USER MOD reduce.3.24.130724 H: found=0, std=0, add=770, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 770 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 38 TYR OH : rot 1:sc= 0.753 USER MOD Set 1.2: A 55 HIS : no HE2:sc= -0.254 K(o=0.5,f=-2.7) USER MOD Set 2.1: A 53 THR OG1 : rot 142:sc= 0.866 USER MOD Set 2.2: A 62 HIS : no HE2:sc= -1.44 K(o=-0.58,f=-1.7) USER MOD Set 3.1: A 26 LYS NZ :NH3+ 167:sc= 0.119 (180deg=-0.501) USER MOD Set 3.2: A 29 GLN : amide:sc= -0.0305 K(o=0.089,f=-4.3!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -145:sc= -0.0226 (180deg=-0.426) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 ASN : amide:sc= -0.277 X(o=-0.28,f=-0.3) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -2.92! C(o=-2.9!,f=-13!) USER MOD Single : A 9 ASN : amide:sc= -0.919 K(o=-0.92,f=0.47) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 92:sc= 1.23 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 180:sc= -0.706 USER MOD Single : A 35 ASN : amide:sc= -1.11 K(o=-1.1,f=-2.1) USER MOD Single : A 36 GLN : amide:sc= -0.905 K(o=-0.9,f=-3.5!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ -162:sc= -0.0206 (180deg=-0.186) USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.581 USER MOD Single : A 48 HIS : no HD1:sc= -6.4! C(o=-6.4!,f=-5.8!) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot -42:sc= 0.123 USER MOD Single : A 57 ASN : amide:sc= -1.28 K(o=-1.3,f=-6.4!) USER MOD Single : A 64 SER OG : rot 30:sc= 0.432 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 MET CE :methyl -140:sc= -18.8! (180deg=-23.8!) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ -161:sc=-0.00233 (180deg=-0.138) USER MOD Single : A 84 GLN : amide:sc= -0.303 K(o=-0.3,f=-2.8!) USER MOD Single : A 86 THR OG1 : rot -75:sc= 0.807 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 HIS : no HD1:sc= -6.29! K(o=-6.3!,f=-2) USER MOD Single : A 89 LYS NZ :NH3+ 157:sc= -0.123 (180deg=-1.5!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ -164:sc=-0.00665 (180deg=-0.112) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.067 -17.584 -4.786 1.00 0.00 N ATOM 2 CA MET A 1 1.410 -16.719 -3.627 1.00 0.00 C ATOM 3 C MET A 1 1.896 -15.348 -4.088 1.00 0.00 C ATOM 4 O MET A 1 3.094 -15.135 -4.275 1.00 0.00 O ATOM 5 CB MET A 1 2.496 -17.414 -2.804 1.00 0.00 C ATOM 6 CG MET A 1 2.140 -18.839 -2.408 1.00 0.00 C ATOM 7 SD MET A 1 3.386 -19.596 -1.348 1.00 0.00 S ATOM 8 CE MET A 1 2.440 -20.927 -0.612 1.00 0.00 C ATOM 0 H1 MET A 1 0.256 -18.187 -4.541 1.00 0.00 H new ATOM 0 H2 MET A 1 0.822 -16.989 -5.603 1.00 0.00 H new ATOM 0 H3 MET A 1 1.883 -18.182 -5.026 1.00 0.00 H new ATOM 0 HA MET A 1 0.518 -16.565 -3.019 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.423 -17.426 -3.377 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.686 -16.832 -1.902 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.180 -18.840 -1.892 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.018 -19.442 -3.308 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.075 -21.490 0.072 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.594 -20.512 -0.063 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.074 -21.590 -1.396 1.00 0.00 H new ATOM 20 N GLN A 2 0.959 -14.424 -4.266 1.00 0.00 N ATOM 21 CA GLN A 2 1.289 -13.072 -4.704 1.00 0.00 C ATOM 22 C GLN A 2 0.446 -12.043 -3.954 1.00 0.00 C ATOM 23 O GLN A 2 -0.120 -12.343 -2.902 1.00 0.00 O ATOM 24 CB GLN A 2 1.071 -12.939 -6.214 1.00 0.00 C ATOM 25 CG GLN A 2 2.293 -12.433 -6.963 1.00 0.00 C ATOM 26 CD GLN A 2 2.267 -12.796 -8.434 1.00 0.00 C ATOM 27 OE1 GLN A 2 1.339 -12.432 -9.159 1.00 0.00 O ATOM 28 NE2 GLN A 2 3.286 -13.517 -8.886 1.00 0.00 N ATOM 0 H GLN A 2 -0.036 -14.586 -4.114 1.00 0.00 H new ATOM 0 HA GLN A 2 2.339 -12.883 -4.482 1.00 0.00 H new ATOM 0 HB2 GLN A 2 0.784 -13.910 -6.618 1.00 0.00 H new ATOM 0 HB3 GLN A 2 0.238 -12.260 -6.394 1.00 0.00 H new ATOM 0 HG2 GLN A 2 2.354 -11.349 -6.861 1.00 0.00 H new ATOM 0 HG3 GLN A 2 3.192 -12.847 -6.506 1.00 0.00 H new ATOM 0 HE21 GLN A 2 4.034 -13.797 -8.251 1.00 0.00 H new ATOM 0 HE22 GLN A 2 3.321 -13.791 -9.868 1.00 0.00 H new ATOM 37 N LEU A 3 0.360 -10.833 -4.498 1.00 0.00 N ATOM 38 CA LEU A 3 -0.422 -9.772 -3.873 1.00 0.00 C ATOM 39 C LEU A 3 -1.735 -9.555 -4.621 1.00 0.00 C ATOM 40 O LEU A 3 -1.779 -9.609 -5.850 1.00 0.00 O ATOM 41 CB LEU A 3 0.382 -8.469 -3.819 1.00 0.00 C ATOM 42 CG LEU A 3 0.550 -7.738 -5.155 1.00 0.00 C ATOM 43 CD1 LEU A 3 0.359 -6.240 -4.972 1.00 0.00 C ATOM 44 CD2 LEU A 3 1.919 -8.030 -5.755 1.00 0.00 C ATOM 0 H LEU A 3 0.820 -10.563 -5.367 1.00 0.00 H new ATOM 0 HA LEU A 3 -0.654 -10.078 -2.853 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -0.102 -7.793 -3.114 1.00 0.00 H new ATOM 0 HB3 LEU A 3 1.372 -8.690 -3.420 1.00 0.00 H new ATOM 0 HG LEU A 3 -0.213 -8.101 -5.843 1.00 0.00 H new ATOM 0 HD11 LEU A 3 0.482 -5.738 -5.931 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -0.642 -6.045 -4.586 1.00 0.00 H new ATOM 0 HD13 LEU A 3 1.100 -5.862 -4.267 1.00 0.00 H new ATOM 0 HD21 LEU A 3 2.021 -7.503 -6.703 1.00 0.00 H new ATOM 0 HD22 LEU A 3 2.696 -7.695 -5.068 1.00 0.00 H new ATOM 0 HD23 LEU A 3 2.021 -9.102 -5.923 1.00 0.00 H new ATOM 56 N ASN A 4 -2.806 -9.317 -3.871 1.00 0.00 N ATOM 57 CA ASN A 4 -4.119 -9.098 -4.466 1.00 0.00 C ATOM 58 C ASN A 4 -4.890 -8.018 -3.713 1.00 0.00 C ATOM 59 O ASN A 4 -4.592 -7.715 -2.559 1.00 0.00 O ATOM 60 CB ASN A 4 -4.921 -10.399 -4.476 1.00 0.00 C ATOM 61 CG ASN A 4 -6.155 -10.312 -5.351 1.00 0.00 C ATOM 62 OD1 ASN A 4 -6.069 -9.983 -6.535 1.00 0.00 O ATOM 63 ND2 ASN A 4 -7.314 -10.606 -4.773 1.00 0.00 N ATOM 0 H ASN A 4 -2.791 -9.271 -2.852 1.00 0.00 H new ATOM 0 HA ASN A 4 -3.970 -8.761 -5.492 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -4.286 -11.211 -4.829 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -5.219 -10.647 -3.457 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -8.178 -10.564 -5.313 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -7.340 -10.874 -3.789 1.00 0.00 H new ATOM 70 N ILE A 5 -5.884 -7.443 -4.381 1.00 0.00 N ATOM 71 CA ILE A 5 -6.708 -6.397 -3.784 1.00 0.00 C ATOM 72 C ILE A 5 -8.187 -6.726 -3.930 1.00 0.00 C ATOM 73 O ILE A 5 -8.585 -7.437 -4.852 1.00 0.00 O ATOM 74 CB ILE A 5 -6.437 -5.015 -4.421 1.00 0.00 C ATOM 75 CG1 ILE A 5 -5.955 -5.165 -5.866 1.00 0.00 C ATOM 76 CG2 ILE A 5 -5.419 -4.241 -3.594 1.00 0.00 C ATOM 77 CD1 ILE A 5 -5.995 -3.873 -6.654 1.00 0.00 C ATOM 0 H ILE A 5 -6.140 -7.684 -5.339 1.00 0.00 H new ATOM 0 HA ILE A 5 -6.441 -6.352 -2.728 1.00 0.00 H new ATOM 0 HB ILE A 5 -7.372 -4.455 -4.434 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -4.934 -5.547 -5.862 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -6.572 -5.908 -6.371 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -5.238 -3.270 -4.055 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -5.804 -4.097 -2.584 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -4.485 -4.801 -3.550 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -5.640 -4.054 -7.668 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -7.019 -3.500 -6.689 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -5.355 -3.133 -6.173 1.00 0.00 H new ATOM 89 N THR A 6 -9.002 -6.197 -3.023 1.00 0.00 N ATOM 90 CA THR A 6 -10.441 -6.429 -3.061 1.00 0.00 C ATOM 91 C THR A 6 -11.187 -5.160 -2.669 1.00 0.00 C ATOM 92 O THR A 6 -11.025 -4.652 -1.560 1.00 0.00 O ATOM 93 CB THR A 6 -10.822 -7.574 -2.122 1.00 0.00 C ATOM 94 OG1 THR A 6 -9.998 -8.704 -2.348 1.00 0.00 O ATOM 95 CG2 THR A 6 -12.261 -8.019 -2.275 1.00 0.00 C ATOM 0 H THR A 6 -8.690 -5.605 -2.253 1.00 0.00 H new ATOM 0 HA THR A 6 -10.722 -6.705 -4.077 1.00 0.00 H new ATOM 0 HB THR A 6 -10.684 -7.180 -1.115 1.00 0.00 H new ATOM 0 HG1 THR A 6 -10.257 -9.425 -1.737 1.00 0.00 H new ATOM 0 HG21 THR A 6 -12.466 -8.834 -1.580 1.00 0.00 H new ATOM 0 HG22 THR A 6 -12.925 -7.182 -2.059 1.00 0.00 H new ATOM 0 HG23 THR A 6 -12.429 -8.362 -3.296 1.00 0.00 H new ATOM 103 N GLY A 7 -11.998 -4.647 -3.587 1.00 0.00 N ATOM 104 CA GLY A 7 -12.745 -3.435 -3.315 1.00 0.00 C ATOM 105 C GLY A 7 -14.191 -3.705 -2.952 1.00 0.00 C ATOM 106 O GLY A 7 -14.882 -4.456 -3.639 1.00 0.00 O ATOM 0 H GLY A 7 -12.151 -5.048 -4.512 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -12.266 -2.894 -2.499 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.710 -2.788 -4.191 1.00 0.00 H new ATOM 110 N ASN A 8 -14.649 -3.084 -1.871 1.00 0.00 N ATOM 111 CA ASN A 8 -16.024 -3.251 -1.413 1.00 0.00 C ATOM 112 C ASN A 8 -16.830 -1.978 -1.660 1.00 0.00 C ATOM 113 O ASN A 8 -16.535 -0.927 -1.095 1.00 0.00 O ATOM 114 CB ASN A 8 -16.062 -3.614 0.076 1.00 0.00 C ATOM 115 CG ASN A 8 -15.015 -2.880 0.896 1.00 0.00 C ATOM 116 OD1 ASN A 8 -14.278 -2.043 0.380 1.00 0.00 O ATOM 117 ND2 ASN A 8 -14.947 -3.197 2.184 1.00 0.00 N ATOM 0 H ASN A 8 -14.087 -2.459 -1.294 1.00 0.00 H new ATOM 0 HA ASN A 8 -16.471 -4.067 -1.981 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -17.051 -3.387 0.474 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -15.913 -4.688 0.186 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -14.263 -2.739 2.786 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -15.579 -3.898 2.571 1.00 0.00 H new ATOM 124 N ASN A 9 -17.844 -2.083 -2.515 1.00 0.00 N ATOM 125 CA ASN A 9 -18.689 -0.939 -2.844 1.00 0.00 C ATOM 126 C ASN A 9 -17.911 0.093 -3.654 1.00 0.00 C ATOM 127 O ASN A 9 -18.147 1.295 -3.537 1.00 0.00 O ATOM 128 CB ASN A 9 -19.243 -0.295 -1.569 1.00 0.00 C ATOM 129 CG ASN A 9 -20.461 0.566 -1.839 1.00 0.00 C ATOM 130 OD1 ASN A 9 -20.357 1.645 -2.422 1.00 0.00 O ATOM 131 ND2 ASN A 9 -21.626 0.093 -1.412 1.00 0.00 N ATOM 0 H ASN A 9 -18.100 -2.948 -2.992 1.00 0.00 H new ATOM 0 HA ASN A 9 -19.523 -1.298 -3.447 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -19.504 -1.076 -0.855 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -18.467 0.314 -1.106 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -22.480 0.629 -1.563 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -21.666 -0.807 -0.933 1.00 0.00 H new ATOM 138 N VAL A 10 -16.988 -0.388 -4.482 1.00 0.00 N ATOM 139 CA VAL A 10 -16.180 0.489 -5.323 1.00 0.00 C ATOM 140 C VAL A 10 -15.737 -0.226 -6.596 1.00 0.00 C ATOM 141 O VAL A 10 -15.310 -1.380 -6.554 1.00 0.00 O ATOM 142 CB VAL A 10 -14.941 1.006 -4.571 1.00 0.00 C ATOM 143 CG1 VAL A 10 -14.033 -0.144 -4.185 1.00 0.00 C ATOM 144 CG2 VAL A 10 -14.195 2.030 -5.414 1.00 0.00 C ATOM 0 H VAL A 10 -16.781 -1.381 -4.588 1.00 0.00 H new ATOM 0 HA VAL A 10 -16.808 1.339 -5.590 1.00 0.00 H new ATOM 0 HB VAL A 10 -15.271 1.496 -3.655 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -13.163 0.242 -3.654 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -14.575 -0.835 -3.539 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -13.707 -0.668 -5.084 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -13.322 2.385 -4.867 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -13.875 1.568 -6.348 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -14.853 2.871 -5.632 1.00 0.00 H new ATOM 154 N GLU A 11 -15.839 0.466 -7.726 1.00 0.00 N ATOM 155 CA GLU A 11 -15.446 -0.105 -9.011 1.00 0.00 C ATOM 156 C GLU A 11 -13.926 -0.155 -9.142 1.00 0.00 C ATOM 157 O GLU A 11 -13.254 0.873 -9.080 1.00 0.00 O ATOM 158 