USER MOD reduce.3.24.130724 H: found=0, std=0, add=697, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 698 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 53 THR OG1 : rot -61:sc= 1.32 USER MOD Set 1.2: A 62 HIS :FLIP no HD1:sc= 1.02 F(o=-2.3,f=2.3) USER MOD Set 2.1: A 38 TYR OH : rot 4:sc= 0.0856 USER MOD Set 2.2: A 55 HIS : no HE2:sc= -0.567 K(o=-0.48,f=-1.3) 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 USER MOD Single : A 8 ASN : amide:sc= -2.61 K(o=-2.6,f=-15!) USER MOD Single : A 9 ASN :FLIP amide:sc= 0.302 F(o=-0.67,f=0.3) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.00309 USER MOD Single : A 21 THR OG1 : rot 78:sc= 0.745 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= -0.0919 X(o=-0.092,f=0) USER MOD Single : A 30 TYR OH : rot 180:sc= -1.04 USER MOD Single : A 35 ASN : amide:sc= -1.48 K(o=-1.5,f=-7.6!) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 LYS NZ :NH3+ 160:sc= 0.00612 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 152:sc= -0.0777 (180deg=-0.546) USER MOD Single : A 47 THR OG1 : rot 180:sc=-0.000909 USER MOD Single : A 48 HIS : no HD1:sc= -5.23! C(o=-5.2!,f=-5.8!) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot -160:sc= -0.465 USER MOD Single : A 57 ASN : amide:sc=-0.00666 X(o=-0.0067,f=-0.38) USER MOD Single : A 64 SER OG : rot -25:sc= 0.893 USER MOD Single : A 68 GLN : amide:sc= -0.296 X(o=-0.3,f=-0.08) USER MOD Single : A 70 MET CE :methyl 153:sc= -6.02 (180deg=-8.69!) USER MOD Single : A 71 TYR OH : rot 180:sc= -0.0644 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= -0.154 X(o=-0.15,f=-0.045) USER MOD Single : A 86 THR OG1 : rot -78:sc= 0.854 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 HIS :FLIP no HE2:sc= -4.65! C(o=-9.1!,f=-4.7!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 37 N LEU A 3 0.110 -10.788 -4.582 1.00 0.00 N ATOM 38 CA LEU A 3 -0.653 -9.715 -3.954 1.00 0.00 C ATOM 39 C LEU A 3 -1.931 -9.429 -4.735 1.00 0.00 C ATOM 40 O LEU A 3 -1.947 -9.494 -5.964 1.00 0.00 O ATOM 41 CB LEU A 3 0.198 -8.445 -3.840 1.00 0.00 C ATOM 42 CG LEU A 3 0.409 -7.671 -5.146 1.00 0.00 C ATOM 43 CD1 LEU A 3 0.686 -6.205 -4.854 1.00 0.00 C ATOM 44 CD2 LEU A 3 1.545 -8.283 -5.953 1.00 0.00 C ATOM 0 HA LEU A 3 -0.930 -10.039 -2.951 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -0.270 -7.779 -3.115 1.00 0.00 H new ATOM 0 HB3 LEU A 3 1.174 -8.718 -3.438 1.00 0.00 H new ATOM 0 HG LEU A 3 -0.503 -7.737 -5.739 1.00 0.00 H new ATOM 0 HD11 LEU A 3 0.834 -5.669 -5.791 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -0.160 -5.774 -4.319 1.00 0.00 H new ATOM 0 HD13 LEU A 3 1.584 -6.119 -4.242 1.00 0.00 H new ATOM 0 HD21 LEU A 3 1.680 -7.720 -6.877 1.00 0.00 H new ATOM 0 HD22 LEU A 3 2.465 -8.249 -5.370 1.00 0.00 H new ATOM 0 HD23 LEU A 3 1.305 -9.319 -6.192 1.00 0.00 H new ATOM 56 N ASN A 4 -3.004 -9.118 -4.014 1.00 0.00 N ATOM 57 CA ASN A 4 -4.288 -8.827 -4.642 1.00 0.00 C ATOM 58 C ASN A 4 -5.048 -7.760 -3.862 1.00 0.00 C ATOM 59 O ASN A 4 -4.684 -7.421 -2.737 1.00 0.00 O ATOM 60 CB ASN A 4 -5.128 -10.101 -4.738 1.00 0.00 C ATOM 61 CG ASN A 4 -5.792 -10.256 -6.093 1.00 0.00 C ATOM 62 OD1 ASN A 4 -6.944 -9.864 -6.282 1.00 0.00 O ATOM 63 ND2 ASN A 4 -5.065 -10.830 -7.046 1.00 0.00 N ATOM 0 H ASN A 4 -3.010 -9.061 -2.996 1.00 0.00 H new ATOM 0 HA ASN A 4 -4.097 -8.447 -5.646 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -4.494 -10.966 -4.546 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -5.893 -10.088 -3.961 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -5.458 -10.961 -7.978 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -4.114 -11.140 -6.845 1.00 0.00 H new ATOM 70 N ILE A 5 -6.108 -7.235 -4.468 1.00 0.00 N ATOM 71 CA ILE A 5 -6.923 -6.207 -3.831 1.00 0.00 C ATOM 72 C ILE A 5 -8.393 -6.611 -3.818 1.00 0.00 C ATOM 73 O ILE A 5 -8.844 -7.368 -4.677 1.00 0.00 O ATOM 74 CB ILE A 5 -6.795 -4.844 -4.544 1.00 0.00 C ATOM 75 CG1 ILE A 5 -5.390 -4.659 -5.122 1.00 0.00 C ATOM 76 CG2 ILE A 5 -7.128 -3.713 -3.582 1.00 0.00 C ATOM 77 CD1 ILE A 5 -5.239 -3.390 -5.932 1.00 0.00 C ATOM 0 H ILE A 5 -6.423 -7.505 -5.400 1.00 0.00 H new ATOM 0 HA ILE A 5 -6.553 -6.107 -2.810 1.00 0.00 H new ATOM 0 HB ILE A 5 -7.506 -4.822 -5.370 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -4.667 -4.649 -4.306 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -5.148 -5.515 -5.752 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -7.034 -2.757 -4.098 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -8.150 -3.831 -3.221 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -6.439 -3.739 -2.737 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -4.220 -3.320 -6.313 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -5.938 -3.407 -6.768 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -5.450 -2.528 -5.300 1.00 0.00 H new ATOM 89 N THR A 6 -9.140 -6.092 -2.850 1.00 0.00 N ATOM 90 CA THR A 6 -10.561 -6.389 -2.737 1.00 0.00 C ATOM 91 C THR A 6 -11.354 -5.095 -2.599 1.00 0.00 C ATOM 92 O THR A 6 -11.155 -4.332 -1.653 1.00 0.00 O ATOM 93 CB THR A 6 -10.823 -7.297 -1.534 1.00 0.00 C ATOM 94 OG1 THR A 6 -9.745 -8.195 -1.338 1.00 0.00 O ATOM 95 CG2 THR A 6 -12.086 -8.120 -1.671 1.00 0.00 C ATOM 0 H THR A 6 -8.783 -5.462 -2.131 1.00 0.00 H new ATOM 0 HA THR A 6 -10.882 -6.908 -3.640 1.00 0.00 H new ATOM 0 HB THR A 6 -10.936 -6.624 -0.684 1.00 0.00 H new ATOM 0 HG1 THR A 6 -9.931 -8.765 -0.563 1.00 0.00 H new ATOM 0 HG21 THR A 6 -12.213 -8.742 -0.785 1.00 0.00 H new ATOM 0 HG22 THR A 6 -12.944 -7.456 -1.774 1.00 0.00 H new ATOM 0 HG23 THR A 6 -12.012 -8.756 -2.553 1.00 0.00 H new ATOM 103 N GLY A 7 -12.243 -4.843 -3.553 1.00 0.00 N ATOM 104 CA GLY A 7 -13.036 -3.630 -3.520 1.00 0.00 C ATOM 105 C GLY A 7 -14.449 -3.856 -3.020 1.00 0.00 C ATOM 106 O GLY A 7 -15.193 -4.663 -3.578 1.00 0.00 O ATOM 0 H GLY A 7 -12.428 -5.456 -4.347 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -12.543 -2.898 -2.880 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.076 -3.202 -4.522 1.00 0.00 H new ATOM 110 N ASN A 8 -14.823 -3.126 -1.975 1.00 0.00 N ATOM 111 CA ASN A 8 -16.161 -3.229 -1.403 1.00 0.00 C ATOM 112 C ASN A 8 -16.911 -1.914 -1.587 1.00 0.00 C ATOM 113 O ASN A 8 -16.582 -0.908 -0.959 1.00 0.00 O ATOM 114 CB ASN A 8 -16.087 -3.590 0.085 1.00 0.00 C ATOM 115 CG ASN A 8 -15.027 -2.799 0.827 1.00 0.00 C ATOM 116 OD1 ASN A 8 -14.331 -1.970 0.245 1.00 0.00 O ATOM 117 ND2 ASN A 8 -14.897 -3.057 2.124 1.00 0.00 N ATOM 0 H ASN A 8 -14.216 -2.454 -1.505 1.00 0.00 H new ATOM 0 HA ASN A 8 -16.699 -4.021 -1.923 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -17.058 -3.411 0.547 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -15.877 -4.655 0.186 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -14.199 -2.559 2.676 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -15.496 -3.753 2.568 1.00 0.00 H new ATOM 124 N ASN A 9 -17.912 -1.924 -2.463 1.00 0.00 N ATOM 125 CA ASN A 9 -18.698 -0.726 -2.741 1.00 0.00 C ATOM 126 C ASN A 9 -17.862 0.290 -3.514 1.00 0.00 C ATOM 127 O ASN A 9 -18.066 1.500 -3.392 1.00 0.00 O ATOM 128 CB ASN A 9 -19.214 -0.102 -1.442 1.00 0.00 C ATOM 129 CG ASN A 9 -20.340 0.885 -1.680 1.00 0.00 C ATOM 130 OD1 ASN A 9 -21.543 0.368 -1.902 1.00 0.00 O flip ATOM 131 ND2 ASN A 9 -20.130 2.097 -1.666 1.00 0.00 N flip ATOM 0 H ASN A 9 -18.198 -2.748 -2.992 1.00 0.00 H new ATOM 0 HA ASN A 9 -19.555 -1.015 -3.350 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -19.562 -0.892 -0.776 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -18.393 0.404 -0.934 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -19.189 2.450 -1.491 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -20.897 2.749 -1.829 1.00 0.00 H new ATOM 138 N VAL A 10 -16.926 -0.212 -4.313 1.00 0.00 N ATOM 139 CA VAL A 