320 -3.770 1.00 0.00 C ATOM 1238 O PHE A 81 2.202 -0.362 -4.980 1.00 0.00 O ATOM 1239 CB PHE A 81 2.292 -2.190 -2.135 1.00 0.00 C ATOM 1240 CG PHE A 81 0.750 -2.107 -2.164 1.00 0.00 C ATOM 1241 CD1 PHE A 81 -0.010 -1.981 -3.348 1.00 0.00 C ATOM 1242 CD2 PHE A 81 0.055 -2.118 -0.938 1.00 0.00 C ATOM 1243 CE1 PHE A 81 -1.398 -1.759 -3.304 1.00 0.00 C ATOM 1244 CE2 PHE A 81 -1.339 -1.964 -0.888 1.00 0.00 C ATOM 1245 CZ PHE A 81 -2.065 -1.747 -2.069 1.00 0.00 C ATOM 0 H PHE A 81 4.445 -1.249 -1.467 1.00 0.00 H new ATOM 0 HA PHE A 81 3.585 -2.052 -3.844 1.00 0.00 H new ATOM 0 HB2 PHE A 81 2.552 -3.238 -2.282 1.00 0.00 H new ATOM 0 HB3 PHE A 81 2.601 -1.924 -1.124 1.00 0.00 H new ATOM 0 HD1 PHE A 81 0.484 -2.057 -4.305 1.00 0.00 H new ATOM 0 HD2 PHE A 81 0.606 -2.248 -0.018 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -1.950 -1.598 -4.218 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -1.853 -2.013 0.060 1.00 0.00 H new ATOM 0 HZ PHE A 81 -3.130 -1.572 -2.028 1.00 0.00 H new ATOM 1255 N GLU A 82 1.855 0.619 -2.984 1.00 0.00 N ATOM 1256 CA GLU A 82 0.855 1.533 -3.458 1.00 0.00 C ATOM 1257 C GLU A 82 1.422 2.510 -4.473 1.00 0.00 C ATOM 1258 O GLU A 82 0.623 3.231 -5.075 1.00 0.00 O ATOM 1259 CB GLU A 82 0.297 2.342 -2.281 1.00 0.00 C ATOM 1260 CG GLU A 82 -0.482 1.517 -1.241 1.00 0.00 C ATOM 1261 CD GLU A 82 -1.961 1.891 -1.049 1.00 0.00 C ATOM 1262 OE1 GLU A 82 -2.469 2.846 -1.682 1.00 0.00 O ATOM 1263 OE2 GLU A 82 -2.593 1.397 -0.088 1.00 0.00 O ATOM 0 H GLU A 82 2.127 0.758 -2.011 1.00 0.00 H new ATOM 0 HA GLU A 82 0.073 0.941 -3.934 1.00 0.00 H new ATOM 0 HB2 GLU A 82 1.124 2.845 -1.780 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -0.359 3.120 -2.672 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -0.428 0.467 -1.527 1.00 0.00 H new ATOM 0 HG3 GLU A 82 0.023 1.612 -0.280 1.00 0.00 H new ATOM 1270 N ALA A 83 2.751 2.570 -4.664 1.00 0.00 N ATOM 1271 CA ALA A 83 3.255 3.329 -5.792 1.00 0.00 C ATOM 1272 C ALA A 83 3.004 2.587 -7.095 1.00 0.00 C ATOM 1273 O ALA A 83 2.806 3.231 -8.126 1.00 0.00 O ATOM 1274 CB ALA A 83 4.748 3.613 -5.643 1.00 0.00 C ATOM 0 H ALA A 83 3.455 2.122 -4.078 1.00 0.00 H new ATOM 0 HA ALA A 83 2.720 4.279 -5.813 1.00 0.00 H new ATOM 0 HB1 ALA A 83 5.098 4.183 -6.504 1.00 0.00 H new ATOM 0 HB2 ALA A 83 4.920 4.187 -4.733 1.00 0.00 H new ATOM 0 HB3 ALA A 83 5.294 2.671 -5.586 1.00 0.00 H new ATOM 1280 N MET A 84 3.000 1.257 -7.052 1.00 0.00 N ATOM 1281 CA MET A 84 3.120 0.433 -8.252 1.00 0.00 C ATOM 1282 C MET A 84 2.034 -0.641 -8.305 1.00 0.00 C ATOM 1283 O MET A 84 2.151 -1.593 -9.070 1.00 0.00 O ATOM 1284 CB MET A 84 4.560 -0.104 -8.371 1.00 0.00 C ATOM 1285 CG MET A 84 5.220 -0.489 -7.040 1.00 0.00 C ATOM 1286 SD MET A 84 6.830 -1.316 -7.174 1.00 0.00 S ATOM 1287 CE MET A 84 7.763 -0.091 -8.124 1.00 0.00 C ATOM 0 H MET A 84 2.914 0.722 -6.188 1.00 0.00 H new ATOM 0 HA MET A 84 2.943 1.042 -9.139 1.00 0.00 H new ATOM 0 HB2 MET A 84 4.553 -0.978 -9.022 1.00 0.00 H new ATOM 0 HB3 MET A 84 5.175 0.652 -8.859 1.00 0.00 H new ATOM 0 HG2 MET A 84 5.344 0.414 -6.442 1.00 0.00 H new ATOM 0 HG3 MET A 84 4.540 -1.143 -6.493 1.00 0.00 H new ATOM 0 HE1 MET A 84 8.830 -0.242 -7.964 1.00 0.00 H new ATOM 0 HE2 MET A 84 7.536 -0.203 -9.184 1.00 0.00 H new ATOM 0 HE3 MET A 84 7.485 0.911 -7.797 1.00 0.00 H new ATOM 1297 N GLY A 85 0.988 -0.514 -7.486 1.00 0.00 N ATOM 1298 CA GLY A 85 -0.075 -1.519 -7.393 1.00 0.00 C ATOM 1299 C GLY A 85 0.455 -2.912 -7.024 1.00 0.00 C ATOM 1300 O GLY A 85 -0.156 -3.917 -7.382 1.00 0.00 O ATOM 0 H GLY A 85 0.853 0.287 -6.869 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -0.804 -1.203 -6.646 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -0.600 -1.576 -8.347 1.00 0.00 H new ATOM 1304 N VAL A 86 1.590 -2.993 -6.324 1.00 0.00 N ATOM 1305 CA VAL A 86 2.314 -4.259 -6.136 1.00 0.00 C ATOM 1306 C VAL A 86 1.596 -5.020 -5.027 1.00 0.00 C ATOM 1307 O VAL A 86 1.630 -4.566 -3.894 1.00 0.00 O ATOM 1308 CB VAL A 86 3.830 -3.979 -5.931 1.00 0.00 C ATOM 1309 CG1 VAL A 86 4.626 -4.917 -5.006 1.00 0.00 C ATOM 1310 CG2 VAL A 86 4.502 -3.977 -7.309 1.00 0.00 C ATOM 0 H VAL A 86 2.032 -2.192 -5.874 1.00 0.00 H new ATOM 0 HA VAL A 86 2.300 -4.908 -7.012 1.00 0.00 H new ATOM 0 HB VAL A 86 3.853 -3.022 -5.409 1.00 0.00 H new ATOM 0 HG11 VAL A 86 5.666 -4.592 -4.966 1.00 0.00 H new ATOM 0 HG12 VAL A 86 4.198 -4.889 -4.004 1.00 0.00 H new ATOM 0 HG13 VAL A 86 4.579 -5.935 -5.392 1.00 0.00 H new ATOM 0 HG21 VAL A 86 5.568 -3.782 -7.194 1.00 0.00 H new ATOM 0 HG22 VAL A 86 4.360 -4.947 -7.785 1.00 0.00 H new ATOM 0 HG23 VAL A 86 4.057 -3.200 -7.930 1.00 0.00 H new ATOM 1320 N LYS A 87 0.877 -6.103 -5.347 1.00 0.00 N ATOM 1321 CA LYS A 87 -0.025 -6.828 -4.456 1.00 0.00 C ATOM 1322 C LYS A 87 0.695 -7.206 -3.166 1.00 0.00 C ATOM 1323 O LYS A 87 1.822 -7.701 -3.220 1.00 0.00 O ATOM 1324 CB LYS A 87 -0.598 -8.034 -5.219 1.00 0.00 C ATOM 1325 CG LYS A 87 -1.599 -8.885 -4.415 1.00 0.00 C ATOM 1326 CD LYS A 87 -3.069 -8.659 -4.773 1.00 0.00 C ATOM 1327 CE LYS A 87 -3.496 -9.510 -5.980 1.00 0.00 C ATOM 1328 NZ LYS A 87 -3.841 -8.717 -7.180 1.00 0.00 N ATOM 0 H LYS A 87 0.913 -6.514 -6.280 1.00 0.00 H new ATOM 0 HA LYS A 87 -0.864 -6.202 -4.152 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -1.090 -7.675 -6.123 1.00 0.00 H new ATOM 0 HB3 LYS A 87 0.227 -8.671 -5.537 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -1.361 -9.938 -4.565 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -1.462 -8.675 -3.354 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -3.695 -8.904 -3.915 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -3.232 -7.604 -4.995 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -2.689 -10.198 -6.231 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -4.356 -10.117 -5.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -4.119 -9.357 -7.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -4.632 -8.078 -6.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -3.016 -8.157 -7.475 1.00 0.00 H new ATOM 1342 N VAL A 88 0.027 -7.074 -2.022 1.00 0.00 N ATOM 1343 CA VAL A 88 0.579 -7.422 -0.726 1.00 0.00 C ATOM 1344 C VAL A 88 -0.368 -8.425 -0.079 1.00 0.00 C ATOM 1345 O VAL A 88 -1.361 -8.046 0.536 1.00 0.00 O ATOM 1346 CB VAL A 88 0.812 -6.166 0.144 1.00 0.00 C ATOM 1347 CG1 VAL A 88 1.626 -6.510 1.398 1.00 0.00 C ATOM 1348 CG2 VAL A 88 1.578 -5.071 -0.598 1.00 0.00 C ATOM 0 H VAL A 88 -0.927 -6.716 -1.975 1.00 0.00 H new ATOM 0 HA VAL A 88 1.563 -7.878 -0.835 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.183 -5.804 0.405 1.00 0.00 H new ATOM 0 HG11 VAL A 88 1.776 -5.609 1.993 1.00 0.00 H new ATOM 0 HG12 VAL A 88 1.087 -7.250 1.990 1.00 0.00 H new ATOM 0 HG13 VAL A 88 2.594 -6.916 1.104 1.00 0.00 H new ATOM 0 HG21 VAL A 88 1.714 -4.212 0.060 1.00 0.00 H new ATOM 0 HG22 VAL A 88 2.553 -5.452 -0.903 1.00 0.00 H new ATOM 0 HG23 VAL A 88 1.015 -4.767 -1.480 1.00 0.00 H new ATOM 1358 N ILE A 89 -0.082 -9.713 -0.219 1.00 0.00 N ATOM 1359 CA ILE A 89 -0.789 -10.766 0.496 1.00 0.00 C ATOM 1360 C ILE A 89 -0.210 -10.850 1.909 1.00 0.00 C ATOM 1361 O ILE A 89 1.004 -10.726 2.096 1.00 0.00 O ATOM 1362 CB ILE A 89 -0.717 -12.052 -0.358 1.00 0.00 C ATOM 1363 CG1 ILE A 89 -1.797 -11.917 -1.459 1.00 0.00 C ATOM 1364 CG2 ILE A 89 -0.902 -13.329 0.469 1.00 0.00 C ATOM 1365 CD1 ILE A 89 -1.806 -13.018 -2.513 1.00 0.00 C ATOM 0 H ILE A 89 0.653 -10.058 -0.837 1.00 0.00 H new ATOM 0 HA ILE A 89 -1.853 -10.575 0.636 1.00 0.00 H new ATOM 0 HB ILE A 89 0.276 -12.151 -0.796 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -2.776 -11.889 -0.981 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -1.660 -10.959 -1.961 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -0.842 -14.198 -0.186 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -0.119 -13.389 1.225 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -1.877 -13.309 0.956 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -2.600 -12.825 -3.234 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -0.845 -13.037 -3.028 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -1.979 -13.981 -2.032 1.00 0.00 H new ATOM 1377 N LYS A 90 -1.068 -11.037 2.920 1.00 0.00 N ATOM 1378 CA LYS A 90 -0.667 -10.952 4.321 1.00 0.00 C ATOM 1379 C LYS A 90 -1.146 -12.186 5.103 1.00 0.00 C ATOM 1380 O LYS A 90 -2.131 -12.819 4.727 1.00 0.00 O ATOM 1381 CB LYS A 90 -1.149 -9.615 4.927 1.00 0.00 C ATOM 1382 CG LYS A 90 -0.536 -8.345 4.290 1.00 0.00 C ATOM 1383 CD LYS A 90 -1.528 -7.474 3.518 1.00 0.00 C ATOM 1384 CE LYS A 90 -2.389 -6.556 4.381 1.00 0.00 C ATOM 1385 NZ LYS A 90 -1.834 -5.204 4.568 1.00 0.00 N ATOM 0 H LYS A 90 -2.056 -11.251 2.785 1.00 0.00 H new ATOM 0 HA LYS A 90 0.421 -10.957 4.392 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -2.234 -9.562 4.833 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -0.921 -9.614 5.993 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -0.082 -7.744 5.077 1.00 0.00 H new ATOM 0 HG3 LYS A 90 0.266 -8.645 3.615 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -0.974 -6.863 2.805 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -2.184 -8.123 2.939 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -3.377 -6.471 3.928 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -2.526 -7.018 5.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -2.477 -4.644 5.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -0.904 -5.271 5.