USER MOD reduce.3.24.130724 H: found=0, std=0, add=770, rem=0, adj=19 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 50 SER OG : rot -57:sc= -1.97 USER MOD Set 1.2: A 70 MET CE :methyl -109:sc= -6.35! (180deg=-13!) USER MOD Set 2.1: A 53 THR OG1 : rot 144:sc= 0.0356 USER MOD Set 2.2: A 62 HIS :FLIP no HD1:sc= -0.637 F(o=-1.2,f=-0.6) USER MOD Set 3.1: A 38 TYR OH : rot 11:sc= 1.34 USER MOD Set 3.2: A 55 HIS : no HE2:sc= -0.0415 K(o=1.3,f=-6.1!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 167:sc= 0.365 (180deg=0.112) USER MOD Single : A 2 GLN : amide:sc=-0.00414 K(o=-0.0041,f=-1.4) USER MOD Single : A 4 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.21 USER MOD Single : A 8 ASN : amide:sc= -2.01 K(o=-2,f=-11!) USER MOD Single : A 9 ASN : amide:sc= -0.133 K(o=-0.13,f=-1.8!) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.112 USER MOD Single : A 21 THR OG1 : rot 83:sc= 0.686 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 TYR OH : rot 180:sc= -0.468 USER MOD Single : A 35 ASN : amide:sc= -1.4 K(o=-1.4,f=-7.2!) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.741 USER MOD Single : A 48 HIS :FLIP no HD1:sc= -1.02 F(o=-1.7,f=-1) USER MOD Single : A 49 THR OG1 : rot -89:sc= 0.0315 USER MOD Single : A 57 ASN : amide:sc= -1.68 K(o=-1.7,f=-9.2!) USER MOD Single : A 64 SER OG : rot 33:sc= 1.09 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00562) USER MOD Single : A 84 GLN : amide:sc= -0.232 X(o=-0.23,f=0) USER MOD Single : A 86 THR OG1 : rot 72:sc= 0.0305 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 HIS :FLIP no HE2:sc= -9.38! C(o=-14!,f=-9.4!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 5.798 -10.321 -3.037 1.00 0.00 N ATOM 2 CA MET A 1 5.786 -11.071 -4.318 1.00 0.00 C ATOM 3 C MET A 1 4.555 -10.723 -5.150 1.00 0.00 C ATOM 4 O MET A 1 4.664 -10.131 -6.223 1.00 0.00 O ATOM 5 CB MET A 1 5.811 -12.569 -4.006 1.00 0.00 C ATOM 6 CG MET A 1 7.116 -13.249 -4.386 1.00 0.00 C ATOM 7 SD MET A 1 8.267 -13.365 -3.003 1.00 0.00 S ATOM 8 CE MET A 1 9.781 -12.797 -3.773 1.00 0.00 C ATOM 0 H1 MET A 1 6.513 -10.730 -2.402 1.00 0.00 H new ATOM 0 H2 MET A 1 6.029 -9.324 -3.221 1.00 0.00 H new ATOM 0 H3 MET A 1 4.861 -10.383 -2.590 1.00 0.00 H new ATOM 0 HA MET A 1 6.663 -10.796 -4.903 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.633 -12.712 -2.940 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.991 -13.055 -4.534 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.904 -14.250 -4.762 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.586 -12.696 -5.199 1.00 0.00 H new ATOM 0 HE1 MET A 1 10.589 -12.812 -3.042 1.00 0.00 H new ATOM 0 HE2 MET A 1 10.034 -13.453 -4.606 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.643 -11.780 -4.141 1.00 0.00 H new ATOM 20 N GLN A 2 3.382 -11.096 -4.645 1.00 0.00 N ATOM 21 CA GLN A 2 2.130 -10.823 -5.341 1.00 0.00 C ATOM 22 C GLN A 2 1.158 -10.071 -4.436 1.00 0.00 C ATOM 23 O GLN A 2 1.124 -10.292 -3.225 1.00 0.00 O ATOM 24 CB GLN A 2 1.493 -12.129 -5.820 1.00 0.00 C ATOM 25 CG GLN A 2 1.888 -12.515 -7.235 1.00 0.00 C ATOM 26 CD GLN A 2 1.067 -13.671 -7.775 1.00 0.00 C ATOM 27 OE1 GLN A 2 0.042 -14.039 -7.201 1.00 0.00 O ATOM 28 NE2 GLN A 2 1.515 -14.249 -8.883 1.00 0.00 N ATOM 0 H GLN A 2 3.273 -11.587 -3.758 1.00 0.00 H new ATOM 0 HA GLN A 2 2.352 -10.197 -6.205 1.00 0.00 H new ATOM 0 HB2 GLN A 2 1.777 -12.933 -5.140 1.00 0.00 H new ATOM 0 HB3 GLN A 2 0.408 -12.035 -5.767 1.00 0.00 H new ATOM 0 HG2 GLN A 2 1.768 -11.652 -7.890 1.00 0.00 H new ATOM 0 HG3 GLN A 2 2.944 -12.785 -7.253 1.00 0.00 H new ATOM 0 HE21 GLN A 2 2.370 -13.911 -9.325 1.00 0.00 H new ATOM 0 HE22 GLN A 2 1.004 -15.031 -9.292 1.00 0.00 H new ATOM 37 N LEU A 3 0.369 -9.185 -5.033 1.00 0.00 N ATOM 38 CA LEU A 3 -0.606 -8.400 -4.282 1.00 0.00 C ATOM 39 C LEU A 3 -2.022 -8.672 -4.778 1.00 0.00 C ATOM 40 O LEU A 3 -2.257 -8.794 -5.981 1.00 0.00 O ATOM 41 CB LEU A 3 -0.289 -6.907 -4.400 1.00 0.00 C ATOM 42 CG LEU A 3 -0.357 -6.341 -5.821 1.00 0.00 C ATOM 43 CD1 LEU A 3 -1.081 -5.003 -5.832 1.00 0.00 C ATOM 44 CD2 LEU A 3 1.041 -6.197 -6.405 1.00 0.00 C ATOM 0 H LEU A 3 0.385 -8.992 -6.034 1.00 0.00 H new ATOM 0 HA LEU A 3 -0.545 -8.696 -3.235 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -0.985 -6.352 -3.771 1.00 0.00 H new ATOM 0 HB3 LEU A 3 0.710 -6.731 -4.002 1.00 0.00 H new ATOM 0 HG LEU A 3 -0.919 -7.039 -6.441 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -1.118 -4.618 -6.851 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -2.096 -5.135 -5.457 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -0.548 -4.296 -5.196 1.00 0.00 H new ATOM 0 HD21 LEU A 3 0.973 -5.793 -7.415 1.00 0.00 H new ATOM 0 HD22 LEU A 3 1.627 -5.521 -5.783 1.00 0.00 H new ATOM 0 HD23 LEU A 3 1.525 -7.173 -6.436 1.00 0.00 H new ATOM 56 N ASN A 4 -2.962 -8.765 -3.843 1.00 0.00 N ATOM 57 CA ASN A 4 -4.355 -9.021 -4.183 1.00 0.00 C ATOM 58 C ASN A 4 -5.247 -7.877 -3.712 1.00 0.00 C ATOM 59 O ASN A 4 -5.274 -7.546 -2.527 1.00 0.00 O ATOM 60 CB ASN A 4 -4.823 -10.337 -3.557 1.00 0.00 C ATOM 61 CG ASN A 4 -6.099 -10.857 -4.190 1.00 0.00 C ATOM 62 OD1 ASN A 4 -7.200 -10.481 -3.791 1.00 0.00 O ATOM 63 ND2 ASN A 4 -5.955 -11.727 -5.182 1.00 0.00 N ATOM 0 H ASN A 4 -2.783 -8.667 -2.844 1.00 0.00 H new ATOM 0 HA ASN A 4 -4.430 -9.096 -5.268 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -4.038 -11.085 -3.662 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -4.984 -10.191 -2.489 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -6.778 -12.112 -5.646 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -5.022 -12.011 -5.480 1.00 0.00 H new ATOM 70 N ILE A 5 -5.974 -7.274 -4.647 1.00 0.00 N ATOM 71 CA ILE A 5 -6.864 -6.166 -4.326 1.00 0.00 C ATOM 72 C ILE A 5 -8.312 -6.629 -4.229 1.00 0.00 C ATOM 73 O ILE A 5 -8.783 -7.409 -5.057 1.00 0.00 O ATOM 74 CB ILE A 5 -6.770 -5.043 -5.375 1.00 0.00 C ATOM 75 CG1 ILE A 5 -5.309 -4.700 -5.666 1.00 0.00 C ATOM 76 CG2 ILE A 5 -7.526 -3.810 -4.900 1.00 0.00 C ATOM 77 CD1 ILE A 5 -5.141 -3.608 -6.700 1.00 0.00 C ATOM 0 H ILE A 5 -5.964 -7.535 -5.633 1.00 0.00 H new ATOM 0 HA ILE A 5 -6.542 -5.779 -3.359 1.00 0.00 H new ATOM 0 HB ILE A 5 -7.228 -5.394 -6.300 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -4.825 -4.390 -4.740 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -4.795 -5.597 -6.010 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -7.450 -3.025 -5.652 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -8.575 -4.064 -4.744 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -7.095 -3.458 -3.963 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -4.080 -3.416 -6.857 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -5.596 -3.923 -7.639 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -5.627 -2.697 -6.350 1.00 0.00 H new ATOM 89 N THR A 6 -9.019 -6.133 -3.220 1.00 0.00 N ATOM 90 CA THR A 6 -10.420 -6.478 -3.014 1.00 0.00 C ATOM 91 C THR A 6 -11.133 -5.335 -2.304 1.00 0.00 C ATOM 92 O THR A 6 -10.775 -4.976 -1.184 1.00 0.00 O ATOM 93 CB THR A 6 -10.536 -7.756 -2.183 1.00 0.00 C ATOM 94 OG1 THR A 6 -9.528 -8.683 -2.546 1.00 0.00 O ATOM 95 CG2 THR A 6 -11.874 -8.448 -2.334 1.00 0.00 C ATOM 0 H THR A 6 -8.641 -5.486 -2.528 1.00 0.00 H new ATOM 0 HA THR A 6 -10.886 -6.647 -3.985 1.00 0.00 H new ATOM 0 HB THR A 6 -10.425 -7.438 -1.146 1.00 0.00 H new ATOM 0 HG1 THR A 6 -9.618 -9.493 -2.002 1.00 0.00 H new ATOM 0 HG21 THR A 6 -11.890 -9.347 -1.718 1.00 0.00 H new ATOM 0 HG22 THR A 6 -12.670 -7.775 -2.014 1.00 0.00 H new ATOM 0 HG23 THR A 6 -12.027 -8.720 -3.378 1.00 0.00 H new ATOM 103 N GLY A 7 -12.132 -4.754 -2.958 1.00 0.00 N ATOM 104 CA GLY A 7 -12.851 -3.646 -2.356 1.00 0.00 C ATOM 105 C GLY A 7 -14.334 -3.909 -2.196 1.00 0.00 C ATOM 106 O GLY A 7 -14.986 -4.422 -3.105 1.00 0.00 O ATOM 0 H GLY A 7 -12.455 -5.027 -3.886 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -12.420 -3.431 -1.378 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.711 -2.756 -2.969 1.00 0.00 H new ATOM 110 N ASN A 8 -14.867 -3.539 -1.036 1.00 0.00 N ATOM 111 CA ASN A 8 -16.288 -3.716 -0.754 1.00 0.00 C ATOM 112 C ASN A 8 -17.081 -2.540 -1.310 1.00 0.00 C ATOM 113 O ASN A 8 -16.989 -1.422 -0.802 1.00 0.00 O ATOM 114 CB ASN A 8 -16.538 -3.856 0.757 1.00 0.00 C ATOM 115 CG ASN A 8 -15.611 -3.003 1.602 1.00 0.00 C ATOM 116 OD1 ASN A 8 -14.898 -2.141 1.088 1.00 0.00 O ATOM 117 ND2 ASN A 8 -15.616 -3.242 2.908 1.00 0.00 N ATOM 0 H ASN A 8 -14.336 -3.114 -0.275 1.00 0.00 H new ATOM 0 HA ASN A 8 -16.620 -4.634 -1.239 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -17.570 -3.582 0.974 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -16.419 -4.901 1.042 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -15.013 -2.701 3.528 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -16.223 -3.966 3.292 1.00 0.00 H new ATOM 124 N ASN A 9 -17.849 -2.795 -2.365 1.00 0.00 N ATOM 125 CA ASN A 9 -18.645 -1.752 -3.001 1.00 0.00 C ATOM 126 C ASN A 9 -17.738 -0.769 -3.736 1.00 0.00 C ATOM 127 O ASN A 9 -17.906 0.446 -3.634 1.00 0.00 O ATOM 128 CB ASN A 9 -19.492 -1.009 -1.963 1.00 0.00 C ATOM 129 CG ASN A 9 -20.716 -0.356 -2.573 1.00 0.00 C ATOM 130 OD1 ASN A 9 -21.208 -0.786 -3.617 1.00 0.00 O ATOM 131 ND2 ASN A 9 -21.217 0.689 -1.923 1.00 0.00 N ATOM 0 H ASN A 9 -17.937 -3.715 -2.797 1.00 0.00 H new ATOM 0 HA ASN A 9 -19.314 -2.223 -3.721 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -19.805 -1.708 -1.187 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -18.881 -0.247 -1.478 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -22.041 1.168 -2.286 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -20.778 1.012 -1.061 1.00 0.00 H new ATOM 138 N VAL A 10 -16.776 -1.310 -4.476 1.00 0.00 N ATOM 139 CA VAL A 10 -15.836 -0.491 -5.232 1.00 0.00 C ATOM 140 C VAL A 10 -15.341 -1.226 -6.473 1.00 0.00 C ATOM 141 O VAL A 10 -14.992 -2.404 -6.409 1.00 0.00 O ATOM 142 CB VAL A 10 -14.619 -0.090 -4.372 1.00 0.00 C ATOM 143 CG1 VAL A 10 -13.822 1.010 -5.054 1.00 0.00 C ATOM 144 CG2 VAL A 10 -15.063 0.345 -2.984 1.00 0.00 C ATOM 0 H VAL A 10 -16.627 -2.315 -4.568 1.00 0.00 H new ATOM 0 HA VAL A 10 -16.374 0.408 -5.533 1.00 0.00 H new ATOM 0 HB VAL A 10 -13.973 -0.961 -4.264 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -12.968 1.279 -4.433 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -13.469 0.656 -6.023 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -14.457 1.884 -5.197 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -14.190 0.624 -2.393 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -15.733 1.201 -3.068 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -15.585 -0.477 -2.495 1.00 0.00 H new ATOM 154 N GLU A 11 -15.316 -0.525 -7.601 1.00 0.00 N ATOM 155 CA GLU A 11 -14.863 -1.118 -8.856 1.00 0.00 C ATOM 156 C GLU A 11 -13.362 -0.918 -9.044 1.00 0.00 C ATOM 157 O GLU A 11 -12.865 0.208 -8.999 1.00 0.00 O ATOM 158 CB GLU A 11 -15.624 -0.506 -10.035 1.00 0.00 C ATOM 159 CG GLU A 11 -16.020 -1.523 -11.095 1.00 0.00 C ATOM 160 CD GLU A 11 -17.477 -1.410 -11.498 1.00 0.00 C ATOM 161 OE1 GLU A 11 -18.296 -0.995 -10.652 1.00 0.00 O ATOM 162 OE2 GLU A 11 -17.798 -1.734 -12.661 1.00 0.00 O ATOM 0 H GLU A 11 -15.603 0.451 -7.673 1.00 0.00 H new ATOM 0 HA GLU A 11 -15.064 -2.189 -8.817 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -16.522 -0.014 -9.661 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -15.006 0.265 -10.495 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -15.392 -1.387 -11.976 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -15.828 -2.528 -10.718 1.00 0.00 H new ATOM 169 N ILE A 12 -12.645 -2.017 -9.257 1.00 0.00 N ATOM 170 CA ILE A 12 -11.201 -1.962 -9.453 1.00 0.00 C ATOM 171 C ILE A 12 -10.858 -1.474 -10.857 1.00 0.00 C ATOM 172 O ILE A 12 -10.849 -2.253 -11.811 1.00 0.00 O ATOM 173 CB ILE A 12 -10.549 -3.341 -9.223 1.00 0.00 C ATOM 174 CG1 ILE A 12 -10.900 -3.870 -7.829 1.00 0.00 C ATOM 175 CG2 ILE A 12 -9.040 -3.258 -9.402 1.00 0.00 C ATOM 176 CD1 ILE A 12 -10.236 -3.103 -6.704 1.00 0.00 C ATOM 0 H ILE A 12 -13.041 -2.956 -9.298 1.00 0.00 H new ATOM 0 HA ILE A 12 -10.807 -1.258 -8.720 1.00 0.00 H new ATOM 0 HB ILE A 12 -10.941 -4.037 -9.965 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -11.981 -3.830 -7.696 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -10.609 -4.918 -7.764 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -8.599 -4.241 -9.235 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -8.811 -2.925 -10.414 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -8.627 -2.549 -8.685 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -10.530 -3.533 -5.747 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -9.153 -3.164 -6.812 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -10.546 -2.059 -6.743 1.00 0.00 H new ATOM 188 N THR A 13 -10.571 -0.182 -10.976 1.00 0.00 N ATOM 189 CA THR A 13 -10.221 0.408 -12.263 1.00 0.00 C ATOM 190 C THR A 13 -8.706 0.500 -12.421 1.00 0.00 C ATOM 191 O THR A 13 -7.988 0.719 -11.447 1.00 0.00 O ATOM 192 CB THR A 13 -10.845 1.798 -12.396 1.00 0.00 C ATOM 193 OG1 THR A 13 -10.562 2.587 -11.253 1.00 0.00 O ATOM 194 CG2 THR A 13 -12.348 1.766 -12.570 1.00 0.00 C ATOM 0 H THR A 13 -10.574 0.476 -10.197 1.00 0.00 H new ATOM 0 HA THR A 13 -10.614 -0.235 -13.051 1.00 0.00 H new ATOM 0 HB THR A 13 -10.401 2.228 -13.293 1.00 0.00 H new ATOM 0 HG1 THR A 13 -10.968 3.473 -11.358 1.00 0.00 H new ATOM 0 HG21 THR A 13 -12.726 2.785 -12.658 1.00 0.00 H new ATOM 0 HG22 THR A 13 -12.598 1.207 -13.472 1.00 0.00 H new ATOM 0 HG23 THR A 13 -12.804 1.283 -11.706 1.00 0.00 H new ATOM 202 N GLU A 14 -8.232 0.311 -13.654 1.00 0.00 N ATOM 203 CA GLU A 14 -6.799 0.352 -13.960 1.00 0.00 C ATOM 204 C GLU A 14 -6.046 1.347 -13.078 1.00 0.00 C ATOM 205 O GLU A 14 -5.076 0.984 -12.414 1.00 0.00 O ATOM 206 CB GLU A 14 -6.589 0.707 -15.433 1.00 0.00 C ATOM 207 CG GLU A 14 -6.719 -0.482 -16.370 1.00 0.00 C ATOM 208 CD GLU A 14 -8.070 -0.539 -17.057 1.00 0.00 C ATOM 209 OE1 GLU A 14 -8.588 0.532 -17.440 1.00 0.00 O ATOM 210 OE2 GLU A 14 -8.611 -1.654 -17.209 1.00 0.00 O ATOM 0 H GLU A 14 -8.825 0.127 -14.463 1.00 0.00 H new ATOM 0 HA GLU A 14 -6.396 -0.640 -13.755 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -7.315 1.467 -15.722 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.600 1.148 -15.554 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.934 -0.433 -17.124 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.563 -1.402 -15.807 1.00 0.00 H new ATOM 217 N ALA A 15 -6.489 2.600 -13.075 1.00 0.00 N ATOM 218 CA ALA A 15 -5.845 3.633 -12.271 1.00 0.00 C ATOM 219 C ALA A 15 -5.790 3.232 -10.799 1.00 0.00 C ATOM 220 O ALA A 15 -4.753 3.357 -10.150 1.00 0.00 O ATOM 221 CB ALA A 15 -6.575 4.958 -12.432 1.00 0.00 C ATOM 0 H ALA A 15 -7.289 2.924 -13.618 1.00 0.00 H new ATOM 0 HA ALA A 15 -4.821 3.748 -12.626 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -6.084 5.720 -11.827 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -6.556 5.259 -13.479 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -7.609 4.846 -12.105 1.00 0.00 H new ATOM 227 N LEU A 16 -6.915 2.747 -10.284 1.00 0.00 N ATOM 228 CA LEU A 16 -7.001 2.325 -8.890 1.00 0.00 C ATOM 229 C LEU A 16 -5.934 1.281 -8.568 1.00 0.00 C ATOM 230 O LEU A 16 -5.005 1.542 -7.802 1.00 0.00 O ATOM 231 CB LEU A 16 -8.394 1.755 -8.597 1.00 0.00 C ATOM 232 CG LEU A 16 -8.931 2.038 -7.194 1.00 0.00 C ATOM 233 CD1 LEU A 16 -7.966 1.522 -6.138 1.00 0.00 C ATOM 234 CD2 LEU A 16 -9.182 3.529 -7.009 1.00 0.00 C ATOM 0 H LEU A 16 -7.781 2.636 -10.812 1.00 0.00 H new ATOM 0 HA LEU A 16 -6.829 3.198 -8.260 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -9.096 2.161 -9.326 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -8.366 0.676 -8.747 1.00 0.00 H new ATOM 0 HG LEU A 16 -9.879 1.513 -7.076 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -8.366 1.733 -5.146 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -7.838 0.446 -6.257 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -7.002 2.017 -6.253 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -9.564 3.712 -6.005 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -8.249 4.075 -7.147 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -9.913 3.869 -7.743 1.00 0.00 H new ATOM 246 N ARG A 17 -6.079 0.100 -9.157 1.00 0.00 N ATOM 247 CA ARG A 17 -5.130 -0.987 -8.935 1.00 0.00 C ATOM 248 C ARG A 17 -3.710 -0.549 -9.287 1.00 0.00 C ATOM 249 O ARG A 17 -2.753 -0.895 -8.594 1.00 0.00 O ATOM 250 CB ARG A 17 -5.524 -2.220 -9.752 1.00 0.00 C ATOM 251 CG ARG A 17 -5.672 -1.950 -11.241 1.00 0.00 C ATOM 252 CD ARG A 17 -4.516 -2.541 -12.035 1.00 0.00 C ATOM 253 NE ARG A 17 -4.223 -1.765 -13.237 1.00 0.00 N ATOM 254 CZ ARG A 17 -3.609 -2.259 -14.310 1.00 0.00 C ATOM 255 NH1 ARG A 17 -3.215 -3.528 -14.334 1.00 0.00 N ATOM 256 NH2 ARG A 17 -3.385 -1.484 -15.362 1.00 0.00 N ATOM 0 H ARG A 17 -6.844 -0.130 -9.792 1.00 0.00 H new ATOM 0 HA ARG A 17 -5.156 -1.248 -7.877 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -4.772 -2.996 -9.606 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -6.466 -2.612 -9.368 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -6.612 -2.373 -11.596 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -5.721 -0.875 -11.413 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -3.627 -2.582 -11.405 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -4.756 -3.567 -12.315 1.00 0.00 H new ATOM 0 HE ARG A 17 -4.506 -0.785 -13.256 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -3.383 -4.129 -13.527 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -2.745 -3.901 -15.159 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -3.683 -0.509 -15.350 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -2.915 -1.863 -16.184 1.00 0.00 H new ATOM 270 N GLU A 18 -3.581 0.206 -10.373 1.00 0.00 N ATOM 271 CA GLU A 18 -2.279 0.687 -10.828 1.00 0.00 C ATOM 272 C GLU A 18 -1.623 1.595 -9.789 1.00 0.00 C ATOM 273 O GLU A 18 -0.472 1.383 -9.408 1.00 0.00 O ATOM 274 CB GLU A 18 -2.428 1.437 -12.152 1.00 0.00 C ATOM 275 CG GLU A 18 -1.115 1.966 -12.707 1.00 0.00 C ATOM 276 CD GLU A 18 -1.248 3.359 -13.291 1.00 0.00 C ATOM 277 OE1 GLU A 18 -1.548 3.470 -14.498 1.00 0.00 O ATOM 278 OE2 GLU A 18 -1.053 4.339 -12.542 1.00 0.00 O ATOM 0 H GLU A 18 -4.364 0.499 -10.957 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.636 -0.181 -10.972 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -2.881 0.772 -12.887 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.115 2.271 -12.011 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.368 1.979 -11.913 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.750 1.286 -13.477 1.00 0.00 H new ATOM 285 N PHE A 19 -2.352 2.615 -9.345 1.00 0.00 N ATOM 286 CA PHE A 19 -1.821 3.558 -8.364 1.00 0.00 C ATOM 287 C PHE A 19 -1.388 2.841 -7.085 1.00 0.00 C ATOM 288 O PHE A 19 -0.307 3.103 -6.558 1.00 0.00 O ATOM 289 CB PHE A 19 -2.851 4.667 -8.075 1.00 0.00 C ATOM 290 CG PHE A 19 -3.707 4.458 -6.853 1.00 0.00 C ATOM 291 CD1 PHE A 19 -3.167 4.531 -5.579 1.00 0.00 C ATOM 292 CD2 PHE A 19 -5.056 4.202 -6.990 1.00 0.00 C ATOM 293 CE1 PHE A 19 -3.965 4.351 -4.464 1.00 0.00 C ATOM 294 CE2 PHE A 19 -5.860 4.018 -5.883 1.00 0.00 C ATOM 295 CZ PHE A 19 -5.313 4.093 -4.617 1.00 0.00 C ATOM 0 H PHE A 19 -3.307 2.810 -9.646 1.00 0.00 H new ATOM 0 HA PHE A 19 -0.931 4.027 -8.783 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.319 5.612 -7.967 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -3.504 4.766 -8.942 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -2.113 4.730 -5.456 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -5.489 4.145 -7.978 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -3.535 4.412 -3.475 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -6.914 3.816 -6.007 1.00 0.00 H new ATOM 0 HZ PHE A 19 -5.938 3.950 -3.748 1.00 0.00 H new ATOM 305 N VAL A 20 -2.224 1.931 -6.597 1.00 0.00 N ATOM 306 CA VAL A 20 -1.903 1.180 -5.386 1.00 0.00 C ATOM 307 C VAL A 20 -0.621 0.376 -5.581 1.00 0.00 C ATOM 308 O VAL A 20 0.293 0.428 -4.756 1.00 0.00 O ATOM 309 CB VAL A 20 -3.043 0.220 -4.985 1.00 0.00 C ATOM 310 CG1 VAL A 20 -2.842 -0.280 -3.564 1.00 0.00 C ATOM 311 CG2 VAL A 20 -4.398 0.901 -5.134 1.00 0.00 C ATOM 0 H VAL A 20 -3.123 1.696 -7.017 1.00 0.00 H new ATOM 0 HA VAL A 20 -1.767 1.908 -4.586 1.00 0.00 H new ATOM 0 HB VAL A 20 -3.022 -0.639 -5.655 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.655 -0.956 -3.298 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -1.892 -0.810 -3.496 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.835 0.567 -2.878 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -5.188 0.207 -4.846 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -4.436 1.780 -4.491 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -4.541 1.203 -6.171 1.00 0.00 H new ATOM 321 N THR A 21 -0.559 -0.360 -6.687 1.00 0.00 N ATOM 322 CA THR A 21 0.614 -1.164 -7.002 1.00 0.00 C ATOM 323 C THR A 21 1.837 -0.269 -7.179 1.00 0.00 C ATOM 324 O THR A 21 2.964 -0.679 -6.905 1.00 0.00 O ATOM 325 CB THR A 21 0.374 -1.982 -8.271 1.00 0.00 C ATOM 326 OG1 THR A 21 -0.824 -2.731 -8.165 1.00 0.00 O ATOM 327 CG2 THR A 21 1.495 -2.952 -8.579 1.00 0.00 C ATOM 0 H THR A 21 -1.307 -0.415 -7.378 1.00 0.00 H new ATOM 0 HA THR A 21 0.796 -1.849 -6.174 1.00 0.00 H new ATOM 0 HB THR A 21 0.314 -1.252 -9.078 1.00 0.00 H new ATOM 0 HG1 THR A 21 -1.587 -2.163 -8.400 1.00 0.00 H new ATOM 0 HG21 THR A 21 1.261 -3.500 -9.492 1.00 0.00 H new ATOM 0 HG22 THR A 21 2.426 -2.401 -8.715 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.606 -3.654 -7.752 1.00 0.00 H new ATOM 335 N ALA A 22 1.599 0.958 -7.636 1.00 0.00 N ATOM 336 CA ALA A 22 2.676 1.919 -7.844 1.00 0.00 C ATOM 337 C ALA A 22 3.502 2.088 -6.574 1.00 0.00 C ATOM 338 O ALA A 22 4.732 2.111 -6.618 1.00 0.00 O ATOM 339 CB ALA A 22 2.109 3.258 -8.294 1.00 0.00 C ATOM 0 H ALA A 22 0.670 1.309 -7.869 1.00 0.00 H new ATOM 0 HA ALA A 22 3.331 1.537 -8.627 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.924 3.966 -8.445 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.564 3.127 -9.229 1.00 0.00 H new ATOM 0 HB3 ALA A 22 1.432 3.642 -7.530 1.00 0.00 H new ATOM 345 N LYS A 23 2.815 2.199 -5.441 1.00 0.00 N ATOM 346 CA LYS A 23 3.484 2.356 -4.156 1.00 0.00 C ATOM 347 C LYS A 23 4.188 1.066 -3.758 1.00 0.00 C ATOM 348 O LYS A 23 5.388 1.058 -3.487 1.00 0.00 O ATOM 349 CB LYS A 23 2.481 2.747 -3.070 1.00 0.00 C ATOM 350 CG LYS A 23 1.916 4.151 -3.224 1.00 0.00 C ATOM 351 CD LYS A 23 2.998 5.211 -3.097 1.00 0.00 C ATOM 352 CE LYS A 23 2.883 6.260 -4.191 1.00 0.00 C ATOM 353 NZ LYS A 23 3.858 7.369 -4.003 1.00 0.00 N ATOM 0 H LYS A 23 1.797 2.183 -5.388 1.00 0.00 H new ATOM 0 HA LYS A 23 4.224 3.149 -4.258 1.00 0.00 H new ATOM 0 HB2 LYS A 23 1.658 2.033 -3.076 1.00 0.00 H new ATOM 0 HB3 LYS A 23 2.965 2.666 -2.097 1.00 0.00 H new ATOM 0 HG2 LYS A 23 1.429 4.243 -4.195 1.00 0.00 H new ATOM 0 HG3 LYS A 23 1.151 4.320 -2.467 1.00 0.00 H new ATOM 0 HD2 LYS A 23 2.925 5.692 -2.122 1.00 0.00 H new ATOM 0 HD3 LYS A 23 3.979 4.738 -3.147 1.00 0.00 H new ATOM 0 HE2 LYS A 23 3.049 5.792 -5.161 1.00 0.00 H new ATOM 0 HE3 LYS A 23 1.871 6.664 -4.