CB GLU A 11 -16.042 0.709 -10.159 1.00 0.00 C ATOM 159 CG GLU A 11 -15.703 2.189 -10.097 1.00 0.00 C ATOM 160 CD GLU A 11 -16.897 3.048 -9.730 1.00 0.00 C ATOM 161 OE1 GLU A 11 -17.834 3.144 -10.551 1.00 0.00 O ATOM 162 OE2 GLU A 11 -16.897 3.626 -8.622 1.00 0.00 O ATOM 0 H GLU A 11 -16.190 1.422 -7.779 1.00 0.00 H new ATOM 0 HA GLU A 11 -15.831 -1.124 -9.060 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -15.685 0.303 -11.105 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -17.126 0.593 -10.151 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -14.910 2.345 -9.366 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -15.314 2.509 -11.063 1.00 0.00 H new ATOM 169 N ILE A 12 -13.392 -1.361 -9.324 1.00 0.00 N ATOM 170 CA ILE A 12 -11.951 -1.544 -9.465 1.00 0.00 C ATOM 171 C ILE A 12 -11.503 -1.276 -10.899 1.00 0.00 C ATOM 172 O ILE A 12 -11.541 -2.164 -11.749 1.00 0.00 O ATOM 173 CB ILE A 12 -11.525 -2.972 -9.057 1.00 0.00 C ATOM 174 CG1 ILE A 12 -11.908 -3.244 -7.599 1.00 0.00 C ATOM 175 CG2 ILE A 12 -10.028 -3.168 -9.266 1.00 0.00 C ATOM 176 CD1 ILE A 12 -11.054 -2.498 -6.595 1.00 0.00 C ATOM 0 H ILE A 12 -13.935 -2.223 -9.377 1.00 0.00 H new ATOM 0 HA ILE A 12 -11.470 -0.827 -8.799 1.00 0.00 H new ATOM 0 HB ILE A 12 -12.051 -3.685 -9.692 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -12.952 -2.969 -7.450 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -11.829 -4.314 -7.406 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -9.749 -4.180 -8.973 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -9.784 -3.015 -10.317 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -9.479 -2.449 -8.658 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -11.384 -2.741 -5.585 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -10.011 -2.791 -6.716 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -11.151 -1.425 -6.761 1.00 0.00 H new ATOM 188 N THR A 13 -11.077 -0.043 -11.159 1.00 0.00 N ATOM 189 CA THR A 13 -10.616 0.342 -12.489 1.00 0.00 C ATOM 190 C THR A 13 -9.095 0.296 -12.568 1.00 0.00 C ATOM 191 O THR A 13 -8.408 0.556 -11.579 1.00 0.00 O ATOM 192 CB THR A 13 -11.117 1.743 -12.839 1.00 0.00 C ATOM 193 OG1 THR A 13 -10.695 2.685 -11.868 1.00 0.00 O ATOM 194 CG2 THR A 13 -12.624 1.833 -12.943 1.00 0.00 C ATOM 0 H THR A 13 -11.042 0.706 -10.467 1.00 0.00 H new ATOM 0 HA THR A 13 -11.021 -0.369 -13.209 1.00 0.00 H new ATOM 0 HB THR A 13 -10.689 1.965 -13.816 1.00 0.00 H new ATOM 0 HG1 THR A 13 -11.024 3.575 -12.111 1.00 0.00 H new ATOM 0 HG21 THR A 13 -12.911 2.854 -13.194 1.00 0.00 H new ATOM 0 HG22 THR A 13 -12.976 1.156 -13.721 1.00 0.00 H new ATOM 0 HG23 THR A 13 -13.072 1.554 -11.989 1.00 0.00 H new ATOM 202 N GLU A 14 -8.575 -0.047 -13.745 1.00 0.00 N ATOM 203 CA GLU A 14 -7.131 -0.144 -13.965 1.00 0.00 C ATOM 204 C GLU A 14 -6.369 0.969 -13.245 1.00 0.00 C ATOM 205 O GLU A 14 -5.245 0.765 -12.789 1.00 0.00 O ATOM 206 CB GLU A 14 -6.823 -0.097 -15.464 1.00 0.00 C ATOM 207 CG GLU A 14 -6.473 -1.453 -16.055 1.00 0.00 C ATOM 208 CD GLU A 14 -7.685 -2.181 -16.603 1.00 0.00 C ATOM 209 OE1 GLU A 14 -8.671 -1.504 -16.964 1.00 0.00 O ATOM 210 OE2 GLU A 14 -7.647 -3.427 -16.675 1.00 0.00 O ATOM 0 H GLU A 14 -9.137 -0.264 -14.568 1.00 0.00 H new ATOM 0 HA GLU A 14 -6.800 -1.097 -13.552 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -7.687 0.308 -15.992 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.994 0.590 -15.635 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.742 -1.320 -16.853 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.000 -2.068 -15.289 1.00 0.00 H new ATOM 217 N ALA A 15 -6.983 2.142 -13.146 1.00 0.00 N ATOM 218 CA ALA A 15 -6.355 3.275 -12.478 1.00 0.00 C ATOM 219 C ALA A 15 -6.195 3.011 -10.986 1.00 0.00 C ATOM 220 O ALA A 15 -5.126 3.235 -10.417 1.00 0.00 O ATOM 221 CB ALA A 15 -7.169 4.540 -12.709 1.00 0.00 C ATOM 0 H ALA A 15 -7.913 2.333 -13.519 1.00 0.00 H new ATOM 0 HA ALA A 15 -5.361 3.413 -12.904 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -6.689 5.379 -12.205 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -7.228 4.745 -13.778 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -8.174 4.404 -12.310 1.00 0.00 H new ATOM 227 N LEU A 16 -7.264 2.528 -10.358 1.00 0.00 N ATOM 228 CA LEU A 16 -7.245 2.228 -8.931 1.00 0.00 C ATOM 229 C LEU A 16 -6.135 1.235 -8.598 1.00 0.00 C ATOM 230 O LEU A 16 -5.169 1.574 -7.915 1.00 0.00 O ATOM 231 CB LEU A 16 -8.597 1.664 -8.490 1.00 0.00 C ATOM 232 CG LEU A 16 -9.029 2.045 -7.075 1.00 0.00 C ATOM 233 CD1 LEU A 16 -9.691 3.416 -7.070 1.00 0.00 C ATOM 234 CD2 LEU A 16 -9.967 0.993 -6.501 1.00 0.00 C ATOM 0 H LEU A 16 -8.155 2.336 -10.816 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.052 3.156 -8.393 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -9.360 2.004 -9.190 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -8.560 0.577 -8.561 1.00 0.00 H new ATOM 0 HG LEU A 16 -8.141 2.091 -6.444 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -9.992 3.671 -6.054 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -8.986 4.162 -7.437 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -10.569 3.398 -7.715 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -10.264 1.282 -5.493 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -10.853 0.913 -7.131 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -9.457 0.030 -6.467 1.00 0.00 H new ATOM 246 N ARG A 17 -6.281 0.008 -9.091 1.00 0.00 N ATOM 247 CA ARG A 17 -5.291 -1.039 -8.850 1.00 0.00 C ATOM 248 C ARG A 17 -3.879 -0.519 -9.105 1.00 0.00 C ATOM 249 O ARG A 17 -2.946 -0.833 -8.364 1.00 0.00 O ATOM 250 CB ARG A 17 -5.570 -2.255 -9.737 1.00 0.00 C ATOM 251 CG ARG A 17 -5.598 -1.932 -11.222 1.00 0.00 C ATOM 252 CD ARG A 17 -5.623 -3.195 -12.069 1.00 0.00 C ATOM 253 NE ARG A 17 -4.301 -3.810 -12.180 1.00 0.00 N ATOM 254 CZ ARG A 17 -3.839 -4.744 -11.349 1.00 0.00 C ATOM 255 NH1 ARG A 17 -4.581 -5.171 -10.334 1.00 0.00 N ATOM 256 NH2 ARG A 17 -2.629 -5.253 -11.534 1.00 0.00 N ATOM 0 H ARG A 17 -7.075 -0.286 -9.660 1.00 0.00 H new ATOM 0 HA ARG A 17 -5.366 -1.340 -7.805 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -4.807 -3.011 -9.553 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -6.527 -2.691 -9.451 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -6.475 -1.325 -11.447 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -4.723 -1.336 -11.482 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -6.319 -3.910 -11.632 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -5.996 -2.956 -13.065 1.00 0.00 H new ATOM 0 HE ARG A 17 -3.694 -3.505 -12.941 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -5.513 -4.784 -10.185 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -4.219 -5.886 -9.703 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -2.053 -4.930 -12.311 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -2.274 -5.968 -10.899 1.00 0.00 H new ATOM 270 N GLU A 18 -3.731 0.281 -10.156 1.00 0.00 N ATOM 271 CA GLU A 18 -2.437 0.850 -10.509 1.00 0.00 C ATOM 272 C GLU A 18 -1.920 1.753 -9.395 1.00 0.00 C ATOM 273 O GLU A 18 -0.789 1.601 -8.934 1.00 0.00 O ATOM 274 CB GLU A 18 -2.543 1.640 -11.816 1.00 0.00 C ATOM 275 CG GLU A 18 -2.196 0.823 -13.049 1.00 0.00 C ATOM 276 CD GLU A 18 -0.723 0.469 -13.118 1.00 0.00 C ATOM 277 OE1 GLU A 18 0.092 1.203 -12.520 1.00 0.00 O ATOM 278 OE2 GLU A 18 -0.384 -0.542 -13.768 1.00 0.00 O ATOM 0 H GLU A 18 -4.493 0.550 -10.778 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.731 0.031 -10.645 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.558 2.023 -11.918 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.880 2.504 -11.764 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.787 -0.093 -13.051 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.473 1.383 -13.942 1.00 0.00 H new ATOM 285 N PHE A 19 -2.755 2.698 -8.966 1.00 0.00 N ATOM 286 CA PHE A 19 -2.381 3.630 -7.903 1.00 0.00 C ATOM 287 C PHE A 19 -1.803 2.890 -6.701 1.00 0.00 C ATOM 288 O PHE A 19 -0.737 3.242 -6.197 1.00 0.00 O ATOM 289 CB PHE A 19 -3.594 4.457 -7.472 1.00 0.00 C ATOM 290 CG PHE A 19 -3.263 5.529 -6.471 1.00 0.00 C ATOM 291 CD1 PHE A 19 -3.198 5.236 -5.118 1.00 0.00 C ATOM 292 CD2 PHE A 19 -3.021 6.829 -6.885 1.00 0.00 C ATOM 293 CE1 PHE A 19 -2.895 6.220 -4.197 1.00 0.00 C ATOM 294 CE2 PHE A 19 -2.717 7.817 -5.967 1.00 0.00 C ATOM 295 CZ PHE A 19 -2.654 7.512 -4.622 1.00 0.00 C ATOM 0 H PHE A 19 -3.694 2.839 -9.338 1.00 0.00 H new ATOM 0 HA PHE A 19 -1.614 4.297 -8.296 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -4.041 4.919 -8.353 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -4.345 3.792 -7.045 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -3.386 4.228 -4.780 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.070 7.073 -7.936 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -2.847 5.979 -3.145 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -2.529 8.826 -6.302 1.00 0.00 H new ATOM 0 HZ PHE A 19 -2.417 8.282 -3.903 1.00 0.00 H new ATOM 305 N VAL A 20 -2.511 1.861 -6.248 1.00 0.00 N ATOM 306 CA VAL A 20 -2.060 1.069 -5.108 1.00 0.00 C ATOM 307 C VAL A 20 -0.712 0.425 -5.408 1.00 0.00 C ATOM 308 O VAL A 20 0.235 0.546 -4.630 1.00 0.00 O ATOM 309 CB VAL A 20 -3.075 -0.030 -4.740 1.00 0.00 C ATOM 310 CG1 VAL A 20 -2.758 -0.610 -3.370 1.00 0.00 C ATOM 311 CG2 VAL A 20 -4.497 0.514 -4.782 1.00 0.00 C ATOM 0 H VAL A 20 -3.397 1.556 -6.651 1.00 0.00 H new ATOM 0 HA VAL A 20 -1.965 1.749 -4.261 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.998 -0.830 -5.476 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.485 -1.385 -3.126 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -1.757 -1.042 -3.380 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.805 0.180 -2.621 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -5.198 -0.278 -4.519 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -4.594 1.335 -4.071 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -4.719 0.876 -5.786 1.00 0.00 H new ATOM 321 N THR A 21 -0.631 -0.253 -6.549 1.00 0.00 N ATOM 322 CA THR A 21 0.603 -0.908 -6.960 1.00 0.00 C ATOM 323 C THR A 21 1.716 0.117 -7.154 1.00 0.00 C ATOM 324 O THR A 21 2.898 -0.216 -7.070 1.00 0.00 O ATOM 325 CB THR A 21 0.383 -1.695 -8.254 1.00 0.00 C ATOM 326 OG1 THR A 21 -0.889 -2.321 -8.249 1.00 0.00 O ATOM 327 CG2 THR A 21 1.422 -2.770 -8.484 1.00 0.00 C ATOM 0 H THR A 21 -1.405 -0.362 -7.204 1.00 0.00 H new ATOM 0 HA THR A 21 0.901 -1.601 -6.173 1.00 0.00 H new ATOM 0 HB THR A 21 0.460 -0.961 -9.056 1.00 0.00 H new ATOM 0 HG1 THR A 21 -1.547 -1.727 -8.666 1.00 0.00 H new ATOM 0 HG21 THR A 21 1.207 -3.290 -9.418 1.00 0.00 H new ATOM 0 HG22 THR A 21 2.411 -2.314 -8.541 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.398 -3.482 -7.659 1.00 0.00 H new ATOM 335 N ALA A 22 1.332 1.367 -7.411 1.00 0.00 N ATOM 336 CA ALA A 22 2.298 2.441 -7.611 1.00 0.00 C ATOM 337 C ALA A 22 3.266 2.524 -6.436 1.00 0.00 C ATOM 338 O ALA A 22 4.479 2.622 -6.623 1.00 0.00 O ATOM 339 CB ALA A 22 1.581 3.768 -7.804 1.00 0.00 C ATOM 0 H ALA A 22 0.357 1.659 -7.485 1.00 0.00 H new ATOM 0 HA ALA A 22 2.873 2.221 -8.511 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.315 4.560 -7.952 1.00 0.00 H new ATOM 0 HB2 ALA A 22 0.932 3.707 -8.677 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.982 3.989 -6.921 1.00 0.00 H new ATOM 345 N LYS A 23 2.721 2.468 -5.226 1.00 0.00 N ATOM 346 CA LYS A 23 3.537 2.522 -4.019 1.00 0.00 C ATOM 347 C LYS A 23 4.219 1.179 -3.794 1.00 0.00 C ATOM 348 O LYS A 23 5.419 1.113 -3.533 1.00 0.00 O ATOM 349 CB LYS A 23 2.681 2.885 -2.805 1.00 0.00 C ATOM 350 CG LYS A 23 1.715 4.030 -3.060 1.00 0.00 C ATOM 351 CD LYS A 23 2.452 5.328 -3.352 1.00 0.00 C ATOM 352 CE LYS A 23 1.590 6.287 -4.157 1.00 0.00 C ATOM 353 NZ LYS A 23 2.106 7.682 -4.095 1.00 0.00 N ATOM 0 H LYS A 23 1.719 2.385 -5.055 1.00 0.00 H new ATOM 0 HA LYS A 23 4.297 3.293 -4.148 1.00 0.00 H new ATOM 0 HB2 LYS A 23 2.116 2.006 -2.494 1.00 0.00 H new ATOM 0 HB3 LYS A 23 3.336 3.152 -1.976 1.00 0.00 H new ATOM 0 HG2 LYS A 23 1.068 3.781 -3.901 1.00 0.00 H new ATOM 0 HG3 LYS A 23 1.071 4.164 -2.191 1.00 0.00 H new ATOM 0 HD2 LYS A 23 2.746 5.800 -2.414 1.00 0.00 H new ATOM 0 HD3 LYS A 23 3.369 5.112 -3.901 1.00 0.00 H new ATOM 0 HE2 LYS A 23 1.555 5.959 -5.196 1.00 0.00 H new ATOM 0 HE3 LYS A 23 0.568 6.261 -3.