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -1.729 -4.741 3.643 1.00 0.00 H new ATOM 1399 N GLY A 91 -0.451 -12.531 6.195 1.00 0.00 N ATOM 1400 CA GLY A 91 -0.871 -13.569 7.143 1.00 0.00 C ATOM 1401 C GLY A 91 -0.148 -14.910 6.989 1.00 0.00 C ATOM 1402 O GLY A 91 -0.572 -15.902 7.583 1.00 0.00 O ATOM 0 H GLY A 91 0.433 -12.089 6.448 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -0.712 -13.201 8.157 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -1.942 -13.734 7.028 1.00 0.00 H new ATOM 1406 N ALA A 92 0.926 -14.966 6.197 1.00 0.00 N ATOM 1407 CA ALA A 92 1.666 -16.203 5.969 1.00 0.00 C ATOM 1408 C ALA A 92 2.436 -16.620 7.230 1.00 0.00 C ATOM 1409 O ALA A 92 2.751 -15.778 8.077 1.00 0.00 O ATOM 1410 CB ALA A 92 2.600 -15.994 4.776 1.00 0.00 C ATOM 0 H ALA A 92 1.303 -14.159 5.700 1.00 0.00 H new ATOM 0 HA ALA A 92 0.976 -17.016 5.744 1.00 0.00 H new ATOM 0 HB1 ALA A 92 3.163 -16.909 4.590 1.00 0.00 H new ATOM 0 HB2 ALA A 92 2.012 -15.743 3.893 1.00 0.00 H new ATOM 0 HB3 ALA A 92 3.292 -15.181 4.994 1.00 0.00 H new ATOM 1416 N SER A 93 2.773 -17.903 7.353 1.00 0.00 N ATOM 1417 CA SER A 93 3.526 -18.446 8.475 1.00 0.00 C ATOM 1418 C SER A 93 4.150 -19.773 8.041 1.00 0.00 C ATOM 1419 O SER A 93 3.444 -20.583 7.437 1.00 0.00 O ATOM 1420 CB SER A 93 2.587 -18.600 9.674 1.00 0.00 C ATOM 1421 OG SER A 93 1.462 -19.409 9.405 1.00 0.00 O ATOM 0 H SER A 93 2.523 -18.607 6.658 1.00 0.00 H new ATOM 0 HA SER A 93 4.334 -17.780 8.778 1.00 0.00 H new ATOM 0 HB2 SER A 93 3.142 -19.029 10.508 1.00 0.00 H new ATOM 0 HB3 SER A 93 2.248 -17.613 9.990 1.00 0.00 H new ATOM 0 HG SER A 93 1.688 -20.064 8.712 1.00 0.00 H new ATOM 1427 N GLY A 94 5.455 -19.968 8.271 1.00 0.00 N ATOM 1428 CA GLY A 94 6.202 -21.121 7.764 1.00 0.00 C ATOM 1429 C GLY A 94 7.508 -20.726 7.068 1.00 0.00 C ATOM 1430 O GLY A 94 8.303 -19.991 7.667 1.00 0.00 O ATOM 0 H GLY A 94 6.025 -19.323 8.819 1.00 0.00 H new ATOM 0 HA2 GLY A 94 6.426 -21.794 8.591 1.00 0.00 H new ATOM 0 HA3 GLY A 94 5.576 -21.674 7.064 1.00 0.00 H new ATOM 1434 N THR A 95 7.759 -21.248 5.861 1.00 0.00 N ATOM 1435 CA THR A 95 9.033 -21.168 5.132 1.00 0.00 C ATOM 1436 C THR A 95 8.814 -20.765 3.669 1.00 0.00 C ATOM 1437 O THR A 95 7.715 -20.931 3.149 1.00 0.00 O ATOM 1438 CB THR A 95 9.745 -22.531 5.172 1.00 0.00 C ATOM 1439 OG1 THR A 95 8.853 -23.596 4.909 1.00 0.00 O ATOM 1440 CG2 THR A 95 10.435 -22.784 6.502 1.00 0.00 C ATOM 0 H THR A 95 7.047 -21.762 5.341 1.00 0.00 H new ATOM 0 HA THR A 95 9.646 -20.408 5.617 1.00 0.00 H new ATOM 0 HB THR A 95 10.501 -22.491 4.388 1.00 0.00 H new ATOM 0 HG1 THR A 95 9.340 -24.446 4.941 1.00 0.00 H new ATOM 0 HG21 THR A 95 10.922 -23.759 6.479 1.00 0.00 H new ATOM 0 HG22 THR A 95 11.181 -22.009 6.678 1.00 0.00 H new ATOM 0 HG23 THR A 95 9.697 -22.766 7.304 1.00 0.00 H new ATOM 1448 N VAL A 96 9.833 -20.249 2.971 1.00 0.00 N ATOM 1449 CA VAL A 96 9.628 -19.575 1.687 1.00 0.00 C ATOM 1450 C VAL A 96 9.075 -20.543 0.632 1.00 0.00 C ATOM 1451 O VAL A 96 8.153 -20.199 -0.113 1.00 0.00 O ATOM 1452 CB VAL A 96 10.947 -18.932 1.206 1.00 0.00 C ATOM 1453 CG1 VAL A 96 10.933 -18.571 -0.280 1.00 0.00 C ATOM 1454 CG2 VAL A 96 11.246 -17.673 2.010 1.00 0.00 C ATOM 0 H VAL A 96 10.806 -20.286 3.275 1.00 0.00 H new ATOM 0 HA VAL A 96 8.888 -18.788 1.830 1.00 0.00 H new ATOM 0 HB VAL A 96 11.722 -19.683 1.360 1.00 0.00 H new ATOM 0 HG11 VAL A 96 11.888 -18.123 -0.555 1.00 0.00 H new ATOM 0 HG12 VAL A 96 10.771 -19.472 -0.872 1.00 0.00 H new ATOM 0 HG13 VAL A 96 10.130 -17.860 -0.474 1.00 0.00 H new ATOM 0 HG21 VAL A 96 12.179 -17.231 1.660 1.00 0.00 H new ATOM 0 HG22 VAL A 96 10.434 -16.957 1.881 1.00 0.00 H new ATOM 0 HG23 VAL A 96 11.340 -17.929 3.065 1.00 0.00 H new ATOM 1464 N GLU A 97 9.641 -21.747 0.540 1.00 0.00 N ATOM 1465 CA GLU A 97 9.202 -22.749 -0.440 1.00 0.00 C ATOM 1466 C GLU A 97 7.785 -23.246 -0.193 1.00 0.00 C ATOM 1467 O GLU A 97 7.223 -23.969 -1.022 1.00 0.00 O ATOM 1468 CB GLU A 97 10.133 -23.951 -0.467 1.00 0.00 C ATOM 1469 CG GLU A 97 10.262 -24.635 0.903 1.00 0.00 C ATOM 1470 CD GLU A 97 10.591 -26.114 0.734 1.00 0.00 C ATOM 1471 OE1 GLU A 97 9.737 -26.854 0.186 1.00 0.00 O ATOM 1472 OE2 GLU A 97 11.701 -26.567 1.099 1.00 0.00 O ATOM 0 H GLU A 97 10.410 -22.056 1.135 1.00 0.00 H new ATOM 0 HA GLU A 97 9.226 -22.234 -1.401 1.00 0.00 H new ATOM 0 HB2 GLU A 97 9.765 -24.673 -1.196 1.00 0.00 H new ATOM 0 HB3 GLU A 97 11.120 -23.633 -0.804 1.00 0.00 H new ATOM 0 HG2 GLU A 97 11.043 -24.147 1.487 1.00 0.00 H new ATOM 0 HG3 GLU A 97 9.331 -24.525 1.460 1.00 0.00 H new ATOM 1479 N GLU A 98 7.240 -22.920 0.968 1.00 0.00 N ATOM 1480 CA GLU A 98 5.933 -23.323 1.404 1.00 0.00 C ATOM 1481 C GLU A 98 4.978 -22.147 1.260 1.00 0.00 C ATOM 1482 O GLU A 98 3.918 -22.352 0.690 1.00 0.00 O ATOM 1483 CB GLU A 98 6.034 -23.849 2.824 1.00 0.00 C ATOM 1484 CG GLU A 98 4.731 -24.540 3.213 1.00 0.00 C ATOM 1485 CD GLU A 98 4.474 -24.256 4.677 1.00 0.00 C ATOM 1486 OE1 GLU A 98 4.061 -23.118 4.978 1.00 0.00 O ATOM 1487 OE2 GLU A 98 4.729 -25.151 5.514 1.00 0.00 O ATOM 0 H GLU A 98 7.726 -22.342 1.654 1.00 0.00 H new ATOM 0 HA GLU A 98 5.534 -24.131 0.790 1.00 0.00 H new ATOM 0 HB2 GLU A 98 6.866 -24.549 2.904 1.00 0.00 H new