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 3.747 8.063 -4.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 3.684 7.833 -3.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 4.825 6.987 -4.019 1.00 0.00 H new ATOM 367 N PHE A 24 3.429 -0.028 -3.725 1.00 0.00 N ATOM 368 CA PHE A 24 3.977 -1.331 -3.358 1.00 0.00 C ATOM 369 C PHE A 24 5.262 -1.622 -4.128 1.00 0.00 C ATOM 370 O PHE A 24 6.289 -1.961 -3.537 1.00 0.00 O ATOM 371 CB PHE A 24 2.949 -2.433 -3.623 1.00 0.00 C ATOM 372 CG PHE A 24 2.166 -2.828 -2.403 1.00 0.00 C ATOM 373 CD1 PHE A 24 1.033 -2.124 -2.031 1.00 0.00 C ATOM 374 CD2 PHE A 24 2.566 -3.905 -1.627 1.00 0.00 C ATOM 375 CE1 PHE A 24 0.311 -2.487 -0.910 1.00 0.00 C ATOM 376 CE2 PHE A 24 1.849 -4.272 -0.504 1.00 0.00 C ATOM 377 CZ PHE A 24 0.719 -3.561 -0.145 1.00 0.00 C ATOM 0 H PHE A 24 2.434 -0.037 -3.948 1.00 0.00 H new ATOM 0 HA PHE A 24 4.212 -1.310 -2.294 1.00 0.00 H new ATOM 0 HB2 PHE A 24 2.258 -2.096 -4.395 1.00 0.00 H new ATOM 0 HB3 PHE A 24 3.462 -3.311 -4.016 1.00 0.00 H new ATOM 0 HD1 PHE A 24 0.710 -1.281 -2.624 1.00 0.00 H new ATOM 0 HD2 PHE A 24 3.448 -4.464 -1.903 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -0.572 -1.931 -0.633 1.00 0.00 H new ATOM 0 HE2 PHE A 24 2.171 -5.113 0.092 1.00 0.00 H new ATOM 0 HZ PHE A 24 0.157 -3.845 0.732 1.00 0.00 H new ATOM 387 N ALA A 25 5.202 -1.486 -5.449 1.00 0.00 N ATOM 388 CA ALA A 25 6.364 -1.731 -6.300 1.00 0.00 C ATOM 389 C ALA A 25 7.579 -0.958 -5.798 1.00 0.00 C ATOM 390 O ALA A 25 8.652 -1.529 -5.600 1.00 0.00 O ATOM 391 CB ALA A 25 6.053 -1.352 -7.738 1.00 0.00 C ATOM 0 H ALA A 25 4.361 -1.207 -5.955 1.00 0.00 H new ATOM 0 HA ALA A 25 6.598 -2.795 -6.260 1.00 0.00 H new ATOM 0 HB1 ALA A 25 6.928 -1.540 -8.361 1.00 0.00 H new ATOM 0 HB2 ALA A 25 5.216 -1.949 -8.099 1.00 0.00 H new ATOM 0 HB3 ALA A 25 5.792 -0.295 -7.787 1.00 0.00 H new ATOM 397 N LYS A 26 7.402 0.342 -5.588 1.00 0.00 N ATOM 398 CA LYS A 26 8.483 1.194 -5.105 1.00 0.00 C ATOM 399 C LYS A 26 9.034 0.674 -3.780 1.00 0.00 C ATOM 400 O LYS A 26 10.199 0.900 -3.451 1.00 0.00 O ATOM 401 CB LYS A 26 7.990 2.632 -4.936 1.00 0.00 C ATOM 402 CG LYS A 26 9.060 3.677 -5.201 1.00 0.00 C ATOM 403 CD LYS A 26 9.467 4.397 -3.923 1.00 0.00 C ATOM 404 CE LYS A 26 8.336 5.259 -3.387 1.00 0.00 C ATOM 405 NZ LYS A 26 8.610 5.737 -2.003 1.00 0.00 N ATOM 0 H LYS A 26 6.520 0.829 -5.745 1.00 0.00 H new ATOM 0 HA LYS A 26 9.284 1.176 -5.844 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.153 2.802 -5.613 1.00 0.00 H new ATOM 0 HB3 LYS A 26 7.612 2.761 -3.922 1.00 0.00 H new ATOM 0 HG2 LYS A 26 9.934 3.200 -5.645 1.00 0.00 H new ATOM 0 HG3 LYS A 26 8.690 4.402 -5.926 1.00 0.00 H new ATOM 0 HD2 LYS A 26 9.758 3.666 -3.169 1.00 0.00 H new ATOM 0 HD3 LYS A 26 10.340 5.020 -4.117 1.00 0.00 H new ATOM 0 HE2 LYS A 26 8.190 6.116 -4.045 1.00 0.00 H new ATOM 0 HE3 LYS A 26 7.408 4.687 -3.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 7.815 6.321 -1.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 8.725 4.920 -1.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 9.482 6.304 -1.998 1.00 0.00 H new ATOM 419 N LEU A 27 8.192 -0.029 -3.028 1.00 0.00 N ATOM 420 CA LEU A 27 8.599 -0.586 -1.743 1.00 0.00 C ATOM 421 C LEU A 27 9.344 -1.902 -1.938 1.00 0.00 C ATOM 422 O LEU A 27 10.206 -2.268 -1.139 1.00 0.00 O ATOM 423 CB LEU A 27 7.379 -0.807 -0.847 1.00 0.00 C ATOM 424 CG LEU A 27 6.934 0.415 -0.042 1.00 0.00 C ATOM 425 CD1 LEU A 27 6.340 1.473 -0.959 1.00 0.00 C ATOM 426 CD2 LEU A 27 5.932 0.012 1.029 1.00 0.00 C ATOM 0 H LEU A 27 7.225 -0.226 -3.286 1.00 0.00 H new ATOM 0 HA LEU A 27 9.269 0.126 -1.261 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.546 -1.136 -1.469 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.599 -1.619 -0.154 1.00 0.00 H new ATOM 0 HG LEU A 27 7.810 0.840 0.449 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.029 2.334 -0.368 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.088 1.784 -1.688 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.476 1.060 -1.480 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.627 0.894 1.592 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.058 -0.439 0.559 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.392 -0.708 1.705 1.00 0.00 H new ATOM 438 N GLU A 28 9.006 -2.607 -3.013 1.00 0.00 N ATOM 439 CA GLU A 28 9.633 -3.885 -3.334 1.00 0.00 C ATOM 440 C GLU A 28 11.134 -3.730 -3.579 1.00 0.00 C ATOM 441 O GLU A 28 11.866 -4.719 -3.612 1.00 0.00 O ATOM 442 CB GLU A 28 8.970 -4.503 -4.567 1.00 0.00 C ATOM 443 CG GLU A 28 9.354 -5.955 -4.799 1.00 0.00 C ATOM 444 CD GLU A 28 8.166 -6.820 -5.175 1.00 0.00 C ATOM 445 OE1 GLU A 28 7.403 -7.210 -4.266 1.00 0.00 O ATOM 446 OE2 GLU A 28 8.000 -7.109 -6.379 1.00 0.00 O ATOM 0 H GLU A 28 8.295 -2.312 -3.682 1.00 0.00 H new ATOM 0 HA GLU A 28 9.496 -4.544 -2.477 1.00 0.00 H new ATOM 0 HB2 GLU A 28 7.887 -4.435 -4.460 1.00 0.00 H new ATOM 0 HB3 GLU A 28 9.241 -3.919 -5.446 1.00 0.00 H new ATOM 0 HG2 GLU A 28 10.102 -6.007 -5.591 1.00 0.00 H new ATOM 0 HG3 GLU A 28 9.817 -6.353 -3.896 1.00 0.00 H new ATOM 453 N GLN A 29 11.591 -2.490 -3.748 1.00 0.00 N ATOM 454 CA GLN A 29 13.005 -2.226 -3.988 1.00 0.00 C ATOM 455 C GLN A 29 13.839 -2.503 -2.740 1.00 0.00 C ATOM 456 O GLN A 29 14.765 -3.312 -2.770 1.00 0.00 O ATOM 457 CB GLN A 29 13.204 -0.778 -4.437 1.00 0.00 C ATOM 458 CG GLN A 29 14.623 -0.471 -4.887 1.00 0.00 C ATOM 459 CD GLN A 29 14.669 0.248 -6.223 1.00 0.00 C ATOM 460 OE1 GLN A 29 14.209 1.383 -6.346 1.00 0.00 O ATOM 461 NE2 GLN A 29 15.227 -0.412 -7.231 1.00 0.00 N ATOM 0 H GLN A 29 11.003 -1.657 -3.723 1.00 0.00 H new ATOM 0 HA GLN A 29 13.341 -2.897 -4.778 1.00 0.00 H new ATOM 0 HB2 GLN A 29 12.517 -0.562 -5.256 1.00 0.00 H new ATOM 0 HB3 GLN A 29 12.940 -0.112 -3.616 1.00 0.00 H new ATOM 0 HG2 GLN A 29 15.115 0.142 -4.132 1.00 0.00 H new ATOM 0 HG3 GLN A 29 15.186 -1.401 -4.960 1.00 0.00 H new ATOM 0 HE21 GLN A 29 15.596 -1.352 -7.084 1.00 0.00 H new ATOM 0 HE22 GLN A 29 15.287 0.021 -8.153 1.00 0.00 H new ATOM 470 N TYR A 30 13.511 -1.820 -1.645 1.00 0.00 N ATOM 471 CA TYR A 30 14.243 -1.996 -0.392 1.00 0.00 C ATOM 472 C TYR A 30 13.622 -3.087 0.480 1.00 0.00 C ATOM 473 O TYR A 30 14.228 -3.522 1.459 1.00 0.00 O ATOM 474 CB TYR A 30 14.319 -0.677 0.386 1.00 0.00 C ATOM 475 CG TYR A 30 13.045 0.139 0.360 1.00 0.00 C ATOM 476 CD1 TYR A 30 11.826 -0.428 0.705 1.00 0.00 C ATOM 477 CD2 TYR A 30 13.066 1.480 -0.003 1.00 0.00 C ATOM 478 CE1 TYR A 30 10.662 0.317 0.689 1.00 0.00 C ATOM 479 CE2 TYR A 30 11.907 2.231 -0.023 1.00 0.00 C ATOM 480 CZ TYR A 30 10.708 1.646 0.323 1.00 0.00 C ATOM 481 OH TYR A 30 9.552 2.392 0.307 1.00 0.00 O ATOM 0 H TYR A 30 12.749 -1.144 -1.599 1.00 0.00 H new ATOM 0 HA TYR A 30 15.254 -2.311 -0.652 1.00 0.00 H new ATOM 0 HB2 TYR A 30 14.575 -0.895 1.423 1.00 0.00 H new ATOM 0 HB3 TYR A 30 15.130 -0.075 -0.023 1.00 0.00 H new ATOM 0 HD1 TYR A 30 11.786 -1.469 0.991 1.00 0.00 H new ATOM 0 HD2 TYR A 30 14.004 1.943 -0.274 1.00 0.00 H new ATOM 0 HE1 TYR A 30 9.722 -0.139 0.962 1.00 0.00 H new ATOM 0 HE2 TYR A 30 11.940 3.272 -0.309 1.00 0.00 H new ATOM 0 HH TYR A 30 9.758 3.309 0.028 1.00 0.00 H new ATOM 491 N PHE A 31 12.421 -3.535 0.125 1.00 0.00 N ATOM 492 CA PHE A 31 11.745 -4.583 0.886 1.00 0.00 C ATOM 493 C PHE A 31 11.775 -5.907 0.131 1.00 0.00 C ATOM 494 O PHE A 31 11.254 -6.011 -0.980 1.00 0.00 O ATOM 495 CB PHE A 31 10.295 -4.189 1.187 1.00 0.00 C ATOM 496 CG PHE A 31 10.148 -3.027 2.134 1.00 0.00 C ATOM 497 CD1 PHE A 31 11.168 -2.683 3.011 1.00 0.00 C ATOM 498 CD2 PHE A 31 8.982 -2.278 2.145 1.00 0.00 C ATOM 499 CE1 PHE A 31 11.025 -1.616 3.879 1.00 0.00 C ATOM 500 CE2 PHE A 31 8.834 -1.210 3.011 1.00 0.00 C ATOM 501 CZ PHE A 31 9.857 -0.880 3.879 1.00 0.00 C ATOM 0 H PHE A 31 11.898 -3.191 -0.680 1.00 0.00 H new ATOM 0 HA PHE A 31 12.278 -4.705 1.829 1.00 0.00 H new ATOM 0 HB2 PHE A 31 9.796 -3.943 0.249 1.00 0.00 H new ATOM 0 HB3 PHE A 31 9.777 -5.051 1.607 1.00 0.00 H new ATOM 0 HD1 PHE A 31 12.084 -3.255 3.015 1.00 0.00 H new ATOM 0 HD2 PHE A 31 8.179 -2.532 1.469 1.00 0.00 H new ATOM 0 HE1 PHE A 31 11.826 -1.359 4.556 1.00 0.00 H new ATOM 0 HE2 PHE A 31 7.920 -0.635 3.009 1.00 0.00 H new ATOM 0 HZ PHE A 31 9.743 -0.047 4.557 1.00 0.00 H new ATOM 511 N ASP A 32 12.387 -6.915 0.740 1.00 0.00 N ATOM 512 CA ASP A 32 12.483 -8.235 0.127 1.00 0.00 C ATOM 513 C ASP A 32 11.570 -9.236 0.830 1.00 0.00 C ATOM 514 O ASP A 32 11.162 -10.236 0.241 1.00 0.00 O ATOM 515 CB ASP A 32 13.931 -8.733 0.163 1.00 0.00 C ATOM 516 CG ASP A 32 14.512 -8.718 1.564 1.00 0.00 C ATOM 517 OD1 ASP A 32 14.560 -7.630 2.175 1.00 0.00 O ATOM 518 OD2 ASP A 32 14.917 -9.794 2.050 1.00 0.00 O ATOM 0 H ASP A 32 12.825 -6.844 1.659 1.00 0.00 H new ATOM 0 HA ASP A 32 12.160 -8.148 -0.910 1.00 0.00 H new ATOM 0 HB2 ASP A 32 13.974 -9.747 -0.234 1.00 0.00 H new ATOM 0 HB3 ASP A 32 14.543 -8.109 -0.488 1.00 0.00 H new ATOM 523 N ARG A 33 11.254 -8.959 2.092 1.00 0.00 N ATOM 524 CA ARG A 33 10.387 -9.838 2.870 1.00 0.00 C ATOM 525 C ARG A 33 8.923 -9.615 2.507 1.00 0.00 C ATOM 526 O ARG A 33 8.162 -9.032 3.282 1.00 0.00 O ATOM 527 CB ARG A 33 10.596 -9.602 4.368 1.00 0.00 C ATOM 528 CG ARG A 33 12.057 -9.495 4.771 1.00 0.00 C ATOM 529 CD ARG A 33 12.729 -10.858 4.807 1.00 0.00 C ATOM 530 NE ARG A 33 12.844 -11.378 6.168 1.00 0.00 N ATOM 531 CZ ARG A 33 13.695 -12.337 6.525 1.00 0.00 C ATOM 532 NH1 ARG A 33 14.506 -12.884 5.628 1.00 0.00 N ATOM 533 NH2 ARG A 33 13.736 -12.750 7.785 1.00 0.00 N ATOM 0 H ARG A 33 11.584 -8.136 2.596 1.00 0.00 H new ATOM 0 HA ARG A 33 10.649 -10.869 2.633 1.00 0.00 H new ATOM 0 HB2 ARG A 33 10.080 -8.687 4.658 1.00 0.00 H new ATOM 0 HB3 ARG A 33 10.134 -10.418 4.923 1.00 0.00 H new ATOM 0 HG2 ARG A 33 12.582 -8.848 4.068 1.00 0.00 H new ATOM 0 HG3 ARG A 33 12.131 -9.026 5.752 1.00 0.00 H new ATOM 0 HD2 ARG A 33 12.158 -11.559 4.198 1.00 0.00 H new ATOM 0 HD3 ARG A 33 13.721 -10.784 4.362 1.00 0.00 H new ATOM 0 HE ARG A 33 12.237 -10.983 6.886 1.00 0.00 H new ATOM 0 HH11 ARG A 33 14.480 -12.570 4.658 1.00 0.00 H new ATOM 0 HH12 ARG A 33 15.156 -13.619 5.909 1.00 0.00 H new ATOM 0 HH21 ARG A 33 13.116 -12.333 8.479 1.00 0.00 H new ATOM 0 HH22 ARG A 33 14.388 -13.485 8.060 1.00 0.00 H new ATOM 547 N ILE A 34 8.533 -10.084 1.327 1.00 0.00 N ATOM 548 CA ILE A 34 7.158 -9.936 0.865 1.00 0.00 C ATOM 549 C ILE A 34 6.704 -11.170 0.091 1.00 0.00 C ATOM 550 O ILE A 34 7.331 -11.563 -0.894 1.00 0.00 O ATOM 551 CB ILE A 34 6.998 -8.695 -0.033 1.00 0.00 C ATOM 552 CG1 ILE A 34 7.634 -7.474 