10 -16.057 0.642 -5.115 1.00 0.00 C ATOM 140 C VAL A 10 -15.605 -0.080 -6.381 1.00 0.00 C ATOM 141 O VAL A 10 -15.229 -1.251 -6.338 1.00 0.00 O ATOM 142 CB VAL A 10 -14.822 1.098 -4.317 1.00 0.00 C ATOM 143 CG1 VAL A 10 -14.002 -0.101 -3.880 1.00 0.00 C ATOM 144 CG2 VAL A 10 -13.977 2.062 -5.137 1.00 0.00 C ATOM 0 H VAL A 10 -16.749 -1.211 -4.423 1.00 0.00 H new ATOM 0 HA VAL A 10 -16.638 1.522 -5.390 1.00 0.00 H new ATOM 0 HB VAL A 10 -15.163 1.624 -3.425 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -13.133 0.238 -3.317 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -14.612 -0.749 -3.250 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -13.672 -0.656 -4.758 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -13.110 2.372 -4.554 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -13.643 1.568 -6.050 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -14.572 2.938 -5.395 1.00 0.00 H new ATOM 154 N GLU A 11 -15.648 0.623 -7.508 1.00 0.00 N ATOM 155 CA GLU A 11 -15.246 0.043 -8.786 1.00 0.00 C ATOM 156 C GLU A 11 -13.727 0.042 -8.937 1.00 0.00 C ATOM 157 O GLU A 11 -13.090 1.096 -8.925 1.00 0.00 O ATOM 158 CB GLU A 11 -15.888 0.814 -9.941 1.00 0.00 C ATOM 159 CG GLU A 11 -17.066 0.091 -10.575 1.00 0.00 C ATOM 160 CD GLU A 11 -16.733 -0.484 -11.936 1.00 0.00 C ATOM 161 OE1 GLU A 11 -16.077 0.218 -12.735 1.00 0.00 O ATOM 162 OE2 GLU A 11 -17.130 -1.637 -12.208 1.00 0.00 O ATOM 0 H GLU A 11 -15.957 1.594 -7.563 1.00 0.00 H new ATOM 0 HA GLU A 11 -15.591 -0.991 -8.811 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -16.222 1.786 -9.577 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -15.134 1.002 -10.705 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -17.392 -0.713 -9.915 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -17.903 0.783 -10.672 1.00 0.00 H new ATOM 169 N ILE A 12 -13.153 -1.149 -9.085 1.00 0.00 N ATOM 170 CA ILE A 12 -11.711 -1.291 -9.246 1.00 0.00 C ATOM 171 C ILE A 12 -11.312 -1.115 -10.709 1.00 0.00 C ATOM 172 O ILE A 12 -11.424 -2.042 -11.510 1.00 0.00 O ATOM 173 CB ILE A 12 -11.221 -2.668 -8.742 1.00 0.00 C ATOM 174 CG1 ILE A 12 -11.391 -2.767 -7.222 1.00 0.00 C ATOM 175 CG2 ILE A 12 -9.767 -2.909 -9.138 1.00 0.00 C ATOM 176 CD1 ILE A 12 -10.336 -2.012 -6.438 1.00 0.00 C ATOM 0 H ILE A 12 -13.666 -2.030 -9.097 1.00 0.00 H new ATOM 0 HA ILE A 12 -11.239 -0.512 -8.647 1.00 0.00 H new ATOM 0 HB ILE A 12 -11.828 -3.441 -9.212 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -12.375 -2.385 -6.950 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -11.365 -3.817 -6.930 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -9.447 -3.884 -8.771 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -9.676 -2.882 -10.224 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -9.138 -2.133 -8.702 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -10.523 -2.129 -5.371 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -9.350 -2.409 -6.679 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -10.376 -0.955 -6.699 1.00 0.00 H new ATOM 188 N THR A 13 -10.841 0.080 -11.049 1.00 0.00 N ATOM 189 CA THR A 13 -10.422 0.378 -12.414 1.00 0.00 C ATOM 190 C THR A 13 -8.911 0.237 -12.555 1.00 0.00 C ATOM 191 O THR A 13 -8.164 0.515 -11.618 1.00 0.00 O ATOM 192 CB THR A 13 -10.856 1.789 -12.807 1.00 0.00 C ATOM 193 OG1 THR A 13 -10.072 2.760 -12.138 1.00 0.00 O ATOM 194 CG2 THR A 13 -12.309 2.077 -12.493 1.00 0.00 C ATOM 0 H THR A 13 -10.740 0.858 -10.398 1.00 0.00 H new ATOM 0 HA THR A 13 -10.901 -0.337 -13.083 1.00 0.00 H new ATOM 0 HB THR A 13 -10.716 1.844 -13.887 1.00 0.00 H new ATOM 0 HG1 THR A 13 -10.364 3.657 -12.404 1.00 0.00 H new ATOM 0 HG21 THR A 13 -12.552 3.095 -12.797 1.00 0.00 H new ATOM 0 HG22 THR A 13 -12.944 1.376 -13.034 1.00 0.00 H new ATOM 0 HG23 THR A 13 -12.478 1.968 -11.422 1.00 0.00 H new ATOM 202 N GLU A 14 -8.468 -0.207 -13.733 1.00 0.00 N ATOM 203 CA GLU A 14 -7.045 -0.401 -14.011 1.00 0.00 C ATOM 204 C GLU A 14 -6.185 0.695 -13.384 1.00 0.00 C ATOM 205 O GLU A 14 -5.056 0.442 -12.964 1.00 0.00 O ATOM 206 CB GLU A 14 -6.804 -0.444 -15.521 1.00 0.00 C ATOM 207 CG GLU A 14 -7.594 -1.530 -16.232 1.00 0.00 C ATOM 208 CD GLU A 14 -7.118 -1.761 -17.654 1.00 0.00 C ATOM 209 OE1 GLU A 14 -6.465 -0.856 -18.215 1.00 0.00 O ATOM 210 OE2 GLU A 14 -7.400 -2.846 -18.205 1.00 0.00 O ATOM 0 H GLU A 14 -9.080 -0.440 -14.515 1.00 0.00 H new ATOM 0 HA GLU A 14 -6.753 -1.351 -13.564 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -7.065 0.523 -15.950 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.741 -0.599 -15.707 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -7.513 -2.460 -15.670 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -8.649 -1.257 -16.246 1.00 0.00 H new ATOM 217 N ALA A 15 -6.723 1.908 -13.319 1.00 0.00 N ATOM 218 CA ALA A 15 -5.998 3.032 -12.739 1.00 0.00 C ATOM 219 C ALA A 15 -5.927 2.913 -11.222 1.00 0.00 C ATOM 220 O ALA A 15 -4.859 3.063 -10.627 1.00 0.00 O ATOM 221 CB ALA A 15 -6.655 4.345 -13.138 1.00 0.00 C ATOM 0 H ALA A 15 -7.656 2.138 -13.660 1.00 0.00 H new ATOM 0 HA ALA A 15 -4.979 3.016 -13.127 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -6.104 5.176 -12.698 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -6.649 4.440 -14.224 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -7.684 4.361 -12.778 1.00 0.00 H new ATOM 227 N LEU A 16 -7.070 2.645 -10.599 1.00 0.00 N ATOM 228 CA LEU A 16 -7.139 2.506 -9.149 1.00 0.00 C ATOM 229 C LEU A 16 -6.203 1.407 -8.656 1.00 0.00 C ATOM 230 O LEU A 16 -5.227 1.675 -7.956 1.00 0.00 O ATOM 231 CB LEU A 16 -8.576 2.204 -8.714 1.00 0.00 C ATOM 232 CG LEU A 16 -8.914 2.600 -7.277 1.00 0.00 C ATOM 233 CD1 LEU A 16 -8.120 1.757 -6.289 1.00 0.00 C ATOM 234 CD2 LEU A 16 -8.642 4.082 -7.056 1.00 0.00 C ATOM 0 H LEU A 16 -7.962 2.520 -11.077 1.00 0.00 H new ATOM 0 HA LEU A 16 -6.821 3.449 -8.705 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -9.259 2.721 -9.387 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -8.759 1.136 -8.833 1.00 0.00 H new ATOM 0 HG LEU A 16 -9.975 2.415 -7.109 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -8.374 2.053 -5.271 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -8.363 0.704 -6.432 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -7.054 1.909 -6.456 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -8.888 4.348 -6.028 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -7.588 4.290 -7.243 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -9.255 4.670 -7.739 1.00 0.00 H new ATOM 246 N ARG A 17 -6.510 0.165 -9.027 1.00 0.00 N ATOM 247 CA ARG A 17 -5.695 -0.977 -8.619 1.00 0.00 C ATOM 248 C ARG A 17 -4.213 -0.717 -8.880 1.00 0.00 C ATOM 249 O ARG A 17 -3.357 -1.095 -8.080 1.00 0.00 O ATOM 250 CB ARG A 17 -6.141 -2.245 -9.354 1.00 0.00 C ATOM 251 CG ARG A 17 -6.427 -2.029 -10.832 1.00 0.00 C ATOM 252 CD ARG A 17 -5.888 -3.169 -11.680 1.00 0.00 C ATOM 253 NE ARG A 17 -4.426 -3.207 -11.688 1.00 0.00 N ATOM 254 CZ ARG A 17 -3.693 -4.020 -10.926 1.00 0.00 C ATOM 255 NH1 ARG A 17 -4.274 -4.863 -10.081 1.00 0.00 N ATOM 256 NH2 ARG A 17 -2.370 -3.987 -11.009 1.00 0.00 N ATOM 0 H ARG A 17 -7.314 -0.075 -9.607 1.00 0.00 H new ATOM 0 HA ARG A 17 -5.835 -1.120 -7.548 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -5.367 -3.005 -9.251 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -7.038 -2.636 -8.873 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -7.502 -1.938 -10.985 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -5.978 -1.090 -11.156 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -6.272 -4.116 -11.300 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -6.253 -3.064 -12.702 1.00 0.00 H new ATOM 0 HE ARG A 17 -3.935 -2.571 -12.317 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -5.291 -4.894 -10.010 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -3.703 -5.480 -9.503 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -1.915 -3.341 -11.654 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -1.807 -4.608 -10.427 1.00 0.00 H new ATOM 270 N GLU A 18 -3.919 -0.067 -10.002 1.00 0.00 N ATOM 271 CA GLU A 18 -2.541 0.244 -10.362 1.00 0.00 C ATOM 272 C GLU A 18 -1.908 1.175 -9.335 1.00 0.00 C ATOM 273 O GLU A 18 -0.759 0.987 -8.938 1.00 0.00 O ATOM 274 CB GLU A 18 -2.487 0.884 -11.751 1.00 0.00 C ATOM 275 CG GLU A 18 -2.377 -0.126 -12.883 1.00 0.00 C ATOM 276 CD GLU A 18 -1.081 -0.912 -12.839 1.00 0.00 C ATOM 277 OE1 GLU A 18 -0.124 -0.444 -12.188 1.00 0.00 O ATOM 278 OE2 GLU A 18 -1.024 -1.997 -13.456 1.00 0.00 O ATOM 0 H GLU A 18 -4.615 0.254 -10.675 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.976 -0.688 -10.377 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.383 1.487 -11.899 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.635 1.562 -11.796 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -3.219 -0.817 -12.832 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.450 0.395 -13.838 1.00 0.00 H new ATOM 285 N PHE A 19 -2.663 2.186 -8.912 1.00 0.00 N ATOM 286 CA PHE A 19 -2.173 3.150 -7.931 1.00 0.00 C ATOM 287 C PHE A 19 -1.703 2.452 -6.659 1.00 0.00 C ATOM 288 O PHE A 19 -0.622 2.741 -6.146 1.00 0.00 O ATOM 289 CB PHE A 19 -3.268 4.164 -7.593 1.00 0.00 C ATOM 290 CG PHE A 19 -2.806 5.267 -6.685 1.00 0.00 C ATOM 291 CD1 PHE A 19 -2.767 5.082 -5.313 1.00 0.00 C ATOM 292 CD2 PHE A 19 -2.410 6.490 -7.204 1.00 0.00 C ATOM 293 CE1 PHE A 19 -2.342 6.094 -4.475 1.00 0.00 C ATOM 294 CE2 PHE A 19 -1.984 7.506 -6.371 1.00 0.00 C ATOM 295 CZ PHE A 19 -1.949 7.308 -5.004 1.00 0.00 C ATOM 0 H PHE A 19 -3.616 2.359 -9.233 1.00 0.00 H new ATOM 0 HA PHE A 19 -1.322 3.671 -8.370 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -3.646 4.600 -8.518 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -4.102 3.643 -7.123 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -3.073 4.135 -4.893 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -2.435 6.650 -8.272 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -2.317 5.936 -3.407 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -1.679 8.454 -6.788 1.00 0.00 H new ATOM 0 HZ PHE A 19 -1.615 8.101 -4.351 1.00 0.00 H new ATOM 305 N VAL A 20 -2.520 1.532 -6.155 1.00 0.00 N ATOM 306 CA VAL A 20 -2.180 0.797 -4.941 1.00 0.00 C ATOM 307 C VAL A 20 -0.902 -0.012 -5.134 1.00 0.00 C ATOM 308 O VAL A 20 0.006 0.036 -4.305 1.00 0.00 O ATOM 309 CB VAL A 20 -3.317 -0.152 -4.517 1.00 0.00 C ATOM 310 CG1 VAL A 20 -3.014 -0.775 -3.163 1.00 0.00 C ATOM 311 CG2 VAL A 20 -4.649 0.585 -4.488 1.00 0.00 C ATOM 0 H VAL A 20 -3.418 1.278 -6.566 1.00 0.00 H new ATOM 0 HA VAL A 20 -2.027 1.537 -4.155 1.00 0.00 H new ATOM 0 HB VAL A 20 -3.389 -0.953 -5.253 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.828 -1.442 -2.879 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -2.084 -1.341 -3.223 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.912 0.011 -2.415 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -5.439 -0.103 -4.186 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -4.594 1.409 -3.776 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -4.869 0.977 -5.481 1.00 0.00 H new ATOM 321 N THR A 21 -0.837 -0.752 -6.238 1.00 0.00 N ATOM 322 CA THR A 21 0.333 -1.567 -6.541 1.00 0.00 C ATOM 323 C THR A 21 1.537 -0.687 -6.855 1.00 0.00 C ATOM 324 O THR A 21 2.677 -1.047 -6.564 1.00 0.00 O ATOM 325 CB THR A 21 0.043 -2.496 -7.722 1.00 0.00 C ATOM 326 OG1 THR A 21 -1.290 -2.976 -7.667 1.00 0.00 O ATOM 327 CG2 THR A 21 0.961 -3.696 -7.780 1.00 0.00 C ATOM 0 H THR A 21 -1.580 -0.803 -6.935 1.00 0.00 H new ATOM 0 HA THR A 21 0.563 -2.171 -5.663 1.00 0.00 H new ATOM 0 HB THR A 21 0.209 -1.890 -8.613 1.00 0.00 H new ATOM 0 HG1 THR A 21 -1.902 -2.277 -7.978 1.00 0.00 H new ATOM 0 HG21 THR A 21 0.700 -4.312 -8.641 1.00 0.00 H new ATOM 0 HG22 THR A 21 1.994 -3.360 -7.874 1.00 0.00 H new ATOM 0 HG23 THR A 21 0.852 -4.282 -6.868 1.00 0.00 H new ATOM 335 N ALA A 22 1.273 0.473 -7.450 1.00 0.00 N ATOM 336 CA ALA A 22 2.334 1.412 -7.804 1.00 0.00 C ATOM 337 C ALA A 22 3.163 1.786 -6.580 1.00 0.00 C ATOM 338 O ALA A 22 4.392 1.837 -6.643 1.00 0.00 O ATOM 339 CB ALA A 22 1.742 2.657 -8.446 1.00 0.00 C ATOM 0 H ALA A 22 0.334 0.785 -7.697 1.00 0.00 H new ATOM 0 HA ALA A 22 2.994 0.926 -8.523 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.543 3.349 -8.705 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.198 2.378 -9.348 1.00 0.00 H new ATOM 0 HB3 ALA A 22 1.060 3.138 -7.745 1.00 0.00 H new ATOM 345 N LYS A 23 2.484 2.043 -5.468 1.00 0.00 N ATOM 346 CA LYS A 23 3.158 2.408 -4.228 1.00 0.00 C ATOM 347 C LYS A 23 3.905 1.211 -3.650 1.00 0.00 C ATOM 348 O LYS A 23 5.096 1.294 -3.344 1.00 0.00 O ATOM 349 CB LYS A 23 2.148 2.936 -3.209 1.00 0.00 C ATOM 350 CG LYS A 23 1.371 4.150 -3.695 1.00 0.00 C ATOM 351 CD LYS A 23 2.162 5.433 -3.495 1.00 0.00 C ATOM 352 CE LYS A 23 1.622 6.561 -4.359 1.00 0.00 C ATOM 353 NZ LYS A 23 2.714 7.404 -4.918 1.00 0.00 N ATOM 0 H LYS A 23 1.467 2.005 -5.400 1.00 0.00 H new ATOM 0 HA LYS A 23 3.879 3.194 -4.450 1.00 0.00 H new ATOM 0 HB2 LYS A 23 1.445 2.141 -2.961 1.00 0.00 H new ATOM 0 HB3 LYS A 23 2.673 3.195 -2.290 1.00 0.00 H new ATOM 0 HG2 LYS A 23 1.130 4.030 -4.751 1.00 0.00 H new ATOM 0 HG3 LYS A 23 0.425 4.217 -3.158 1.00 0.00 H new ATOM 0 HD2 LYS A 23 2.123 5.726 -2.446 1.00 0.00 H new ATOM 0 HD3 LYS A 23 3.210 5.257 -3.738 1.00 0.00 H new ATOM 0 HE2 LYS A 23 1.032 6.143 -5.175 1.00 0.00 H new ATOM 0 HE3 LYS A 23 0.951 7.183 -3.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 2.304 8.161 -5.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 3.261 7.824 -4.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 3.341 6.817 -5.504 1.00 0.00 H new ATOM 367 N PHE A 24 3.198 0.092 -3.508 1.00 0.00 N ATOM 368 CA PHE A 24 3.797 -1.127 -2.973 1.00 0.00 C ATOM 369 C PHE A 24 5.071 -1.476 -3.733 1.00 0.00 C ATOM 370 O PHE A 24 6.098 -1.796 -3.134 1.00 0.00 O ATOM 371 CB PHE A 24 2.802 -2.287 -3.051 1.00 0.00 C ATOM 372 CG PHE A 24 2.084 -2.547 -1.758 1.00 0.00 C ATOM 373 CD1 PHE A 24 2.688 -3.280 -0.749 1.00 0.00 C ATOM 374 CD2 PHE A 24 0.805 -2.055 -1.550 1.00 0.00 C ATOM 375 CE1 PHE A 24 2.030 -3.521 0.442 1.00 0.00 C ATOM 376 CE2 PHE A 24 0.143 -2.291 -0.360 1.00 0.00 C ATOM 377 CZ PHE A 24 0.756 -3.025 0.637 1.00 0.00 C ATOM 0 H PHE A 24 2.212 0.005 -3.755 1.00 0.00 H new ATOM 0 HA PHE A 24 4.053 -0.954 -1.928 1.00 0.00 H new ATOM 0 HB2 PHE A 24 2.068 -2.075 -3.829 1.00 0.00 H new ATOM 0 HB3 PHE A 24 3.332 -3.191 -3.351 1.00 0.00 H new ATOM 0 HD1 PHE A 24 3.685 -3.668 -0.895 1.00 0.00 H new ATOM 0 HD2 PHE A 24 0.321 -1.481 -2.326 1.00 0.00 H new ATOM 0 HE1 PHE A 24 2.511 -4.096 1.219 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -0.853 -1.902 -0.210 1.00 0.00 H new ATOM 0 HZ PHE A 24 0.240 -3.211 1.567 1.00 0.00 H new ATOM 387 N ALA A 25 5.001 -1.402 -5.061 1.00 0.00 N ATOM 388 CA ALA A 25 6.152 -1.701 -5.904 1.00 0.00 C ATOM 389 C ALA A 25 7.354 -0.860 -5.493 1.00 0.00 C ATOM 390 O ALA A 25 8.453 -1.381 -5.301 1.00 0.00 O ATOM 391 CB ALA A 25 5.810 -1.460 -7.367 1.00 0.00 C ATOM 0 H ALA A 25 4.160 -1.138 -5.574 1.00 0.00 H new ATOM 0 HA ALA A 25 6.411 -2.752 -5.774 1.00 0.00 H new ATOM 0 HB1 ALA A 25 6.678 -1.687 -7.986 1.00 0.00 H new ATOM 0 HB2 ALA A 25 4.979 -2.103 -7.657 1.00 0.00 H new ATOM 0 HB3 ALA A 25 5.527 -0.417 -7.507 1.00 0.00 H new ATOM 397 N LYS A 26 7.138 0.445 -5.353 1.00 0.00 N ATOM 398 CA LYS A 26 8.203 1.359 -4.954 1.00 0.00 C ATOM 399 C LYS A 26 8.818 0.921 -3.628 1.00 0.00 C ATOM 400 O LYS A 26 9.991 1.181 -3.360 1.00 0.00 O ATOM 401 CB LYS A 26 7.663 2.785 -4.835 1.00 0.00 C ATOM 402 CG LYS A 26 8.704 3.854 -5.123 1.00 0.00 C ATOM 403 CD LYS A 26 9.535 4.169 -3.889 1.00 0.00 C ATOM 404 CE LYS A 26 9.072 5.452 -3.215 1.00 0.00 C ATOM 405 NZ LYS A 26 10.184 6.431 -3.062 1.00 0.00 N ATOM 0 H LYS A 26 6.235 0.893 -5.510 1.00 0.00 H new ATOM 0 HA LYS A 26 8.977 1.338 -5.721 1.00 0.00 H new ATOM 0 HB2 LYS A 26 6.828 2.907 -5.525 1.00 0.00 H new ATOM 0 HB3 LYS A 26 7.270 2.933 -3.829 1.00 0.00 H new ATOM 0 HG2 LYS A 26 9.358 3.519 -5.928 1.00 0.00 H new ATOM 0 HG3 LYS A 26 8.209 4.761 -5.471 1.00 0.00 H new ATOM 0 HD2 LYS A 26 9.467 3.341 -3.183 1.00 0.00 H new ATOM 0 HD3 LYS A 26 10.584 4.263 -4.170 1.00 0.00 H new ATOM 0 HE2 LYS A 26 8.271 5.901 -3.801 1.00 0.00 H new ATOM 0 HE3 LYS A 26 8.657 5.218 -2.