ATOM 0 HB3 GLU A 98 6.241 -23.029 3.512 1.00 0.00 H new ATOM 0 HG2 GLU A 98 3.907 -24.172 2.602 1.00 0.00 H new ATOM 0 HG3 GLU A 98 4.802 -25.614 3.039 1.00 0.00 H new ATOM 1494 N VAL A 99 5.353 -20.918 1.639 1.00 0.00 N ATOM 1495 CA VAL A 99 4.595 -19.704 1.345 1.00 0.00 C ATOM 1496 C VAL A 99 4.155 -19.688 -0.116 1.00 0.00 C ATOM 1497 O VAL A 99 2.995 -19.413 -0.437 1.00 0.00 O ATOM 1498 CB VAL A 99 5.487 -18.470 1.612 1.00 0.00 C ATOM 1499 CG1 VAL A 99 4.824 -17.187 1.147 1.00 0.00 C ATOM 1500 CG2 VAL A 99 5.799 -18.255 3.082 1.00 0.00 C ATOM 0 H VAL A 99 6.207 -20.741 2.168 1.00 0.00 H new ATOM 0 HA VAL A 99 3.712 -19.680 1.983 1.00 0.00 H new ATOM 0 HB VAL A 99 6.401 -18.684 1.059 1.00 0.00 H new ATOM 0 HG11 VAL A 99 5.482 -16.342 1.352 1.00 0.00 H new ATOM 0 HG12 VAL A 99 4.631 -17.245 0.076 1.00 0.00 H new ATOM 0 HG13 VAL A 99 3.882 -17.051 1.679 1.00 0.00 H new ATOM 0 HG21 VAL A 99 6.428 -17.372 3.195 1.00 0.00 H new ATOM 0 HG22 VAL A 99 4.870 -18.111 3.634 1.00 0.00 H new ATOM 0 HG23 VAL A 99 6.323 -19.127 3.474 1.00 0.00 H new ATOM 1510 N VAL A 100 5.112 -19.937 -1.008 1.00 0.00 N ATOM 1511 CA VAL A 100 4.873 -19.895 -2.433 1.00 0.00 C ATOM 1512 C VAL A 100 3.881 -20.993 -2.816 1.00 0.00 C ATOM 1513 O VAL A 100 2.991 -20.733 -3.628 1.00 0.00 O ATOM 1514 CB VAL A 100 6.223 -19.951 -3.167 1.00 0.00 C ATOM 1515 CG1 VAL A 100 6.029 -20.044 -4.684 1.00 0.00 C ATOM 1516 CG2 VAL A 100 7.013 -18.656 -2.892 1.00 0.00 C ATOM 0 H VAL A 100 6.071 -20.173 -0.754 1.00 0.00 H new ATOM 0 HA VAL A 100 4.403 -18.961 -2.740 1.00 0.00 H new ATOM 0 HB VAL A 100 6.754 -20.832 -2.806 1.00 0.00 H new ATOM 0 HG11 VAL A 100 7.002 -20.082 -5.174 1.00 0.00 H new ATOM 0 HG12 VAL A 100 5.467 -20.946 -4.924 1.00 0.00 H new ATOM 0 HG13 VAL A 100 5.480 -19.170 -5.035 1.00 0.00 H new ATOM 0 HG21 VAL A 100 7.970 -18.696 -3.412 1.00 0.00 H new ATOM 0 HG22 VAL A 100 6.442 -17.799 -3.248 1.00 0.00 H new ATOM 0 HG23 VAL A 100 7.187 -18.556 -1.821 1.00 0.00 H new ATOM 1526 N ASN A 101 3.971 -22.179 -2.202 1.00 0.00 N ATOM 1527 CA ASN A 101 2.950 -23.196 -2.382 1.00 0.00 C ATOM 1528 C ASN A 101 1.607 -22.693 -1.870 1.00 0.00 C ATOM 1529 O ASN A 101 0.660 -22.749 -2.635 1.00 0.00 O ATOM 1530 CB ASN A 101 3.314 -24.531 -1.728 1.00 0.00 C ATOM 1531 CG ASN A 101 2.189 -25.534 -1.959 1.00 0.00 C ATOM 1532 OD1 ASN A 101 1.202 -25.548 -1.229 1.00 0.00 O ATOM 1533 ND2 ASN A 101 2.297 -26.379 -2.968 1.00 0.00 N ATOM 0 H ASN A 101 4.736 -22.448 -1.583 1.00 0.00 H new ATOM 0 HA ASN A 101 2.879 -23.387 -3.453 1.00 0.00 H new ATOM 0 HB2 ASN A 101 4.246 -24.911 -2.147 1.00 0.00 H new ATOM 0 HB3 ASN A 101 3.478 -24.392 -0.659 1.00 0.00 H new ATOM 0 HD21 ASN A 101 1.555 -27.055 -3.149 1.00 0.00 H new ATOM 0 HD22 ASN A 101 3.123 -26.356 -3.566 1.00 0.00 H new ATOM 1540 N GLN A 102 1.504 -22.169 -0.645 1.00 0.00 N ATOM 1541 CA GLN A 102 0.226 -21.788 -0.031 1.00 0.00 C ATOM 1542 C GLN A 102 -0.547 -20.784 -0.908 1.00 0.00 C ATOM 1543 O GLN A 102 -1.779 -20.815 -0.996 1.00 0.00 O ATOM 1544 CB GLN A 102 0.430 -21.196 1.380 1.00 0.00 C ATOM 1545 CG GLN A 102 1.104 -22.128 2.410 1.00 0.00 C ATOM 1546 CD GLN A 102 0.644 -21.908 3.858 1.00 0.00 C ATOM 1547 OE1 GLN A 102 -0.512 -21.591 4.137 1.00 0.00 O ATOM 1548 NE2 GLN A 102 1.511 -22.073 4.840 1.00 0.00 N ATOM 0 H GLN A 102 2.311 -21.995 -0.046 1.00 0.00 H new ATOM 0 HA GLN A 102 -0.364 -22.701 0.055 1.00 0.00 H new ATOM 0 HB2 GLN A 102 1.031 -20.291 1.290 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -0.542 -20.896 1.771 1.00 0.00 H new ATOM 0 HG2 GLN A 102 0.905 -23.163 2.131 1.00 0.00 H new ATOM 0 HG3 GLN A 102 2.184 -21.986 2.359 1.00 0.00 H new ATOM 0 HE21 GLN A 102 2.474 -22.336 4.631 1.00 0.00 H new ATOM 0 HE22 GLN A 102 1.218 -21.938 5.807 1.00 0.00 H new ATOM 1557 N TYR A 103 0.178 -19.868 -1.550 1.00 0.00 N ATOM 1558 CA TYR A 103 -0.355 -18.910 -2.503 1.00 0.00 C ATOM 1559 C TYR A 103 -0.790 -19.579 -3.799 1.00 0.00 C ATOM 1560 O TYR A 103 -1.909 -19.348 -4.258 1.00 0.00 O ATOM 1561 CB TYR A 103 0.736 -17.883 -2.770 1.00 0.00 C ATOM 1562 CG TYR A 103 0.516 -17.008 -3.986 1.00 0.00 C ATOM 1563 CD1 TYR A 103 -0.399 -15.938 -3.949 1.00 0.00 C ATOM 1564 CD2 TYR A 103 1.226 -17.281 -5.169 1.00 0.00 C ATOM 1565 CE1 TYR A 103 -0.587 -15.148 -5.103 1.00 0.00 C ATOM 1566 CE2 TYR A 103 1.035 -16.497 -6.312 1.00 0.00 C ATOM 1567 CZ TYR A 103 0.103 -15.445 -6.298 1.00 0.00 C ATOM 1568 OH TYR A 103 -0.130 -14.739 -7.439 1.00 0.00 O ATOM 0 H TYR A 103 1.184 -19.774 -1.413 1.00 0.00 H new ATOM 0 HA TYR A 103 -1.245 -18.437 -2.089 1.00 0.00 H new ATOM 0 HB2 TYR A 103 0.831 -17.242 -1.894 1.00 0.00 H new ATOM 0 HB3 TYR A 103 1.685 -18.407 -2.886 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -0.952 -15.724 -3.046 1.00 0.00 H new ATOM 0 HD2 TYR A 103 1.925 -18.104 -5.195 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -1.265 -14.308 -5.072 1.00 0.00 