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 1.491 8.305 -4.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 2.116 8.005 -3.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 3.072 7.712 -4.479 1.00 0.00 H new ATOM 367 N PHE A 24 3.441 0.108 -3.920 1.00 0.00 N ATOM 368 CA PHE A 24 3.957 -1.248 -3.753 1.00 0.00 C ATOM 369 C PHE A 24 5.116 -1.522 -4.715 1.00 0.00 C ATOM 370 O PHE A 24 5.851 -2.496 -4.550 1.00 0.00 O ATOM 371 CB PHE A 24 2.841 -2.270 -3.967 1.00 0.00 C ATOM 372 CG PHE A 24 2.203 -2.737 -2.689 1.00 0.00 C ATOM 373 CD1 PHE A 24 1.130 -2.051 -2.142 1.00 0.00 C ATOM 374 CD2 PHE A 24 2.676 -3.863 -2.036 1.00 0.00 C ATOM 375 CE1 PHE A 24 0.542 -2.478 -0.967 1.00 0.00 C ATOM 376 CE2 PHE A 24 2.093 -4.296 -0.860 1.00 0.00 C ATOM 377 CZ PHE A 24 1.024 -3.603 -0.325 1.00 0.00 C ATOM 0 H PHE A 24 2.446 0.153 -4.138 1.00 0.00 H new ATOM 0 HA PHE A 24 4.334 -1.341 -2.734 1.00 0.00 H new ATOM 0 HB2 PHE A 24 2.075 -1.831 -4.607 1.00 0.00 H new ATOM 0 HB3 PHE A 24 3.245 -3.132 -4.498 1.00 0.00 H new ATOM 0 HD1 PHE A 24 0.749 -1.172 -2.640 1.00 0.00 H new ATOM 0 HD2 PHE A 24 3.510 -4.409 -2.451 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -0.293 -1.934 -0.551 1.00 0.00 H new ATOM 0 HE2 PHE A 24 2.472 -5.175 -0.360 1.00 0.00 H new ATOM 0 HZ PHE A 24 0.566 -3.940 0.593 1.00 0.00 H new ATOM 387 N ALA A 25 5.289 -0.645 -5.702 1.00 0.00 N ATOM 388 CA ALA A 25 6.373 -0.783 -6.663 1.00 0.00 C ATOM 389 C ALA A 25 7.655 -0.196 -6.087 1.00 0.00 C ATOM 390 O ALA A 25 8.709 -0.834 -6.104 1.00 0.00 O ATOM 391 CB ALA A 25 6.013 -0.100 -7.973 1.00 0.00 C ATOM 0 H ALA A 25 4.691 0.167 -5.854 1.00 0.00 H new ATOM 0 HA ALA A 25 6.533 -1.842 -6.865 1.00 0.00 H new ATOM 0 HB1 ALA A 25 6.835 -0.213 -8.680 1.00 0.00 H new ATOM 0 HB2 ALA A 25 5.113 -0.556 -8.386 1.00 0.00 H new ATOM 0 HB3 ALA A 25 5.832 0.960 -7.793 1.00 0.00 H new ATOM 397 N LYS A 26 7.552 1.025 -5.571 1.00 0.00 N ATOM 398 CA LYS A 26 8.693 1.710 -4.978 1.00 0.00 C ATOM 399 C LYS A 26 9.099 1.060 -3.655 1.00 0.00 C ATOM 400 O LYS A 26 10.199 1.293 -3.154 1.00 0.00 O ATOM 401 CB LYS A 26 8.365 3.190 -4.756 1.00 0.00 C ATOM 402 CG LYS A 26 9.161 4.129 -5.648 1.00 0.00 C ATOM 403 CD LYS A 26 10.343 4.733 -4.906 1.00 0.00 C ATOM 404 CE LYS A 26 11.485 3.739 -4.775 1.00 0.00 C ATOM 405 NZ LYS A 26 12.360 4.050 -3.611 1.00 0.00 N ATOM 0 H LYS A 26 6.685 1.562 -5.552 1.00 0.00 H new ATOM 0 HA LYS A 26 9.532 1.629 -5.669 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.301 3.349 -4.933 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.556 3.444 -3.713 1.00 0.00 H new ATOM 0 HG2 LYS A 26 9.518 3.586 -6.523 1.00 0.00 H new ATOM 0 HG3 LYS A 26 8.512 4.926 -6.011 1.00 0.00 H new ATOM 0 HD2 LYS A 26 10.691 5.621 -5.435 1.00 0.00 H new ATOM 0 HD3 LYS A 26 10.025 5.056 -3.915 1.00 0.00 H new ATOM 0 HE2 LYS A 26 11.080 2.733 -4.666 1.00 0.00 H new ATOM 0 HE3 LYS A 26 12.080 3.746 -5.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 12.986 3.242 -3.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 12.934 4.891 -3.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 11.771 4.235 -2.774 1.00 0.00 H new ATOM 419 N LEU A 27 8.213 0.235 -3.097 1.00 0.00 N ATOM 420 CA LEU A 27 8.497 -0.449 -1.840 1.00 0.00 C ATOM 421 C LEU A 27 9.212 -1.769 -2.096 1.00 0.00 C ATOM 422 O LEU A 27 10.173 -2.109 -1.406 1.00 0.00 O ATOM 423 CB LEU A 27 7.208 -0.699 -1.053 1.00 0.00 C ATOM 424 CG LEU A 27 6.762 0.456 -0.152 1.00 0.00 C ATOM 425 CD1 LEU A 27 6.036 1.520 -0.958 1.00 0.00 C ATOM 426 CD2 LEU A 27 5.875 -0.060 0.972 1.00 0.00 C ATOM 0 H LEU A 27 7.297 0.026 -3.495 1.00 0.00 H new ATOM 0 HA LEU A 27 9.148 0.195 -1.248 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.407 -0.919 -1.759 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.343 -1.588 -0.437 1.00 0.00 H new ATOM 0 HG LEU A 27 7.650 0.910 0.287 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.729 2.330 -0.297 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.702 1.912 -1.727 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.156 1.082 -1.429 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.566 0.773 1.604 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.993 -0.540 0.548 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.429 -0.783 1.570 1.00 0.00 H new ATOM 438 N GLU A 28 8.744 -2.504 -3.101 1.00 0.00 N ATOM 439 CA GLU A 28 9.344 -3.785 -3.455 1.00 0.00 C ATOM 440 C GLU A 28 10.827 -3.629 -3.796 1.00 0.00 C ATOM 441 O GLU A 28 11.568 -4.610 -3.835 1.00 0.00 O ATOM 442 CB GLU A 28 8.600 -4.413 -4.636 1.00 0.00 C ATOM 443 CG GLU A 28 8.717 -3.617 -5.924 1.00 0.00 C ATOM 444 CD GLU A 28 8.667 -4.495 -7.159 1.00 0.00 C ATOM 445 OE1 GLU A 28 9.404 -5.501 -7.202 1.00 0.00 O ATOM 446 OE2 GLU A 28 7.888 -4.177 -8.082 1.00 0.00 O ATOM 0 H GLU A 28 7.952 -2.234 -3.684 1.00 0.00 H new ATOM 0 HA GLU A 28 9.261 -4.442 -2.589 1.00 0.00 H new ATOM 0 HB2 GLU A 28 8.986 -5.418 -4.804 1.00 0.00 H new ATOM 0 HB3 GLU A 28 7.546 -4.516 -4.377 1.00 0.00 H new ATOM 0 HG2 GLU A 28 7.910 -2.886 -5.970 1.00 0.00 H new ATOM 0 HG3 GLU A 28 9.653 -3.058 -5.918 1.00 0.00 H new ATOM 453 N GLN A 29 11.259 -2.391 -4.035 1.00 0.00 N ATOM 454 CA GLN A 29 12.652 -2.119 -4.362 1.00 0.00 C ATOM 455 C GLN A 29 13.546 -2.325 -3.143 1.00 0.00 C ATOM 456 O GLN A 29 14.527 -3.067 -3.200 1.00 0.00 O ATOM 457 CB GLN A 29 12.805 -0.689 -4.886 1.00 0.00 C ATOM 458 CG GLN A 29 14.186 -0.391 -5.443 1.00 0.00 C ATOM 459 CD GLN A 29 14.479 1.096 -5.509 1.00 0.00 C ATOM 460 OE1 GLN A 29 13.835 1.898 -4.833 1.00 0.00 O ATOM 461 NE2 GLN A 29 15.456 1.472 -6.327 1.00 0.00 N ATOM 0 H GLN A 29 10.663 -1.564 -4.008 1.00 0.00 H new ATOM 0 HA GLN A 29 12.961 -2.818 -5.139 1.00 0.00 H new ATOM 0 HB2 GLN A 29 12.063 -0.515 -5.665 1.00 0.00 H new ATOM 0 HB3 GLN A 29 12.589 0.010 -4.078 1.00 0.00 H new ATOM 0 HG2 GLN A 29 14.937 -0.879 -4.822 1.00 0.00 H new ATOM 0 HG3 GLN A 29 14.271 -0.819 -6.442 1.00 0.00 H new ATOM 0 HE21 GLN A 29 15.964 0.773 -6.869 1.00 0.00 H new ATOM 0 HE22 GLN A 29 15.698 2.459 -6.413 1.00 0.00 H new ATOM 470 N TYR A 30 13.202 -1.666 -2.039 1.00 0.00 N ATOM 471 CA TYR A 30 13.982 -1.785 -0.809 1.00 0.00 C ATOM 472 C TYR A 30 13.389 -2.834 0.134 1.00 0.00 C ATOM 473 O TYR A 30 13.901 -3.046 1.232 1.00 0.00 O ATOM 474 CB TYR A 30 14.087 -0.433 -0.098 1.00 0.00 C ATOM 475 CG TYR A 30 12.795 0.352 -0.055 1.00 0.00 C ATOM 476 CD1 TYR A 30 11.718 -0.086 0.703 1.00 0.00 C ATOM 477 CD2 TYR A 30 12.657 1.537 -0.766 1.00 0.00 C ATOM 478 CE1 TYR A 30 10.539 0.634 0.751 1.00 0.00 C ATOM 479 CE2 TYR A 30 11.482 2.264 -0.723 1.00 0.00 C ATOM 480 CZ TYR A 30 10.427 1.808 0.036 1.00 0.00 C ATOM 481 OH TYR A 30 9.255 2.528 0.081 1.00 0.00 O ATOM 0 H TYR A 30 12.394 -1.048 -1.970 1.00 0.00 H new ATOM 0 HA TYR A 30 14.983 -2.112 -1.090 1.00 0.00 H new ATOM 0 HB2 TYR A 30 14.431 -0.599 0.923 1.00 0.00 H new ATOM 0 HB3 TYR A 30 14.847 0.168 -0.597 1.00 0.00 H new ATOM 0 HD1 TYR A 30 11.803 -1.005 1.265 1.00 0.00 H new ATOM 0 HD2 TYR A 30 13.482 1.897 -1.363 1.00 0.00 H new ATOM 0 HE1 TYR A 30 9.710 0.279 1.345 1.00 0.00 H new ATOM 0 HE2 TYR A 30 11.392 3.184 -1.281 1.00 0.00 H new ATOM 0 HH TYR A 30 9.342 3.329 -0.477 1.00 0.00 H new ATOM 491 N PHE A 31 12.319 -3.498 -0.301 1.00 0.00 N ATOM 492 CA PHE A 31 11.680 -4.531 0.509 1.00 0.00 C ATOM 493 C PHE A 31 11.810 -5.892 -0.164 1.00 0.00 C ATOM 494 O PHE A 31 11.321 -6.094 -1.277 1.00 0.00 O ATOM 495 CB PHE A 31 10.200 -4.205 0.740 1.00 0.00 C ATOM 496 CG PHE A 31 9.948 -3.115 1.750 1.00 0.00 C ATOM 497 CD1 PHE A 31 10.911 -2.767 2.688 1.00 0.00 C ATOM 498 CD2 PHE A 31 8.738 -2.440 1.763 1.00 0.00 C ATOM 499 CE1 PHE A 31 10.670 -1.769 3.613 1.00 0.00 C ATOM 500 CE2 PHE A 31 8.492 -1.441 2.685 1.00 0.00 C ATOM 501 CZ PHE A 31 9.460 -1.105 3.611 1.00 0.00 C ATOM 0 H PHE A 31 11.878 -3.339 -1.207 1.00 0.00 H new ATOM 0 HA PHE A 31 12.185 -4.562 1.474 1.00 0.00 H new ATOM 0 HB2 PHE A 31 9.753 -3.912 -0.210 1.00 0.00 H new ATOM 0 HB3 PHE A 31 9.689 -5.110 1.067 1.00 0.00 H new ATOM 0 HD1 PHE A 31 11.860 -3.283 2.695 1.00 0.00 H new ATOM 0 HD2 PHE A 31 7.976 -2.698 1.042 1.00 0.00 H new ATOM 0 HE1 PHE A 31 11.428 -1.509 4.337 1.00 0.00 H new ATOM 0 HE2 PHE A 31 7.544 -0.924 2.682 1.00 0.00 H new ATOM 0 HZ PHE A 31 9.270 -0.324 4.332 1.00 0.00 H new ATOM 511 N ASP A 32 12.473 -6.823 0.514 1.00 0.00 N ATOM 512 CA ASP A 32 12.667 -8.166 -0.024 1.00 0.00 C ATOM 513 C ASP A 32 11.774 -9.175 0.690 1.00 0.00 C ATOM 514 O ASP A 32 11.362 -10.176 0.103 1.00 0.00 O ATOM 515 CB ASP A 32 14.134 -8.581 0.106 1.00 0.00 C ATOM 516 CG ASP A 32 15.048 -7.757 -0.779 1.00 0.00 C ATOM 517 OD1 ASP A 32 15.507 -6.688 -0.325 1.00 0.00 O ATOM 518 OD2 ASP A 32 15.303 -8.180 -1.925 1.00 0.00 O ATOM 0 H ASP A 32 12.885 -6.673 1.435 1.00 0.00 H new ATOM 0 HA ASP A 32 12.392 -8.151 -1.079 1.00 0.00 H new ATOM 0 HB2 ASP A 32 14.448 -8.477 1.145 1.00 0.00 H new ATOM 0 HB3 ASP A 32 14.235 -9.635 -0.153 1.00 0.00 H new ATOM 523 N ARG A 33 11.477 -8.909 1.957 1.00 0.00 N ATOM 524 CA ARG A 33 10.633 -9.798 2.746 1.00 0.00 C ATOM 525 C ARG A 33 9.163 -9.615 2.383 1.00 0.00 C ATOM 526 O ARG A 33 8.356 -9.191 3.210 1.00 0.00 O ATOM 527 CB ARG A 33 10.840 -9.542 4.240 1.00 0.00 C ATOM 528 CG ARG A 33 12.300 -9.407 4.638 1.00 0.00 C ATOM 529 CD ARG A 33 12.485 -9.538 6.141 1.00 0.00 C ATOM 530 NE ARG A 33 13.894 -9.651 6.510 1.00 0.00 N ATOM 531 CZ ARG A 33 14.646 -10.719 6.247 1.00 0.00 C ATOM 532 NH1 ARG A 33 14.126 -11.768 5.622 1.00 0.00 N ATOM 533 NH2 ARG A 33 15.919 -10.738 6.613 1.00 0.00 N ATOM 0 H ARG A 33 11.808 -8.085 2.459 1.00 0.00 H new ATOM 0 HA ARG A 33 10.919 -10.825 2.520 1.00 0.00 H new ATOM 0 HB2 ARG A 33 10.310 -8.632 4.521 1.00 0.00 H new ATOM 0 HB3 ARG A 33 10.392 -10.359 4.805 1.00 0.00 H new ATOM 0 HG2 ARG A 33 12.888 -10.172 4.131 1.00 0.00 H new ATOM 0 HG3 ARG A 33 12.680 -8.441 4.307 1.00 0.00 H new ATOM 0 HD2 ARG A 33 12.048 -8.671 6.637 1.00 0.00 H new ATOM 0 HD3 ARG A 33 11.945 -10.415 6.498 1.00 0.00 H new ATOM 0 HE ARG A 33 14.327 -8.867 6.997 1.00 0.00 H new ATOM 0 HH11 ARG A 33 13.146 -11.759 5.340 1.00 0.00 H new ATOM 0 HH12 ARG A 33 14.707 -12.583 5.423 1.00 0.00 H new ATOM 0 HH21 ARG A 33 16.323 -9.935 7.096 1.00 0.00 H new ATOM 0 HH22 ARG A 33 16.495 -11.555 