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 9.828 7.291 -2.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 10.938 6.012 -2.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 10.564 6.674 -3.999 1.00 0.00 H new ATOM 419 N LEU A 27 8.019 0.246 -2.805 1.00 0.00 N ATOM 420 CA LEU A 27 8.488 -0.238 -1.512 1.00 0.00 C ATOM 421 C LEU A 27 9.240 -1.557 -1.674 1.00 0.00 C ATOM 422 O LEU A 27 10.123 -1.885 -0.883 1.00 0.00 O ATOM 423 CB LEU A 27 7.310 -0.425 -0.555 1.00 0.00 C ATOM 424 CG LEU A 27 6.853 0.845 0.166 1.00 0.00 C ATOM 425 CD1 LEU A 27 6.101 1.759 -0.788 1.00 0.00 C ATOM 426 CD2 LEU A 27 5.986 0.494 1.366 1.00 0.00 C ATOM 0 H LEU A 27 7.045 0.023 -3.011 1.00 0.00 H new ATOM 0 HA LEU A 27 9.169 0.505 -1.095 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.467 -0.830 -1.115 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.583 -1.170 0.192 1.00 0.00 H new ATOM 0 HG LEU A 27 7.736 1.375 0.523 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.784 2.657 -0.258 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.754 2.038 -1.615 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.225 1.239 -1.176 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.670 1.409 1.867 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.108 -0.058 1.031 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.558 -0.121 2.061 1.00 0.00 H new ATOM 438 N GLU A 28 8.878 -2.307 -2.711 1.00 0.00 N ATOM 439 CA GLU A 28 9.506 -3.593 -2.999 1.00 0.00 C ATOM 440 C GLU A 28 10.988 -3.432 -3.339 1.00 0.00 C ATOM 441 O GLU A 28 11.733 -4.412 -3.374 1.00 0.00 O ATOM 442 CB GLU A 28 8.782 -4.291 -4.151 1.00 0.00 C ATOM 443 CG GLU A 28 7.447 -4.897 -3.753 1.00 0.00 C ATOM 444 CD GLU A 28 7.420 -6.406 -3.906 1.00 0.00 C ATOM 445 OE1 GLU A 28 8.452 -7.050 -3.627 1.00 0.00 O ATOM 446 OE2 GLU A 28 6.366 -6.942 -4.307 1.00 0.00 O ATOM 0 H GLU A 28 8.147 -2.043 -3.371 1.00 0.00 H new ATOM 0 HA GLU A 28 9.430 -4.205 -2.100 1.00 0.00 H new ATOM 0 HB2 GLU A 28 8.620 -3.573 -4.955 1.00 0.00 H new ATOM 0 HB3 GLU A 28 9.424 -5.077 -4.549 1.00 0.00 H new ATOM 0 HG2 GLU A 28 7.229 -4.637 -2.717 1.00 0.00 H new ATOM 0 HG3 GLU A 28 6.658 -4.460 -4.364 1.00 0.00 H new ATOM 453 N GLN A 29 11.416 -2.195 -3.589 1.00 0.00 N ATOM 454 CA GLN A 29 12.810 -1.926 -3.923 1.00 0.00 C ATOM 455 C GLN A 29 13.716 -2.164 -2.718 1.00 0.00 C ATOM 456 O GLN A 29 14.661 -2.946 -2.787 1.00 0.00 O ATOM 457 CB GLN A 29 12.968 -0.486 -4.417 1.00 0.00 C ATOM 458 CG GLN A 29 14.379 -0.152 -4.875 1.00 0.00 C ATOM 459 CD GLN A 29 14.789 1.262 -4.513 1.00 0.00 C ATOM 460 OE1 GLN A 29 15.898 1.495 -4.032 1.00 0.00 O ATOM 461 NE2 GLN A 29 13.895 2.216 -4.743 1.00 0.00 N ATOM 0 H GLN A 29 10.819 -1.368 -3.566 1.00 0.00 H new ATOM 0 HA GLN A 29 13.106 -2.611 -4.717 1.00 0.00 H new ATOM 0 HB2 GLN A 29 12.277 -0.316 -5.243 1.00 0.00 H new ATOM 0 HB3 GLN A 29 12.683 0.197 -3.617 1.00 0.00 H new ATOM 0 HG2 GLN A 29 15.079 -0.856 -4.425 1.00 0.00 H new ATOM 0 HG3 GLN A 29 14.447 -0.281 -5.955 1.00 0.00 H new ATOM 0 HE21 GLN A 29 12.987 1.979 -5.143 1.00 0.00 H new ATOM 0 HE22 GLN A 29 14.116 3.186 -4.520 1.00 0.00 H new ATOM 470 N TYR A 30 13.422 -1.479 -1.615 1.00 0.00 N ATOM 471 CA TYR A 30 14.218 -1.620 -0.399 1.00 0.00 C ATOM 472 C TYR A 30 13.682 -2.742 0.488 1.00 0.00 C ATOM 473 O TYR A 30 14.425 -3.320 1.284 1.00 0.00 O ATOM 474 CB TYR A 30 14.268 -0.302 0.385 1.00 0.00 C ATOM 475 CG TYR A 30 12.987 0.503 0.341 1.00 0.00 C ATOM 476 CD1 TYR A 30 11.805 -0.006 0.860 1.00 0.00 C ATOM 477 CD2 TYR A 30 12.965 1.776 -0.215 1.00 0.00 C ATOM 478 CE1 TYR A 30 10.636 0.730 0.827 1.00 0.00 C ATOM 479 CE2 TYR A 30 11.800 2.518 -0.252 1.00 0.00 C ATOM 480 CZ TYR A 30 10.639 1.991 0.271 1.00 0.00 C ATOM 481 OH TYR A 30 9.478 2.728 0.237 1.00 0.00 O ATOM 0 H TYR A 30 12.643 -0.825 -1.538 1.00 0.00 H new ATOM 0 HA TYR A 30 15.232 -1.880 -0.703 1.00 0.00 H new ATOM 0 HB2 TYR A 30 14.509 -0.521 1.425 1.00 0.00 H new ATOM 0 HB3 TYR A 30 15.080 0.309 -0.008 1.00 0.00 H new ATOM 0 HD1 TYR A 30 11.799 -0.994 1.297 1.00 0.00 H new ATOM 0 HD2 TYR A 30 13.873 2.192 -0.625 1.00 0.00 H new ATOM 0 HE1 TYR A 30 9.724 0.319 1.235 1.00 0.00 H new ATOM 0 HE2 TYR A 30 11.799 3.506 -0.689 1.00 0.00 H new ATOM 0 HH TYR A 30 9.653 3.594 -0.187 1.00 0.00 H new ATOM 491 N PHE A 31 12.397 -3.056 0.347 1.00 0.00 N ATOM 492 CA PHE A 31 11.783 -4.120 1.138 1.00 0.00 C ATOM 493 C PHE A 31 11.837 -5.447 0.386 1.00 0.00 C ATOM 494 O PHE A 31 11.408 -5.536 -0.764 1.00 0.00 O ATOM 495 CB PHE A 31 10.329 -3.775 1.479 1.00 0.00 C ATOM 496 CG PHE A 31 10.172 -2.608 2.418 1.00 0.00 C ATOM 497 CD1 PHE A 31 11.186 -2.249 3.294 1.00 0.00 C ATOM 498 CD2 PHE A 31 8.999 -1.870 2.424 1.00 0.00 C ATOM 499 CE1 PHE A 31 11.033 -1.178 4.152 1.00 0.00 C ATOM 500 CE2 PHE A 31 8.840 -0.798 3.281 1.00 0.00 C ATOM 501 CZ PHE A 31 9.860 -0.451 4.146 1.00 0.00 C ATOM 0 H PHE A 31 11.763 -2.592 -0.304 1.00 0.00 H new ATOM 0 HA PHE A 31 12.347 -4.216 2.066 1.00 0.00 H new ATOM 0 HB2 PHE A 31 9.793 -3.557 0.555 1.00 0.00 H new ATOM 0 HB3 PHE A 31 9.855 -4.650 1.924 1.00 0.00 H new ATOM 0 HD1 PHE A 31 12.106 -2.814 3.305 1.00 0.00 H new ATOM 0 HD2 PHE A 31 8.198 -2.136 1.750 1.00 0.00 H new ATOM 0 HE1 PHE A 31 11.831 -0.909 4.828 1.00 0.00 H new ATOM 0 HE2 PHE A 31 7.920 -0.232 3.275 1.00 0.00 H new ATOM 0 HZ PHE A 31 9.740 0.387 4.816 1.00 0.00 H new ATOM 511 N ASP A 32 12.368 -6.473 1.043 1.00 0.00 N ATOM 512 CA ASP A 32 12.479 -7.794 0.432 1.00 0.00 C ATOM 513 C ASP A 32 11.438 -8.751 1.005 1.00 0.00 C ATOM 514 O ASP A 32 10.964 -9.653 0.314 1.00 0.00 O ATOM 515 CB ASP A 32 13.882 -8.361 0.647 1.00 0.00 C ATOM 516 CG ASP A 32 14.328 -9.245 -0.502 1.00 0.00 C ATOM 517 OD1 ASP A 32 13.565 -10.159 -0.879 1.00 0.00 O ATOM 518 OD2 ASP A 32 15.442 -9.023 -1.023 1.00 0.00 O ATOM 0 H ASP A 32 12.727 -6.416 1.996 1.00 0.00 H new ATOM 0 HA ASP A 32 12.296 -7.687 -0.637 1.00 0.00 H new ATOM 0 HB2 ASP A 32 14.589 -7.540 0.766 1.00 0.00 H new ATOM 0 HB3 ASP A 32 13.901 -8.935 1.573 1.00 0.00 H new ATOM 523 N ARG A 33 11.089 -8.552 2.271 1.00 0.00 N ATOM 524 CA ARG A 33 10.107 -9.399 2.936 1.00 0.00 C ATOM 525 C ARG A 33 8.706 -9.150 2.382 1.00 0.00 C ATOM 526 O ARG A 33 7.829 -8.648 3.085 1.00 0.00 O ATOM 527 CB ARG A 33 10.122 -9.151 4.443 1.00 0.00 C ATOM 528 CG ARG A 33 11.520 -9.145 5.044 1.00 0.00 C ATOM 529 CD ARG A 33 11.764 -7.907 5.895 1.00 0.00 C ATOM 530 NE ARG A 33 12.830 -7.071 5.350 1.00 0.00 N ATOM 531 CZ ARG A 33 14.128 -7.322 5.514 1.00 0.00 C ATOM 532 NH1 ARG A 33 14.523 -8.383 6.206 1.00 0.00 N ATOM 533 NH2 ARG A 33 15.031 -6.510 4.982 1.00 0.00 N ATOM 0 H ARG A 33 11.472 -7.811 2.858 1.00 0.00 H new ATOM 0 HA ARG A 33 10.375 -10.438 2.744 1.00 0.00 H new ATOM 0 HB2 ARG A 33 9.642 -8.195 4.650 1.00 0.00 H new ATOM 0 HB3 ARG A 33 9.527 -9.920 4.936 1.00 0.00 H new ATOM 0 HG2 ARG A 33 11.657 -10.038 5.654 1.00 0.00 H new ATOM 0 HG3 ARG A 33 12.260 -9.188 4.244 1.00 0.00 H new ATOM 0 HD2 ARG A 33 10.845 -7.325 5.961 1.00 0.00 H new