0.631 1.00 0.00 C ATOM 553 CG2 ILE A 34 5.527 -8.439 -0.326 1.00 0.00 C ATOM 554 CD1 ILE A 34 7.673 -6.252 -0.263 1.00 0.00 C ATOM 0 H ILE A 34 9.148 -10.569 0.674 1.00 0.00 H new ATOM 0 HA ILE A 34 6.537 -9.816 1.752 1.00 0.00 H new ATOM 0 HB ILE A 34 7.510 -8.880 -0.978 1.00 0.00 H new ATOM 0 HG12 ILE A 34 7.079 -7.233 1.538 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.650 -7.724 0.936 1.00 0.00 H new ATOM 0 HG21 ILE A 34 5.430 -7.559 -0.962 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.102 -9.303 -0.836 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.993 -8.271 0.610 1.00 0.00 H new ATOM 0 HD11 ILE A 34 8.137 -5.424 0.273 1.00 0.00 H new ATOM 0 HD12 ILE A 34 8.253 -6.475 -1.159 1.00 0.00 H new ATOM 0 HD13 ILE A 34 6.657 -5.977 -0.547 1.00 0.00 H new ATOM 566 N ASN A 35 5.612 -11.778 0.543 1.00 0.00 N ATOM 567 CA ASN A 35 5.075 -12.969 -0.108 1.00 0.00 C ATOM 568 C ASN A 35 3.659 -12.722 -0.622 1.00 0.00 C ATOM 569 O ASN A 35 3.418 -12.733 -1.830 1.00 0.00 O ATOM 570 CB ASN A 35 5.082 -14.160 0.858 1.00 0.00 C ATOM 571 CG ASN A 35 4.801 -13.756 2.293 1.00 0.00 C ATOM 572 OD1 ASN A 35 3.658 -13.791 2.748 1.00 0.00 O ATOM 573 ND2 ASN A 35 5.847 -13.371 3.014 1.00 0.00 N ATOM 0 H ASN A 35 5.082 -11.466 1.357 1.00 0.00 H new ATOM 0 HA ASN A 35 5.715 -13.201 -0.960 1.00 0.00 H new ATOM 0 HB2 ASN A 35 4.335 -14.886 0.537 1.00 0.00 H new ATOM 0 HB3 ASN A 35 6.051 -14.656 0.808 1.00 0.00 H new ATOM 0 HD21 ASN A 35 5.720 -13.089 3.986 1.00 0.00 H new ATOM 0 HD22 ASN A 35 6.777 -13.357 2.596 1.00 0.00 H new ATOM 580 N GLN A 36 2.727 -12.500 0.299 1.00 0.00 N ATOM 581 CA GLN A 36 1.337 -12.253 -0.066 1.00 0.00 C ATOM 582 C GLN A 36 0.810 -10.992 0.611 1.00 0.00 C ATOM 583 O GLN A 36 0.805 -10.890 1.838 1.00 0.00 O ATOM 584 CB GLN A 36 0.466 -13.450 0.316 1.00 0.00 C ATOM 585 CG GLN A 36 -0.975 -13.331 -0.152 1.00 0.00 C ATOM 586 CD GLN A 36 -1.189 -13.919 -1.534 1.00 0.00 C ATOM 587 OE1 GLN A 36 -0.995 -13.245 -2.545 1.00 0.00 O ATOM 588 NE2 GLN A 36 -1.593 -15.183 -1.583 1.00 0.00 N ATOM 0 H GLN A 36 2.909 -12.486 1.303 1.00 0.00 H new ATOM 0 HA GLN A 36 1.294 -12.109 -1.146 1.00 0.00 H new ATOM 0 HB2 GLN A 36 0.902 -14.355 -0.106 1.00 0.00 H new ATOM 0 HB3 GLN A 36 0.478 -13.566 1.400 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -1.627 -13.837 0.559 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -1.265 -12.280 -0.159 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -1.741 -15.705 -0.719 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -1.755 -15.632 -2.484 1.00 0.00 H new ATOM 597 N VAL A 37 0.366 -10.033 -0.197 1.00 0.00 N ATOM 598 CA VAL A 37 -0.163 -8.779 0.324 1.00 0.00 C ATOM 599 C VAL A 37 -1.568 -8.515 -0.206 1.00 0.00 C ATOM 600 O VAL A 37 -1.841 -8.705 -1.391 1.00 0.00 O ATOM 601 CB VAL A 37 0.742 -7.580 -0.035 1.00 0.00 C ATOM 602 CG1 VAL A 37 1.821 -7.395 1.019 1.00 0.00 C ATOM 603 CG2 VAL A 37 1.361 -7.752 -1.416 1.00 0.00 C ATOM 0 H VAL A 37 0.363 -10.102 -1.215 1.00 0.00 H new ATOM 0 HA VAL A 37 -0.195 -8.882 1.409 1.00 0.00 H new ATOM 0 HB VAL A 37 0.122 -6.684 -0.058 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.450 -6.546 0.751 1.00 0.00 H new ATOM 0 HG12 VAL A 37 1.356 -7.210 1.987 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.432 -8.296 1.076 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.993 -6.893 -1.641 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.964 -8.660 -1.434 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.570 -7.826 -2.162 1.00 0.00 H new ATOM 613 N TYR A 38 -2.457 -8.076 0.681 1.00 0.00 N ATOM 614 CA TYR A 38 -3.836 -7.788 0.302 1.00 0.00 C ATOM 615 C TYR A 38 -4.294 -6.450 0.872 1.00 0.00 C ATOM 616 O TYR A 38 -3.846 -6.030 1.939 1.00 0.00 O ATOM 617 CB TYR A 38 -4.772 -8.905 0.777 1.00 0.00 C ATOM 618 CG TYR A 38 -4.373 -9.518 2.103 1.00 0.00 C ATOM 619 CD1 TYR A 38 -3.259 -10.342 2.201 1.00 0.00 C ATOM 620 CD2 TYR A 38 -5.112 -9.271 3.253 1.00 0.00 C ATOM 621 CE1 TYR A 38 -2.894 -10.905 3.408 1.00 0.00 C ATOM 622 CE2 TYR A 38 -4.751 -9.831 4.465 1.00 0.00 C ATOM 623 CZ TYR A 38 -3.642 -10.646 4.537 1.00 0.00 C ATOM 624 OH TYR A 38 -3.280 -11.205 5.742 1.00 0.00 O ATOM 0 H TYR A 38 -2.247 -7.912 1.666 1.00 0.00 H new ATOM 0 HA TYR A 38 -3.875 -7.732 -0.786 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -5.783 -8.507 0.862 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -4.800 -9.688 0.020 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -2.669 -10.546 1.319 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -5.981 -8.632 3.200 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -2.026 -11.545 3.467 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -5.335 -9.631 5.351 1.00 0.00 H new ATOM 0 HH TYR A 38 -2.389 -11.606 5.662 1.00 0.00 H new ATOM 634 N VAL A 39 -5.187 -5.784 0.148 1.00 0.00 N ATOM 635 CA VAL A 39 -5.712 -4.492 0.572 1.00 0.00 C ATOM 636 C VAL A 39 -7.213 -4.402 0.319 1.00 0.00 C ATOM 637 O VAL A 39 -7.721 -4.955 -0.657 1.00 0.00 O ATOM 638 CB VAL A 39 -5.008 -3.332 -0.161 1.00 0.00 C ATOM 639 CG1 VAL A 39 -5.352 -1.999 0.487 1.00 0.00 C ATOM 640 CG2 VAL A 39 -3.503 -3.548 -0.182 1.00 0.00 C ATOM 0 H VAL A 39 -5.563 -6.120 -0.739 1.00 0.00 H new ATOM 0 HA VAL A 39 -5.520 -4.406 1.641 1.00 0.00 H new ATOM 0 HB VAL A 39 -5.365 -3.311 -1.191 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -4.845 -1.194 -0.045 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -6.430 -1.841 0.444 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -5.028 -2.006 1.528 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.024 -2.719 -0.703 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -3.128 -3.599 0.840 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.276 -4.481 -0.698 1.00 0.00 H new ATOM 650 N VAL A 40 -7.919 -3.699 1.200 1.00 0.00 N ATOM 651 CA VAL A 40 -9.363 -3.536 1.064 1.00 0.00 C ATOM 652 C VAL A 40 -9.792 -2.126 1.432 1.00 0.00 C ATOM 653 O VAL A 40 -9.369 -1.577 2.448 1.00 0.00 O ATOM 654 CB VAL A 40 -10.133 -4.547 1.934 1.00 0.00 C ATOM 655 CG1 VAL A 40 -11.622 -4.491 1.631 1.00 0.00 C ATOM 656 CG2 VAL A 40 -9.591 -5.953 1.724 1.00 0.00 C ATOM 0 H VAL A 40 -7.516 -3.234 2.014 1.00 0.00 H new ATOM 0 HA VAL A 40 -9.604 -3.722 0.017 1.00 0.00 H new ATOM 0 HB VAL A 40 -9.990 -4.279 2.981 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -12.148 -5.213 2.256 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -11.998 -3.489 1.839 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -11.789 -4.731 0.581 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -10.147 -6.654 2.347 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -9.701 -6.232 0.676 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -8.537 -5.981 1.999 1.00 0.00 H new ATOM 666 N LEU A 41 -10.622 -1.542 0.580 1.00 0.00 N ATOM 667 CA LEU A 41 -11.100 -0.185 0.784 1.00 0.00 C ATOM 668 C LEU A 41 -12.614 -0.079 0.616 1.00 0.00 C ATOM 669 O LEU A 41 -13.172 -0.496 -0.399 1.00 0.00 O ATOM 670 CB LEU A 41 -10.389 0.766 -0.182 1.00 0.00 C ATOM 671 CG LEU A 41 -10.028 0.175 -1.552 1.00 0.00 C ATOM 672 CD1 LEU A 41 -8.979 -0.918 -1.413 1.00 0.00 C ATOM 673 CD2 LEU A 41 -11.268 -0.353 -2.260 1.00 0.00 C ATOM 0 H LEU A 41 -10.979 -1.991 -0.263 1.00 0.00 H new ATOM 0 HA LEU A 41 -10.869 0.098 1.811 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -11.025 1.637 -0.339 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -9.474 1.120 0.293 1.00 0.00 H new ATOM 0 HG LEU A 41 -9.605 0.974 -2.161 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.740 -1.321 -2.397 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -8.078 -0.502 -0.963 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -9.366 -1.716 -0.779 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -10.986 -0.766 -3.228 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -11.729 -1.132 -1.653 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -11.978 0.461 -2.406 1.00 0.00 H new ATOM 685 N LYS A 42 -13.273 0.497 1.616 1.00 0.00 N ATOM 686 CA LYS A 42 -14.719 0.679 1.580 1.00 0.00 C ATOM 687 C LYS A 42 -15.056 2.123 1.222 1.00 0.00 C ATOM 688 O LYS A 42 -14.447 3.060 1.742 1.00 0.00 O ATOM 689 CB LYS A 42 -15.341 0.297 2.928 1.00 0.00 C ATOM 690 CG LYS A 42 -16.800 0.705 3.072 1.00 0.00 C ATOM 691 CD LYS A 42 -17.322 0.425 4.472 1.00 0.00 C ATOM 692 CE LYS A 42 -16.540 1.198 5.522 1.00 0.00 C ATOM 693 NZ LYS A 42 -17.161 1.087 6.870 1.00 0.00 N ATOM 0 H LYS A 42 -12.827 0.847 2.464 1.00 0.00 H new ATOM 0 HA LYS A 42 -15.136 0.024 0.815 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -15.261 -0.782 3.061 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -14.764 0.761 3.728 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -16.906 1.767 2.849 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -17.404 0.165 2.343 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -18.376 0.696 4.529 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -17.255 -0.643 4.680 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -15.517 0.823 5.562 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -16.484 2.248 5.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -16.598 1.628 7.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -18.128 1.468 6.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -17.191 0.088 7.157 1.00 0.00 H new ATOM 707 N VAL A 43 -16.025 2.296 0.329 1.00 0.00 N ATOM 708 CA VAL A 43 -16.435 3.626 -0.104 1.00 0.00 C ATOM 709 C VAL A 43 -17.869 3.931 0.312 1.00 0.00 C ATOM 710 O VAL A 43 -18.812 3.277 -0.134 1.00 0.00 O ATOM 711 CB VAL A 43 -16.312 3.780 -1.633 1.00 0.00 C ATOM 712 CG1 VAL A 43 -16.641 5.201 -2.060 1.00 0.00 C ATOM 713 CG2 VAL A 43 -14.916 3.388 -2.095 1.00 0.00 C ATOM 0 H VAL A 43 -16.540 1.532 -0.108 1.00 0.00 H new ATOM 0 HA VAL A 43 -15.765 4.334 0.383 1.00 0.00 H new ATOM 0 HB VAL A 43 -17.032 3.111 -2.105 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -16.548 5.286 -3.143 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -17.662 5.443 -1.764 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -15.950 5.894 -1.580 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -14.845 3.502 -3.177 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -14.179 4.031 -1.613 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -14.722 2.350 -1.826 1.00 0.00 H new ATOM 723 N GLU A 44 -18.025 4.938 1.164 1.00 0.00 N ATOM 724 CA GLU A 44 -19.340 5.345 1.639 1.00 0.00 C ATOM 725 C GLU A 44 -19.463 6.865 1.638 1.00 0.00 C ATOM 726 O GLU A 44 -18.466 7.577 1.765 1.00 0.00 O ATOM 727 CB GLU A 44 -19.601 4.796 3.043 1.00 0.00 C ATOM 728 CG GLU A 44 -18.412 4.925 3.979 1.00 0.00 C ATOM 729 CD GLU A 44 -18.673 4.311 5.341 1.00 0.00 C ATOM 730 OE1 GLU A 44 -19.195 3.177 5.390 1.00 0.00 O ATOM 731 OE2 GLU A 44 -18.356 4.964 6.356 1.00 0.00 O ATOM 0 H GLU A 44 -17.253 5.489 1.540 1.00 0.00 H new ATOM 0 HA GLU A 44 -20.088 4.934 0.961 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -20.452 5.321 3.477 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -19.880 3.745 2.967 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -17.545 4.443 3.527 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -18.163 5.979 4.101 1.00 0.00 H new ATOM 738 N LYS A 45 -20.687 7.355 1.484 1.00 0.00 N ATOM 739 CA LYS A 45 -20.942 8.791 1.456 1.00 0.00 C ATOM 740 C LYS A 45 -20.398 9.489 2.703 1.00 0.00 C ATOM 741 O LYS A 45 -20.204 10.705 2.703 1.00 0.00 O ATOM 742 CB LYS A 45 -22.443 9.058 1.329 1.00 0.00 C ATOM 743 CG LYS A 45 -22.780 10.516 1.054 1.00 0.00 C ATOM 744 CD LYS A 45 -23.796 11.052 2.050 1.00 0.00 C ATOM 745 CE LYS A 45 -24.706 12.089 1.413 1.00 0.00 C ATOM 746 NZ LYS A 45 -25.984 12.244 2.162 1.00 0.00 N ATOM 0 H LYS A 45 -21.521 6.778 1.376 1.00 0.00 H new ATOM 0 HA LYS A 45 -20.422 9.199 0.589 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -22.847 8.442 0.525 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -22.938 8.746 2.249 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -21.871 11.116 1.102 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -23.174 10.615 0.042 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -24.396 10.229 2.438 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -23.276 11.495 2.899 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -24.190 13.048 1.373 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -24.921 11.800 0.