6.412 1.00 0.00 H new ATOM 547 N ILE A 34 8.823 -9.937 1.140 1.00 0.00 N ATOM 548 CA ILE A 34 7.450 -9.810 0.665 1.00 0.00 C ATOM 549 C ILE A 34 7.039 -11.028 -0.152 1.00 0.00 C ATOM 550 O ILE A 34 7.695 -11.381 -1.134 1.00 0.00 O ATOM 551 CB ILE A 34 7.267 -8.546 -0.195 1.00 0.00 C ATOM 552 CG1 ILE A 34 7.867 -7.328 0.511 1.00 0.00 C ATOM 553 CG2 ILE A 34 5.794 -8.319 -0.495 1.00 0.00 C ATOM 554 CD1 ILE A 34 7.920 -6.092 -0.360 1.00 0.00 C ATOM 0 H ILE A 34 9.479 -10.288 0.443 1.00 0.00 H new ATOM 0 HA ILE A 34 6.815 -9.734 1.548 1.00 0.00 H new ATOM 0 HB ILE A 34 7.793 -8.689 -1.139 1.00 0.00 H new ATOM 0 HG12 ILE A 34 7.280 -7.109 1.403 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.876 -7.571 0.845 1.00 0.00 H new ATOM 0 HG21 ILE A 34 5.681 -7.422 -1.104 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.396 -9.177 -1.036 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.247 -8.195 0.440 1.00 0.00 H new ATOM 0 HD11 ILE A 34 8.356 -5.268 0.204 1.00 0.00 H new ATOM 0 HD12 ILE A 34 8.531 -6.293 -1.240 1.00 0.00 H new ATOM 0 HD13 ILE A 34 6.911 -5.824 -0.673 1.00 0.00 H new ATOM 566 N ASN A 35 5.950 -11.673 0.259 1.00 0.00 N ATOM 567 CA ASN A 35 5.454 -12.855 -0.438 1.00 0.00 C ATOM 568 C ASN A 35 3.996 -12.681 -0.848 1.00 0.00 C ATOM 569 O ASN A 35 3.669 -12.705 -2.035 1.00 0.00 O ATOM 570 CB ASN A 35 5.608 -14.100 0.441 1.00 0.00 C ATOM 571 CG ASN A 35 5.315 -13.825 1.904 1.00 0.00 C ATOM 572 OD1 ASN A 35 6.043 -13.088 2.568 1.00 0.00 O ATOM 573 ND2 ASN A 35 4.241 -14.418 2.413 1.00 0.00 N ATOM 0 H ASN A 35 5.396 -11.397 1.070 1.00 0.00 H new ATOM 0 HA ASN A 35 6.050 -12.984 -1.342 1.00 0.00 H new ATOM 0 HB2 ASN A 35 4.936 -14.879 0.081 1.00 0.00 H new ATOM 0 HB3 ASN A 35 6.623 -14.484 0.344 1.00 0.00 H new ATOM 0 HD21 ASN A 35 3.992 -14.270 3.391 1.00 0.00 H new ATOM 0 HD22 ASN A 35 3.665 -15.021 1.826 1.00 0.00 H new ATOM 580 N GLN A 36 3.120 -12.510 0.138 1.00 0.00 N ATOM 581 CA GLN A 36 1.697 -12.338 -0.129 1.00 0.00 C ATOM 582 C GLN A 36 1.143 -11.117 0.597 1.00 0.00 C ATOM 583 O GLN A 36 1.138 -11.064 1.828 1.00 0.00 O ATOM 584 CB GLN A 36 0.922 -13.587 0.294 1.00 0.00 C ATOM 585 CG GLN A 36 -0.551 -13.544 -0.077 1.00 0.00 C ATOM 586 CD GLN A 36 -1.024 -14.823 -0.739 1.00 0.00 C ATOM 587 OE1 GLN A 36 -0.744 -15.071 -1.911 1.00 0.00 O ATOM 588 NE2 GLN A 36 -1.746 -15.646 0.013 1.00 0.00 N ATOM 0 H GLN A 36 3.370 -12.487 1.127 1.00 0.00 H new ATOM 0 HA GLN A 36 1.576 -12.185 -1.201 1.00 0.00 H new ATOM 0 HB2 GLN A 36 1.379 -14.462 -0.168 1.00 0.00 H new ATOM 0 HB3 GLN A 36 1.013 -13.713 1.373 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -1.143 -13.364 0.821 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -0.728 -12.705 -0.749 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -1.955 -15.401 0.981 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -2.091 -16.523 -0.377 1.00 0.00 H new ATOM 597 N VAL A 37 0.673 -10.141 -0.171 1.00 0.00 N ATOM 598 CA VAL A 37 0.109 -8.924 0.398 1.00 0.00 C ATOM 599 C VAL A 37 -1.321 -8.715 -0.084 1.00 0.00 C ATOM 600 O VAL A 37 -1.613 -8.873 -1.270 1.00 0.00 O ATOM 601 CB VAL A 37 0.946 -7.682 0.028 1.00 0.00 C ATOM 602 CG1 VAL A 37 0.594 -6.512 0.935 1.00 0.00 C ATOM 603 CG2 VAL A 37 2.433 -7.993 0.099 1.00 0.00 C ATOM 0 H VAL A 37 0.672 -10.169 -1.191 1.00 0.00 H new ATOM 0 HA VAL A 37 0.119 -9.046 1.481 1.00 0.00 H new ATOM 0 HB VAL A 37 0.709 -7.402 -0.998 1.00 0.00 H new ATOM 0 HG11 VAL A 37 1.194 -5.645 0.660 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -0.463 -6.271 0.825 1.00 0.00 H new ATOM 0 HG13 VAL A 37 0.799 -6.781 1.971 1.00 0.00 H new ATOM 0 HG21 VAL A 37 3.004 -7.103 -0.166 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.692 -8.302 1.112 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.670 -8.797 -0.598 1.00 0.00 H new ATOM 613 N TYR A 38 -2.210 -8.357 0.834 1.00 0.00 N ATOM 614 CA TYR A 38 -3.607 -8.125 0.490 1.00 0.00 C ATOM 615 C TYR A 38 -4.095 -6.791 1.041 1.00 0.00 C ATOM 616 O TYR A 38 -3.950 -6.504 2.230 1.00 0.00 O ATOM 617 CB TYR A 38 -4.494 -9.270 0.998 1.00 0.00 C ATOM 618 CG TYR A 38 -4.030 -9.884 2.301 1.00 0.00 C ATOM 619 CD1 TYR A 38 -2.863 -10.634 2.359 1.00 0.00 C ATOM 620 CD2 TYR A 38 -4.764 -9.719 3.470 1.00 0.00 C ATOM 621 CE1 TYR A 38 -2.437 -11.203 3.544 1.00 0.00 C ATOM 622 CE2 TYR A 38 -4.345 -10.285 4.659 1.00 0.00 C ATOM 623 CZ TYR A 38 -3.182 -11.026 4.691 1.00 0.00 C ATOM 624 OH TYR A 38 -2.762 -11.591 5.874 1.00 0.00 O ATOM 0 H TYR A 38 -1.989 -8.221 1.820 1.00 0.00 H new ATOM 0 HA TYR A 38 -3.678 -8.090 -0.597 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -5.510 -8.897 1.127 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -4.534 -10.049 0.236 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -2.278 -10.775 1.462 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -5.675 -9.140 3.449 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -1.526 -11.783 3.572 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -4.926 -10.148 5.559 1.00 0.00 H new ATOM 0 HH TYR A 38 -1.916 -12.063 5.729 1.00 0.00 H new ATOM 634 N VAL A 39 -4.671 -5.978 0.160 1.00 0.00 N ATOM 635 CA VAL A 39 -5.182 -4.667 0.540 1.00 0.00 C ATOM 636 C VAL A 39 -6.665 -4.542 0.210 1.00 0.00 C ATOM 637 O VAL A 39 -7.139 -5.103 -0.779 1.00 0.00 O ATOM 638 CB VAL A 39 -4.411 -3.537 -0.172 1.00 0.00 C ATOM 639 CG1 VAL A 39 -4.741 -2.185 0.442 1.00 0.00 C ATOM 640 CG2 VAL A 39 -2.912 -3.797 -0.121 1.00 0.00 C ATOM 0 H VAL A 39 -4.795 -6.207 -0.826 1.00 0.00 H new ATOM 0 HA VAL A 39 -5.042 -4.570 1.617 1.00 0.00 H new ATOM 0 HB VAL A 39 -4.722 -3.520 -1.216 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -4.185 -1.404 -0.077 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -5.810 -1.994 0.347 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -4.465 -2.187 1.496 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.385 -2.989 -0.629 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.586 -3.846 0.918 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.690 -4.742 -0.616 1.00 0.00 H new ATOM 650 N VAL A 40 -7.393 -3.800 1.038 1.00 0.00 N ATOM 651 CA VAL A 40 -8.822 -3.600 0.828 1.00 0.00 C ATOM 652 C VAL A 40 -9.236 -2.198 1.242 1.00 0.00 C ATOM 653 O VAL A 40 -8.832 -1.697 2.292 1.00 0.00 O ATOM 654 CB VAL A 40 -9.660 -4.628 1.609 1.00 0.00 C ATOM 655 CG1 VAL A 40 -11.132 -4.510 1.244 1.00 0.00 C ATOM 656 CG2 VAL A 40 -9.150 -6.039 1.350 1.00 0.00 C ATOM 0 H VAL A 40 -7.017 -3.328 1.860 1.00 0.00 H new ATOM 0 HA VAL A 40 -9.010 -3.736 -0.237 1.00 0.00 H new ATOM 0 HB VAL A 40 -9.558 -4.418 2.674 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -11.707 -5.245 1.807 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -11.488 -3.509 1.486 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -11.258 -4.691 0.177 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -9.754 -6.753 1.910 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -9.220 -6.261 0.285 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -8.110 -6.114 1.669 1.00 0.00 H new ATOM 666 N LEU A 41 -10.030 -1.564 0.392 1.00 0.00 N ATOM 667 CA LEU A 41 -10.492 -0.210 0.640 1.00 0.00 C ATOM 668 C LEU A 41 -12.000 -0.086 0.443 1.00 0.00 C ATOM 669 O LEU A 41 -12.548 -0.536 -0.563 1.00 0.00 O ATOM 670 CB LEU A 41 -9.749 0.766 -0.278 1.00 0.00 C ATOM 671 CG LEU A 41 -9.376 0.220 -1.664 1.00 0.00 C ATOM 672 CD1 LEU A 41 -8.355 -0.902 -1.552 1.00 0.00 C ATOM 673 CD2 LEU A 41 -10.616 -0.249 -2.412 1.00 0.00 C ATOM 0 H LEU A 41 -10.368 -1.970 -0.480 1.00 0.00 H new ATOM 0 HA LEU A 41 -10.278 0.038 1.680 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -10.367 1.654 -0.411 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -8.836 1.086 0.224 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.922 1.031 -2.234 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.109 -1.270 -2.548 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.452 -0.526 -1.071 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.772 -1.715 -0.957 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -10.327 -0.632 -3.391 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -11.107 -1.039 -1.844 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -11.303 0.588 -2.538 1.00 0.00 H new ATOM 685 N LYS A 42 -12.666 0.531 1.413 1.00 0.00 N ATOM 686 CA LYS A 42 -14.110 0.722 1.348 1.00 0.00 C ATOM 687 C LYS A 42 -14.445 2.180 1.054 1.00 0.00 C ATOM 688 O LYS A 42 -13.851 3.094 1.625 1.00 0.00 O ATOM 689 CB LYS A 42 -14.767 0.275 2.660 1.00 0.00 C ATOM 690 CG LYS A 42 -16.217 0.713 2.803 1.00 0.00 C ATOM 691 CD LYS A 42 -16.820 0.232 4.115 1.00 0.00 C ATOM 692 CE LYS A 42 -16.162 0.900 5.312 1.00 0.00 C ATOM 693 NZ LYS A 42 -15.791 -0.088 6.364 1.00 0.00 N ATOM 0 H LYS A 42 -12.229 0.908 2.254 1.00 0.00 H new ATOM 0 HA LYS A 42 -14.503 0.109 0.537 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -14.717 -0.812 2.728 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -14.193 0.673 3.497 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -16.276 1.800 2.752 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -16.800 0.322 1.969 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -17.890 0.442 4.123 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -16.707 -0.849 4.193 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -15.270 1.434 4.985 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -16.841 1.641 5.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -15.345 0.407 7.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -16.645 -0.580 6.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -15.123 -0.781 5.970 1.00 0.00 H new ATOM 707 N VAL A 43 -15.401 2.389 0.157 1.00 0.00 N ATOM 708 CA VAL A 43 -15.819 3.733 -0.219 1.00 0.00 C ATOM 709 C VAL A 43 -17.280 3.973 0.142 1.00 0.00 C ATOM 710 O VAL A 43 -18.175 3.305 -0.376 1.00 0.00 O ATOM 711 CB VAL A 43 -15.629 3.981 -1.728 1.00 0.00 C ATOM 712 CG1 VAL A 43 -15.891 5.441 -2.070 1.00 0.00 C ATOM 713 CG2 VAL A 43 -14.232 3.565 -2.165 1.00 0.00 C ATOM 0 H VAL A 43 -15.902 1.642 -0.324 1.00 0.00 H new ATOM 0 HA VAL A 43 -15.189 4.427 0.337 1.00 0.00 H new ATOM 0 HB VAL A 43 -16.352 3.372 -2.271 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -15.751 5.595 -3.140 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -16.914 5.701 -1.796 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -15.196 6.074 -1.519 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -14.116 3.747 -3.233 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -13.491 4.145 -1.615 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -14.087 2.504 -1.960 1.00 0.00 H new ATOM 723 N GLU A 44 -17.515 4.933 1.029 1.00 0.00 N ATOM 724 CA GLU A 44 -18.868 5.263 1.456 1.00 0.00 C ATOM 725 C GLU A 44 -19.059 6.775 1.505 1.00 0.00 C ATOM 726 O GLU A 44 -18.103 7.527 1.698 1.00 0.00 O ATOM 727 CB GLU A 44 -19.167 4.649 2.826 1.00 0.00 C ATOM 728 CG GLU A 44 -18.022 4.778 3.815 1.00 0.00 C ATOM 729 CD GLU A 44 -18.353 4.182 5.170 1.00 0.00 C ATOM 730 OE1 GLU A 44 -18.891 3.055 5.207 1.00 0.00 O ATOM 731 OE2 GLU A 44 -18.072 4.839 6.193 1.00 0.00 O ATOM 0 H GLU A 44 -16.785 5.496 1.466 1.00 0.00 H new ATOM 0 HA GLU A 44 -19.565 4.846 0.729 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -20.052 5.128 3.244 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -19.407 3.594 2.697 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -17.139 4.283 3.410 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -17.769 5.831 3.937 1.00 0.00 H new ATOM 738 N LYS A 45 -20.300 7.213 1.321 1.00 0.00 N ATOM 739 CA LYS A 45 -20.625 8.637 1.335 1.00 0.00 C ATOM 740 C LYS A 45 -20.093 9.334 2.588 1.00 0.00 C ATOM 741 O LYS A 45 -19.943 10.556 2.604 1.00 0.00 O ATOM 742 CB LYS A 45 -22.140 8.831 1.239 1.00 0.00 C ATOM 743 CG LYS A 45 -22.557 10.279 1.044 1.00 0.00 C ATOM 744 CD LYS A 45 -23.758 10.636 1.907 1.00 0.00 C ATOM 745 CE LYS A 45 -25.065 10.404 1.165 1.00 0.00 C ATOM 746 NZ LYS A 45 -25.279 11.412 0.089 1.00 0.00 N ATOM 0 H LYS A 45 -21.100 6.601 1.160 1.00 0.00 H new ATOM 0 HA LYS A 45 -20.140 9.091 0.471 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -22.522 8.237 0.409 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -22.605 8.447 2.147 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -21.722 10.935 1.291 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -22.798 10.451 -0.005 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -23.744 10.037 2.818 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -23.691 11.681 2.211 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -25.064 9.404 0.731 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -25.895 10.444 1.