ATOM 0 HD3 ARG A 33 12.023 -8.210 6.910 1.00 0.00 H new ATOM 0 HE ARG A 33 12.565 -6.246 4.812 1.00 0.00 H new ATOM 0 HH11 ARG A 33 13.832 -9.011 6.615 1.00 0.00 H new ATOM 0 HH12 ARG A 33 15.518 -8.570 6.328 1.00 0.00 H new ATOM 0 HH21 ARG A 33 14.732 -5.694 4.448 1.00 0.00 H new ATOM 0 HH22 ARG A 33 16.025 -6.701 5.107 1.00 0.00 H new ATOM 547 N ILE A 34 8.504 -9.506 1.118 1.00 0.00 N ATOM 548 CA ILE A 34 7.211 -9.321 0.474 1.00 0.00 C ATOM 549 C ILE A 34 6.846 -10.534 -0.378 1.00 0.00 C ATOM 550 O ILE A 34 7.455 -10.779 -1.417 1.00 0.00 O ATOM 551 CB ILE A 34 7.198 -8.062 -0.416 1.00 0.00 C ATOM 552 CG1 ILE A 34 7.754 -6.862 0.352 1.00 0.00 C ATOM 553 CG2 ILE A 34 5.787 -7.777 -0.909 1.00 0.00 C ATOM 554 CD1 ILE A 34 8.101 -5.686 -0.536 1.00 0.00 C ATOM 0 H ILE A 34 9.218 -9.923 0.521 1.00 0.00 H new ATOM 0 HA ILE A 34 6.476 -9.200 1.270 1.00 0.00 H new ATOM 0 HB ILE A 34 7.835 -8.240 -1.282 1.00 0.00 H new ATOM 0 HG12 ILE A 34 7.021 -6.544 1.093 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.646 -7.171 0.897 1.00 0.00 H new ATOM 0 HG21 ILE A 34 5.794 -6.885 -1.536 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.426 -8.626 -1.489 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.129 -7.615 -0.055 1.00 0.00 H new ATOM 0 HD11 ILE A 34 8.489 -4.871 0.075 1.00 0.00 H new ATOM 0 HD12 ILE A 34 8.857 -5.988 -1.261 1.00 0.00 H new ATOM 0 HD13 ILE A 34 7.207 -5.351 -1.062 1.00 0.00 H new ATOM 566 N ASN A 35 5.851 -11.291 0.074 1.00 0.00 N ATOM 567 CA ASN A 35 5.408 -12.479 -0.649 1.00 0.00 C ATOM 568 C ASN A 35 3.919 -12.399 -0.975 1.00 0.00 C ATOM 569 O ASN A 35 3.527 -12.447 -2.140 1.00 0.00 O ATOM 570 CB ASN A 35 5.700 -13.743 0.166 1.00 0.00 C ATOM 571 CG ASN A 35 5.432 -13.559 1.648 1.00 0.00 C ATOM 572 OD1 ASN A 35 4.330 -13.819 2.129 1.00 0.00 O ATOM 573 ND2 ASN A 35 6.443 -13.106 2.380 1.00 0.00 N ATOM 0 H ASN A 35 5.337 -11.104 0.935 1.00 0.00 H new ATOM 0 HA ASN A 35 5.962 -12.527 -1.586 1.00 0.00 H new ATOM 0 HB2 ASN A 35 5.088 -14.563 -0.211 1.00 0.00 H new ATOM 0 HB3 ASN A 35 6.742 -14.031 0.022 1.00 0.00 H new ATOM 0 HD21 ASN A 35 6.322 -12.961 3.382 1.00 0.00 H new ATOM 0 HD22 ASN A 35 7.341 -12.903 1.940 1.00 0.00 H new ATOM 580 N GLN A 36 3.093 -12.277 0.061 1.00 0.00 N ATOM 581 CA GLN A 36 1.650 -12.189 -0.123 1.00 0.00 C ATOM 582 C GLN A 36 1.081 -10.971 0.597 1.00 0.00 C ATOM 583 O GLN A 36 1.145 -10.876 1.822 1.00 0.00 O ATOM 584 CB GLN A 36 0.969 -13.459 0.393 1.00 0.00 C ATOM 585 CG GLN A 36 -0.546 -13.438 0.253 1.00 0.00 C ATOM 586 CD GLN A 36 -1.062 -14.528 -0.669 1.00 0.00 C ATOM 587 OE1 GLN A 36 -0.916 -14.444 -1.888 1.00 0.00 O ATOM 588 NE2 GLN A 36 -1.671 -15.554 -0.088 1.00 0.00 N ATOM 0 H GLN A 36 3.399 -12.237 1.033 1.00 0.00 H new ATOM 0 HA GLN A 36 1.454 -12.085 -1.190 1.00 0.00 H new ATOM 0 HB2 GLN A 36 1.364 -14.319 -0.149 1.00 0.00 H new ATOM 0 HB3 GLN A 36 1.227 -13.598 1.443 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -1.000 -13.555 1.237 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -0.859 -12.466 -0.129 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -1.769 -15.581 0.927 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -2.041 -16.316 -0.656 1.00 0.00 H new ATOM 597 N VAL A 37 0.519 -10.046 -0.174 1.00 0.00 N ATOM 598 CA VAL A 37 -0.067 -8.838 0.389 1.00 0.00 C ATOM 599 C VAL A 37 -1.465 -8.605 -0.171 1.00 0.00 C ATOM 600 O VAL A 37 -1.693 -8.735 -1.372 1.00 0.00 O ATOM 601 CB VAL A 37 0.801 -7.599 0.097 1.00 0.00 C ATOM 602 CG1 VAL A 37 0.270 -6.386 0.847 1.00 0.00 C ATOM 603 CG2 VAL A 37 2.254 -7.867 0.459 1.00 0.00 C ATOM 0 H VAL A 37 0.458 -10.111 -1.190 1.00 0.00 H new ATOM 0 HA VAL A 37 -0.122 -8.984 1.468 1.00 0.00 H new ATOM 0 HB VAL A 37 0.751 -7.386 -0.971 1.00 0.00 H new ATOM 0 HG11 VAL A 37 0.896 -5.521 0.629 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -0.753 -6.183 0.532 1.00 0.00 H new ATOM 0 HG13 VAL A 37 0.287 -6.585 1.919 1.00 0.00 H new ATOM 0 HG21 VAL A 37 2.852 -6.981 0.246 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.326 -8.107 1.520 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.627 -8.706 -0.129 1.00 0.00 H new ATOM 613 N TYR A 38 -2.400 -8.258 0.706 1.00 0.00 N ATOM 614 CA TYR A 38 -3.774 -8.003 0.293 1.00 0.00 C ATOM 615 C TYR A 38 -4.266 -6.666 0.834 1.00 0.00 C ATOM 616 O TYR A 38 -4.084 -6.351 2.009 1.00 0.00 O ATOM 617 CB TYR A 38 -4.697 -9.140 0.745 1.00 0.00 C ATOM 618 CG TYR A 38 -4.297 -9.775 2.059 1.00 0.00 C ATOM 619 CD1 TYR A 38 -3.177 -10.594 2.141 1.00 0.00 C ATOM 620 CD2 TYR A 38 -5.041 -9.561 3.213 1.00 0.00 C ATOM 621 CE1 TYR A 38 -2.808 -11.181 3.336 1.00 0.00 C ATOM 622 CE2 TYR A 38 -4.678 -10.143 4.412 1.00 0.00 C ATOM 623 CZ TYR A 38 -3.561 -10.952 4.469 1.00 0.00 C ATOM 624 OH TYR A 38 -3.197 -11.535 5.662 1.00 0.00 O ATOM 0 H TYR A 38 -2.232 -8.147 1.706 1.00 0.00 H new ATOM 0 HA TYR A 38 -3.795 -7.957 -0.796 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -5.713 -8.755 0.834 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -4.714 -9.909 -0.028 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -2.585 -10.775 1.256 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -5.916 -8.930 3.172 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -1.935 -11.815 3.383 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -5.265 -9.966 5.301 1.00 0.00 H new ATOM 0 HH TYR A 38 -2.355 -12.022 5.544 1.00 0.00 H new ATOM 634 N VAL A 39 -4.883 -5.880 -0.043 1.00 0.00 N ATOM 635 CA VAL A 39 -5.398 -4.569 0.332 1.00 0.00 C ATOM 636 C VAL A 39 -6.889 -4.456 0.040 1.00 0.00 C ATOM 637 O VAL A 39 -7.382 -5.005 -0.947 1.00 0.00 O ATOM 638 CB VAL A 39 -4.655 -3.442 -0.415 1.00 0.00 C ATOM 639 CG1 VAL A 39 -5.003 -2.084 0.175 1.00 0.00 C ATOM 640 CG2 VAL A 39 -3.153 -3.677 -0.380 1.00 0.00 C ATOM 0 H VAL A 39 -5.038 -6.129 -1.020 1.00 0.00 H new ATOM 0 HA VAL A 39 -5.233 -4.460 1.404 1.00 0.00 H new ATOM 0 HB VAL A 39 -4.978 -3.451 -1.456 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -4.468 -1.304 -0.367 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -6.076 -1.914 0.089 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -4.714 -2.059 1.226 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.646 -2.872 -0.912 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.812 -3.699 0.655 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.922 -4.629 -0.858 1.00 0.00 H new ATOM 650 N VAL A 40 -7.604 -3.740 0.900 1.00 0.00 N ATOM 651 CA VAL A 40 -9.038 -3.548 0.733 1.00 0.00 C ATOM 652 C VAL A 40 -9.442 -2.137 1.119 1.00 0.00 C ATOM 653 O VAL A 40 -9.038 -1.625 2.162 1.00 0.00 O ATOM 654 CB VAL A 40 -9.847 -4.557 1.569 1.00 0.00 C ATOM 655 CG1 VAL A 40 -11.330 -4.457 1.244 1.00 0.00 C ATOM 656 CG2 VAL A 40 -9.338 -5.972 1.339 1.00 0.00 C ATOM 0 H VAL A 40 -7.212 -3.282 1.722 1.00 0.00 H new ATOM 0 HA VAL A 40 -9.261 -3.713 -0.321 1.00 0.00 H new ATOM 0 HB VAL A 40 -9.714 -4.314 2.623 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -11.884 -5.178 1.845 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -11.684 -3.451 1.467 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -11.486 -4.671 0.187 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -9.922 -6.671 1.938 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -9.437 -6.227 0.284 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -8.289 -6.033 1.630 1.00 0.00 H new ATOM 666 N LEU A 41 -10.221 -1.508 0.253 1.00 0.00 N ATOM 667 CA LEU A 41 -10.667 -0.143 0.473 1.00 0.00 C ATOM 668 C LEU A 41 -12.171 0.007 0.264 1.00 0.00 C ATOM 669 O LEU A 41 -12.711 -0.389 -0.769 1.00 0.00 O ATOM 670 CB LEU A 41 -9.897 0.807 -0.451 1.00 0.00 C ATOM 671 CG LEU A 41 -9.502 0.225 -1.816 1.00 0.00 C ATOM 672 CD1 LEU A 41 -8.494 -0.904 -1.656 1.00 0.00 C ATOM 673 CD2 LEU A 41 -10.730 -0.251 -2.579 1.00 