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -26.576 12.960 1.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -26.489 11.335 2.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -25.781 12.545 3.137 1.00 0.00 H new ATOM 760 N VAL A 46 -20.163 8.724 3.766 1.00 0.00 N ATOM 761 CA VAL A 46 -19.653 9.291 5.009 1.00 0.00 C ATOM 762 C VAL A 46 -18.126 9.418 4.991 1.00 0.00 C ATOM 763 O VAL A 46 -17.592 10.483 4.683 1.00 0.00 O ATOM 764 CB VAL A 46 -20.090 8.454 6.228 1.00 0.00 C ATOM 765 CG1 VAL A 46 -19.632 9.105 7.526 1.00 0.00 C ATOM 766 CG2 VAL A 46 -21.599 8.263 6.224 1.00 0.00 C ATOM 0 H VAL A 46 -20.317 7.716 3.791 1.00 0.00 H new ATOM 0 HA VAL A 46 -20.081 10.290 5.096 1.00 0.00 H new ATOM 0 HB VAL A 46 -19.617 7.474 6.159 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -19.952 8.496 8.371 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -18.545 9.186 7.528 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -20.070 10.100 7.609 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -21.893 7.670 7.090 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -22.089 9.236 6.267 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -21.898 7.746 5.312 1.00 0.00 H new ATOM 776 N THR A 47 -17.429 8.334 5.327 1.00 0.00 N ATOM 777 CA THR A 47 -15.969 8.347 5.350 1.00 0.00 C ATOM 778 C THR A 47 -15.389 7.175 4.564 1.00 0.00 C ATOM 779 O THR A 47 -16.014 6.122 4.445 1.00 0.00 O ATOM 780 CB THR A 47 -15.463 8.304 6.793 1.00 0.00 C ATOM 781 OG1 THR A 47 -16.268 9.114 7.630 1.00 0.00 O ATOM 782 CG2 THR A 47 -14.032 8.773 6.938 1.00 0.00 C ATOM 0 H THR A 47 -17.849 7.441 5.585 1.00 0.00 H new ATOM 0 HA THR A 47 -15.637 9.271 4.877 1.00 0.00 H new ATOM 0 HB THR A 47 -15.517 7.256 7.088 1.00 0.00 H new ATOM 0 HG1 THR A 47 -15.930 9.072 8.549 1.00 0.00 H new ATOM 0 HG21 THR A 47 -13.735 8.718 7.985 1.00 0.00 H new ATOM 0 HG22 THR A 47 -13.378 8.137 6.342 1.00 0.00 H new ATOM 0 HG23 THR A 47 -13.950 9.803 6.592 1.00 0.00 H new ATOM 790 N HIS A 48 -14.182 7.362 4.038 1.00 0.00 N ATOM 791 CA HIS A 48 -13.509 6.317 3.275 1.00 0.00 C ATOM 792 C HIS A 48 -12.545 5.543 4.169 1.00 0.00 C ATOM 793 O HIS A 48 -11.779 6.137 4.929 1.00 0.00 O ATOM 794 CB HIS A 48 -12.753 6.927 2.093 1.00 0.00 C ATOM 795 CG HIS A 48 -13.602 7.806 1.227 1.00 0.00 C ATOM 796 ND1 HIS A 48 -14.522 8.746 1.550 1.00 0.00 N flip ATOM 797 CD2 HIS A 48 -13.557 7.774 -0.151 1.00 0.00 C flip ATOM 798 CE1 HIS A 48 -15.010 9.259 0.372 1.00 0.00 C flip ATOM 799 NE2 HIS A 48 -14.410 8.656 -0.638 1.00 0.00 N flip ATOM 0 H HIS A 48 -13.650 8.228 4.126 1.00 0.00 H new ATOM 0 HA HIS A 48 -14.262 5.628 2.893 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -11.912 7.508 2.471 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -12.338 6.124 1.484 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -12.923 7.128 -0.740 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -15.762 10.030 0.286 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -14.577 8.840 -1.627 1.00 0.00 H new ATOM 808 N THR A 49 -12.591 4.217 4.085 1.00 0.00 N ATOM 809 CA THR A 49 -11.722 3.375 4.902 1.00 0.00 C ATOM 810 C THR A 49 -10.944 2.378 4.048 1.00 0.00 C ATOM 811 O THR A 49 -11.485 1.787 3.116 1.00 0.00 O ATOM 812 CB THR A 49 -12.546 2.628 5.951 1.00 0.00 C ATOM 813 OG1 THR A 49 -13.301 3.535 6.736 1.00 0.00 O ATOM 814 CG2 THR A 49 -11.703 1.797 6.895 1.00 0.00 C ATOM 0 H THR A 49 -13.217 3.704 3.464 1.00 0.00 H new ATOM 0 HA THR A 49 -11.003 4.026 5.400 1.00 0.00 H new ATOM 0 HB THR A 49 -13.195 1.960 5.385 1.00 0.00 H new ATOM 0 HG1 THR A 49 -12.767 3.826 7.504 1.00 0.00 H new ATOM 0 HG21 THR A 49 -12.350 1.294 7.613 1.00 0.00 H new ATOM 0 HG22 THR A 49 -11.145 1.053 6.326 1.00 0.00 H new ATOM 0 HG23 THR A 49 -11.006 2.445 7.426 1.00 0.00 H new ATOM 822 N SER A 50 -9.670 2.197 4.382 1.00 0.00 N ATOM 823 CA SER A 50 -8.810 1.270 3.653 1.00 0.00 C ATOM 824 C SER A 50 -7.857 0.550 4.603 1.00 0.00 C ATOM 825 O SER A 50 -7.302 1.159 5.519 1.00 0.00 O ATOM 826 CB SER A 50 -8.014 2.014 2.578 1.00 0.00 C ATOM 827 OG SER A 50 -8.761 3.095 2.048 1.00 0.00 O ATOM 0 H SER A 50 -9.210 2.680 5.153 1.00 0.00 H new ATOM 0 HA SER A 50 -9.446 0.526 3.173 1.00 0.00 H new ATOM 0 HB2 SER A 50 -7.082 2.386 3.003 1.00 0.00 H new ATOM 0 HB3 SER A 50 -7.747 1.325 1.777 1.00 0.00 H new ATOM 0 HG SER A 50 -9.609 2.761 1.688 1.00 0.00 H new ATOM 833 N ASP A 51 -7.673 -0.747 4.380 1.00 0.00 N ATOM 834 CA ASP A 51 -6.787 -1.550 5.218 1.00 0.00 C ATOM 835 C ASP A 51 -5.654 -2.152 4.394 1.00 0.00 C ATOM 836 O ASP A 51 -5.825 -2.449 3.210 1.00 0.00 O ATOM 837 CB ASP A 51 -7.577 -2.661 5.914 1.00 0.00 C ATOM 838 CG ASP A 51 -8.210 -3.628 4.933 1.00 0.00 C ATOM 839 OD1 ASP A 51 -7.501 -4.101 4.020 1.00 0.00 O ATOM 840 OD2 ASP A 51 -9.418 -3.913 5.078 1.00 0.00 O ATOM 0 H ASP A 51 -8.125 -1.265 3.627 1.00 0.00 H new ATOM 0 HA ASP A 51 -6.352 -0.896 5.974 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -6.913 -3.210 6.583 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -8.356 -2.215 6.533 1.00 0.00 H new ATOM 845 N ALA A 52 -4.498 -2.334 5.025 1.00 0.00 N ATOM 846 CA ALA A 52 -3.340 -2.904 4.348 1.00 0.00 C ATOM 847 C ALA A 52 -2.627 -3.923 5.231 1.00 0.00 C ATOM 848 O ALA A 52 -2.015 -3.569 6.239 1.00 0.00 O ATOM 849 CB ALA A 52 -2.377 -1.804 3.931 1.00 0.00 C ATOM 0 H ALA A 52 -4.339 -2.095 6.004 1.00 0.00 H new ATOM 0 HA ALA A 52 -3.695 -3.421 3.457 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -1.517 -2.245 3.427 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.882 -1.116 3.253 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -2.040 -1.261 4.814 1.00 0.00 H new ATOM 855 N THR A 53 -2.715 -5.191 4.844 1.00 0.00 N ATOM 856 CA THR A 53 -2.080 -6.269 5.596 1.00 0.00 C ATOM 857 C THR A 53 -0.884 -6.833 4.837 1.00 0.00 C ATOM 858 O THR A 53 -1.046 -7.534 3.837 1.00 0.00 O ATOM 859 CB THR A 53 -3.090 -7.382 5.879 1.00 0.00 C ATOM 860 OG1 THR A 53 -4.394 -6.852 6.030 1.00 0.00 O ATOM 861 CG2 THR A 53 -2.769 -8.174 7.129 1.00 0.00 C ATOM 0 H THR A 53 -3.220 -5.498 4.013 1.00 0.00 H new ATOM 0 HA THR A 53 -1.725 -5.859 6.541 1.00 0.00 H new ATOM 0 HB THR A 53 -3.034 -8.049 5.019 1.00 0.00 H new ATOM 0 HG1 THR A 53 -5.047 -7.475 5.647 1.00 0.00 H new ATOM 0 HG21 THR A 53 -3.523 -8.948 7.273 1.00 0.00 H new ATOM 0 HG22 THR A 53 -1.788 -8.638 7.024 1.00 0.00 H new ATOM 0 HG23 THR A 53 -2.764 -7.507 7.991 1.00 0.00 H new ATOM 869 N LEU A 54 0.319 -6.524 5.315 1.00 0.00 N ATOM 870 CA LEU A 54 1.540 -7.003 4.677 1.00 0.00 C ATOM 871 C LEU A 54 2.082 -8.237 5.395 1.00 0.00 C ATOM 872 O LEU A 54 1.985 -8.351 6.616 1.00 0.00 O ATOM 873 CB LEU A 54 2.600 -5.899 4.665 1.00 0.00 C ATOM 874 CG LEU A 54 2.469 -4.884 3.526 1.00 0.00 C ATOM 875 CD1 LEU A 54 1.061 -4.311 3.478 1.00 0.00 C ATOM 876 CD2 LEU A 54 3.495 -3.772 3.685 1.00 0.00 C ATOM 0 H LEU A 54 0.473 -5.945 6.141 1.00 0.00 H new ATOM 0 HA LEU A 54 1.300 -7.279 3.650 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.556 -5.364 5.614 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.585 -6.363 4.606 1.00 0.00 H new ATOM 0 HG LEU A 54 2.660 -5.397 2.584 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.988 -3.592 2.662 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.345 -5.117 3.316 1.00 0.00 H new ATOM 0 HD13 LEU A 54 0.839 -3.813 4.422 1.00 0.00 H new ATOM 0 HD21 LEU A 54 3.388 -3.059 2.867 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.334 -3.262 4.635 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.498 -4.197 3.667 1.00 0.00 H new ATOM 888 N HIS A 55 2.655 -9.156 4.624 1.00 0.00 N ATOM 889 CA HIS A 55 3.216 -10.382 5.183 1.00 0.00 C ATOM 890 C HIS A 55 4.740 -10.328 5.198 1.00 0.00 C ATOM 891 O HIS A 55 5.364 -9.868 4.242 1.00 0.00 O ATOM 892 CB HIS A 55 2.746 -11.596 4.380 1.00 0.00 C ATOM 893 CG HIS A 55 1.399 -12.101 4.793 1.00 0.00 C ATOM 894 ND1 HIS A 55 1.209 -13.308 5.433 1.00 0.00 N ATOM 895 CD2 HIS A 55 0.167 -11.555 4.655 1.00 0.00 C ATOM 896 CE1 HIS A 55 -0.078 -13.483 5.670 1.00 0.00 C ATOM 897 NE2 HIS A 55 -0.732 -12.433 5.208 1.00 0.00 N ATOM 0 H HIS A 55 2.743 -9.075 3.611 1.00 0.00 H new ATOM 0 HA HIS A 55 2.864 -10.475 6.210 1.00 0.00 H new ATOM 0 HB2 HIS A 55 2.718 -11.333 3.323 1.00 0.00 H new ATOM 0 HB3 HIS A 55 3.475 -12.399 4.490 1.00 0.00 H new ATOM 0 HD1 HIS A 55 1.949 -13.964 5.684 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -0.065 -10.606 4.195 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -0.520 -14.339 6.158 1.00 0.00 H new ATOM 906 N VAL A 56 5.332 -10.805 6.288 1.00 0.00 N ATOM 907 CA VAL A 56 6.784 -10.814 6.427 1.00 0.00 C ATOM 908 C VAL A 56 7.281 -12.179 6.890 1.00 0.00 C ATOM 909 O VAL A 56 6.537 -12.948 7.499 1.00 0.00 O ATOM 910 CB VAL A 56 7.261 -9.742 7.425 1.00 0.00 C ATOM 911 CG1 VAL A 56 8.779 -9.636 7.411 1.00 0.00 C ATOM 912 CG2 VAL A 56 6.623 -8.396 7.111 1.00 0.00 C ATOM 0 H VAL A 56 4.829 -11.190 7.088 1.00 0.00 H new ATOM 0 HA VAL A 56 7.197 -10.592 5.443 1.00 0.00 H new ATOM 0 HB VAL A 56 6.949 -10.041 8.426 1.00 0.00 H new ATOM 0 HG11 VAL A 56 9.097 -8.874 8.122 1.00 0.00 H new ATOM 0 HG12 VAL A 56 9.213 -10.596 7.690 1.00 0.00 H new ATOM 0 HG13 VAL A 56 9.115 -9.362 6.411 1.00 0.00 H new ATOM 0 HG21 VAL A 56 6.972 -7.652 7.827 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.901 -8.088 6.103 1.00 0.00 H new ATOM 0 HG23 VAL A 56 5.539 -8.483 7.178 1.00 0.00 H new ATOM 922 N ASN A 57 8.542 -12.474 6.596 1.00 0.00 N ATOM 923 CA ASN A 57 9.138 -13.747 6.983 1.00 0.00 C ATOM 924 C ASN A 57 9.150 -13.906 8.499 1.00 0.00 C ATOM 925 O ASN A 57 9.990 -13.326 9.187 1.00 0.00 O ATOM 926 CB ASN A 57 10.563 -13.855 6.437 1.00 0.00 C ATOM 927 CG ASN A 57 10.627 -13.628 4.938 1.00 0.00 C ATOM 928 OD1 ASN A 57 10.096 -12.644 4.425 1.00 0.00 O ATOM 929 ND2 ASN A 57 11.282 -14.541 4.230 1.00 0.00 N ATOM 0 H ASN A 57 9.171 -11.849 6.091 1.00 0.00 H new ATOM 0 HA ASN A 57 8.531 -14.546 6.557 1.00 0.00 H new ATOM 0 HB2 ASN A 57 11.198 -13.125 6.940 1.00 0.00 H new ATOM 0 HB3 ASN A 57 10.965 -14.841 6.670 1.00 0.00 H new ATOM 0 HD21 ASN A 57 11.360 -14.442 3.218 1.00 0.00 H new ATOM 0 HD22 ASN A 57 11.707 -15.341 4.698 1.00 0.00 H new ATOM 