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -26.282 11.420 -0.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -25.007 12.354 0.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -24.697 11.167 -0.737 1.00 0.00 H new ATOM 760 N VAL A 46 -19.818 8.563 3.637 1.00 0.00 N ATOM 761 CA VAL A 46 -19.316 9.132 4.882 1.00 0.00 C ATOM 762 C VAL A 46 -17.791 9.274 4.869 1.00 0.00 C ATOM 763 O VAL A 46 -17.267 10.342 4.553 1.00 0.00 O ATOM 764 CB VAL A 46 -19.750 8.286 6.099 1.00 0.00 C ATOM 765 CG1 VAL A 46 -19.253 8.908 7.398 1.00 0.00 C ATOM 766 CG2 VAL A 46 -21.262 8.127 6.121 1.00 0.00 C ATOM 0 H VAL A 46 -19.934 7.550 3.649 1.00 0.00 H new ATOM 0 HA VAL A 46 -19.752 10.127 4.970 1.00 0.00 H new ATOM 0 HB VAL A 46 -19.300 7.297 6.007 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -19.571 8.294 8.241 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -18.165 8.965 7.381 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -19.667 9.911 7.503 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -21.552 7.528 6.984 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -21.730 9.109 6.186 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -21.589 7.629 5.208 1.00 0.00 H new ATOM 776 N THR A 47 -17.082 8.201 5.222 1.00 0.00 N ATOM 777 CA THR A 47 -15.623 8.229 5.254 1.00 0.00 C ATOM 778 C THR A 47 -15.025 7.057 4.482 1.00 0.00 C ATOM 779 O THR A 47 -15.649 6.008 4.340 1.00 0.00 O ATOM 780 CB THR A 47 -15.126 8.205 6.700 1.00 0.00 C ATOM 781 OG1 THR A 47 -15.857 9.120 7.496 1.00 0.00 O ATOM 782 CG2 THR A 47 -13.659 8.550 6.835 1.00 0.00 C ATOM 0 H THR A 47 -17.494 7.307 5.488 1.00 0.00 H new ATOM 0 HA THR A 47 -15.298 9.152 4.774 1.00 0.00 H new ATOM 0 HB THR A 47 -15.274 7.180 7.039 1.00 0.00 H new ATOM 0 HG1 THR A 47 -15.526 9.089 8.418 1.00 0.00 H new ATOM 0 HG21 THR A 47 -13.372 8.514 7.886 1.00 0.00 H new ATOM 0 HG22 THR A 47 -13.063 7.832 6.272 1.00 0.00 H new ATOM 0 HG23 THR A 47 -13.484 9.553 6.445 1.00 0.00 H new ATOM 790 N HIS A 48 -13.798 7.239 3.997 1.00 0.00 N ATOM 791 CA HIS A 48 -13.106 6.192 3.253 1.00 0.00 C ATOM 792 C HIS A 48 -12.130 5.450 4.160 1.00 0.00 C ATOM 793 O HIS A 48 -11.414 6.068 4.950 1.00 0.00 O ATOM 794 CB HIS A 48 -12.363 6.791 2.058 1.00 0.00 C ATOM 795 CG HIS A 48 -13.267 7.433 1.053 1.00 0.00 C ATOM 796 ND1 HIS A 48 -13.175 7.199 -0.303 1.00 0.00 N ATOM 797 CD2 HIS A 48 -14.292 8.305 1.212 1.00 0.00 C ATOM 798 CE1 HIS A 48 -14.100 7.900 -0.933 1.00 0.00 C ATOM 799 NE2 HIS A 48 -14.792 8.578 -0.037 1.00 0.00 N ATOM 0 H HIS A 48 -13.264 8.101 4.107 1.00 0.00 H new ATOM 0 HA HIS A 48 -13.848 5.483 2.885 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -11.649 7.532 2.418 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -11.787 6.006 1.568 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -14.649 8.710 2.147 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -14.263 7.916 -2.001 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -15.572 9.203 -0.240 1.00 0.00 H new ATOM 808 N THR A 49 -12.108 4.125 4.054 1.00 0.00 N ATOM 809 CA THR A 49 -11.221 3.311 4.878 1.00 0.00 C ATOM 810 C THR A 49 -10.420 2.325 4.031 1.00 0.00 C ATOM 811 O THR A 49 -10.944 1.722 3.096 1.00 0.00 O ATOM 812 CB THR A 49 -12.029 2.551 5.931 1.00 0.00 C ATOM 813 OG1 THR A 49 -12.792 3.447 6.720 1.00 0.00 O ATOM 814 CG2 THR A 49 -11.170 1.732 6.869 1.00 0.00 C ATOM 0 H THR A 49 -12.692 3.594 3.408 1.00 0.00 H new ATOM 0 HA THR A 49 -10.519 3.982 5.373 1.00 0.00 H new ATOM 0 HB THR A 49 -12.671 1.874 5.368 1.00 0.00 H new ATOM 0 HG1 THR A 49 -13.303 2.942 7.386 1.00 0.00 H new ATOM 0 HG21 THR A 49 -11.806 1.219 7.590 1.00 0.00 H new ATOM 0 HG22 THR A 49 -10.605 0.997 6.296 1.00 0.00 H new ATOM 0 HG23 THR A 49 -10.479 2.389 7.397 1.00 0.00 H new ATOM 822 N SER A 50 -9.146 2.171 4.375 1.00 0.00 N ATOM 823 CA SER A 50 -8.262 1.257 3.659 1.00 0.00 C ATOM 824 C SER A 50 -7.466 0.397 4.637 1.00 0.00 C ATOM 825 O SER A 50 -7.124 0.843 5.731 1.00 0.00 O ATOM 826 CB SER A 50 -7.309 2.040 2.755 1.00 0.00 C ATOM 827 OG SER A 50 -6.365 2.771 3.519 1.00 0.00 O ATOM 0 H SER A 50 -8.701 2.668 5.147 1.00 0.00 H new ATOM 0 HA SER A 50 -8.877 0.601 3.043 1.00 0.00 H new ATOM 0 HB2 SER A 50 -6.788 1.353 2.089 1.00 0.00 H new ATOM 0 HB3 SER A 50 -7.879 2.723 2.126 1.00 0.00 H new ATOM 0 HG SER A 50 -6.815 3.186 4.285 1.00 0.00 H new ATOM 833 N ASP A 51 -7.172 -0.837 4.234 1.00 0.00 N ATOM 834 CA ASP A 51 -6.414 -1.757 5.074 1.00 0.00 C ATOM 835 C ASP A 51 -5.258 -2.370 4.291 1.00 0.00 C ATOM 836 O ASP A 51 -5.352 -2.564 3.080 1.00 0.00 O ATOM 837 CB ASP A 51 -7.327 -2.863 5.607 1.00 0.00 C ATOM 838 CG ASP A 51 -8.150 -3.513 4.514 1.00 0.00 C ATOM 839 OD1 ASP A 51 -7.552 -4.120 3.602 1.00 0.00 O ATOM 840 OD2 ASP A 51 -9.394 -3.412 4.571 1.00 0.00 O ATOM 0 H ASP A 51 -7.448 -1.222 3.330 1.00 0.00 H new ATOM 0 HA ASP A 51 -6.007 -1.196 5.915 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -6.722 -3.622 6.102 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -7.995 -2.446 6.361 1.00 0.00 H new ATOM 845 N ALA A 52 -4.163 -2.667 4.986 1.00 0.00 N ATOM 846 CA ALA A 52 -2.991 -3.252 4.344 1.00 0.00 C ATOM 847 C ALA A 52 -2.338 -4.313 5.225 1.00 0.00 C ATOM 848 O ALA A 52 -1.805 -4.009 6.292 1.00 0.00 O ATOM 849 CB ALA A 52 -1.986 -2.164 3.998 1.00 0.00 C ATOM 0 H ALA A 52 -4.064 -2.513 5.989 1.00 0.00 H new ATOM 0 HA ALA A 52 -3.322 -3.740 3.427 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -1.115 -2.612 3.519 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.446 -1.447 3.317 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.676 -1.652 4.909 1.00 0.00 H new ATOM 855 N THR A 53 -2.382 -5.559 4.766 1.00 0.00 N ATOM 856 CA THR A 53 -1.791 -6.671 5.503 1.00 0.00 C ATOM 857 C THR A 53 -0.541 -7.183 4.795 1.00 0.00 C ATOM 858 O THR A 53 -0.629 -7.815 3.742 1.00 0.00 O ATOM 859 CB THR A 53 -2.805 -7.805 5.656 1.00 0.00 C ATOM 860 OG1 THR A 53 -4.128 -7.317 5.530 1.00 0.00 O ATOM 861 CG2 THR A 53 -2.704 -8.521 6.985 1.00 0.00 C ATOM 0 H THR A 53 -2.822 -5.825 3.885 1.00 0.00 H new ATOM 0 HA THR A 53 -1.508 -6.312 6.493 1.00 0.00 H new ATOM 0 HB THR A 53 -2.569 -8.512 4.861 1.00 0.00 H new ATOM 0 HG1 THR A 53 -4.672 -7.969 5.040 1.00 0.00 H new ATOM 0 HG21 THR A 53 -3.451 -9.314 7.029 1.00 0.00 H new ATOM 0 HG22 THR A 53 -1.709 -8.954 7.091 1.00 0.00 H new ATOM 0 HG23 THR A 53 -2.879 -7.812 7.794 1.00 0.00 H new ATOM 869 N LEU A 54 0.624 -6.899 5.371 1.00 0.00 N ATOM 870 CA LEU A 54 1.890 -7.324 4.785 1.00 0.00 C ATOM 871 C LEU A 54 2.439 -8.567 5.483 1.00 0.00 C ATOM 872 O LEU A 54 2.267 -8.745 6.689 1.00 0.00 O ATOM 873 CB LEU A 54 2.914 -6.190 4.860 1.00 0.00 C ATOM 874 CG LEU A 54 2.687 -5.050 3.866 1.00 0.00 C ATOM 875 CD1 LEU A 54 1.398 -4.309 4.186 1.00 0.00 C ATOM 876 CD2 LEU A 54 3.869 -4.094 3.874 1.00 0.00 C ATOM 0 H LEU A 54 0.717 -6.377 6.242 1.00 0.00 H new ATOM 0 HA LEU A 54 1.705 -7.576 3.741 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.906 -5.779 5.870 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.908 -6.606 4.693 1.00 0.00 H new ATOM 0 HG LEU A 54 2.597 -5.478 2.867 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.254 -3.502 3.468 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.557 -5.000 4.128 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.457 -3.893 5.192 1.00 0.00 H new ATOM 0 HD21 LEU A 54 3.691 -3.289 3.161 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.991 -3.674 4.872 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.774 -4.633 3.594 1.00 0.00 H new ATOM 888 N HIS A 55 3.108 -9.417 4.710 1.00 0.00 N ATOM 889 CA HIS A 55 3.694 -10.643 5.240 1.00 0.00 C ATOM 890 C HIS A 55 5.213 -10.525 5.332 1.00 0.00 C ATOM 891 O HIS A 55 5.865 -10.059 4.398 1.00 0.00 O ATOM 892 CB HIS A 55 3.319 -11.838 4.362 1.00 0.00 C ATOM 893 CG HIS A 55 1.991 -12.440 4.707 1.00 0.00 C ATOM 894 ND1 HIS A 55 1.852 -13.717 5.209 1.00 0.00 N ATOM 895 CD2 HIS A 55 0.738 -11.934 4.620 1.00 0.00 C ATOM 896 CE1 HIS A 55 0.571 -13.970 5.416 1.00 0.00 C ATOM 897 NE2 HIS A 55 -0.124 -12.904 5.069 1.00 0.00 N ATOM 0 H HIS A 55 3.258 -9.278 3.711 1.00 0.00 H new ATOM 0 HA HIS A 55 3.296 -10.799 6.243 1.00 0.00 H new ATOM 0 HB2 HIS A 55 3.306 -11.522 3.319 1.00 0.00 H new ATOM 0 HB3 HIS A 55 4.090 -12.603 4.454 1.00 0.00 H new ATOM 0 HD1 HIS A 55 2.618 -14.365 5.392 1.00 0.00 H new ATOM 0 HD2 HIS A 55 0.467 -10.951 4.264 1.00 0.00 H new ATOM 0 HE1 HIS A 55 0.163 -14.892 5.803 1.00 0.00 H new ATOM 906 N VAL A 56 5.770 -10.953 6.461 1.00 0.00 N ATOM 907 CA VAL A 56 7.213 -10.898 6.665 1.00 0.00 C ATOM 908 C VAL A 56 7.714 -12.134 7.407 1.00 0.00 C ATOM 909 O VAL A 56 7.338 -12.376 8.552 1.00 0.00 O ATOM 910 CB VAL A 56 7.620 -9.641 7.457 1.00 0.00 C ATOM 911 CG1 VAL A 56 7.543 -8.405 6.575 1.00 0.00 C ATOM 912 CG2 VAL A 56 6.744 -9.479 8.692 1.00 0.00 C ATOM 0 H VAL A 56 5.246 -11.340 7.246 1.00 0.00 H new ATOM 0 HA VAL A 56 7.669 -10.862 5.676 1.00 0.00 H new ATOM 0 HB VAL A 56 8.652 -9.761 7.786 1.00 0.00 H new ATOM 0 HG11 VAL A 56 7.834 -7.527 7.152 1.00 0.00 H new ATOM 0 HG12 VAL A 56 8.217 -8.521 5.726 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.523 -8.279 6.213 1.00 0.00 H new ATOM 0 HG21 VAL A 56 7.047 -8.586 9.238 1.00 0.00 H new ATOM 0 HG22 VAL A 56 5.702 -9.383 8.389 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.856 -10.352 9.334 1.00 0.00 H new ATOM 922 N ASN A 57 8.574 -12.907 6.744 1.00 0.00 N ATOM 923 CA ASN A 57 9.144 -14.123 7.328 1.00 0.00 C ATOM 924 C ASN A 57 8.099 -14.916 8.124 1.00 0.00 C ATOM 925 O ASN A 57 7.355 -15.717 7.555 1.00 0.00 O ATOM 926 CB ASN A 57 10.340 -13.771 8.219 1.00 0.00 C ATOM 927 CG ASN A 57 11.574 -13.411 7.414 1.00 0.00 C ATOM 928 OD1 ASN A 57 12.166 -12.349 7.608 1.00 0.00 O ATOM 929 ND2 ASN A 57 11.967 -14.294 6.504 1.00 0.00 N ATOM 0 H ASN A 57 8.894 -12.711 5.795 1.00 0.00 H new ATOM 0 HA ASN A 57 9.482 -14.757 6.509 1.00 0.00 H new ATOM 0 HB2 ASN A 57 10.074 -12.935 8.865 1.00 