0.00 C ATOM 0 H LEU A 41 -10.559 -1.925 -0.614 1.00 0.00 H new ATOM 0 HA LEU A 41 -10.461 0.115 1.512 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -10.505 1.697 -0.617 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -8.992 1.131 0.062 1.00 0.00 H new ATOM 0 HG LEU A 41 -9.030 1.019 -2.395 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.231 -1.299 -2.637 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.598 -0.525 -1.165 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.930 -1.698 -1.051 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -10.424 -0.659 -3.542 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -11.239 -1.024 -2.003 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -11.407 0.588 -2.739 1.00 0.00 H new ATOM 685 N LYS A 42 -12.839 0.594 1.252 1.00 0.00 N ATOM 686 CA LYS A 42 -14.277 0.814 1.184 1.00 0.00 C ATOM 687 C LYS A 42 -14.572 2.280 0.881 1.00 0.00 C ATOM 688 O LYS A 42 -13.925 3.178 1.422 1.00 0.00 O ATOM 689 CB LYS A 42 -14.943 0.398 2.501 1.00 0.00 C ATOM 690 CG LYS A 42 -16.412 0.780 2.593 1.00 0.00 C ATOM 691 CD LYS A 42 -17.008 0.385 3.935 1.00 0.00 C ATOM 692 CE LYS A 42 -16.295 1.078 5.086 1.00 0.00 C ATOM 693 NZ LYS A 42 -16.948 0.794 6.394 1.00 0.00 N ATOM 0 H LYS A 42 -12.404 0.927 2.112 1.00 0.00 H new ATOM 0 HA LYS A 42 -14.686 0.202 0.380 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -14.850 -0.682 2.619 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -14.405 0.857 3.330 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -16.519 1.855 2.449 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -16.966 0.294 1.790 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -18.067 0.642 3.954 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -16.940 -0.696 4.061 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -15.256 0.750 5.120 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -16.284 2.154 4.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -16.276 0.982 7.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -17.783 1.405 6.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -17.242 -0.203 6.426 1.00 0.00 H new ATOM 707 N VAL A 43 -15.550 2.513 0.012 1.00 0.00 N ATOM 708 CA VAL A 43 -15.924 3.870 -0.367 1.00 0.00 C ATOM 709 C VAL A 43 -17.379 4.160 -0.016 1.00 0.00 C ATOM 710 O VAL A 43 -18.297 3.567 -0.582 1.00 0.00 O ATOM 711 CB VAL A 43 -15.715 4.109 -1.874 1.00 0.00 C ATOM 712 CG1 VAL A 43 -15.952 5.570 -2.223 1.00 0.00 C ATOM 713 CG2 VAL A 43 -14.320 3.674 -2.294 1.00 0.00 C ATOM 0 H VAL A 43 -16.097 1.781 -0.442 1.00 0.00 H new ATOM 0 HA VAL A 43 -15.277 4.544 0.195 1.00 0.00 H new ATOM 0 HB VAL A 43 -16.440 3.507 -2.422 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -15.799 5.718 -3.292 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -16.973 5.846 -1.961 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -15.253 6.195 -1.667 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -14.190 3.850 -3.362 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -13.578 4.247 -1.739 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -14.191 2.612 -2.083 1.00 0.00 H new ATOM 723 N GLU A 44 -17.580 5.084 0.917 1.00 0.00 N ATOM 724 CA GLU A 44 -18.921 5.465 1.342 1.00 0.00 C ATOM 725 C GLU A 44 -19.055 6.984 1.386 1.00 0.00 C ATOM 726 O GLU A 44 -18.072 7.700 1.572 1.00 0.00 O ATOM 727 CB GLU A 44 -19.244 4.866 2.713 1.00 0.00 C ATOM 728 CG GLU A 44 -18.091 4.932 3.698 1.00 0.00 C ATOM 729 CD GLU A 44 -18.411 4.258 5.017 1.00 0.00 C ATOM 730 OE1 GLU A 44 -18.632 3.028 5.019 1.00 0.00 O ATOM 731 OE2 GLU A 44 -18.444 4.960 6.050 1.00 0.00 O ATOM 0 H GLU A 44 -16.829 5.584 1.394 1.00 0.00 H new ATOM 0 HA GLU A 44 -19.633 5.072 0.616 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -20.101 5.391 3.135 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -19.540 3.825 2.584 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -17.214 4.460 3.256 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -17.833 5.975 3.881 1.00 0.00 H new ATOM 738 N LYS A 45 -20.279 7.467 1.200 1.00 0.00 N ATOM 739 CA LYS A 45 -20.550 8.902 1.203 1.00 0.00 C ATOM 740 C LYS A 45 -19.982 9.590 2.446 1.00 0.00 C ATOM 741 O LYS A 45 -19.787 10.806 2.450 1.00 0.00 O ATOM 742 CB LYS A 45 -22.056 9.153 1.119 1.00 0.00 C ATOM 743 CG LYS A 45 -22.415 10.605 0.850 1.00 0.00 C ATOM 744 CD LYS A 45 -23.779 10.957 1.423 1.00 0.00 C ATOM 745 CE LYS A 45 -24.550 11.888 0.500 1.00 0.00 C ATOM 746 NZ LYS A 45 -24.859 11.245 -0.808 1.00 0.00 N ATOM 0 H LYS A 45 -21.102 6.885 1.045 1.00 0.00 H new ATOM 0 HA LYS A 45 -20.055 9.328 0.330 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -22.476 8.531 0.329 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -22.521 8.839 2.053 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -21.657 11.255 1.287 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -22.412 10.789 -0.224 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -24.354 10.045 1.583 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -23.654 11.430 2.397 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -25.479 12.191 0.984 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -23.968 12.794 0.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -25.728 11.659 -1.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -24.071 11.404 -1.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -24.994 10.223 -0.669 1.00 0.00 H new ATOM 760 N VAL A 46 -19.726 8.821 3.501 1.00 0.00 N ATOM 761 CA VAL A 46 -19.193 9.385 4.736 1.00 0.00 C ATOM 762 C VAL A 46 -17.662 9.446 4.720 1.00 0.00 C ATOM 763 O VAL A 46 -17.084 10.478 4.376 1.00 0.00 O ATOM 764 CB VAL A 46 -19.670 8.586 5.968 1.00 0.00 C ATOM 765 CG1 VAL A 46 -19.179 9.234 7.256 1.00 0.00 C ATOM 766 CG2 VAL A 46 -21.186 8.469 5.967 1.00 0.00 C ATOM 0 H VAL A 46 -19.878 7.813 3.525 1.00 0.00 H new ATOM 0 HA VAL A 46 -19.576 10.403 4.806 1.00 0.00 H new ATOM 0 HB VAL A 46 -19.246 7.583 5.914 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -19.527 8.654 8.111 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -18.089 9.263 7.256 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -19.569 10.250 7.324 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -21.508 7.903 6.841 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -21.628 9.465 5.996 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -21.511 7.955 5.062 1.00 0.00 H new ATOM 776 N THR A 47 -17.008 8.348 5.097 1.00 0.00 N ATOM 777 CA THR A 47 -15.548 8.302 5.124 1.00 0.00 C ATOM 778 C THR A 47 -15.015 7.083 4.377 1.00 0.00 C ATOM 779 O THR A 47 -15.694 6.065 4.265 1.00 0.00 O ATOM 780 CB THR A 47 -15.047 8.286 6.569 1.00 0.00 C ATOM 781 OG1 THR A 47 -15.542 9.404 7.284 1.00 0.00 O ATOM 782 CG2 THR A 47 -13.537 8.300 6.681 1.00 0.00 C ATOM 0 H THR A 47 -17.464 7.483 5.386 1.00 0.00 H new ATOM 0 HA THR A 47 -15.177 9.196 4.622 1.00 0.00 H new ATOM 0 HB THR A 47 -15.417 7.352 6.992 1.00 0.00 H new ATOM 0 HG1 THR A 47 -15.212 9.375 8.206 1.00 0.00 H new ATOM 0 HG21 THR A 47 -13.250 8.288 7.732 1.00 0.00 H new ATOM 0 HG22 THR A 47 -13.127 7.422 6.183 1.00 0.00 H new ATOM 0 HG23 THR A 47 -13.145 9.201 6.209 1.00 0.00 H new ATOM 790 N HIS A 48 -13.787 7.192 3.879 1.00 0.00 N ATOM 791 CA HIS A 48 -13.155 6.095 3.153 1.00 0.00 C ATOM 792 C HIS A 48 -12.199 5.330 4.062 1.00 0.00 C ATOM 793 O HIS A 48 -11.443 5.929 4.827 1.00 0.00 O ATOM 794 CB HIS A 48 -12.403 6.630 1.933 1.00 0.00 C ATOM 795 CG HIS A 48 -13.254 7.460 1.023 1.00 0.00 C ATOM 796 ND1 HIS A 48 -13.250 7.319 -0.348 1.00 0.00 N ATOM 797 CD2 HIS A 48 -14.143 8.446 1.295 1.00 0.00 C ATOM 798 CE1 HIS A 48 -14.098 8.181 -0.881 1.00 0.00 C ATOM 799 NE2 HIS A 48 -14.652 8.877 0.095 1.00 0.00 N ATOM 0 H HIS A 48 -13.210 8.029 3.965 1.00 0.00 H new ATOM 0 HA HIS A 48 -13.935 5.412 2.816 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -11.557 7.228 2.271 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -11.995 5.790 1.370 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -14.403 8.823 2.273 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -14.303 8.297 -1.935 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -15.346 9.615 -0.024 1.00 0.00 H new ATOM 808 N THR A 49 -12.242 4.003 3.982 1.00 0.00 N ATOM 809 CA THR A 49 -11.381 3.162 4.808 1.00 0.00 C ATOM 810 C THR A 49 -10.602 2.164 3.957 1.00 0.00 C ATOM 811 O THR A 49 -11.155 1.541 3.053 1.00 0.00 O ATOM 812 CB THR A 49 -12.216 2.416 5.850 1.00 0.00 C ATOM 813 OG1 THR A 49 -12.956 3.324 6.644 1.00 0.00 O ATOM 814 CG2 THR A 49 -11.386 1.560 6.783 1.00 0.00 C ATOM 0 H THR A 49 -12.861 3.488 3.356 1.00 0.00 H new ATOM 0 HA THR A 49 -10.665 3.810 5.315 1.00 0.00 H new ATOM 0 HB THR A 49 -12.876 1.765 5.277 1.00 0.00 H new ATOM 0 HG1 THR A 49 -13.484 2.827 7.303 1.00 0.00 H new ATOM 0 HG21 THR A 49 -12.041 1.059 7.496 1.00 0.00 H new ATOM 0 HG22 THR A 49 -10.841 0.814 6.204 1.00 0.00 H new ATOM 0 HG23 THR A 49 -10.677 2.190 7.321 1.00 0.00 H new ATOM 822 N SER A 50 -9.315 2.015 4.257 1.00 0.00 N ATOM 823 CA SER A 50 -8.463 1.090 3.519 1.00 0.00 C ATOM 824 C SER A 50 -7.550 0.313 4.464 1.00 0.00 C ATOM 825 O SER A 50 -7.145 0.822 5.509 1.00 0.00 O ATOM 826 CB SER A 50 -7.627 1.843 2.484 1.00 0.00 C ATOM 827 OG SER A 50 -8.367 2.905 1.908 1.00 0.00 O ATOM 0 H SER A 50 -8.841 2.522 5.004 1.00 0.00 H new ATOM 0 HA SER A 50 -9.108 0.379 3.003 1.00 0.00 H new ATOM 0 HB2 SER A 50 -6.726 2.237 2.955 1.00 0.00 H new ATOM 0 HB3 SER A 50 -7.303 1.155 1.703 1.00 0.00 H new ATOM 0 HG SER A 50 -7.958 3.164 1.056 1.00 0.00 H new ATOM 833 N ASP A 51 -7.232 -0.923 4.089 1.00 0.00 N ATOM 834 CA ASP A 51 -6.367 -1.771 4.903 1.00 0.00 C ATOM 835 C ASP A 51 -5.283 -2.428 4.053 1.00 0.00 C ATOM 836 O ASP A 51 -5.429 -2.556 2.838 1.00 0.00 O ATOM 837 CB ASP A 51 -7.193 -2.843 5.620 1.00 0.00 C ATOM 838 CG ASP A 51 -7.828 -3.832 4.660 1.00 0.00 C ATOM 839 OD1 ASP A 51 -7.087 -4.449 3.863 1.00 0.00 O ATOM 840 OD2 ASP A 51 -9.065 -3.992 4.707 1.00 0.00 O ATOM 0 H ASP A 51 -7.560 -1.359 3.227 1.00 0.00 H new ATOM 0 HA ASP A 51 -5.882 -1.139 5.647 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -6.553 -3.381 6.319 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -7.974 -2.361 6.208 1.00 0.00 H new ATOM 845 N ALA A 52 -4.199 -2.846 4.701 1.00 0.00 N ATOM 846 CA ALA A 52 -3.096 -3.491 4.000 1.00 0.00 C ATOM 847 C ALA A 52 -2.339 -4.454 4.909 1.00 0.00 C ATOM 848 O ALA A 52 -1.654 -4.038 5.846 1.00 0.00 O ATOM 849 CB ALA A 52 -2.146 -2.448 3.433 1.00 0.00 C ATOM 0 H ALA A 52 -4.062 -2.749 5.707 1.00 0.00 H new ATOM 0 HA ALA A 52 -3.520 -4.070 3.180 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -1.328 -2.946 2.913 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.684 -1.807 2.734 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.744 -1.842 4.245 1.00 0.00 H new ATOM 855 N THR A 53 -2.470 -5.744 4.623 1.00 0.00 N ATOM 856 CA THR A 53 -1.801 -6.779 5.404 1.00 0.00 C ATOM 857 C THR A 53 -0.592 -7.327 4.652 1.00 0.00 C ATOM 858 O THR A 53 -0.739 -8.031 3.653 1.00 0.00 O ATOM 859 CB THR A 53 -2.773 -7.914 5.725 1.00 0.00 C ATOM 860 OG1 THR A 53 -4.072 -7.406 5.975 1.00 0.00 O ATOM 861 CG2 THR A 53 -2.360 -8.735 6.926 1.00 0.00 C ATOM 0 H THR A 53 -3.036 -6.100 3.853 1.00 0.00 H new ATOM 0 HA THR A 53 -1.457 -6.332 6.337 1.00 0.00 H new ATOM 0 HB THR A 53 -2.764 -8.559 4.846 1.00 0.00 H new ATOM 0 HG1 THR A 53 -4.045 -6.805 6.749 1.00 0.00 H new ATOM 0 HG21 THR A 53 -3.093 -9.523 7.098 1.00 0.00 H new ATOM 0 HG22 THR A 53 -1.383 -9.182 6.742 1.00 0.00 H new ATOM 0 HG23 THR A 53 -2.305 -8.092 7.805 1.00 0.00 H new ATOM 869 N LEU A 54 0.603 -6.999 5.137 1.00 0.00 N ATOM 870 CA LEU A 54 1.834 -7.460 4.505 1.00 0.00 C ATOM 871 C LEU A 54 2.357 -8.722 5.184 1.00 0.00 C ATOM 872 O LEU A 54 2.246 -8.879 6.399 1.00 0.00 O ATOM 873 CB LEU A 54 2.900 -6.363 4.559 1.00 0.00 C ATOM 874 CG LEU A 54 2.711 -5.225 3.553 1.00 0.00 C ATOM 875 CD1 LEU A 54 1.598 -4.292 4.004 1.00 0.00 C ATOM 876 CD2 LEU A 54 4.013 -4.457 3.370 1.00 0.00 C ATOM 0 H LEU A 54 0.744 -6.418 5.963 1.00 0.00 H new ATOM 0 HA LEU A 54 1.611 -7.694 3.464 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.914 -5.941 5.564 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.876 -6.818 4.391 1.00 0.00 H new ATOM 0 HG LEU A 54 2.427 -5.656 2.593 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.479 -3.489 3.276 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.665 -4.850 4.085 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.851 -3.866 4.975 1.00 0.00 H new ATOM 0 HD21 LEU A 54 3.862 -3.651 2.652 1.00 0.00 H new ATOM 0 HD22 LEU A 54 4.325 -4.037 4.326 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.785 -5.132 3.001 1.00 0.00 H new ATOM 888 N HIS A 55 2.928 -9.620 4.388 1.00 0.00 N ATOM 889 CA HIS A 55 3.472 -10.869 4.908 1.00 0.00 C ATOM 890 C HIS A 55 4.991 -10.795 5.025 1.00 0.00 C ATOM 891 O HIS A 55 5.671 -10.308 4.122 1.00 0.00 O ATOM 892 CB HIS A 55 3.076 -12.037 4.001 1.00 0.00 C ATOM 893 CG HIS A 55 1.727 -12.607 4.317 1.00 0.00 C ATOM 894 ND1 HIS A 55 1.515 -13.946 4.566 1.00 0.00 N ATOM 895 CD2 HIS A 55 0.516 -12.010 4.423 1.00 0.00 C ATOM 896 CE1 HIS A 55 0.233 -14.148 4.810 1.00 0.00 C ATOM 897 NE2 HIS A 55 -0.395 -12.990 4.731 1.00 0.00 N ATOM 0 H HIS A 55 3.026 -9.506 3.379 1.00 0.00 H new ATOM 0 HA HIS A 55 3.057 -11.031 5.903 1.00 0.00 H new ATOM 0 HB2 HIS A 55 3.086 -11.701 2.964 1.00 0.00 H new ATOM 0 HB3 HIS A 55 3.824 -12.825 4.088 1.00 0.00 H new ATOM 0 HD1 HIS A 55 2.236 -14.668 4.562 1.00 0.00 H new ATOM 0 HD2 HIS A 55 0.306 -10.959 4.290 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -0.224 -15.100 5.036 1.00 0.00 H new ATOM 906 N VAL A 56 5.516 -11.281 6.145 1.00 0.00 N ATOM 907 CA VAL A 56 6.955 -11.270 6.381 1.00 0.00 C ATOM 908 C VAL A 56 7.428 -12.608 6.944 1.00 0.00 C ATOM 909 O VAL A 56 6.707 -13.268 7.691 1.00 0.00 O ATOM 910 CB VAL A 56 7.352 -10.145 7.358 1.00 0.00 C ATOM 911 CG1 VAL A 56 8.867 -10.020 7.455 1.00 0.00 C ATOM 912 CG2 VAL A 56 6.725 -8.824 6.932 1.00 0.00 C ATOM 0 H VAL A 56 4.967 -11.687 6.903 1.00 0.00 H new ATOM 0 HA VAL A 56 7.435 -11.093 5.419 1.00 0.00 H new ATOM 0 HB VAL A 56 6.973 -10.401 8.347 1.00 0.00 H new ATOM 0 HG11 VAL A 56 9.122 -9.220 8.150 1.00 0.00 H new ATOM 0 HG12 VAL A 56 9.287 -10.960 7.813 1.00 0.00 H new ATOM 0 HG13 VAL A 56 9.277 -9.791 6.471 1.00 0.00 H new ATOM 0 HG21 VAL A 56 7.015 -8.041 7.632 1.00 0.00 H new ATOM 0 HG22 VAL A 56 7.071 -8.563 5.932 1.00 0.00 H new ATOM 0 HG23 VAL A 56 5.639 -8.922 6.927 1.00 0.00 H new ATOM 922 N ASN A 57 8.642 -13.004 6.580 1.00 0.00 N ATOM 923 CA ASN A 57 9.203 -14.264 7.053 1.00 0.00 C ATOM 924 C ASN A 57 9.282 -14.283 8.577 1.00 0.00 C ATOM 925 O ASN A 57 10.150 -13.644 9.171 1.00 0.00 O ATOM 926 CB ASN A 57 10.593 -14.484 6.455 1.00 0.00 C ATOM 927 CG ASN A 57 10.536 -14.922 5.003 1.00 0.00 C ATOM 928 OD1 ASN A 57 9.747 -15.794 4.637 1.00 0.00 O ATOM 929 ND2 ASN A 57 11.373 -14.318 4.170 1.00 0.00 N ATOM 0 H ASN A 57 9.255 -12.473 5.961 1.00 0.00 H new ATOM 0 HA ASN A 57 8.546 -15.071 6.730 1.00 0.00 H new ATOM 0 HB2 ASN A 57 11.168 -13.561 6.531 1.00 0.00 H new ATOM 0 HB3 ASN A 57 11.121 -15.238 7.039 1.00 0.00 H new ATOM 0 HD21 ASN A 57 11.380 -14.571 3.182 1.00 0.00 H new ATOM 0 HD22 ASN A 57 12.010 -13.601 4.518 1.00 0.00 H new ATOM 936 N GLY A 58 8.375 -15.027 9.202 1.00 0.00 N ATOM 937 CA GLY A 58 8.367 -15.121 10.651 1.00 0.00 C ATOM 938 C GLY A 58 7.301 -14.256 11.299 1.00 0.00 C ATOM 939 O GLY A 58 6.909 -14.501 12.439 1.00 0.00 O ATOM 0 H GLY A 58 7.647 -15.565 8.733 1.00 0.00 H new ATOM 0 HA2 