H new ATOM 0 HE2 TYR A 103 1.605 -16.701 -7.207 1.00 0.00 H new ATOM 0 HH TYR A 103 0.722 -14.535 -7.877 1.00 0.00 H new ATOM 1578 N LEU A 104 0.072 -20.399 -4.403 1.00 0.00 N ATOM 1579 CA LEU A 104 -0.256 -21.098 -5.644 1.00 0.00 C ATOM 1580 C LEU A 104 -1.428 -22.054 -5.416 1.00 0.00 C ATOM 1581 O LEU A 104 -2.282 -22.179 -6.290 1.00 0.00 O ATOM 1582 CB LEU A 104 0.971 -21.852 -6.189 1.00 0.00 C ATOM 1583 CG LEU A 104 2.053 -20.941 -6.808 1.00 0.00 C ATOM 1584 CD1 LEU A 104 3.216 -21.785 -7.339 1.00 0.00 C ATOM 1585 CD2 LEU A 104 1.520 -20.043 -7.933 1.00 0.00 C ATOM 0 H LEU A 104 1.008 -20.595 -4.049 1.00 0.00 H new ATOM 0 HA LEU A 104 -0.551 -20.361 -6.390 1.00 0.00 H new ATOM 0 HB2 LEU A 104 1.418 -22.428 -5.379 1.00 0.00 H new ATOM 0 HB3 LEU A 104 0.639 -22.566 -6.943 1.00 0.00 H new ATOM 0 HG LEU A 104 2.394 -20.285 -6.007 1.00 0.00 H new ATOM 0 HD11 LEU A 104 3.972 -21.131 -7.773 1.00 0.00 H new ATOM 0 HD12 LEU A 104 3.656 -22.355 -6.520 1.00 0.00 H new ATOM 0 HD13 LEU A 104 2.849 -22.471 -8.102 1.00 0.00 H new ATOM 0 HD21 LEU A 104 2.331 -19.429 -8.324 1.00 0.00 H new ATOM 0 HD22 LEU A 104 1.116 -20.663 -8.733 1.00 0.00 H new ATOM 0 HD23 LEU A 104 0.733 -19.398 -7.542 1.00 0.00 H new ATOM 1597 N SER A 105 -1.554 -22.590 -4.206 1.00 0.00 N ATOM 1598 CA SER A 105 -2.636 -23.435 -3.735 1.00 0.00 C ATOM 1599 C SER A 105 -3.924 -22.642 -3.457 1.00 0.00 C ATOM 1600 O SER A 105 -4.933 -23.234 -3.069 1.00 0.00 O ATOM 1601 CB SER A 105 -2.145 -24.182 -2.489 1.00 0.00 C ATOM 1602 OG SER A 105 -1.139 -25.113 -2.855 1.00 0.00 O ATOM 0 H SER A 105 -0.853 -22.432 -3.482 1.00 0.00 H new ATOM 0 HA SER A 105 -2.902 -24.148 -4.516 1.00 0.00 H new ATOM 0 HB2 SER A 105 -1.751 -23.474 -1.760 1.00 0.00 H new ATOM 0 HB3 SER A 105 -2.977 -24.700 -2.012 1.00 0.00 H new ATOM 0 HG SER A 105 -0.431 -25.112 -2.178 1.00 0.00 H new ATOM 1608 N GLY A 106 -3.904 -21.315 -3.648 1.00 0.00 N ATOM 1609 CA GLY A 106 -5.077 -20.446 -3.669 1.00 0.00 C ATOM 1610 C GLY A 106 -5.472 -19.949 -2.284 1.00 0.00 C ATOM 1611 O GLY A 106 -6.305 -19.044 -2.170 1.00 0.00 O ATOM 0 H GLY A 106 -3.034 -20.803 -3.797 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -4.877 -19.590 -4.313 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -5.915 -20.987 -4.108 1.00 0.00 H new ATOM 1615 N GLN A 107 -4.852 -20.485 -1.233 1.00 0.00 N ATOM 1616 CA GLN A 107 -5.312 -20.268 0.130 1.00 0.00 C ATOM 1617 C GLN A 107 -4.964 -18.838 0.543 1.00 0.00 C ATOM 1618 O GLN A 107 -5.779 -18.106 1.098 1.00 0.00 O ATOM 1619 CB GLN A 107 -4.637 -21.281 1.070 1.00 0.00 C ATOM 1620 CG GLN A 107 -4.759 -22.765 0.684 1.00 0.00 C ATOM 1621 CD GLN A 107 -6.143 -23.373 0.908 1.00 0.00 C ATOM 1622 OE1 GLN A 107 -7.177 -22.738 0.745 1.00 0.00 O ATOM 1623 NE2 GLN A 107 -6.189 -24.631 1.310 1.00 0.00 N ATOM 0 H GLN A 107 -4.024 -21.076 -1.305 1.00 0.00 H new ATOM 0 HA GLN A 107 -6.391 -20.408 0.191 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -3.578 -21.032 1.136 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -5.057 -21.153 2.068 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -4.495 -22.875 -0.368 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -4.029 -23.336 1.258 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -5.325 -25.155 1.444 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -7.089 -25.078 1.486 1.00 0.00 H new ATOM 1632 N LEU A 108 -3.730 -18.442 0.245 1.00 0.00 N ATOM 1633 CA LEU A 108 -3.093 -17.256 0.784 1.00 0.00 C ATOM 1634 C LEU A 108 -3.650 -16.047 0.065 1.00 0.00 C ATOM 1635 O LEU A 108 -3.769 -16.056 -1.164 1.00 0.00 O ATOM 1636 CB LEU A 108 -1.587 -17.373 0.551 1.00 0.00 C ATOM 1637 CG LEU A 108 -0.690 -16.899 1.694 1.00 0.00 C ATOM 1638 CD1 LEU A 108 -0.874 -17.685 2.994 1.00 0.00 C ATOM 1639 CD2 LEU A 108 0.743 -17.080 1.206 1.00 0.00 C ATOM 0 H LEU A 108 -3.131 -18.958 -0.400 1.00 0.00 H new ATOM 0 HA LEU A 108 -3.283 -17.154 1.852 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -1.353 -18.417 0.341 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -1.333 -16.803 -0.343 1.00 0.00 H new ATOM 0 HG LEU A 108 -0.945 -15.867 1.933 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -0.203 -17.289 3.757 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -1.905 -17.590 3.334 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -0.645 -18.736 2.819 1.00 0.00 H new ATOM 0 HD21 LEU A 108 1.436 -16.757 1.983 1.00 0.00 H new ATOM 0 HD22 LEU A 108 0.919 -18.131 0.977 1.00 0.00 H new ATOM 0 HD23 LEU A 108 0.900 -16.482 0.308 1.00 0.00 H new ATOM 1651 N LYS A 109 -3.987 -15.008 0.818 1.00 0.00 N ATOM 1652 CA LYS A 109 -4.699 -13.859 0.277 1.00 0.00 C ATOM 1653 C LYS A 109 -4.541 -12.595 1.125 1.00 0.00 C ATOM 1654 O LYS A 109 -3.799 -12.574 2.112 1.00 0.00 O ATOM 1655 CB LYS A 109 -6.174 -14.246 0.044 1.00 0.00 C ATOM 1656 CG LYS A 109 -6.764 -13.428 -1.113 1.00 0.00 C ATOM 1657 CD