0.00 H new ATOM 0 HB3 ASN A 57 10.567 -14.616 8.869 1.00 0.00 H new ATOM 0 HD21 ASN A 57 12.790 -14.105 5.932 1.00 0.00 H new ATOM 0 HD22 ASN A 57 11.446 -15.162 6.377 1.00 0.00 H new ATOM 936 N GLY A 58 8.046 -14.696 9.438 1.00 0.00 N ATOM 937 CA GLY A 58 7.091 -15.402 10.273 1.00 0.00 C ATOM 938 C GLY A 58 6.184 -14.462 11.042 1.00 0.00 C ATOM 939 O GLY A 58 5.753 -14.773 12.153 1.00 0.00 O ATOM 0 H GLY A 58 8.648 -14.041 9.937 1.00 0.00 H new ATOM 0 HA2 GLY A 58 6.484 -16.058 9.649 1.00 0.00 H new ATOM 0 HA3 GLY A 58 7.629 -16.038 10.976 1.00 0.00 H new ATOM 943 N GLY A 59 5.891 -13.312 10.448 1.00 0.00 N ATOM 944 CA GLY A 59 5.029 -12.338 11.092 1.00 0.00 C ATOM 945 C GLY A 59 4.047 -11.713 10.122 1.00 0.00 C ATOM 946 O GLY A 59 4.292 -11.680 8.917 1.00 0.00 O ATOM 0 H GLY A 59 6.236 -13.035 9.529 1.00 0.00 H new ATOM 0 HA2 GLY A 59 4.481 -12.820 11.902 1.00 0.00 H new ATOM 0 HA3 GLY A 59 5.640 -11.556 11.542 1.00 0.00 H new ATOM 950 N GLU A 60 2.931 -11.219 10.646 1.00 0.00 N ATOM 951 CA GLU A 60 1.911 -10.598 9.810 1.00 0.00 C ATOM 952 C GLU A 60 1.414 -9.294 10.424 1.00 0.00 C ATOM 953 O GLU A 60 0.845 -9.286 11.515 1.00 0.00 O ATOM 954 CB GLU A 60 0.738 -11.557 9.605 1.00 0.00 C ATOM 955 CG GLU A 60 1.124 -12.850 8.906 1.00 0.00 C ATOM 956 CD GLU A 60 0.079 -13.937 9.071 1.00 0.00 C ATOM 957 OE1 GLU A 60 -1.120 -13.600 9.156 1.00 0.00 O ATOM 958 OE2 GLU A 60 0.460 -15.126 9.115 1.00 0.00 O ATOM 0 H GLU A 60 2.710 -11.236 11.642 1.00 0.00 H new ATOM 0 HA GLU A 60 2.362 -10.371 8.844 1.00 0.00 H new ATOM 0 HB2 GLU A 60 0.300 -11.795 10.575 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -0.033 -11.055 9.021 1.00 0.00 H new ATOM 0 HG2 GLU A 60 1.274 -12.654 7.844 1.00 0.00 H new ATOM 0 HG3 GLU A 60 2.076 -13.203 9.303 1.00 0.00 H new ATOM 965 N ILE A 61 1.628 -8.193 9.709 1.00 0.00 N ATOM 966 CA ILE A 61 1.196 -6.883 10.176 1.00 0.00 C ATOM 967 C ILE A 61 -0.076 -6.453 9.453 1.00 0.00 C ATOM 968 O ILE A 61 -0.204 -6.644 8.244 1.00 0.00 O ATOM 969 CB ILE A 61 2.286 -5.815 9.955 1.00 0.00 C ATOM 970 CG1 ILE A 61 3.624 -6.292 10.522 1.00 0.00 C ATOM 971 CG2 ILE A 61 1.875 -4.496 10.595 1.00 0.00 C ATOM 972 CD1 ILE A 61 4.818 -5.860 9.697 1.00 0.00 C ATOM 0 H ILE A 61 2.098 -8.184 8.804 1.00 0.00 H new ATOM 0 HA ILE A 61 1.003 -6.969 11.245 1.00 0.00 H new ATOM 0 HB ILE A 61 2.403 -5.656 8.883 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.736 -5.910 11.537 1.00 0.00 H new ATOM 0 HG13 ILE A 61 3.614 -7.380 10.590 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.655 -3.753 10.430 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.943 -4.149 10.148 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.732 -4.640 11.666 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.733 -6.233 10.158 1.00 0.00 H new ATOM 0 HD12 ILE A 61 4.729 -6.264 8.689 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.853 -4.772 9.650 1.00 0.00 H new ATOM 984 N HIS A 62 -1.012 -5.870 10.193 1.00 0.00 N ATOM 985 CA HIS A 62 -2.268 -5.414 9.609 1.00 0.00 C ATOM 986 C HIS A 62 -2.611 -4.005 10.080 1.00 0.00 C ATOM 987 O HIS A 62 -2.913 -3.789 11.253 1.00 0.00 O ATOM 988 CB HIS A 62 -3.402 -6.374 9.971 1.00 0.00 C ATOM 989 CG HIS A 62 -4.523 -6.375 8.981 1.00 0.00 C ATOM 990 ND1 HIS A 62 -5.535 -7.312 8.988 1.00 0.00 N ATOM 991 CD2 HIS A 62 -4.790 -5.545 7.943 1.00 0.00 C ATOM 992 CE1 HIS A 62 -6.374 -7.060 8.000 1.00 0.00 C ATOM 993 NE2 HIS A 62 -5.946 -5.993 7.352 1.00 0.00 N ATOM 0 H HIS A 62 -0.926 -5.702 11.195 1.00 0.00 H new ATOM 0 HA HIS A 62 -2.148 -5.395 8.526 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -3.000 -7.384 10.053 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -3.795 -6.106 10.952 1.00 0.00 H new ATOM 0 HD1 HIS A 62 -5.622 -8.080 9.653 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -4.203 -4.691 7.638 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -7.260 -7.630 7.763 1.00 0.00 H new ATOM 1002 N ALA A 63 -2.569 -3.048 9.159 1.00 0.00 N ATOM 1003 CA ALA A 63 -2.884 -1.662 9.484 1.00 0.00 C ATOM 1004 C ALA A 63 -3.988 -1.131 8.581 1.00 0.00 C ATOM 1005 O ALA A 63 -4.178 -1.619 7.466 1.00 0.00 O ATOM 1006 CB ALA A 63 -1.638 -0.797 9.367 1.00 0.00 C ATOM 0 H ALA A 63 -2.320 -3.207 8.183 1.00 0.00 H new ATOM 0 HA ALA A 63 -3.241 -1.624 10.513 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -1.887 0.235 9.612 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -0.877 -1.160 10.057 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -1.256 -0.845 8.347 1.00 0.00 H new ATOM 1012 N SER A 64 -4.711 -0.123 9.058 1.00 0.00 N ATOM 1013 CA SER A 64 -5.790 0.479 8.287 1.00 0.00 C ATOM 1014 C SER A 64 -5.795 1.990 8.483 1.00 0.00 C ATOM 1015 O SER A 64 -5.860 2.475 9.612 1.00 0.00 O ATOM 1016 CB SER A 64 -7.139 -0.110 8.703 1.00 0.00 C ATOM 1017 OG SER A 64 -7.454 0.232 10.042 1.00 0.00 O ATOM 0 H SER A 64 -4.568 0.294 9.978 1.00 0.00 H new ATOM 0 HA SER A 64 -5.626 0.260 7.232 1.00 0.00 H new ATOM 0 HB2 SER A 64 -7.920 0.257 8.037 1.00 0.00 H new ATOM 0 HB3 SER A 64 -7.114 -1.195 8.598 1.00 0.00 H new ATOM 0 HG SER A 64 -7.051 1.098 10.262 1.00 0.00 H new ATOM 1023 N ALA A 65 -5.712 2.734 7.387 1.00 0.00 N ATOM 1024 CA ALA A 65 -5.694 4.189 7.459 1.00 0.00 C ATOM 1025 C ALA A 65 -6.842 4.813 6.676 1.00 0.00 C ATOM 1026 O ALA A 65 -7.339 4.237 5.708 1.00 0.00 O ATOM 1027 CB ALA A 65 -4.361 4.722 6.954 1.00 0.00 C ATOM 0 H ALA A 65 -5.656 2.356 6.441 1.00 0.00 H new ATOM 0 HA ALA A 65 -5.822 4.468 8.505 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -4.359 5.810 7.012 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.554 4.324 7.569 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -4.215 4.414 5.919 1.00 0.00 H new ATOM 1033 N GLU A 66 -7.248 6.005 7.104 1.00 0.00 N ATOM 1034 CA GLU A 66 -8.328 6.736 6.452 1.00 0.00 C ATOM 1035 C GLU A 66 -7.898 8.174 6.184 1.00 0.00 C ATOM 1036 O GLU A 66 -6.987 8.685 6.833 1.00 0.00 O ATOM 1037 CB GLU A 66 -9.586 6.719 7.323 1.00 0.00 C ATOM 1038 CG GLU A 66 -9.315 7.017 8.789 1.00 0.00 C ATOM 1039 CD GLU A 66 -10.589 7.183 9.594 1.00 0.00 C ATOM 1040 OE1 GLU A 66 -11.528 7.835 9.092 1.00 0.00 O ATOM 1041 OE2 GLU A 66 -10.648 6.660 10.727 1.00 0.00 O ATOM 0 H GLU A 66 -6.841 6.487 7.905 1.00 0.00 H new ATOM 0 HA GLU A 66 -8.554 6.250 5.503 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.295 7.451 6.937 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -10.061 5.741 7.241 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -8.722 6.209 9.217 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -8.719 7.926 8.867 1.00 0.00 H new ATOM 1048 N GLY A 67 -8.545 8.823 5.219 1.00 0.00 N ATOM 1049 CA GLY A 67 -8.187 10.192 4.897 1.00 0.00 C ATOM 1050 C GLY A 67 -9.369 11.027 4.444 1.00 0.00 C ATOM 1051 O GLY A 67 -9.777 11.963 5.131 1.00 0.00 O ATOM 0 H GLY A 67 -9.302 8.430 4.660 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -7.735 10.658 5.773 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -7.431 10.188 4.112 1.00 0.00 H new ATOM 1055 N GLN A 68 -9.912 10.693 3.279 1.00 0.00 N ATOM 1056 CA GLN A 68 -11.049 11.427 2.727 1.00 0.00 C ATOM 1057 C GLN A 68 -11.530 10.815 1.412 1.00 0.00 C ATOM 1058 O GLN A 68 -12.695 10.964 1.042 1.00 0.00 O ATOM 1059 CB GLN A 68 -10.675 12.895 2.505 1.00 0.00 C ATOM 1060 CG GLN A 68 -11.830 13.751 2.013 1.00 0.00 C ATOM 1061 CD GLN A 68 -11.442 14.646 0.853 1.00 0.00 C ATOM 1062 OE1 GLN A 68 -12.039 14.585 -0.220 1.00 0.00 O ATOM 1063 NE2 GLN A 68 -10.434 15.485 1.064 1.00 0.00 N ATOM 0 H GLN A 68 -9.586 9.921 2.698 1.00 0.00 H new ATOM 0 HA GLN A 68 -11.863 11.362 3.449 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -10.299 13.310 3.440 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -9.861 12.948 1.782 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -12.652 13.104 1.708 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -12.197 14.366 2.835 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -9.966 15.503 1.970 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -10.128 16.112 0.320 1.00 0.00 H new ATOM 1072 N ASP A 69 -10.637 10.119 0.713 1.00 0.00 N ATOM 1073 CA ASP A 69 -10.979 9.483 -0.550 1.00 0.00 C ATOM 1074 C ASP A 69 -10.171 8.203 -0.727 1.00 0.00 C ATOM 1075 O ASP A 69 -9.324 7.877 0.105 1.00 0.00 O ATOM 1076 CB ASP A 69 -10.725 10.436 -1.721 1.00 0.00 C ATOM 1077 CG ASP A 69 -9.263 10.816 -1.852 1.00 0.00 C ATOM 1078 OD1 ASP A 69 -8.507 10.057 -2.493 1.00 0.00 O ATOM 1079 OD2 ASP A 69 -8.875 11.874 -1.312 1.00 0.00 O ATOM 0 H ASP A 69 -9.669 9.983 1.004 1.00 0.00 H new ATOM 0 HA ASP A 69 -12.040 9.233 -0.535 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -11.060 9.967 -2.646 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -11.321 11.339 -1.587 1.00 0.00 H new ATOM 1084 N MET A 70 -10.432 7.478 -1.809 1.00 0.00 N ATOM 1085 CA MET A 70 -9.720 6.234 -2.079 1.00 0.00 C ATOM 1086 C MET A 70 -8.208 6.446 -2.053 1.00 0.00 C ATOM 1087 O MET A 70 -7.492 5.783 -1.304 1.00 0.00 O ATOM 1088 CB MET A 70 -10.140 5.661 -3.433 1.00 0.00 C ATOM 1089 CG MET A 70 -9.705 4.220 -3.640 1.00 0.00 C ATOM 1090 SD MET A 70 -10.657 3.059 -2.644 1.00 0.00 S ATOM 1091 CE MET A 70 -11.637 2.253 -3.908 1.00 0.00 C ATOM 0 H MET A 70 -11.128 7.729 -2.511 1.00 0.00 H new ATOM 0 HA MET A 70 -9.981 5.525 -1.294 1.00 0.00 H new ATOM 0 HB2 MET A 70 -11.224 5.722 -3.524 1.00 0.00 H new ATOM 0 HB3 MET A 70 -9.718 6.278 -4.227 1.00 0.00 H new ATOM 0 HG2 MET A 70 -9.810 3.960 -4.693 1.00 0.00 H new ATOM 0 HG3 MET A 70 -8.648 4.124 -3.392 1.00 0.00 H new ATOM 0 HE1 MET A 70 -12.650 2.095 -3.538 1.00 0.00 H new ATOM 0 HE2 MET A 70 -11.670 2.881 -4.798 1.00 0.00 H new ATOM 0 HE3 MET A 70 -11.188 1.292 -4.158 1.00 0.00 H new ATOM 1101 N TYR A 71 -7.729 7.373 -2.879 1.00 0.00 N ATOM 1102 CA TYR A 71 -6.303 7.669 -2.952 1.00 0.00 C ATOM 1103 C TYR A 71 -5.762 8.122 -1.598 1.00 0.00 C ATOM 1104 O TYR A 71 -4.641 7.779 -1.220 1.00 0.00 O ATOM 1105 CB TYR A 71 -6.041 8.749 -4.004 1.00 0.00 C ATOM 1106 CG TYR A 71 -6.469 8.353 -5.398 1.00 0.00 C ATOM 1107 CD1 TYR A 71 -5.982 7.196 -5.993 1.00 0.00 C ATOM 1108 CD2 TYR A 71 -7.362 9.136 -6.121 1.00 0.00 C ATOM 1109 CE1 TYR A 71 -6.370 6.830 -7.269 1.00 0.00 C ATOM 1110 CE2 TYR A 71 -7.754 8.777 -7.396 1.00 0.00 C ATOM 1111 CZ TYR A 71 -7.257 7.624 -7.965 1.00 0.00 C ATOM 1112 OH TYR A 71 -7.646 7.265 -9.235 1.00 0.00 O ATOM 0 H TYR A 71 -8.308 7.931 -3.506 1.00 0.00 H new ATOM 0 HA TYR A 71 -5.785 6.753 -3.238 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -6.567 9.659 -3.717 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -4.977 8.985 -4.013 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -5.288 6.571 -5.450 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -7.755 10.039 -5.679 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -5.981 5.928 -7.718 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -8.447 9.397 -7.945 1.00 0.00 H new ATOM 0 HH TYR A 71 -8.275 7.930 -9.585 1.00 0.00 H new ATOM 1122 N ALA A 72 -6.561 8.899 -0.874 1.00 0.00 N ATOM 1123 CA ALA A 72 -6.158 9.402 0.435 1.00 0.00 C ATOM 1124 C ALA A 72 -5.884 8.261 1.409 1.00 0.00 C ATOM 1125 O ALA A 72 -4.822 8.200 2.027 1.00 0.00 O ATOM 1126 CB ALA A 72 -7.223 10.334 0.993 1.00 0.00 C ATOM 0 H ALA A 72 -7.491 9.194 -1.171 1.00 0.00 H new ATOM 0 HA ALA A 72 -5.231 9.961 