936 N GLY A 58 8.213 -14.695 9.015 1.00 0.00 N ATOM 937 CA GLY A 58 8.137 -14.917 10.448 1.00 0.00 C ATOM 938 C GLY A 58 7.207 -13.942 11.148 1.00 0.00 C ATOM 939 O GLY A 58 6.819 -14.166 12.295 1.00 0.00 O ATOM 0 H GLY A 58 7.505 -15.184 8.467 1.00 0.00 H new ATOM 0 HA2 GLY A 58 7.796 -15.935 10.635 1.00 0.00 H new ATOM 0 HA3 GLY A 58 9.135 -14.831 10.877 1.00 0.00 H new ATOM 943 N GLY A 59 6.850 -12.860 10.464 1.00 0.00 N ATOM 944 CA GLY A 59 5.966 -11.871 11.055 1.00 0.00 C ATOM 945 C GLY A 59 4.979 -11.299 10.057 1.00 0.00 C ATOM 946 O GLY A 59 5.210 -11.342 8.849 1.00 0.00 O ATOM 0 H GLY A 59 7.156 -12.650 9.514 1.00 0.00 H new ATOM 0 HA2 GLY A 59 5.419 -12.326 11.881 1.00 0.00 H new ATOM 0 HA3 GLY A 59 6.562 -11.061 11.475 1.00 0.00 H new ATOM 950 N GLU A 60 3.876 -10.759 10.566 1.00 0.00 N ATOM 951 CA GLU A 60 2.847 -10.174 9.713 1.00 0.00 C ATOM 952 C GLU A 60 2.303 -8.886 10.327 1.00 0.00 C ATOM 953 O GLU A 60 1.845 -8.877 11.469 1.00 0.00 O ATOM 954 CB GLU A 60 1.709 -11.170 9.495 1.00 0.00 C ATOM 955 CG GLU A 60 2.137 -12.434 8.766 1.00 0.00 C ATOM 956 CD GLU A 60 2.201 -13.641 9.680 1.00 0.00 C ATOM 957 OE1 GLU A 60 1.130 -14.115 10.114 1.00 0.00 O ATOM 958 OE2 GLU A 60 3.322 -14.116 9.960 1.00 0.00 O ATOM 0 H GLU A 60 3.672 -10.714 11.564 1.00 0.00 H new ATOM 0 HA GLU A 60 3.298 -9.935 8.750 1.00 0.00 H new ATOM 0 HB2 GLU A 60 1.287 -11.444 10.462 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.916 -10.684 8.927 1.00 0.00 H new ATOM 0 HG2 GLU A 60 1.438 -12.635 7.954 1.00 0.00 H new ATOM 0 HG3 GLU A 60 3.115 -12.274 8.313 1.00 0.00 H new ATOM 965 N ILE A 61 2.355 -7.803 9.559 1.00 0.00 N ATOM 966 CA ILE A 61 1.868 -6.510 10.030 1.00 0.00 C ATOM 967 C ILE A 61 0.501 -6.196 9.435 1.00 0.00 C ATOM 968 O ILE A 61 0.246 -6.466 8.261 1.00 0.00 O ATOM 969 CB ILE A 61 2.847 -5.375 9.671 1.00 0.00 C ATOM 970 CG1 ILE A 61 4.273 -5.746 10.086 1.00 0.00 C ATOM 971 CG2 ILE A 61 2.419 -4.074 10.333 1.00 0.00 C ATOM 972 CD1 ILE A 61 5.306 -5.458 9.018 1.00 0.00 C ATOM 0 H ILE A 61 2.728 -7.794 8.610 1.00 0.00 H new ATOM 0 HA ILE A 61 1.786 -6.575 11.115 1.00 0.00 H new ATOM 0 HB ILE A 61 2.830 -5.233 8.590 1.00 0.00 H new ATOM 0 HG12 ILE A 61 4.534 -5.197 10.991 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.306 -6.806 10.336 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.121 -3.283 10.069 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.421 -3.802 9.990 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.408 -4.203 11.415 1.00 0.00 H new ATOM 0 HD11 ILE A 61 6.293 -5.745 9.380 1.00 0.00 H new ATOM 0 HD12 ILE A 61 5.069 -6.028 8.119 1.00 0.00 H new ATOM 0 HD13 ILE A 61 5.301 -4.393 8.784 1.00 0.00 H new ATOM 984 N HIS A 62 -0.376 -5.613 10.248 1.00 0.00 N ATOM 985 CA HIS A 62 -1.714 -5.252 9.797 1.00 0.00 C ATOM 986 C HIS A 62 -2.065 -3.833 10.231 1.00 0.00 C ATOM 987 O HIS A 62 -2.233 -3.564 11.420 1.00 0.00 O ATOM 988 CB HIS A 62 -2.747 -6.238 10.346 1.00 0.00 C ATOM 989 CG HIS A 62 -4.101 -6.088 9.731 1.00 0.00 C ATOM 990 ND1 HIS A 62 -4.601 -5.137 8.907 1.00 0.00 N flip ATOM 991 CD2 HIS A 62 -5.128 -6.987 9.942 1.00 0.00 C flip ATOM 992 CE1 HIS A 62 -5.905 -5.475 8.637 1.00 0.00 C flip ATOM 993 NE2 HIS A 62 -6.197 -6.595 9.272 1.00 0.00 N flip ATOM 0 H HIS A 62 -0.183 -5.381 11.222 1.00 0.00 H new ATOM 0 HA HIS A 62 -1.729 -5.296 8.708 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -2.392 -7.255 10.179 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -2.830 -6.102 11.424 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -5.067 -7.872 10.558 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -6.581 -4.915 8.008 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -7.096 -7.076 9.249 1.00 0.00 H new ATOM 1002 N ALA A 63 -2.176 -2.929 9.264 1.00 0.00 N ATOM 1003 CA ALA A 63 -2.511 -1.539 9.558 1.00 0.00 C ATOM 1004 C ALA A 63 -3.655 -1.055 8.674 1.00 0.00 C ATOM 1005 O ALA A 63 -3.906 -1.614 7.606 1.00 0.00 O ATOM 1006 CB ALA A 63 -1.287 -0.653 9.379 1.00 0.00 C ATOM 0 H ALA A 63 -2.040 -3.132 8.274 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.838 -1.478 10.596 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -1.551 0.381 9.601 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -0.499 -0.980 10.057 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -0.934 -0.724 8.350 1.00 0.00 H new ATOM 1012 N SER A 64 -4.341 -0.008 9.120 1.00 0.00 N ATOM 1013 CA SER A 64 -5.453 0.557 8.366 1.00 0.00 C ATOM 1014 C SER A 64 -5.442 2.079 8.456 1.00 0.00 C ATOM 1015 O SER A 64 -4.969 2.646 9.442 1.00 0.00 O ATOM 1016 CB SER A 64 -6.783 0.013 8.891 1.00 0.00 C ATOM 1017 OG SER A 64 -7.879 0.580 8.194 1.00 0.00 O ATOM 0 H SER A 64 -4.146 0.467 10.001 1.00 0.00 H new ATOM 0 HA SER A 64 -5.340 0.267 7.321 1.00 0.00 H new ATOM 0 HB2 SER A 64 -6.803 -1.072 8.785 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.873 0.231 9.955 1.00 0.00 H new ATOM 0 HG SER A 64 -7.623 0.747 7.263 1.00 0.00 H new ATOM 1023 N ALA A 65 -5.959 2.737 7.425 1.00 0.00 N ATOM 1024 CA ALA A 65 -6.001 4.194 7.398 1.00 0.00 C ATOM 1025 C ALA A 65 -7.240 4.700 6.670 1.00 0.00 C ATOM 1026 O ALA A 65 -7.924 3.944 5.981 1.00 0.00 O ATOM 1027 CB ALA A 65 -4.741 4.745 6.746 1.00 0.00 C ATOM 0 H ALA A 65 -6.354 2.287 6.599 1.00 0.00 H new ATOM 0 HA ALA A 65 -6.051 4.548 8.428 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -4.785 5.834 6.732 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.868 4.424 7.314 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -4.667 4.372 5.725 1.00 0.00 H new ATOM 1033 N GLU A 66 -7.521 5.990 6.827 1.00 0.00 N ATOM 1034 CA GLU A 66 -8.675 6.608 6.186 1.00 0.00 C ATOM 1035 C GLU A 66 -8.307 7.975 5.619 1.00 0.00 C ATOM 1036 O GLU A 66 -7.317 8.580 6.029 1.00 0.00 O ATOM 1037 CB GLU A 66 -9.826 6.750 7.185 1.00 0.00 C ATOM 1038 CG GLU A 66 -10.168 5.456 7.908 1.00 0.00 C ATOM 1039 CD GLU A 66 -11.089 5.677 9.092 1.00 0.00 C ATOM 1040 OE1 GLU A 66 -11.027 6.767 9.697 1.00 0.00 O ATOM 1041 OE2 GLU A 66 -11.871 4.758 9.413 1.00 0.00 O ATOM 0 H GLU A 66 -6.963 6.628 7.394 1.00 0.00 H new ATOM 0 HA GLU A 66 -8.995 5.965 5.366 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -9.565 7.510 7.922 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -10.711 7.107 6.658 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -10.641 4.767 7.208 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -9.249 4.981 8.251 1.00 0.00 H new ATOM 1048 N GLY A 67 -9.108 8.456 4.675 1.00 0.00 N ATOM 1049 CA GLY A 67 -8.844 9.748 4.071 1.00 0.00 C ATOM 1050 C GLY A 67 -10.066 10.339 3.400 1.00 0.00 C ATOM 1051 O GLY A 67 -11.094 9.675 3.266 1.00 0.00 O ATOM 0 H GLY A 67 -9.934 7.975 4.318 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -8.486 10.436 4.837 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -8.045 9.645 3.337 1.00 0.00 H new ATOM 1055 N GLN A 68 -9.955 11.596 2.981 1.00 0.00 N ATOM 1056 CA GLN A 68 -11.056 12.289 2.323 1.00 0.00 C ATOM 1057 C GLN A 68 -11.458 11.602 1.018 1.00 0.00 C ATOM 1058 O GLN A 68 -12.513 11.902 0.455 1.00 0.00 O ATOM 1059 CB GLN A 68 -10.669 13.744 2.045 1.00 0.00 C ATOM 1060 CG GLN A 68 -11.757 14.542 1.344 1.00 0.00 C ATOM 1061 CD GLN A 68 -11.714 16.017 1.690 1.00 0.00 C ATOM 1062 OE1 GLN A 68 -11.909 16.401 2.844 1.00 0.00 O ATOM 1063 NE2 GLN A 68 -11.457 16.853 0.692 1.00 0.00 N ATOM 0 H GLN A 68 -9.110 12.157 3.086 1.00 0.00 H new ATOM 0 HA GLN A 68 -11.914 12.260 2.995 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -10.423 14.232 2.988 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -9.767 13.760 1.433 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -11.652 14.423 0.266 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -12.732 14.137 1.616 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -11.302 16.491 -0.249 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -11.415 17.857 0.866 1.00 0.00 H new ATOM 1072 N ASP A 69 -10.628 10.680 0.539 1.00 0.00 N ATOM 1073 CA ASP A 69 -10.919 9.962 -0.696 1.00 0.00 C ATOM 1074 C ASP A 69 -10.229 8.601 -0.703 1.00 0.00 C ATOM 1075 O ASP A 69 -9.483 8.270 0.219 1.00 0.00 O ATOM 1076 CB ASP A 69 -10.472 10.782 -1.908 1.00 0.00 C ATOM 1077 CG ASP A 69 -9.051 11.292 -1.768 1.00 0.00 C ATOM 1078 OD1 ASP A 69 -8.861 12.351 -1.135 1.00 0.00 O ATOM 1079 OD2 ASP A 69 -8.129 10.632 -2.292 1.00 0.00 O ATOM 0 H ASP A 69 -9.751 10.414 0.986 1.00 0.00 H new ATOM 0 HA ASP A 69 -11.996 9.806 -0.754 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -10.548 10.169 -2.806 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -11.147 11.627 -2.040 1.00 0.00 H new ATOM 1084 N MET A 70 -10.483 7.816 -1.745 1.00 0.00 N ATOM 1085 CA MET A 70 -9.884 6.492 -1.862 1.00 0.00 C ATOM 1086 C MET A 70 -8.361 6.581 -1.870 1.00 0.00 C ATOM 1087 O MET A 70 -7.687 5.909 -1.092 1.00 0.00 O ATOM 1088 CB MET A 70 -10.372 5.799 -3.138 1.00 0.00 C ATOM 1089 CG MET A 70 -10.245 4.285 -3.097 1.00 0.00 C ATOM 1090 SD MET A 70 -8.536 3.728 -3.235 1.00 0.00 S ATOM 1091 CE MET A 70 -8.294 2.984 -1.625 1.00 0.00 C ATOM 0 H MET A 70 -11.097 8.073 -2.518 1.00 0.00 H new ATOM 0 HA MET A 70 -10.191 5.905 -0.996 1.00 0.00 H new ATOM 0 HB2 MET A 70 -11.416 6.063 -3.308 1.00 0.00 H new ATOM 0 HB3 MET A 70 -9.805 6.180 -3.987 1.00 0.00 H new ATOM 0 HG2 MET A 70 -10.670 3.914 -2.164 1.00 0.00 H new ATOM 0 HG3 MET A 70 -10.831 3.853 -3.908 1.00 0.00 H new ATOM 0 HE1 MET A 70 -7.624 3.608 -1.033 1.00 0.00 H new ATOM 0 HE2 MET A 70 -9.254 2.898 -1.116 1.00 0.00 H new ATOM 0 HE3 MET A 70 -7.856 1.993 -1.744 1.00 0.00 H new ATOM 1101 N TYR A 71 -7.824 7.414 -2.756 1.00 0.00 N ATOM 1102 CA TYR A 71 -6.380 7.587 -2.864 1.00 0.00 C ATOM 1103 C TYR A 71 -5.786 8.084 -1.549 1.00 0.00 C ATOM 1104 O TYR A 71 -4.701 7.661 -1.149 1.00 0.00 O ATOM 1105 CB TYR A 71 -6.047 8.567 -3.991 1.00 0.00 C ATOM 1106 CG TYR A 71 -6.706 8.221 -5.307 1.00 0.00 C ATOM 1107 CD1 TYR A 71 -6.234 7.170 -6.085 1.00 0.00 C ATOM 1108 CD2 TYR A 71 -7.798 8.941 -5.771 1.00 0.00 C ATOM 1109 CE1 TYR A 71 -6.833 6.849 -7.288 1.00 0.00 C ATOM 1110 CE2 TYR A 71 -8.404 8.626 -6.973 1.00 0.00 C ATOM 1111 CZ TYR A 71 -7.918 7.580 -7.728 1.00 0.00 C ATOM 1112 OH TYR A 71 -8.517 7.263 -8.925 1.00 0.00 O ATOM 0 H TYR A 71 -8.367 7.979 -3.409 1.00 0.00 H new ATOM 0 HA TYR A 71 -5.941 6.616 -3.092 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -6.354 9.569 -3.693 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -4.966 8.593 -4.131 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -5.386 6.595 -5.744 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -8.181 9.762 -5.183 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -6.454 6.030 -7.881 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -9.254 9.196 -7.319 1.00 0.00 H new ATOM 0 HH TYR A 71 -9.267 7.873 -9.087 1.00 0.00 H new ATOM 1122 N ALA A 72 -6.501 8.985 -0.884 1.00 0.00 N ATOM 1123 CA ALA A 72 -6.042 9.540 0.385 1.00 0.00 C ATOM 1124 C ALA A 72 -5.755 8.437 1.400 1.00 0.00 C ATOM 1125 O ALA A 72 -4.653 8.349 1.941 1.00 0.00 O ATOM 1126 CB ALA A 72 -7.073 10.514 0.937 1.00 0.00 C ATOM 0 H ALA A 72 -7.400 9.347 -1.202 1.00 0.00 H new ATOM 0 HA ALA A 72 -5.111 10.076 0.202 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -6.719 10.921 1.884 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.223 