LYS A 109 -7.622 -14.272 -2.057 1.00 0.00 C ATOM 1658 CE LYS A 109 -9.012 -14.491 -1.461 1.00 0.00 C ATOM 1659 NZ LYS A 109 -9.980 -14.859 -2.509 1.00 0.00 N ATOM 0 H LYS A 109 -3.776 -14.938 1.814 1.00 0.00 H new ATOM 0 HA LYS A 109 -4.249 -13.595 -0.680 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -6.247 -15.310 -0.180 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -6.751 -14.072 0.952 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -7.368 -12.617 -0.707 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -5.953 -12.969 -1.679 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -7.708 -13.775 -3.023 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -7.140 -15.233 -2.235 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -8.969 -15.277 -0.707 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -9.343 -13.583 -0.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -10.917 -15.003 -2.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -10.035 -14.097 -3.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -9.673 -15.738 -2.972 1.00 0.00 H new ATOM 1673 N ASP A 110 -5.151 -11.511 0.661 1.00 0.00 N ATOM 1674 CA ASP A 110 -4.900 -10.130 1.046 1.00 0.00 C ATOM 1675 C ASP A 110 -6.165 -9.419 1.531 1.00 0.00 C ATOM 1676 O ASP A 110 -6.152 -8.209 1.747 1.00 0.00 O ATOM 1677 CB ASP A 110 -4.330 -9.354 -0.156 1.00 0.00 C ATOM 1678 CG ASP A 110 -5.312 -9.283 -1.326 1.00 0.00 C ATOM 1679 OD1 ASP A 110 -5.653 -10.369 -1.847 1.00 0.00 O ATOM 1680 OD2 ASP A 110 -5.694 -8.162 -1.720 1.00 0.00 O ATOM 0 H ASP A 110 -5.885 -11.580 -0.044 1.00 0.00 H new ATOM 0 HA ASP A 110 -4.187 -10.152 1.871 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -4.071 -8.343 0.158 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -3.408 -9.831 -0.488 1.00 0.00 H new ATOM 1685 N SER A 111 -7.223 -10.171 1.818 1.00 0.00 N ATOM 1686 CA SER A 111 -8.480 -9.695 2.387 1.00 0.00 C ATOM 1687 C SER A 111 -9.020 -8.471 1.618 1.00 0.00 C ATOM 1688 O SER A 111 -9.076 -8.519 0.388 1.00 0.00 O ATOM 1689 CB SER A 111 -8.262 -9.536 3.895 1.00 0.00 C ATOM 1690 OG SER A 111 -9.477 -9.614 4.627 1.00 0.00 O ATOM 0 H SER A 111 -7.228 -11.177 1.652 1.00 0.00 H new ATOM 0 HA SER A 111 -9.296 -10.408 2.267 1.00 0.00 H new ATOM 0 HB2 SER A 111 -7.579 -10.311 4.245 1.00 0.00 H new ATOM 0 HB3 SER A 111 -7.783 -8.577 4.091 1.00 0.00 H new ATOM 0 HG SER A 111 -9.290 -9.509 5.583 1.00 0.00 H new ATOM 1696 N ASP A 112 -9.479 -7.424 2.304 1.00 0.00 N ATOM 1697 CA ASP A 112 -10.186 -6.269 1.742 1.00 0.00 C ATOM 1698 C ASP A 112 -9.816 -5.029 2.558 1.00 0.00 C ATOM 1699 O ASP A 112 -10.069 -5.011 3.769 1.00 0.00 O ATOM 1700 CB ASP A 112 -11.689 -6.556 1.819 1.00 0.00 C ATOM 1701 CG ASP A 112 -12.558 -5.465 1.198 1.00 0.00 C ATOM 1702 OD1 ASP A 112 -12.129 -4.292 1.115 1.00 0.00 O ATOM 1703 OD2 ASP A 112 -13.702 -5.795 0.807 1.00 0.00 O ATOM 0 H ASP A 112 -9.363 -7.353 3.315 1.00 0.00 H new ATOM 0 HA ASP A 112 -9.910 -6.092 0.703 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -11.895 -7.501 1.317 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -11.972 -6.682 2.864 1.00 0.00 H new ATOM 1708 N TYR A 113 -9.114 -4.059 1.958 1.00 0.00 N ATOM 1709 CA TYR A 113 -8.369 -3.062 2.730 1.00 0.00 C ATOM 1710 C TYR A 113 -8.204 -1.694 2.050 1.00 0.00 C ATOM 1711 O TYR A 113 -7.404 -0.874 2.495 1.00 0.00 O ATOM 1712 CB TYR A 113 -7.020 -3.710 3.110 1.00 0.00 C ATOM 1713 CG TYR A 113 -6.209 -3.007 4.180 1.00 0.00 C ATOM 1714 CD1 TYR A 113 -6.656 -3.011 5.512 1.00 0.00 C ATOM 1715 CD2 TYR A 113 -5.017 -2.337 3.849 1.00 0.00 C ATOM 1716 CE1 TYR A 113 -5.927 -2.335 6.505 1.00 0.00 C ATOM 1717 CE2 TYR A 113 -4.281 -1.664 4.837 1.00 0.00 C ATOM 1718 CZ TYR A 113 -4.729 -1.662 6.172 1.00 0.00 C ATOM 1719 OH TYR A 113 -3.973 -1.066 7.132 1.00 0.00 O ATOM 0 H TYR A 113 -9.048 -3.945 0.947 1.00 0.00 H new ATOM 0 HA TYR A 113 -8.948 -2.804 3.617 1.00 0.00 H new ATOM 0 HB2 TYR A 113 -7.213 -4.730 3.443 1.00 0.00 H new ATOM 0 HB3 TYR A 113 -6.409 -3.779 2.210 1.00 0.00 H new ATOM 0 HD1 TYR A 113 -7.563 -3.536 5.774 1.00 0.00 H new ATOM 0 HD2 TYR A 113 -4.666 -2.340 2.828 1.00 0.00 H new ATOM 0 HE1 TYR A 113 -6.283 -2.329 7.525 1.00 0.00 H new ATOM 0 HE2 TYR A 113 -3.370 -1.147 4.573 1.00 0.00 H new ATOM 0 HH TYR A 113 -3.186 -0.654 6.719 1.00 0.00 H new ATOM 1729 N GLU A 114 -8.961 -1.399 1.001 1.00 0.00 N ATOM 1730 CA GLU A 114 -8.697 -0.264 0.105 1.00 0.00 C ATOM 1731 C GLU A 114 -9.856 0.735 0.042 1.00 0.00 C ATOM 1732 O GLU A 114 -10.076 1.418 -0.959 1.00 0.00 O ATOM 1733 CB GLU A 114 -8.175 -0.772 -1.248 1.00 0.00 C ATOM 1734 CG GLU A 114 -6.711 -1.226 -1.095 1.00 0.00 C ATOM 1735 CD GLU A 114 -6.215 -2.033 -2.290 1.00 0.00 C ATOM 1736 OE1 GLU A 114 -6.549 -3.238 -2.363 1.00 0.00 O ATOM 1737 OE2 GLU A 114 -5.399 -1.527 -3.089 1.00 0.00 O ATOM 0 H GLU A 114 -9.784 -1.941 0.740 1.00 0.00 H new ATOM 0 HA GLU A 