0.309 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -6.909 10.702 1.970 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.361 11.176 0.315 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -8.164 9.792 1.094 1.00 0.00 H new ATOM 1132 N ALA A 73 -6.853 7.361 1.548 1.00 0.00 N ATOM 1133 CA ALA A 73 -6.719 6.224 2.453 1.00 0.00 C ATOM 1134 C ALA A 73 -5.470 5.407 2.139 1.00 0.00 C ATOM 1135 O ALA A 73 -4.860 4.820 3.033 1.00 0.00 O ATOM 1136 CB ALA A 73 -7.958 5.345 2.381 1.00 0.00 C ATOM 0 H ALA A 73 -7.740 7.397 1.045 1.00 0.00 H new ATOM 0 HA ALA A 73 -6.617 6.612 3.466 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -7.845 4.501 3.061 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -8.834 5.927 2.668 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -8.084 4.977 1.363 1.00 0.00 H new ATOM 1142 N ILE A 74 -5.093 5.373 0.864 1.00 0.00 N ATOM 1143 CA ILE A 74 -3.917 4.628 0.435 1.00 0.00 C ATOM 1144 C ILE A 74 -2.633 5.398 0.739 1.00 0.00 C ATOM 1145 O ILE A 74 -1.561 4.808 0.864 1.00 0.00 O ATOM 1146 CB ILE A 74 -3.972 4.305 -1.073 1.00 0.00 C ATOM 1147 CG1 ILE A 74 -5.253 3.536 -1.404 1.00 0.00 C ATOM 1148 CG2 ILE A 74 -2.744 3.510 -1.498 1.00 0.00 C ATOM 1149 CD1 ILE A 74 -5.298 2.148 -0.805 1.00 0.00 C ATOM 0 H ILE A 74 -5.586 5.853 0.111 1.00 0.00 H new ATOM 0 HA ILE A 74 -3.914 3.693 0.996 1.00 0.00 H new ATOM 0 HB ILE A 74 -3.977 5.243 -1.628 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -6.111 4.105 -1.046 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -5.351 3.459 -2.487 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -2.802 3.293 -2.565 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -1.845 4.093 -1.295 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -2.704 2.575 -0.939 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -6.234 1.663 -1.081 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -4.460 1.562 -1.182 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -5.232 2.218 0.281 1.00 0.00 H new ATOM 1161 N ASP A 75 -2.749 6.718 0.859 1.00 0.00 N ATOM 1162 CA ASP A 75 -1.595 7.561 1.153 1.00 0.00 C ATOM 1163 C ASP A 75 -1.176 7.419 2.613 1.00 0.00 C ATOM 1164 O ASP A 75 -0.011 7.150 2.912 1.00 0.00 O ATOM 1165 CB ASP A 75 -1.912 9.024 0.836 1.00 0.00 C ATOM 1166 CG ASP A 75 -0.934 9.628 -0.153 1.00 0.00 C ATOM 1167 OD1 ASP A 75 -0.750 9.040 -1.238 1.00 0.00 O ATOM 1168 OD2 ASP A 75 -0.351 10.688 0.160 1.00 0.00 O ATOM 0 H ASP A 75 -3.628 7.225 0.757 1.00 0.00 H new ATOM 0 HA ASP A 75 -0.766 7.234 0.525 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -2.922 9.095 0.433 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -1.896 9.604 1.759 1.00 0.00 H new ATOM 1173 N GLY A 76 -2.132 7.594 3.519 1.00 0.00 N ATOM 1174 CA GLY A 76 -1.842 7.475 4.935 1.00 0.00 C ATOM 1175 C GLY A 76 -1.500 6.053 5.333 1.00 0.00 C ATOM 1176 O GLY A 76 -0.636 5.828 6.180 1.00 0.00 O ATOM 0 H GLY A 76 -3.103 7.816 3.297 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -1.010 8.132 5.190 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -2.704 7.814 5.510 1.00 0.00 H new ATOM 1180 N LEU A 77 -2.179 5.094 4.716 1.00 0.00 N ATOM 1181 CA LEU A 77 -1.948 3.682 5.000 1.00 0.00 C ATOM 1182 C LEU A 77 -0.566 3.254 4.511 1.00 0.00 C ATOM 1183 O LEU A 77 0.148 2.519 5.191 1.00 0.00 O ATOM 1184 CB LEU A 77 -3.036 2.832 4.333 1.00 0.00 C ATOM 1185 CG LEU A 77 -2.674 1.364 4.092 1.00 0.00 C ATOM 1186 CD1 LEU A 77 -3.929 0.507 4.067 1.00 0.00 C ATOM 1187 CD2 LEU A 77 -1.900 1.215 2.791 1.00 0.00 C ATOM 0 H LEU A 77 -2.897 5.269 4.013 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.990 3.531 6.079 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.932 2.870 4.953 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.291 3.287 3.376 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.040 1.024 4.911 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.655 -0.534 3.895 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.447 0.593 5.022 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -4.586 0.847 3.266 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.650 0.166 2.634 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.511 1.570 1.961 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.983 1.802 2.844 1.00 0.00 H new ATOM 1199 N ILE A 78 -0.201 3.724 3.325 1.00 0.00 N ATOM 1200 CA ILE A 78 1.091 3.396 2.734 1.00 0.00 C ATOM 1201 C ILE A 78 2.217 4.198 3.392 1.00 0.00 C ATOM 1202 O ILE A 78 3.394 3.867 3.243 1.00 0.00 O ATOM 1203 CB ILE A 78 1.079 3.662 1.211 1.00 0.00 C ATOM 1204 CG1 ILE A 78 0.204 2.626 0.502 1.00 0.00 C ATOM 1205 CG2 ILE A 78 2.489 3.646 0.635 1.00 0.00 C ATOM 1206 CD1 ILE A 78 0.678 1.202 0.692 1.00 0.00 C ATOM 0 H ILE A 78 -0.783 4.335 2.752 1.00 0.00 H new ATOM 0 HA ILE A 78 1.273 2.335 2.907 1.00 0.00 H new ATOM 0 HB ILE A 78 0.661 4.655 1.045 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -0.818 2.712 0.871 1.00 0.00 H new ATOM 0 HG13 ILE A 78 0.178 2.853 -0.564 1.00 0.00 H new ATOM 0 HG21 ILE A 78 2.446 3.836 -0.437 1.00 0.00 H new ATOM 0 HG22 ILE A 78 3.088 4.419 1.117 1.00 0.00 H new ATOM 0 HG23 ILE A 78 2.944 2.671 0.813 1.00 0.00 H new ATOM 0 HD11 ILE A 78 0.010 0.523 0.162 1.00 0.00 H new ATOM 0 HD12 ILE A 78 1.689 1.099 0.297 1.00 0.00 H new ATOM 0 HD13 ILE A 78 0.677 0.957 1.754 1.00 0.00 H new ATOM 1218 N ASP A 79 1.850 5.244 4.129 1.00 0.00 N ATOM 1219 CA ASP A 79 2.832 6.078 4.811 1.00 0.00 C ATOM 1220 C ASP A 79 3.312 5.411 6.095 1.00 0.00 C ATOM 1221 O ASP A 79 4.512 5.242 6.310 1.00 0.00 O ATOM 1222 CB ASP A 79 2.234 7.451 5.128 1.00 0.00 C ATOM 1223 CG ASP A 79 2.525 8.472 4.045 1.00 0.00 C ATOM 1224 OD1 ASP A 79 2.256 8.175 2.861 1.00 0.00 O ATOM 1225 OD2 ASP A 79 3.019 9.568 4.380 1.00 0.00 O ATOM 0 H ASP A 79 0.882 5.532 4.268 1.00 0.00 H new ATOM 0 HA ASP A 79 3.687 6.207 4.147 1.00 0.00 H new ATOM 0 HB2 ASP A 79 1.155 7.355 5.252 1.00 0.00 H new ATOM 0 HB3 ASP A 79 2.634 7.808 6.077 1.00 0.00 H new ATOM 1230 N LYS A 80 2.363 5.032 6.945 1.00 0.00 N ATOM 1231 CA LYS A 80 2.686 4.380 8.211 1.00 0.00 C ATOM 1232 C LYS A 80 3.134 2.939 7.984 1.00 0.00 C ATOM 1233 O LYS A 80 3.874 2.377 8.792 1.00 0.00 O ATOM 1234 CB LYS A 80 1.479 4.410 9.152 1.00 0.00 C ATOM 1235 CG LYS A 80 0.167 4.034 8.479 1.00 0.00 C ATOM 1236 CD LYS A 80 -0.719 3.207 9.400 1.00 0.00 C ATOM 1237 CE LYS A 80 -1.970 3.970 9.808 1.00 0.00 C ATOM 1238 NZ LYS A 80 -1.642 5.246 10.500 1.00 0.00 N ATOM 0 H LYS A 80 1.365 5.165 6.781 1.00 0.00 H new ATOM 0 HA LYS A 80 3.508 4.929 8.671 1.00 0.00 H new ATOM 0 HB2 LYS A 80 1.660 3.727 9.982 1.00 0.00 H new ATOM 0 HB3 LYS A 80 1.386 5.410 9.576 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -0.362 4.939 8.181 1.00 0.00 H new ATOM 0 HG3 LYS A 80 0.373 3.471 7.569 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -1.004 2.282 8.898 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -0.157 2.926 10.291 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -2.571 4.181 8.923 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -2.577 3.347 10.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -2.471 5.573 11.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -0.846 5.093 11.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -1.380 5.965 9.796 1.00 0.00 H new ATOM 1252 N LEU A 81 2.689 2.347 6.879 1.00 0.00 N ATOM 1253 CA LEU A 81 3.052 0.975 6.552 1.00 0.00 C ATOM 1254 C LEU A 81 4.523 0.882 6.158 1.00 0.00 C ATOM 1255 O LEU A 81 5.262 0.053 6.685 1.00 0.00 O ATOM 1256 CB LEU A 81 2.169 0.447 5.415 1.00 0.00 C ATOM 1257 CG LEU A 81 0.820 -0.152 5.839 1.00 0.00 C ATOM 1258 CD1 LEU A 81 0.934 -1.660 5.997 1.00 0.00 C ATOM 1259 CD2 LEU A 81 0.315 0.480 7.131 1.00 0.00 C ATOM 0 H LEU A 81 2.078 2.796 6.197 1.00 0.00 H new ATOM 0 HA LEU A 81 2.893 0.361 7.439 1.00 0.00 H new ATOM 0 HB2 LEU A 81 1.980 1.264 4.718 1.00 0.00 H new ATOM 0 HB3 LEU A 81 2.728 -0.314 4.870 1.00 0.00 H new ATOM 0 HG LEU A 81 0.096 0.066 5.053 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.031 -2.068 6.298 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.236 -2.103 5.048 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.679 -1.891 6.759 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.642 0.035 7.404 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.038 0.305 7.928 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.187 1.553 6.986 1.00 0.00 H new ATOM 1271 N ALA A 82 4.944 1.740 5.233 1.00 0.00 N ATOM 1272 CA ALA A 82 6.330 1.746 4.783 1.00 0.00 C ATOM 1273 C ALA A 82 7.278 2.046 5.941 1.00 0.00 C ATOM 1274 O ALA A 82 8.225 1.300 6.192 1.00 0.00 O ATOM 1275 CB ALA A 82 6.524 2.757 3.664 1.00 0.00 C ATOM 0 H ALA A 82 4.349 2.436 4.784 1.00 0.00 H new ATOM 0 HA ALA A 82 6.564 0.753 4.399 1.00 0.00 H new ATOM 0 HB1 ALA A 82 7.565 2.747 3.341 1.00 0.00 H new ATOM 0 HB2 ALA A 82 5.881 2.497 2.823 1.00 0.00 H new ATOM 0 HB3 ALA A 82 6.265 3.753 4.024 1.00 0.00 H new ATOM 1281 N ARG A 83 7.018 3.146 6.643 1.00 0.00 N ATOM 1282 CA ARG A 83 7.848 3.550 7.774 1.00 0.00 C ATOM 1283 C ARG A 83 7.975 2.428 8.802 1.00 0.00 C ATOM 1284 O ARG A 83 9.021 2.265 9.432 1.00 0.00 O ATOM 1285 CB ARG A 83 7.264 4.799 8.440 1.00 0.00 C ATOM 1286 CG ARG A 83 7.272 6.026 7.543 1.00 0.00 C ATOM 1287 CD ARG A 83 8.674 6.351 7.053 1.00 0.00 C ATOM 1288 NE ARG A 83 8.883 5.923 5.672 1.00 0.00 N ATOM 1289 CZ ARG A 83 8.229 6.432 4.631 1.00 0.00 C ATOM 1290 NH1 ARG A 83 7.327 7.389 4.808 1.00 0.00 N ATOM 1291 NH2 ARG A 83 8.480 5.984 3.409 1.00 0.00 N ATOM 0 H ARG A 83 6.238 3.774 6.448 1.00 0.00 H new ATOM 0 HA ARG A 83 8.843 3.775 7.391 1.00 0.00 H new ATOM 0 HB2 ARG A 83 6.239 4.591 8.748 1.00 0.00 H new ATOM 0 HB3 ARG A 83 7.831 5.017 9.345 1.00 0.00 H new ATOM 0 HG2 ARG A 83 6.617 5.857 6.688 1.00 0.00 H new ATOM 0 HG3 ARG A 83 6.870 6.879 8.089 1.00 0.00 H new ATOM 0 HD2 ARG A 83 8.845 7.425 7.130 1.00 0.00 H new ATOM 0 HD3 ARG A 83 9.406 5.865 7.698 1.00 0.00 H new ATOM 0 HE ARG A 83 9.571 5.191 5.495 1.00 0.00 H new ATOM 0 HH11 ARG A 83 7.132 7.739 5.746 1.00 0.00 H new ATOM 0 HH12 ARG A 83 6.829 7.775 4.006 1.00 0.00 H new ATOM 0 HH21 ARG A 83 9.174 5.250 3.267 1.00 0.00 H new ATOM 0 HH22 ARG A 83 7.979 6.373 2.610 1.00 0.00 H new ATOM 1305 N GLN A 84 6.909 1.648 8.964 1.00 0.00 N ATOM 1306 CA GLN A 84 6.914 0.540 9.912 1.00 0.00 C ATOM 1307 C GLN A 84 7.697 -0.643 9.355 1.00 0.00 C ATOM 1308 O GLN A 84 8.523 -1.239 10.046 1.00 0.00 O ATOM 1309 CB GLN A 84 5.481 0.113 10.235 1.00 0.00 C ATOM 1310 CG GLN A 84 4.739 1.097 11.125 1.00 0.00 C ATOM 1311 CD GLN A 84 4.728 0.671 12.581 1.00 0.00 C ATOM 1312 OE1 GLN A 84 5.193 -0.415 12.926 1.00 0.00 O ATOM 1313 NE2 GLN A 84 4.193 1.528 13.443 1.00 0.00 N ATOM 0 H GLN A 84 6.034 1.763 8.452 1.00 0.00 H new ATOM 0 HA GLN A 84 7.400 0.876 10.828 1.00 0.00 H new ATOM 0 HB2 GLN A 84 4.929 -0.010 9.303 1.00 0.00 H new ATOM 0 HB3 GLN A 84 5.502 -0.861 10.723 1.00 0.00 H new ATOM 0 HG2 GLN A 84 5.204 2.079 11.041 1.00 0.00 H new ATOM 0 HG3 GLN A 84 3.713 1.199 10.772 1.00 0.00 H new ATOM 0 HE21 GLN A 84 3.819 2.418 13.112 1.00 0.00 H new ATOM 0 HE22 GLN A 84 4.156 1.297 14.436 1.00 0.00 H new ATOM 1322 N LEU A 85 7.429 -0.973 8.095 1.00 0.00 N ATOM 1323 CA LEU A 85 8.105 -2.081 7.434 1.00 0.00 C ATOM 1324 C LEU A 85 9.619 -1.893 7.467 1.00 0.00 C ATOM 1325 O LEU A 85 10.362 -2.830 7.754 1.00 0.00 O ATOM 1326 CB LEU A 85 7.625 -2.213 5.985 1.00 0.00 C ATOM 1327 CG LEU A 85 6.358 -3.053 5.777 1.00 0.00 C ATOM 1328 CD1 LEU A 85 6.725 -4.492 5.447 1.00 0.00 C ATOM 1329 CD2 LEU A 85 5.451 -3.002 7.000 1.00 0.00 C ATOM 0 H LEU A 85 6.747 -0.487 7.512 1.00 0.00 H new ATOM 0 HA LEU A 85 7.859 -2.996 7.973 1.00 0.00 H new ATOM 0 HB2 LEU A 85 7.445 -1.214 5.589 1.00 0.00 H new ATOM 0 HB3 LEU A 85 8.430 -2.650 5.394 1.00 0.00 H new ATOM 0 HG LEU A 85 5.809 -2.628 4.937 1.00 0.00 H new ATOM 0 HD11 LEU A 85 5.816 -5.075 5.302 1.00 0.00 H new ATOM 0 HD12 LEU A 85 7.320 -4.515 4.534 1.00 0.00 H new ATOM 0 HD13 LEU A 85 7.302 -4.918 6.268 1.00 0.00 H new ATOM 0 HD21 LEU A 85 4.563 -3.607 6.820 1.00 0.00 H new ATOM 0 HD22 LEU A 85 5.986 -3.392 7.866 1.00 0.00 H new ATOM 0 HD23 LEU A 85 5.155 -1.970 7.190 1.00 0.00 H new ATOM 1341 N THR A 86 10.065 -0.675 7.177 1.00 0.00 N ATOM 1342 CA THR A 86 11.489 -0.364 7.177 1.00 0.00 C ATOM 1343 C THR A 86 12.061 -0.434 8.589 1.00 0.00 C ATOM 1344 O THR A 86 13.193 -0.877 8.792 1.00 0.00 O ATOM 1345 CB THR A 86 11.730 1.026 6.584 1.00 0.00 C ATOM 1346 OG1 THR A 86 10.596 1.853 6.769 1.00 0.00 O ATOM 1347 CG2 THR A 86 12.042 0.999 5.103 1.00 0.00 C ATOM 0 H THR A 86 9.461 0.112 6.939 1.00 0.00 H new ATOM 0 HA THR A 86 11.997 -1.106 6.561 1.00 0.00 H new ATOM 0 HB THR A 86 12.597 1.420 7.114 1.00 0.00 H new ATOM 0 HG1 THR A 86 9.891 1.587 6.142 1.00 0.00 H new ATOM 0 HG21 THR A 86 12.202 2.016 4.746 1.00 0.00 H new ATOM 0 HG22 THR A 86 12.942 0.409 4.931 1.00 0.00 H new ATOM 0 HG23 THR A 86 11.207 0.552 4.563 1.00 0.00 H new ATOM 1355 N LYS A 87 11.270 0.001 9.566 1.00 0.00 N ATOM 1356 CA LYS A 87 11.695 -0.016 10.962 1.00 0.00 C ATOM 1357 C LYS A 87 12.210 -1.399 11.355 1.00 0.00 C ATOM 1358 O LYS A 87 13.376 -1.559 11.716 1.00 0.00 O ATOM 1359 CB LYS A 87 10.537 0.394 11.875 1.00 0.00 C ATOM 1360 CG LYS A 87 10.802 1.673 12.652 1.00 0.00 C ATOM 1361 CD LYS A 87 9.521 2.460 12.884 1.00 0.00 C ATOM 1362 CE LYS A 87 9.528 3.145 14.242 1.00 0.00 C ATOM 1363 NZ LYS A 87 8.935 4.510 14.179 1.00 0.00 N ATOM 0 H LYS A 87 10.331 0.370 9.416 1.00 0.00 H new ATOM 0 HA LYS A 87 12.508 0.700 11.080 1.00 0.00 H new ATOM 0 HB2 LYS A 87 9.638 0.524 11.272 1.00 0.00 H new ATOM 0 HB3 LYS A 87 10.335 -0.414 12.578 1.00 0.00 H new ATOM 0 HG2 LYS A 87 11.259 1.429 13.611 1.00 0.00 H new ATOM 0 HG3 LYS A 87 11.516 2.290 12.106 1.00 0.00 H new ATOM 0 HD2 LYS A 87 9.404 3.207 12.099 1.00 0.00 H new ATOM 0 HD3 LYS A 87 8.664 1.790 12.817 1.00 0.00 H new ATOM 0 HE2 LYS A 87 8.970 2.540 14.957 1.00 0.00 H new ATOM 0 HE3 LYS A 87 10.552 3.211 14.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 8.959 4.943 15.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 9.482 5.096 13.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 7.950 4.446 13.852 1.00 0.00 H new ATOM 1377 N HIS A 88 11.331 -2.393 11.284 1.00 0.00 N ATOM 1378 CA HIS A 88 11.698 -3.760 11.634 1.00 0.00 C ATOM 1379 C HIS A 88 12.784 -4.291 10.697 1.00 0.00 C ATOM 1380 O HIS A 88 13.596 -5.131 11.084 1.00 0.00 O ATOM 1381 CB HIS A 88 10.466 -4.674 11.600 1.00 0.00 C ATOM 1382 CG HIS A 88 10.044 -5.085 10.221 1.00 0.00 C ATOM 1383 ND1 HIS A 88 8.838 -4.717 9.662 1.00 0.00 N ATOM 1384 CD2 HIS A 88 10.673 -5.842 9.290 1.00 0.00 C ATOM 1385 CE1 HIS A 88 8.742 -5.233 8.448 1.00 0.00 C ATOM 1386 NE2 HIS A 88 9.844 -5.919 8.199 1.00 0.00 N ATOM 0 H HIS A 88 10.362 -2.278 10.988 1.00 0.00 H new ATOM 0 HA HIS A 88 12.097 -3.754 12.648 1.00 0.00 H new ATOM 0 HB2 HIS A 88 10.675 -5.569 12.186 1.00 0.00 H new ATOM 0 HB3 HIS A 88 9.635 -4.163 12.085 1.00 0.00 H new ATOM 0 HD2 HIS A 88 11.646 -6.300 9.388 1.00 0.00 H new ATOM 0 HE1 HIS A 88 7.906 -5.114 7.775 1.00 0.00 H new ATOM 0 HE2 HIS A 88 10.046 -6.424 7.336 1.00 0.00 H new ATOM 1395 N LYS A 89 12.791 -3.792 9.464 1.00 0.00 N ATOM 1396 CA LYS A 89 13.777 -4.214 8.472 1.00 0.00 C ATOM 1397 C LYS A 89 15.175 -3.721 8.837 1.00 0.00 C ATOM 1398 O LYS A 89 16.172 -4.220 8.317 1.00 0.00 O ATOM 1399 CB LYS A 89 13.390 -3.699 7.084 1.00 0.00 C ATOM 1400 CG LYS A 89 13.545 -4.737 5.984 1.00 0.00 C ATOM 1401 CD LYS A 89 12.624 -4.444 4.810 1.00 0.00 C ATOM 1402 CE LYS A 89 12.570 -5.612 3.838 1.00 0.00 C ATOM 1403 NZ LYS A 89 11.178 -5.900 3.391 1.00 0.00 N ATOM 0 H LYS A 89 12.126 -3.096 9.128 1.00 0.00 H new ATOM 0 HA LYS A 89 13.791 -5.304 8.459 1.00 0.00 H new ATOM 0 HB2 LYS A 89 12.355 -3.359 7.108 1.00 0.00 H new ATOM 0 HB3 LYS A 89 14.005 -2.832 6.843 1.00 0.00 H new ATOM 0 HG2 LYS A 89 14.580 -4.754 5.641 1.00 0.00 H new ATOM 0 HG3 LYS A 89 13.325 -5.727 6.383 1.00 0.00 H new ATOM 0 HD2 LYS A 89 11.621 -4.229 5.178 1.00 0.00 H new ATOM 0 HD3 LYS A 89 12.970 -3.551 4.289 1.00 0.00 H new ATOM 0 HE2 LYS A 89 13.191 -5.391 2.970 1.00 0.00 H new ATOM 0 HE3 LYS A 89 12.990 -6.499 4.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 11.203 -6.402 2.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 10.701 -6.493 4.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 10.657 -5.007 3.280 1.00 0.00 H new ATOM 1417 N ASP A 90 15.247 -2.742 9.737 1.00 0.00 N ATOM 1418 CA ASP A 90 16.528 -2.194 10.166 1.00 0.00 C ATOM 1419 C ASP A 90 17.153 -3.063 11.254 1.00 0.00 C ATOM 1420 O ASP A 90 18.375 -3.121 11.389 1.00 0.00 O ATOM 1421 CB ASP A 90 16.352 -0.762 10.678 1.00 0.00 C ATOM 1422 CG ASP A 90 16.607 0.273 9.602 1.00 0.00 C ATOM 1423 OD1 ASP A 90 15.911 0.238 8.566 1.00 0.00 O ATOM 1424 OD2 ASP A 90 17.505 1.120 9.795 1.00 0.00 O ATOM 0 H ASP A 90 14.434 -2.314 10.181 1.00 0.00 H new ATOM 0 HA ASP A 90 17.196 -2.183 9.305 1.00 0.00 H new ATOM 0 HB2 ASP A 90 15.340 -0.639 11.064 1.00 0.00 H new ATOM 0 HB3 ASP A 90 17.034 -0.591 11.511 1.00 0.00 H new ATOM 1429 N LYS A 91 16.306 -3.735 12.027 1.00 0.00 N ATOM 1430 CA LYS A 91 16.775 -4.600 13.102 1.00 0.00 C ATOM 1431 C LYS A 91 17.527 -5.804 12.544 1.00 0.00 C ATOM 1432 O LYS A 91 18.628 -6.123 12.993 1.00 0.00 O ATOM 1433 CB LYS A 91 15.597 -5.074 13.954 1.00 0.00 C ATOM 1434 CG LYS A 91 15.087 -4.022 14.925 1.00 0.00 C ATOM 1435 CD LYS A 91 13.796 -3.385 14.433 1.00 0.00 C ATOM 1436 CE LYS A 91 13.369 -2.232 15.325 1.00 0.00 C ATOM 1437 NZ LYS A 91 11.953 -1.837 15.082 1.00 0.00 N ATOM 0 H LYS A 91 15.291 -3.697 11.929 1.00 0.00 H new ATOM 0 HA LYS A 91 17.458 -4.023 13.725 1.00 0.00 H new ATOM 0 HB2 LYS A 91 14.782 -5.375 13.296 1.00 0.00 H new ATOM 0 HB3 LYS A 91 15.898 -5.959 14.515 1.00 0.00 H new ATOM 0 HG2 LYS A 91 14.920 -4.477 15.901 1.00 0.00 H new ATOM 0 HG3 LYS A 91 15.846 -3.251 15.059 1.00 0.00 H new ATOM 0 HD2 LYS A 91 13.932 -3.026 13.413 1.00 0.00 H new ATOM 0 HD3 LYS A 91 13.006 -4.136 14.404 1.00 0.00 H new ATOM 0 HE2 LYS A 91 13.492 -2.516 16.370 1.00 0.00 H new ATOM 0 HE3 LYS A 91 14.020 -1.376 15.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 11.700 -1.047 15.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 11.840 -1.541 14.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 11.329 -2.646 15.275 1.00 0.00 H new ATOM 1451 N LEU A 92 16.927 -6.467 11.563 1.00 0.00 N ATOM 1452 CA LEU A 92 17.539 -7.637 10.944 1.00 0.00 C ATOM 1453 C LEU A 92 18.666 -7.227 9.999 1.00 0.00 C ATOM 1454 O LEU A 92 18.598 -7.463 8.793 1.00 0.00 O ATOM 1455 CB LEU A 92 16.487 -8.448 10.184 1.00 0.00 C ATOM 1456 CG LEU A 92 15.160 -8.641 10.923 1.00 0.00 C ATOM 1457 CD1 LEU A 92 14.083 -7.746 10.332 1.00 0.00 C ATOM 1458 CD2 LEU A 92 14.728 -10.100 10.875 1.00 0.00 C ATOM 0 H LEU A 92 16.017 -6.214 11.179 1.00 0.00 H new ATOM 0 HA LEU A 92 17.961 -8.256 11.735 1.00 0.00 H new ATOM 0 HB2 LEU A 92 16.287 -7.955 9.233 1.00 0.00 H new ATOM 0 HB3 LEU A 92 16.903 -9.429 9.953 1.00 0.00 H new ATOM 0 HG LEU A 92 15.305 -8.360 11.966 1.00 0.00 H new ATOM 0 HD11 LEU A 92 13.148 -7.898 10.871 1.00 0.00 H new ATOM 0 HD12 LEU A 92 14.388 -6.703 10.420 1.00 0.00 H new ATOM 0 HD13 LEU A 92 13.940 -7.994 9.280 1.00 0.00 H new ATOM 0 HD21 LEU A 92 13.783 -10.217 11.405 1.00 0.00 H new ATOM 0 HD22 LEU A 92 14.602 -10.408 9.837 1.00 0.00 H new ATOM 0 HD23 LEU A 92 15.489 -10.721 11.348 1.00 0.00 H new ATOM 1470 N LYS A 93 19.705 -6.613 10.558 1.00 0.00 N ATOM 1471 CA LYS A 93 20.848 -6.171 9.768 1.00 0.00 C ATOM 1472 C LYS A 93 22.138 -6.803 10.281 1.00 0.00 C ATOM 1473 O LYS A 93 22.348 -6.915 11.489 1.00 0.00 O ATOM 1474 CB LYS A 93 20.963 -4.646 9.807 1.00 0.00 C ATOM 1475 CG LYS A 93 20.030 -3.941 8.835 1.00 0.00 C ATOM 1476 CD LYS A 93 20.781 -3.416 7.621 1.00 0.00 C ATOM 1477 CE LYS A 93 19.885 -3.361 6.393 1.00 0.00 C ATOM 1478 NZ LYS A 93 19.605 -4.719 5.850 1.00 0.00 N ATOM 0 H LYS A 93 19.778 -6.411 11.555 1.00 0.00 H new ATOM 0 HA LYS A 93 20.692 -6.490 8.737 1.00 0.00 H new ATOM 0 HB2 LYS A 93 20.750 -4.300 10.818 1.00 0.00 H new ATOM 0 HB3 LYS A 93 21.991 -4.361 9.582 1.00 0.00 H new ATOM 0 HG2 LYS A 93 19.251 -4.631 8.511 1.00 0.00 H new ATOM 0 HG3 LYS A 93 19.533 -3.114 9.342 1.00 0.00 H new ATOM 0 HD2 LYS A 93 21.169 -2.420 7.835 1.00 0.00 H new ATOM 0 HD3 LYS A 93 21.640 -4.056 7.418 1.00 0.00 H new ATOM 0 HE2 LYS A 93 18.946 -2.872 6.650 1.00 0.00 H new ATOM 0 HE3 LYS A 93 20.360 -2.753 5.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 19.231 -4.636 4.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 20.484 -5.275 5.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 18.904 -5.196 6.452 1.00 0.00 H new ATOM 1492 N GLN A 94 23.000 -7.213 9.356 1.00 0.00 N ATOM 1493 CA GLN A 94 24.269 -7.834 9.716 1.00 0.00 C ATOM 1494 C GLN A 94 25.162 -6.852 10.469 1.00 0.00 C ATOM 1495 O GLN A 94 25.740 -5.943 9.875 1.00 0.00 O ATOM 1496 CB GLN A 94 24.988 -8.340 8.464 1.00 0.00 C ATOM 1497 CG GLN A 94 25.094 -7.298 7.361 1.00 0.00 C ATOM 1498 CD GLN A 94 24.551 -7.792 6.035 1.00 0.00 C ATOM 1499 OE1 GLN A 94 25.235 -8.497 5.294 1.00 0.00 O ATOM 1500 NE2 GLN A 94 23.312 -7.424 5.730 1.00 0.00 N ATOM 0 H GLN A 94 22.843 -7.126 8.352 1.00 0.00 H new ATOM 0 HA GLN A 94 24.058 -8.680 10.371 1.00 0.00 H new ATOM 0 HB2 GLN A 94 25.990 -8.670 8.739 1.00 0.00 H new ATOM 0 HB3 GLN A 94 24.460 -9.212 8.079 1.00 0.00 H new ATOM 0 HG2 GLN A 94 24.551 -6.402 7.660 1.00 0.00 H new ATOM 0 HG3 GLN A 94 26.138 -7.011 7.237 1.00 0.00 H new ATOM 0 HE21 GLN A 94 22.781 -6.838 6.374 1.00 0.00 H new ATOM 0 HE22 GLN A 94 22.892 -7.727 4.851 1.00 0.00 H new ATOM 1509 N HIS A 95 25.269 -7.043 11.780 1.00 0.00 N ATOM 1510 CA HIS A 95 26.091 -6.175 12.615 1.00 0.00 C ATOM 1511 C HIS A 95 26.817 -6.980 13.686 1.00 0.00 C ATOM 1512 O HIS A 95 26.452 -8.158 13.890 1.00 0.00 O ATOM 1513 CB HIS A 95 25.227 -5.094 13.267 1.00 0.00 C ATOM 1514 CG HIS A 95 25.285 -3.774 12.560 1.00 0.00 C ATOM 1515 ND1 HIS A 95 24.184 -3.181 11.980 1.00 0.00 N ATOM 1516 CD2 HIS A 95 26.323 -2.931 12.340 1.00 0.00 C ATOM 1517 CE1 HIS A 95 24.540 -2.032 11.435 1.00 0.00 C ATOM 1518 NE2 HIS A 95 25.832 -1.856 11.639 1.00 0.00 N ATOM 1519 OXT HIS A 95 27.747 -6.429 14.313 1.00 0.00 O ATOM 0 H HIS A 95 24.797 -7.791 12.287 1.00 0.00 H new ATOM 0 HA HIS A 95 26.837 -5.698 11.979 1.00 0.00 H new ATOM 0 HB2 HIS A 95 24.192 -5.436 13.297 1.00 0.00 H new ATOM 0 HB3 HIS A 95 25.547 -4.958 14.300 1.00 0.00 H new ATOM 0 HD2 HIS A 95 27.345 -3.077 12.657 1.00 0.00 H new ATOM 0 HE1 HIS A 95 23.885 -1.352 10.911 1.00 0.00 H new ATOM 0 HE2 HIS A 95 26.377 -1.053 11.327 1.00 0.00 H new TER 1528 HIS A 95