11.327 0.226 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -8.017 9.993 1.097 1.00 0.00 H new ATOM 1132 N ALA A 73 -6.755 7.600 1.654 1.00 0.00 N ATOM 1133 CA ALA A 73 -6.616 6.502 2.605 1.00 0.00 C ATOM 1134 C ALA A 73 -5.370 5.670 2.316 1.00 0.00 C ATOM 1135 O ALA A 73 -4.764 5.102 3.225 1.00 0.00 O ATOM 1136 CB ALA A 73 -7.857 5.623 2.581 1.00 0.00 C ATOM 0 H ALA A 73 -7.673 7.661 1.214 1.00 0.00 H new ATOM 0 HA ALA A 73 -6.506 6.933 3.600 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -7.739 4.808 3.295 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -8.730 6.218 2.850 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -7.992 5.212 1.581 1.00 0.00 H new ATOM 1142 N ILE A 74 -4.988 5.603 1.043 1.00 0.00 N ATOM 1143 CA ILE A 74 -3.813 4.842 0.641 1.00 0.00 C ATOM 1144 C ILE A 74 -2.533 5.610 0.954 1.00 0.00 C ATOM 1145 O ILE A 74 -1.483 5.013 1.173 1.00 0.00 O ATOM 1146 CB ILE A 74 -3.843 4.496 -0.863 1.00 0.00 C ATOM 1147 CG1 ILE A 74 -5.060 3.627 -1.180 1.00 0.00 C ATOM 1148 CG2 ILE A 74 -2.562 3.784 -1.279 1.00 0.00 C ATOM 1149 CD1 ILE A 74 -5.127 2.357 -0.361 1.00 0.00 C ATOM 0 H ILE A 74 -5.475 6.066 0.276 1.00 0.00 H new ATOM 0 HA ILE A 74 -3.828 3.914 1.212 1.00 0.00 H new ATOM 0 HB ILE A 74 -3.916 5.425 -1.428 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -5.966 4.208 -1.008 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -5.044 3.367 -2.238 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -2.605 3.550 -2.343 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -1.707 4.431 -1.084 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -2.457 2.861 -0.708 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -6.016 1.791 -0.639 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -4.239 1.754 -0.551 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -5.175 2.609 0.698 1.00 0.00 H new ATOM 1161 N ASP A 75 -2.625 6.936 0.973 1.00 0.00 N ATOM 1162 CA ASP A 75 -1.467 7.774 1.264 1.00 0.00 C ATOM 1163 C ASP A 75 -1.018 7.586 2.710 1.00 0.00 C ATOM 1164 O ASP A 75 0.136 7.250 2.974 1.00 0.00 O ATOM 1165 CB ASP A 75 -1.796 9.245 0.999 1.00 0.00 C ATOM 1166 CG ASP A 75 -0.765 9.917 0.115 1.00 0.00 C ATOM 1167 OD1 ASP A 75 -0.604 9.484 -1.046 1.00 0.00 O ATOM 1168 OD2 ASP A 75 -0.116 10.876 0.582 1.00 0.00 O ATOM 0 H ASP A 75 -3.486 7.452 0.791 1.00 0.00 H new ATOM 0 HA ASP A 75 -0.651 7.473 0.607 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -2.776 9.316 0.528 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -1.859 9.777 1.948 1.00 0.00 H new ATOM 1173 N GLY A 76 -1.940 7.803 3.641 1.00 0.00 N ATOM 1174 CA GLY A 76 -1.619 7.649 5.047 1.00 0.00 C ATOM 1175 C GLY A 76 -1.333 6.207 5.421 1.00 0.00 C ATOM 1176 O GLY A 76 -0.510 5.937 6.293 1.00 0.00 O ATOM 0 H GLY A 76 -2.902 8.082 3.448 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -0.751 8.263 5.288 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -2.449 8.020 5.649 1.00 0.00 H new ATOM 1180 N LEU A 77 -2.015 5.280 4.756 1.00 0.00 N ATOM 1181 CA LEU A 77 -1.832 3.858 5.022 1.00 0.00 C ATOM 1182 C LEU A 77 -0.504 3.362 4.457 1.00 0.00 C ATOM 1183 O LEU A 77 0.239 2.646 5.128 1.00 0.00 O ATOM 1184 CB LEU A 77 -2.989 3.057 4.419 1.00 0.00 C ATOM 1185 CG LEU A 77 -3.015 1.571 4.783 1.00 0.00 C ATOM 1186 CD1 LEU A 77 -2.859 1.383 6.285 1.00 0.00 C ATOM 1187 CD2 LEU A 77 -4.305 0.930 4.294 1.00 0.00 C ATOM 0 H LEU A 77 -2.699 5.488 4.029 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.819 3.713 6.102 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.928 3.509 4.739 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.945 3.148 3.334 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.176 1.080 4.290 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.880 0.319 6.523 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.909 1.808 6.608 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -3.676 1.886 6.802 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.310 -0.127 4.560 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -5.157 1.425 4.760 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.374 1.032 3.211 1.00 0.00 H new ATOM 1199 N ILE A 78 -0.213 3.746 3.219 1.00 0.00 N ATOM 1200 CA ILE A 78 1.025 3.341 2.563 1.00 0.00 C ATOM 1201 C ILE A 78 2.241 3.988 3.225 1.00 0.00 C ATOM 1202 O ILE A 78 3.367 3.511 3.077 1.00 0.00 O ATOM 1203 CB ILE A 78 1.003 3.697 1.059 1.00 0.00 C ATOM 1204 CG1 ILE A 78 2.066 2.897 0.305 1.00 0.00 C ATOM 1205 CG2 ILE A 78 1.209 5.193 0.846 1.00 0.00 C ATOM 1206 CD1 ILE A 78 1.520 1.659 -0.375 1.00 0.00 C ATOM 0 H ILE A 78 -0.818 4.338 2.649 1.00 0.00 H new ATOM 0 HA ILE A 78 1.103 2.259 2.668 1.00 0.00 H new ATOM 0 HB ILE A 78 0.022 3.433 0.664 1.00 0.00 H new ATOM 0 HG12 ILE A 78 2.529 3.539 -0.444 1.00 0.00 H new ATOM 0 HG13 ILE A 78 2.851 2.603 1.002 1.00 0.00 H new ATOM 0 HG21 ILE A 78 1.189 5.415 -0.221 1.00 0.00 H new ATOM 0 HG22 ILE A 78 0.413 5.745 1.346 1.00 0.00 H new ATOM 0 HG23 ILE A 78 2.172 5.490 1.260 1.00 0.00 H new ATOM 0 HD11 ILE A 78 2.328 1.140 -0.890 1.00 0.00 H new ATOM 0 HD12 ILE A 78 1.082 0.997 0.372 1.00 0.00 H new ATOM 0 HD13 ILE A 78 0.756 1.947 -1.097 1.00 0.00 H new ATOM 1218 N ASP A 79 2.005 5.067 3.967 1.00 0.00 N ATOM 1219 CA ASP A 79 3.080 5.767 4.659 1.00 0.00 C ATOM 1220 C ASP A 79 3.439 5.044 5.953 1.00 0.00 C ATOM 1221 O ASP A 79 4.610 4.791 6.229 1.00 0.00 O ATOM 1222 CB ASP A 79 2.668 7.208 4.962 1.00 0.00 C ATOM 1223 CG ASP A 79 3.858 8.097 5.269 1.00 0.00 C ATOM 1224 OD1 ASP A 79 4.662 8.353 4.348 1.00 0.00 O ATOM 1225 OD2 ASP A 79 3.984 8.538 6.432 1.00 0.00 O ATOM 0 H ASP A 79 1.080 5.474 4.103 1.00 0.00 H new ATOM 0 HA ASP A 79 3.956 5.781 4.010 1.00 0.00 H new ATOM 0 HB2 ASP A 79 2.125 7.615 4.109 1.00 0.00 H new ATOM 0 HB3 ASP A 79 1.983 7.217 5.810 1.00 0.00 H new ATOM 1230 N LYS A 80 2.418 4.711 6.736 1.00 0.00 N ATOM 1231 CA LYS A 80 2.622 4.011 7.999 1.00 0.00 C ATOM 1232 C LYS A 80 3.180 2.613 7.757 1.00 0.00 C ATOM 1233 O LYS A 80 3.999 2.116 8.530 1.00 0.00 O ATOM 1234 CB LYS A 80 1.304 3.913 8.772 1.00 0.00 C ATOM 1235 CG LYS A 80 0.684 5.259 9.099 1.00 0.00 C ATOM 1236 CD LYS A 80 -0.732 5.101 9.634 1.00 0.00 C ATOM 1237 CE LYS A 80 -1.611 6.279 9.244 1.00 0.00 C ATOM 1238 NZ LYS A 80 -1.130 7.554 9.844 1.00 0.00 N ATOM 0 H LYS A 80 1.442 4.914 6.519 1.00 0.00 H new ATOM 0 HA LYS A 80 3.342 4.579 8.589 1.00 0.00 H new ATOM 0 HB2 LYS A 80 0.593 3.329 8.188 1.00 0.00 H new ATOM 0 HB3 LYS A 80 1.478 3.368 9.700 1.00 0.00 H new ATOM 0 HG2 LYS A 80 1.298 5.775 9.837 1.00 0.00 H new ATOM 0 HG3 LYS A 80 0.670 5.882 8.205 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -1.167 4.179 9.249 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -0.704 5.011 10.720 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -1.631 6.373 8.158 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -2.635 6.090 9.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -1.766 8.329 9.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -1.119 7.468 10.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -0.169 7.757 9.503 1.00 0.00 H new ATOM 1252 N LEU A 81 2.728 1.981 6.676 1.00 0.00 N ATOM 1253 CA LEU A 81 3.176 0.639 6.331 1.00 0.00 C ATOM 1254 C LEU A 81 4.663 0.626 5.991 1.00 0.00 C ATOM 1255 O LEU A 81 5.427 -0.165 6.544 1.00 0.00 O ATOM 1256 CB LEU A 81 2.363 0.099 5.151 1.00 0.00 C ATOM 1257 CG LEU A 81 1.029 -0.567 5.514 1.00 0.00 C ATOM 1258 CD1 LEU A 81 1.222 -2.058 5.737 1.00 0.00 C ATOM 1259 CD2 LEU A 81 0.409 0.079 6.745 1.00 0.00 C ATOM 0 H LEU A 81 2.051 2.379 6.025 1.00 0.00 H new ATOM 0 HA LEU A 81 3.020 -0.003 7.198 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.163 0.921 4.464 1.00 0.00 H new ATOM 0 HB3 LEU A 81 2.975 -0.624 4.612 1.00 0.00 H new ATOM 0 HG LEU A 81 0.344 -0.424 4.678 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.266 -2.514 5.994 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.609 -2.515 4.826 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.929 -2.216 6.551 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.535 -0.414 6.978 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.089 -0.022 7.591 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.228 1.136 6.549 1.00 0.00 H new ATOM 1271 N ALA A 82 5.072 1.508 5.082 1.00 0.00 N ATOM 1272 CA ALA A 82 6.474 1.587 4.680 1.00 0.00 C ATOM 1273 C ALA A 82 7.381 1.773 5.893 1.00 0.00 C ATOM 1274 O ALA A 82 8.259 0.953 6.156 1.00 0.00 O ATOM 1275 CB ALA A 82 6.678 2.720 3.686 1.00 0.00 C ATOM 0 H ALA A 82 4.458 2.173 4.613 1.00 0.00 H new ATOM 0 HA ALA A 82 6.742 0.647 4.198 1.00 0.00 H new ATOM 0 HB1 ALA A 82 7.728 2.765 3.396 1.00 0.00 H new ATOM 0 HB2 ALA A 82 6.065 2.543 2.802 1.00 0.00 H new ATOM 0 HB3 ALA A 82 6.387 3.664 4.146 1.00 0.00 H new ATOM 1281 N ARG A 83 7.161 2.860 6.628 1.00 0.00 N ATOM 1282 CA ARG A 83 7.955 3.159 7.815 1.00 0.00 C ATOM 1283 C ARG A 83 8.021 1.958 8.755 1.00 0.00 C ATOM 1284 O ARG A 83 9.023 1.747 9.441 1.00 0.00 O ATOM 1285 CB ARG A 83 7.370 4.365 8.553 1.00 0.00 C ATOM 1286 CG ARG A 83 7.504 5.672 7.786 1.00 0.00 C ATOM 1287 CD ARG A 83 7.964 6.806 8.687 1.00 0.00 C ATOM 1288 NE ARG A 83 8.130 8.059 7.952 1.00 0.00 N ATOM 1289 CZ ARG A 83 8.172 9.257 8.529 1.00 0.00 C ATOM 1290 NH1 ARG A 83 8.063 9.371 9.846 1.00 0.00 N ATOM 1291 NH2 ARG A 83 8.325 10.345 7.786 1.00 0.00 N ATOM 0 H ARG A 83 6.438 3.549 6.421 1.00 0.00 H new ATOM 0 HA ARG A 83 8.968 3.392 7.489 1.00 0.00 H new ATOM 0 HB2 ARG A 83 6.315 4.179 8.757 1.00 0.00 H new ATOM 0 HB3 ARG A 83 7.868 4.467 9.517 1.00 0.00 H new ATOM 0 HG2 ARG A 83 8.215 5.544 6.970 1.00 0.00 H new ATOM 0 HG3 ARG A 83 6.545 5.930 7.336 1.00 0.00 H new ATOM 0 HD2 ARG A 83 7.239 6.949 9.488 1.00 0.00 H new ATOM 0 HD3 ARG A 83 8.909 6.534 9.158 1.00 0.00 H new ATOM 0 HE ARG A 83 8.219 8.012 6.937 1.00 0.00 H new ATOM 0 HH11 ARG A 83 7.946 8.537 10.422 1.00 0.00 H new ATOM 0 HH12 ARG A 83 8.096 10.292 10.283 1.00 0.00 H new ATOM 0 HH21 ARG A 83 8.410 10.263 6.773 1.00 0.00 H new ATOM 0 HH22 ARG A 83 8.357 11.264 8.228 1.00 0.00 H new ATOM 1305 N GLN A 84 6.949 1.170 8.782 1.00 0.00 N ATOM 1306 CA GLN A 84 6.889 -0.009 9.637 1.00 0.00 C ATOM 1307 C GLN A 84 7.742 -1.139 9.068 1.00 0.00 C ATOM 1308 O GLN A 84 8.478 -1.805 9.797 1.00 0.00 O ATOM 1309 CB GLN A 84 5.441 -0.478 9.794 1.00 0.00 C ATOM 1310 CG GLN A 84 4.630 0.365 10.765 1.00 0.00 C ATOM 1311 CD GLN A 84 4.612 -0.216 12.165 1.00 0.00 C ATOM 1312 OE1 GLN A 84 3.605 -0.768 12.608 1.00 0.00 O ATOM 1313 NE2 GLN A 84 5.730 -0.091 12.872 1.00 0.00 N ATOM 0 H GLN A 84 6.112 1.328 8.222 1.00 0.00 H new ATOM 0 HA GLN A 84 7.284 0.263 10.616 1.00 0.00 H new ATOM 0 HB2 GLN A 84 4.955 -0.462 8.818 1.00 0.00 H new ATOM 0 HB3 GLN A 84 5.438 -1.513 10.135 1.00 0.00 H new ATOM 0 HG2 GLN A 84 5.044 1.373 10.799 1.00 0.00 H new ATOM 0 HG3 GLN A 84 3.607 0.452 10.398 1.00 0.00 H new ATOM 0 HE21 GLN A 84 6.541 0.374 12.465 1.00 0.00 H new ATOM 0 HE22 GLN A 84 5.777 -0.460 13.822 1.00 0.00 H new ATOM 1322 N LEU A 85 7.638 -1.347 7.759 1.00 0.00 N ATOM 1323 CA LEU A 85 8.401 -2.395 7.088 1.00 0.00 C ATOM 1324 C LEU A 85 9.902 -2.152 7.223 1.00 0.00 C ATOM 1325 O LEU A 85 10.670 -3.082 7.464 1.00 0.00 O ATOM 1326 CB LEU A 85 8.016 -2.473 5.607 1.00 0.00 