114 -7.894 0.342 0.525 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -8.789 -1.601 -1.599 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -8.246 0.017 -1.997 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -6.075 -0.350 -0.965 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -6.614 -1.827 -0.191 1.00 0.00 H new ATOM 1744 N VAL A 115 -10.535 0.894 1.179 1.00 0.00 N ATOM 1745 CA VAL A 115 -11.518 1.933 1.428 1.00 0.00 C ATOM 1746 C VAL A 115 -11.011 3.302 0.961 1.00 0.00 C ATOM 1747 O VAL A 115 -9.844 3.659 1.170 1.00 0.00 O ATOM 1748 CB VAL A 115 -11.909 1.927 2.915 1.00 0.00 C ATOM 1749 CG1 VAL A 115 -12.646 0.633 3.281 1.00 0.00 C ATOM 1750 CG2 VAL A 115 -10.710 2.095 3.865 1.00 0.00 C ATOM 0 H VAL A 115 -10.405 0.275 1.979 1.00 0.00 H new ATOM 0 HA VAL A 115 -12.415 1.726 0.844 1.00 0.00 H new ATOM 0 HB VAL A 115 -12.562 2.790 3.046 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -12.912 0.652 4.338 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -13.551 0.548 2.680 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -11.999 -0.222 3.085 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -11.059 2.082 4.897 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -10.005 1.278 3.710 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -10.215 3.045 3.662 1.00 0.00 H new ATOM 1760 N HIS A 116 -11.892 4.063 0.311 1.00 0.00 N ATOM 1761 CA HIS A 116 -11.553 5.232 -0.496 1.00 0.00 C ATOM 1762 C HIS A 116 -12.220 6.497 0.046 1.00 0.00 C ATOM 1763 O HIS A 116 -12.745 7.313 -0.708 1.00 0.00 O ATOM 1764 CB HIS A 116 -11.862 4.930 -1.974 1.00 0.00 C ATOM 1765 CG HIS A 116 -13.262 4.445 -2.263 1.00 0.00 C ATOM 1766 ND1 HIS A 116 -14.344 5.246 -2.580 1.00 0.00 N ATOM 1767 CD2 HIS A 116 -13.632 3.137 -2.434 1.00 0.00 C ATOM 1768 CE1 HIS A 116 -15.345 4.427 -2.963 1.00 0.00 C ATOM 1769 NE2 HIS A 116 -14.935 3.144 -2.895 1.00 0.00 N ATOM 0 H HIS A 116 -12.894 3.875 0.334 1.00 0.00 H new ATOM 0 HA HIS A 116 -10.485 5.440 -0.431 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -11.683 5.834 -2.556 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -11.156 4.178 -2.328 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -13.022 2.266 -2.245 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -16.327 4.750 -3.277 1.00 0.00 H new ATOM 0 HE2 HIS A 116 -15.489 2.323 -3.141 1.00 0.00 H new ATOM 1778 N ASP A 117 -12.249 6.649 1.368 1.00 0.00 N ATOM 1779 CA ASP A 117 -12.942 7.723 2.090 1.00 0.00 C ATOM 1780 C ASP A 117 -11.973 8.600 2.897 1.00 0.00 C ATOM 1781 O ASP A 117 -12.251 9.770 3.169 1.00 0.00 O ATOM 1782 CB ASP A 117 -13.954 7.086 3.058 1.00 0.00 C ATOM 1783 CG ASP A 117 -13.243 6.444 4.260 1.00 0.00 C ATOM 1784 OD1 ASP A 117 -12.365 5.579 4.029 1.00 0.00 O ATOM 1785 OD2 ASP A 117 -13.477 6.874 5.412 1.00 0.00 O ATOM 0 H ASP A 117 -11.771 6.002 1.995 1.00 0.00 H new ATOM 0 HA ASP A 117 -13.435 8.360 1.356 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -14.654 7.845 3.408 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -14.539 6.331 2.532 1.00 0.00 H new ATOM 1790 N HIS A 118 -10.831 8.045 3.303 1.00 0.00 N ATOM 1791 CA HIS A 118 -9.954 8.575 4.339 1.00 0.00 C ATOM 1792 C HIS A 118 -8.512 8.332 3.916 1.00 0.00 C ATOM 1793 O HIS A 118 -8.247 7.371 3.196 1.00 0.00 O ATOM 1794 CB HIS A 118 -10.303 7.877 5.656 1.00 0.00 C ATOM 1795 CG HIS A 118 -9.335 8.107 6.784 1.00 0.00 C ATOM 1796 ND1 HIS A 118 -8.365 7.214 7.192 1.00 0.00 N ATOM 1797 CD2 HIS A 118 -9.350 9.157 7.656 1.00 0.00 C ATOM 1798 CE1 HIS A 118 -7.804 7.714 8.309 1.00 0.00 C ATOM 1799 NE2 HIS A 118 -8.385 8.894 8.605 1.00 0.00 N ATOM 0 H HIS A 118 -10.480 7.177 2.899 1.00 0.00 H new ATOM 0 HA HIS A 118 -10.083 9.648 4.480 1.00 0.00 H new ATOM 0 HB2 HIS A 118 -11.291 8.211 5.974 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -10.372 6.805 5.472 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -9.992 10.024 7.611 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -7.015 7.245 8.877 1.00 0.00 H new ATOM 0 HE2 HIS A 118 -8.150 9.492 9.398 1.00 0.00 H new ATOM 1808 N HIS A 119 -7.589 9.185 4.367 1.00 0.00 N ATOM 1809 CA HIS A 119 -6.144 9.034 4.209 1.00 0.00 C ATOM 1810 C HIS A 119 -5.431 9.894 5.262 1.00 0.00 C ATOM 1811 O HIS A 119 -6.086 10.378 6.193 1.00 0.00 O ATOM 1812 CB HIS A 119 -5.704 9.300 2.753 1.00 0.00 C ATOM 1813 CG HIS A 119 -6.046 10.626 2.104 1.00 0.00 C ATOM 1814 ND1 HIS A 119 -7.273 11.279 2.088 1.00 0.00 N ATOM 1815 CD2 HIS A 119 -5.249 11.226 1.167 1.00 0.00 C ATOM 1816 CE1 HIS A 119 -7.209 12.248 1.158 1.00 0.00 C ATOM 1817 NE2 HIS A 119 -5.988 12.241 0.595 1.00 0.00 N ATOM 0 H HIS A 119 -7.841 10.034 4.873 1.00 0.00 H new ATOM 0 HA HIS A 119 -5.848 8.001 4.393 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -4.621 9.185 2.712 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -6.131 8.512 2.133 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -4.233 