C ATOM 1327 CG LEU A 85 6.809 -3.364 5.281 1.00 0.00 C ATOM 1328 CD1 LEU A 85 7.208 -4.832 5.315 1.00 0.00 C ATOM 1329 CD2 LEU A 85 5.654 -3.099 6.237 1.00 0.00 C ATOM 0 H LEU A 85 7.034 -0.804 7.142 1.00 0.00 H new ATOM 0 HA LEU A 85 8.161 -3.343 7.568 1.00 0.00 H new ATOM 0 HB2 LEU A 85 7.807 -1.464 5.251 1.00 0.00 H new ATOM 0 HB3 LEU A 85 8.876 -2.837 5.045 1.00 0.00 H new ATOM 0 HG LEU A 85 6.471 -3.119 4.274 1.00 0.00 H new ATOM 0 HD11 LEU A 85 6.341 -5.450 5.082 1.00 0.00 H new ATOM 0 HD12 LEU A 85 7.991 -5.013 4.579 1.00 0.00 H new ATOM 0 HD13 LEU A 85 7.578 -5.086 6.309 1.00 0.00 H new ATOM 0 HD21 LEU A 85 4.814 -3.745 5.981 1.00 0.00 H new ATOM 0 HD22 LEU A 85 5.973 -3.306 7.259 1.00 0.00 H new ATOM 0 HD23 LEU A 85 5.347 -2.056 6.157 1.00 0.00 H new ATOM 1341 N THR A 86 10.311 -0.897 7.066 1.00 0.00 N ATOM 1342 CA THR A 86 11.721 -0.534 7.169 1.00 0.00 C ATOM 1343 C THR A 86 12.238 -0.740 8.590 1.00 0.00 C ATOM 1344 O THR A 86 13.355 -1.217 8.793 1.00 0.00 O ATOM 1345 CB THR A 86 11.925 0.923 6.750 1.00 0.00 C ATOM 1346 OG1 THR A 86 10.908 1.335 5.856 1.00 0.00 O ATOM 1347 CG2 THR A 86 13.258 1.169 6.076 1.00 0.00 C ATOM 0 H THR A 86 9.687 -0.115 6.867 1.00 0.00 H new ATOM 0 HA THR A 86 12.285 -1.183 6.499 1.00 0.00 H new ATOM 0 HB THR A 86 11.892 1.498 7.675 1.00 0.00 H new ATOM 0 HG1 THR A 86 10.066 1.441 6.345 1.00 0.00 H new ATOM 0 HG21 THR A 86 13.339 2.221 5.804 1.00 0.00 H new ATOM 0 HG22 THR A 86 14.065 0.907 6.760 1.00 0.00 H new ATOM 0 HG23 THR A 86 13.330 0.555 5.178 1.00 0.00 H new ATOM 1355 N LYS A 87 11.425 -0.361 9.568 1.00 0.00 N ATOM 1356 CA LYS A 87 11.800 -0.487 10.973 1.00 0.00 C ATOM 1357 C LYS A 87 12.162 -1.926 11.340 1.00 0.00 C ATOM 1358 O LYS A 87 13.284 -2.200 11.766 1.00 0.00 O ATOM 1359 CB LYS A 87 10.660 0.005 11.867 1.00 0.00 C ATOM 1360 CG LYS A 87 10.788 1.469 12.265 1.00 0.00 C ATOM 1361 CD LYS A 87 10.802 1.638 13.776 1.00 0.00 C ATOM 1362 CE LYS A 87 11.801 2.701 14.207 1.00 0.00 C ATOM 1363 NZ LYS A 87 11.404 3.348 15.487 1.00 0.00 N ATOM 0 H LYS A 87 10.499 0.037 9.415 1.00 0.00 H new ATOM 0 HA LYS A 87 12.684 0.130 11.133 1.00 0.00 H new ATOM 0 HB2 LYS A 87 9.713 -0.140 11.347 1.00 0.00 H new ATOM 0 HB3 LYS A 87 10.626 -0.607 12.769 1.00 0.00 H new ATOM 0 HG2 LYS A 87 11.704 1.883 11.843 1.00 0.00 H new ATOM 0 HG3 LYS A 87 9.958 2.036 11.842 1.00 0.00 H new ATOM 0 HD2 LYS A 87 9.805 1.912 14.122 1.00 0.00 H new ATOM 0 HD3 LYS A 87 11.053 0.688 14.247 1.00 0.00 H new ATOM 0 HE2 LYS A 87 12.787 2.249 14.319 1.00 0.00 H new ATOM 0 HE3 LYS A 87 11.884 3.458 13.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 12.110 4.066 15.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 10.475 3.801 15.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 11.349 2.629 16.237 1.00 0.00 H new ATOM 1377 N HIS A 88 11.204 -2.836 11.196 1.00 0.00 N ATOM 1378 CA HIS A 88 11.427 -4.237 11.538 1.00 0.00 C ATOM 1379 C HIS A 88 12.437 -4.900 10.600 1.00 0.00 C ATOM 1380 O HIS A 88 13.284 -5.678 11.043 1.00 0.00 O ATOM 1381 CB HIS A 88 10.099 -5.008 11.535 1.00 0.00 C ATOM 1382 CG HIS A 88 9.666 -5.498 10.185 1.00 0.00 C ATOM 1383 ND1 HIS A 88 10.206 -6.431 9.365 1.00 0.00 N flip ATOM 1384 CD2 HIS A 88 8.543 -5.028 9.537 1.00 0.00 C flip ATOM 1385 CE1 HIS A 88 9.405 -6.508 8.252 1.00 0.00 C flip ATOM 1386 NE2 HIS A 88 8.409 -5.653 8.382 1.00 0.00 N flip ATOM 0 H HIS A 88 10.268 -2.630 10.846 1.00 0.00 H new ATOM 0 HA HIS A 88 11.849 -4.266 12.542 1.00 0.00 H new ATOM 0 HB2 HIS A 88 10.188 -5.862 12.206 1.00 0.00 H new ATOM 0 HB3 HIS A 88 9.319 -4.364 11.941 1.00 0.00 H new ATOM 0 HD1 HIS A 88 11.050 -6.975 9.541 1.00 0.00 H new ATOM 0 HD2 HIS A 88 7.877 -4.267 9.916 1.00 0.00 H new ATOM 0 HE1 HIS A 88 9.565 -7.162 7.408 1.00 0.00 H new ATOM 1395 N LYS A 89 12.345 -4.600 9.309 1.00 0.00 N ATOM 1396 CA LYS A 89 13.255 -5.186 8.329 1.00 0.00 C ATOM 1397 C LYS A 89 14.691 -4.707 8.547 1.00 0.00 C ATOM 1398 O LYS A 89 15.638 -5.317 8.050 1.00 0.00 O ATOM 1399 CB LYS A 89 12.793 -4.863 6.902 1.00 0.00 C ATOM 1400 CG LYS A 89 13.170 -3.468 6.426 1.00 0.00 C ATOM 1401 CD LYS A 89 14.370 -3.502 5.494 1.00 0.00 C ATOM 1402 CE LYS A 89 15.287 -2.311 5.723 1.00 0.00 C ATOM 1403 NZ LYS A 89 16.223 -2.104 4.583 1.00 0.00 N ATOM 0 H LYS A 89 11.655 -3.959 8.918 1.00 0.00 H new ATOM 0 HA LYS A 89 13.238 -6.267 8.465 1.00 0.00 H new ATOM 0 HB2 LYS A 89 13.221 -5.596 6.219 1.00 0.00 H new ATOM 0 HB3 LYS A 89 11.710 -4.973 6.849 1.00 0.00 H new ATOM 0 HG2 LYS A 89 12.322 -3.016 5.912 1.00 0.00 H new ATOM 0 HG3 LYS A 89 13.394 -2.837 7.286 1.00 0.00 H new ATOM 0 HD2 LYS A 89 14.927 -4.426 5.649 1.00 0.00 H new ATOM 0 HD3 LYS A 89 14.028 -3.506 4.459 1.00 0.00 H new ATOM 0 HE2 LYS A 89 14.687 -1.413 5.867 1.00 0.00 H new ATOM 0 HE3 LYS A 89 15.858 -2.463 6.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 16.831 -1.283 4.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 16.814 -2.951 4.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 15.679 -1.933 3.713 1.00 0.00 H new ATOM 1417 N ASP A 90 14.849 -3.616 9.293 1.00 0.00 N ATOM 1418 CA ASP A 90 16.172 -3.069 9.572 1.00 0.00 C ATOM 1419 C ASP A 90 16.871 -3.879 10.659 1.00 0.00 C ATOM 1420 O ASP A 90 18.084 -4.087 10.612 1.00 0.00 O ATOM 1421 CB ASP A 90 16.062 -1.605 10.000 1.00 0.00 C ATOM 1422 CG ASP A 90 16.360 -0.646 8.862 1.00 0.00 C ATOM 1423 OD1 ASP A 90 15.595 -0.639 7.877 1.00 0.00 O ATOM 1424 OD2 ASP A 90 17.360 0.096 8.959 1.00 0.00 O ATOM 0 H ASP A 90 14.079 -3.096 9.713 1.00 0.00 H new ATOM 0 HA ASP A 90 16.765 -3.127 8.659 1.00 0.00 H new ATOM 0 HB2 ASP A 90 15.058 -1.414 10.379 1.00 0.00 H new ATOM 0 HB3 ASP A 90 16.754 -1.416 10.821 1.00 0.00 H new ATOM 1429 N LYS A 91 16.096 -4.336 11.637 1.00 0.00 N ATOM 1430 CA LYS A 91 16.636 -5.125 12.738 1.00 0.00 C ATOM 1431 C LYS A 91 17.324 -6.385 12.223 1.00 0.00 C ATOM 1432 O LYS A 91 18.485 -6.643 12.537 1.00 0.00 O ATOM 1433 CB LYS A 91 15.522 -5.505 13.715 1.00 0.00 C ATOM 1434 CG LYS A 91 15.081 -4.359 14.612 1.00 0.00 C ATOM 1435 CD LYS A 91 13.594 -4.078 14.472 1.00 0.00 C ATOM 1436 CE LYS A 91 13.091 -3.164 15.578 1.00 0.00 C ATOM 1437 NZ LYS A 91 12.870 -1.774 15.092 1.00 0.00 N ATOM 0 H LYS A 91 15.090 -4.173 11.689 1.00 0.00 H new ATOM 0 HA LYS A 91 17.376 -4.515 13.257 1.00 0.00 H new ATOM 0 HB2 LYS A 91 14.662 -5.865 13.150 1.00 0.00 H new ATOM 0 HB3 LYS A 91 15.863 -6.332 14.338 1.00 0.00 H new ATOM 0 HG2 LYS A 91 15.310 -4.600 15.650 1.00 0.00 H new ATOM 0 HG3 LYS A 91 15.646 -3.462 14.361 1.00 0.00 H new ATOM 0 HD2 LYS A 91 13.400 -3.619 13.503 1.00 0.00 H new ATOM 0 HD3 LYS A 91 13.042 -5.017 14.496 1.00 0.00 H new ATOM 0 HE2 LYS A 91 12.159 -3.560 15.981 1.00 0.00 H new ATOM 0 HE3 LYS A 91 13.812 -3.152 16.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 12.527 -1.183 15.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 13.765 -1.386 14.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 12.163 -1.781 14.329 1.00 0.00 H new ATOM 1451 N LEU A 92 16.597 -7.166 11.430 1.00 0.00 N ATOM 1452 CA LEU A 92 17.137 -8.399 10.872 1.00 0.00 C ATOM 1453 C LEU A 92 17.959 -8.116 9.617 1.00 0.00 C ATOM 1454 O LEU A 92 17.625 -8.576 8.526 1.00 0.00 O ATOM 1455 CB LEU A 92 16.004 -9.376 10.547 1.00 0.00 C ATOM 1456 CG LEU A 92 15.050 -9.670 11.709 1.00 0.00 C ATOM 1457 CD1 LEU A 92 13.754 -8.889 11.548 1.00 0.00 C ATOM 1458 CD2 LEU A 92 14.765 -11.162 11.801 1.00 0.00 C ATOM 0 H LEU A 92 15.634 -6.967 11.160 1.00 0.00 H new ATOM 0 HA LEU A 92 17.792 -8.849 11.618 1.00 0.00 H new ATOM 0 HB2 LEU A 92 15.426 -8.975 9.715 1.00 0.00 H new ATOM 0 HB3 LEU A 92 16.441 -10.316 10.208 1.00 0.00 H new ATOM 0 HG LEU A 92 15.530 -9.353 12.635 1.00 0.00 H new ATOM 0 HD11 LEU A 92 13.089 -9.111 12.383 1.00 0.00 H new ATOM 0 HD12 LEU A 92 13.972 -7.821 11.532 1.00 0.00 H new ATOM 0 HD13 LEU A 92 13.271 -9.175 10.614 1.00 0.00 H new ATOM 0 HD21 LEU A 92 14.086 -11.352 12.632 1.00 0.00 H new ATOM 0 HD22 LEU A 92 14.307 -11.503 10.873 1.00 0.00 H new ATOM 0 HD23 LEU A 92 15.698 -11.701 11.965 1.00 0.00 H new ATOM 1470 N LYS A 93 19.036 -7.355 9.782 1.00 0.00 N ATOM 1471 CA LYS A 93 19.906 -7.010 8.663 1.00 0.00 C ATOM 1472 C LYS A 93 21.001 -8.058 8.485 1.00 0.00 C ATOM 1473 O LYS A 93 21.324 -8.797 9.415 1.00 0.00 O ATOM 1474 CB LYS A 93 20.531 -5.630 8.885 1.00 0.00 C ATOM 1475 CG LYS A 93 19.893 -4.533 8.047 1.00 0.00 C ATOM 1476 CD LYS A 93 20.893 -3.441 7.705 1.00 0.00 C ATOM 1477 CE LYS A 93 21.434 -2.768 8.956 1.00 0.00 C ATOM 1478 NZ LYS A 93 20.559 -1.649 9.407 1.00 0.00 N ATOM 0 H LYS A 93 19.327 -6.966 10.679 1.00 0.00 H new ATOM 0 HA LYS A 93 19.302 -6.985 7.756 1.00 0.00 H new ATOM 0 HB2 LYS A 93 20.446 -5.367 9.939 1.00 0.00 H new ATOM 0 HB3 LYS A 93 21.595 -5.680 8.654 1.00 0.00 H new ATOM 0 HG2 LYS A 93 19.492 -4.962 7.128 1.00 0.00 H new ATOM 0 HG3 LYS A 93 19.052 -4.101 8.590 1.00 0.00 H new ATOM 0 HD2 LYS A 93 21.718 -3.868 7.135 1.00 0.00 H new ATOM 0 HD3 LYS A 93 20.416 -2.696 7.068 1.00 0.00 H new ATOM 0 HE2 LYS A 93 21.523 -3.504 9.755 1.00 0.00 H new ATOM 0 HE3 LYS A 93 22.437 -2.388 8.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 20.962 -1.216 10.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 20.494 -0.934 8.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 19.609 -2.015 9.619 1.00 0.00 H new ATOM 1492 N GLN A 94 21.567 -8.117 7.285 1.00 0.00 N ATOM 1493 CA GLN A 94 22.625 -9.075 6.984 1.00 0.00 C ATOM 1494 C GLN A 94 23.825 -8.865 7.903 1.00 0.00 C ATOM 1495 O GLN A 94 24.650 -7.980 7.673 1.00 0.00 O ATOM 1496 CB GLN A 94 23.059 -8.945 5.524 1.00 0.00 C ATOM 1497 CG GLN A 94 23.502 -7.541 5.142 1.00 0.00 C ATOM 1498 CD GLN A 94 22.773 -7.009 3.924 1.00 0.00 C ATOM 1499 OE1 GLN A 94 22.890 -7.555 2.828 1.00 0.00 O ATOM 1500 NE2 GLN A 94 22.013 -5.936 4.112 1.00 0.00 N ATOM 0 H GLN A 94 21.311 -7.513 6.504 1.00 0.00 H new ATOM 0 HA GLN A 94 22.232 -10.078 7.151 1.00 0.00 H new ATOM 0 HB2 GLN A 94 23.878 -9.639 5.334 1.00 0.00 H new ATOM 0 HB3 GLN A 94 22.232 -9.244 4.880 1.00 0.00 H new ATOM 0 HG2 GLN A 94 23.333 -6.869 5.984 1.00 0.00 H new ATOM 0 HG3 GLN A 94 24.574 -7.543 4.946 1.00 0.00 H new ATOM 0 HE21 GLN A 94 21.945 -5.515 5.039 1.00 0.00 H new ATOM 0 HE22 GLN A 94 21.497 -5.533 3.330 1.00 0.00 H new ATOM 1509 N HIS A 95 23.917 -9.686 8.945 1.00 0.00 N ATOM 1510 CA HIS A 95 25.015 -9.590 9.899 1.00 0.00 C ATOM 1511 C HIS A 95 26.272 -10.262 9.352 1.00 0.00 C ATOM 1512 O HIS A 95 26.150 -11.370 8.788 1.00 0.00 O ATOM 1513 CB HIS A 95 24.616 -10.227 11.232 1.00 0.00 C ATOM 1514 CG HIS A 95 24.860 -9.340 12.414 1.00 0.00 C ATOM 1515 ND1 HIS A 95 25.969 -9.452 13.226 1.00 0.00 N ATOM 1516 CD2 HIS A 95 24.127 -8.321 12.922 1.00 0.00 C ATOM 1517 CE1 HIS A 95 25.909 -8.542 14.179 1.00 0.00 C ATOM 1518 NE2 HIS A 95 24.801 -7.842 14.018 1.00 0.00 N ATOM 1519 OXT HIS A 95 27.364 -9.675 9.491 1.00 0.00 O ATOM 0 H HIS A 95 23.244 -10.425 9.149 1.00 0.00 H new ATOM 0 HA HIS A 95 25.233 -8.534 10.061 1.00 0.00 H new ATOM 0 HB2 HIS A 95 23.559 -10.491 11.198 1.00 0.00 H new ATOM 0 HB3 HIS A 95 25.172 -11.155 11.363 1.00 0.00 H new ATOM 0 HD2 HIS A 95 23.187 -7.954 12.537 1.00 0.00 H new ATOM 0 HE1 HIS A 95 26.642 -8.394 14.959 1.00 0.00 H new ATOM 0 HE2 HIS A 95 24.495 -7.071 14.611 1.00 0.00 H new TER 1528 HIS A 95