10.956 0.921 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -8.011 12.925 0.904 1.00 0.00 H new ATOM 0 HE2 HIS A 119 -5.663 12.878 -0.132 1.00 0.00 H new ATOM 1826 N HIS A 120 -4.103 10.045 5.188 1.00 0.00 N ATOM 1827 CA HIS A 120 -3.287 10.796 6.150 1.00 0.00 C ATOM 1828 C HIS A 120 -2.329 11.712 5.384 1.00 0.00 C ATOM 1829 O HIS A 120 -1.120 11.742 5.636 1.00 0.00 O ATOM 1830 CB HIS A 120 -2.580 9.797 7.083 1.00 0.00 C ATOM 1831 CG HIS A 120 -1.807 10.423 8.214 1.00 0.00 C ATOM 1832 ND1 HIS A 120 -2.327 11.145 9.270 1.00 0.00 N ATOM 1833 CD2 HIS A 120 -0.448 10.381 8.351 1.00 0.00 C ATOM 1834 CE1 HIS A 120 -1.283 11.538 10.026 1.00 0.00 C ATOM 1835 NE2 HIS A 120 -0.130 11.090 9.491 1.00 0.00 N ATOM 0 H HIS A 120 -3.550 9.636 4.435 1.00 0.00 H new ATOM 0 HA HIS A 120 -3.896 11.443 6.782 1.00 0.00 H new ATOM 0 HB2 HIS A 120 -3.327 9.123 7.502 1.00 0.00 H new ATOM 0 HB3 HIS A 120 -1.898 9.188 6.490 1.00 0.00 H new ATOM 0 HD2 HIS A 120 0.247 9.885 7.690 1.00 0.00 H new ATOM 0 HE1 HIS A 120 -1.359 12.126 10.929 1.00 0.00 H new ATOM 0 HE2 HIS A 120 0.807 11.247 9.862 1.00 0.00 H new ATOM 1844 N HIS A 121 -2.865 12.452 4.411 1.00 0.00 N ATOM 1845 CA HIS A 121 -2.232 12.734 3.124 1.00 0.00 C ATOM 1846 C HIS A 121 -1.831 11.425 2.436 1.00 0.00 C ATOM 1847 O HIS A 121 -1.937 10.338 3.001 1.00 0.00 O ATOM 1848 CB HIS A 121 -1.017 13.670 3.247 1.00 0.00 C ATOM 1849 CG HIS A 121 -1.263 15.027 3.861 1.00 0.00 C ATOM 1850 ND1 HIS A 121 -1.291 16.220 3.163 1.00 0.00 N ATOM 1851 CD2 HIS A 121 -1.325 15.310 5.200 1.00 0.00 C ATOM 1852 CE1 HIS A 121 -1.368 17.208 4.077 1.00 0.00 C ATOM 1853 NE2 HIS A 121 -1.390 16.685 5.319 1.00 0.00 N ATOM 0 H HIS A 121 -3.784 12.886 4.502 1.00 0.00 H new ATOM 0 HA HIS A 121 -2.969 13.257 2.515 1.00 0.00 H new ATOM 0 HB2 HIS A 121 -0.255 13.162 3.839 1.00 0.00 H new ATOM 0 HB3 HIS A 121 -0.600 13.818 2.251 1.00 0.00 H new ATOM 0 HD2 HIS A 121 -1.323 14.594 6.009 1.00 0.00 H new ATOM 0 HE1 HIS A 121 -1.406 18.263 3.848 1.00 0.00 H new ATOM 0 HE2 HIS A 121 -1.445 17.211 6.191 1.00 0.00 H new ATOM 1862 N GLU A 122 -1.363 11.530 1.200 1.00 0.00 N ATOM 1863 CA GLU A 122 -0.529 10.515 0.583 1.00 0.00 C ATOM 1864 C GLU A 122 0.842 10.573 1.252 1.00 0.00 C ATOM 1865 O GLU A 122 1.114 9.713 2.085 1.00 0.00 O ATOM 1866 CB GLU A 122 -0.488 10.756 -0.929 1.00 0.00 C ATOM 1867 CG GLU A 122 -1.746 10.152 -1.550 1.00 0.00 C ATOM 1868 CD GLU A 122 -2.063 10.754 -2.909 1.00 0.00 C ATOM 1869 OE1 GLU A 122 -1.347 10.466 -3.891 1.00 0.00 O ATOM 1870 OE2 GLU A 122 -3.064 11.505 -2.965 1.00 0.00 O ATOM 0 H GLU A 122 -1.554 12.329 0.595 1.00 0.00 H new ATOM 0 HA GLU A 122 -0.923 9.508 0.722 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -0.436 11.824 -1.141 1.00 0.00 H new ATOM 0 HB3 GLU A 122 0.404 10.301 -1.361 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -1.616 9.075 -1.653 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -2.591 10.309 -0.879 1.00 0.00 H new ATOM 1877 N HIS A 123 1.660 11.598 0.963 1.00 0.00 N ATOM 1878 CA HIS A 123 3.108 11.658 1.195 1.00 0.00 C ATOM 1879 C HIS A 123 3.804 10.636 0.295 1.00 0.00 C ATOM 1880 O HIS A 123 3.661 9.429 0.500 1.00 0.00 O ATOM 1881 CB HIS A 123 3.491 11.467 2.679 1.00 0.00 C ATOM 1882 CG HIS A 123 4.924 11.836 2.980 1.00 0.00 C ATOM 1883 ND1 HIS A 123 6.044 11.117 2.602 1.00 0.00 N ATOM 1884 CD2 HIS A 123 5.346 12.988 3.586 1.00 0.00 C ATOM 1885 CE1 HIS A 123 7.126 11.842 2.928 1.00 0.00 C ATOM 1886 NE2 HIS A 123 6.727 12.973 3.538 1.00 0.00 N ATOM 0 H HIS A 123 1.306 12.455 0.537 1.00 0.00 H new ATOM 0 HA HIS A 123 3.449 12.661 0.937 1.00 0.00 H new ATOM 0 HB2 HIS A 123 2.830 12.073 3.298 1.00 0.00 H new ATOM 0 HB3 HIS A 123 3.325 10.427 2.959 1.00 0.00 H new ATOM 0 HD1 HIS A 123 6.047 10.200 2.155 1.00 0.00 H new ATOM 0 HD2 HIS A 123 4.723 13.757 4.017 1.00 0.00 H new ATOM 0 HE1 HIS A 123 8.151 11.563 2.732 1.00 0.00 H new ATOM 1895 N HIS A 124 4.574 11.100 -0.687 1.00 0.00 N ATOM 1896 CA HIS A 124 5.586 10.270 -1.327 1.00 0.00 C ATOM 1897 C HIS A 124 6.677 10.121 -0.279 1.00 0.00 C ATOM 1898 O HIS A 124 6.521 9.299 0.650 1.00 0.00 O ATOM 1899 CB HIS A 124 6.084 10.912 -2.634 1.00 0.00 C ATOM 1900 CG HIS A 124 5.007 11.113 -3.669 1.00 0.00 C ATOM 1901 ND1 HIS A 124 4.224 12.247 -3.800 1.00 0.00 N ATOM 1902 CD2 HIS A 124 4.603 10.200 -4.606 1.00 0.00 C ATOM 1903 CE1 HIS A 124 3.351 12.018 -4.797 1.00 0.00 C ATOM 1904 NE2 HIS A 124 3.574 10.792 -5.311 1.00 0.00 N ATOM 0 H HIS A 124 4.514 12.049 -1.056 1.00 0.00 H new ATOM 0 HA HIS A 124 5.206 9.295 -1.633 1.00 0.00 H new ATOM 0 HB2 HIS A 124 6.536 11.877 -2.403 1.00 0.00 H new ATOM 0 HB3 HIS A 124 6.869 10.285 -3.058 1.00 0.00 H new ATOM 0 HD2 HIS A 124 5.009 9.212 -4.763 1.00 0.00 H new ATOM 0 HE1 HIS A 124 2.591 12.708 -5.133 1.00 0.00 H new ATOM 0 HE2 HIS A 124 3.067 10.372 -6.090 1.00 0.00 H new TER 1913 HIS A 124