GLY A 58 8.209 -16.160 10.941 1.00 0.00 H new ATOM 0 HA3 GLY A 58 9.345 -14.829 11.033 1.00 0.00 H new ATOM 943 N GLY A 59 6.835 -13.238 10.580 1.00 0.00 N ATOM 944 CA GLY A 59 5.816 -12.357 11.126 1.00 0.00 C ATOM 945 C GLY A 59 4.935 -11.738 10.056 1.00 0.00 C ATOM 946 O GLY A 59 5.279 -11.746 8.877 1.00 0.00 O ATOM 0 H GLY A 59 7.142 -13.008 9.635 1.00 0.00 H new ATOM 0 HA2 GLY A 59 5.193 -12.918 11.823 1.00 0.00 H new ATOM 0 HA3 GLY A 59 6.297 -11.563 11.697 1.00 0.00 H new ATOM 950 N GLU A 60 3.796 -11.197 10.474 1.00 0.00 N ATOM 951 CA GLU A 60 2.862 -10.568 9.547 1.00 0.00 C ATOM 952 C GLU A 60 2.315 -9.268 10.126 1.00 0.00 C ATOM 953 O GLU A 60 1.818 -9.241 11.252 1.00 0.00 O ATOM 954 CB GLU A 60 1.711 -11.522 9.223 1.00 0.00 C ATOM 955 CG GLU A 60 2.089 -12.624 8.247 1.00 0.00 C ATOM 956 CD GLU A 60 1.551 -13.980 8.661 1.00 0.00 C ATOM 957 OE1 GLU A 60 0.377 -14.050 9.079 1.00 0.00 O ATOM 958 OE2 GLU A 60 2.306 -14.971 8.567 1.00 0.00 O ATOM 0 H GLU A 60 3.497 -11.181 11.449 1.00 0.00 H new ATOM 0 HA GLU A 60 3.401 -10.337 8.628 1.00 0.00 H new ATOM 0 HB2 GLU A 60 1.354 -11.975 10.148 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.882 -10.949 8.808 1.00 0.00 H new ATOM 0 HG2 GLU A 60 1.709 -12.373 7.257 1.00 0.00 H new ATOM 0 HG3 GLU A 60 3.175 -12.677 8.167 1.00 0.00 H new ATOM 965 N ILE A 61 2.411 -8.192 9.351 1.00 0.00 N ATOM 966 CA ILE A 61 1.926 -6.891 9.793 1.00 0.00 C ATOM 967 C ILE A 61 0.584 -6.557 9.152 1.00 0.00 C ATOM 968 O ILE A 61 0.374 -6.804 7.964 1.00 0.00 O ATOM 969 CB ILE A 61 2.933 -5.772 9.460 1.00 0.00 C ATOM 970 CG1 ILE A 61 4.340 -6.165 9.918 1.00 0.00 C ATOM 971 CG2 ILE A 61 2.503 -4.463 10.105 1.00 0.00 C ATOM 972 CD1 ILE A 61 5.391 -6.014 8.838 1.00 0.00 C ATOM 0 H ILE A 61 2.819 -8.196 8.416 1.00 0.00 H new ATOM 0 HA ILE A 61 1.805 -6.951 10.875 1.00 0.00 H new ATOM 0 HB ILE A 61 2.952 -5.632 8.379 1.00 0.00 H new ATOM 0 HG12 ILE A 61 4.619 -5.551 10.774 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.327 -7.200 10.259 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.224 -3.683 9.861 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.520 -4.179 9.730 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.457 -4.588 11.187 1.00 0.00 H new ATOM 0 HD11 ILE A 61 6.363 -6.310 9.232 1.00 0.00 H new ATOM 0 HD12 ILE A 61 5.135 -6.649 7.990 1.00 0.00 H new ATOM 0 HD13 ILE A 61 5.432 -4.974 8.513 1.00 0.00 H new ATOM 984 N HIS A 62 -0.320 -5.986 9.942 1.00 0.00 N ATOM 985 CA HIS A 62 -1.638 -5.610 9.451 1.00 0.00 C ATOM 986 C HIS A 62 -1.994 -4.194 9.895 1.00 0.00 C ATOM 987 O HIS A 62 -2.194 -3.942 11.083 1.00 0.00 O ATOM 988 CB HIS A 62 -2.695 -6.595 9.955 1.00 0.00 C ATOM 989 CG HIS A 62 -4.060 -6.349 9.393 1.00 0.00 C ATOM 990 ND1 HIS A 62 -4.451 -5.838 8.201 1.00 0.00 N flip ATOM 991 CD2 HIS A 62 -5.220 -6.637 10.082 1.00 0.00 C flip ATOM 992 CE1 HIS A 62 -5.822 -5.826 8.193 1.00 0.00 C flip ATOM 993 NE2 HIS A 62 -6.262 -6.315 9.338 1.00 0.00 N flip ATOM 0 H HIS A 62 -0.162 -5.774 10.927 1.00 0.00 H new ATOM 0 HA HIS A 62 -1.617 -5.639 8.362 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -2.385 -7.609 9.702 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -2.743 -6.538 11.042 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -5.268 -7.060 11.075 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -6.442 -5.474 7.382 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -7.241 -6.425 9.603 1.00 0.00 H new ATOM 1002 N ALA A 63 -2.072 -3.273 8.941 1.00 0.00 N ATOM 1003 CA ALA A 63 -2.402 -1.886 9.249 1.00 0.00 C ATOM 1004 C ALA A 63 -3.590 -1.404 8.423 1.00 0.00 C ATOM 1005 O ALA A 63 -3.875 -1.947 7.356 1.00 0.00 O ATOM 1006 CB ALA A 63 -1.195 -0.992 9.015 1.00 0.00 C ATOM 0 H ALA A 63 -1.912 -3.460 7.951 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.682 -1.832 10.301 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -1.456 0.040 9.249 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -0.374 -1.313 9.657 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -0.888 -1.061 7.971 1.00 0.00 H new ATOM 1012 N SER A 64 -4.275 -0.379 8.918 1.00 0.00 N ATOM 1013 CA SER A 64 -5.424 0.183 8.223 1.00 0.00 C ATOM 1014 C SER A 64 -5.427 1.705 8.348 1.00 0.00 C ATOM 1015 O SER A 64 -4.991 2.251 9.360 1.00 0.00 O ATOM 1016 CB SER A 64 -6.724 -0.391 8.789 1.00 0.00 C ATOM 1017 OG SER A 64 -7.679 -0.601 7.763 1.00 0.00 O ATOM 0 H SER A 64 -4.052 0.080 9.801 1.00 0.00 H new ATOM 0 HA SER A 64 -5.353 -0.084 7.169 1.00 0.00 H new ATOM 0 HB2 SER A 64 -6.518 -1.333 9.297 1.00 0.00 H new ATOM 0 HB3 SER A 64 -7.132 0.291 9.535 1.00 0.00 H new ATOM 0 HG SER A 64 -7.495 0.005 7.015 1.00 0.00 H new ATOM 1023 N ALA A 65 -5.918 2.384 7.316 1.00 0.00 N ATOM 1024 CA ALA A 65 -5.966 3.840 7.325 1.00 0.00 C ATOM 1025 C ALA A 65 -7.211 4.360 6.614 1.00 0.00 C ATOM 1026 O ALA A 65 -7.875 3.626 5.882 1.00 0.00 O ATOM 1027 CB ALA A 65 -4.714 4.414 6.681 1.00 0.00 C ATOM 0 H ALA A 65 -6.286 1.952 6.468 1.00 0.00 H new ATOM 0 HA ALA A 65 -6.012 4.166 8.364 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -4.764 5.503 6.695 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.836 4.084 7.236 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -4.643 4.067 5.650 1.00 0.00 H new ATOM 1033 N GLU A 66 -7.517 5.633 6.836 1.00 0.00 N ATOM 1034 CA GLU A 66 -8.678 6.265 6.219 1.00 0.00 C ATOM 1035 C GLU A 66 -8.348 7.691 5.795 1.00 0.00 C ATOM 1036 O GLU A 66 -7.368 8.275 6.258 1.00 0.00 O ATOM 1037 CB GLU A 66 -9.860 6.266 7.188 1.00 0.00 C ATOM 1038 CG GLU A 66 -9.543 6.893 8.535 1.00 0.00 C ATOM 1039 CD GLU A 66 -10.692 6.779 9.517 1.00 0.00 C ATOM 1040 OE1 GLU A 66 -11.272 5.678 9.624 1.00 0.00 O ATOM 1041 OE2 GLU A 66 -11.009 7.788 10.180 1.00 0.00 O ATOM 0 H GLU A 66 -6.975 6.250 7.441 1.00 0.00 H new ATOM 0 HA GLU A 66 -8.950 5.692 5.333 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.691 6.804 6.733 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -10.192 5.240 7.344 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -8.661 6.412 8.957 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -9.295 7.945 8.392 1.00 0.00 H new ATOM 1048 N GLY A 67 -9.168 8.248 4.911 1.00 0.00 N ATOM 1049 CA GLY A 67 -8.936 9.602 4.444 1.00 0.00 C ATOM 1050 C GLY A 67 -10.156 10.210 3.781 1.00 0.00 C ATOM 1051 O GLY A 67 -11.173 9.540 3.598 1.00 0.00 O ATOM 0 H GLY A 67 -9.986 7.789 4.511 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -8.637 10.226 5.286 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -8.106 9.601 3.737 1.00 0.00 H new ATOM 1055 N GLN A 68 -10.055 11.486 3.426 1.00 0.00 N ATOM 1056 CA GLN A 68 -11.155 12.199 2.783 1.00 0.00 C ATOM 1057 C GLN A 68 -11.603 11.504 1.496 1.00 0.00 C ATOM 1058 O GLN A 68 -12.696 11.767 0.995 1.00 0.00 O ATOM 1059 CB GLN A 68 -10.741 13.639 2.479 1.00 0.00 C ATOM 1060 CG GLN A 68 -11.878 14.502 1.957 1.00 0.00 C ATOM 1061 CD GLN A 68 -12.307 15.567 2.949 1.00 0.00 C ATOM 1062 OE1 GLN A 68 -13.496 15.728 3.228 1.00 0.00 O ATOM 1063 NE2 GLN A 68 -11.339 16.299 3.486 1.00 0.00 N ATOM 0 H GLN A 68 -9.219 12.051 3.573 1.00 0.00 H new ATOM 0 HA GLN A 68 -11.998 12.200 3.474 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -10.339 14.092 3.385 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -9.936 13.629 1.744 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -11.569 14.980 1.028 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -12.732 13.867 1.720 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -10.367 16.130 3.225 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -11.567 17.030 4.160 1.00 0.00 H new ATOM 1072 N ASP A 69 -10.765 10.617 0.967 1.00 0.00 N ATOM 1073 CA ASP A 69 -11.094 9.895 -0.257 1.00 0.00 C ATOM 1074 C ASP A 69 -10.368 8.555 -0.301 1.00 0.00 C ATOM 1075 O ASP A 69 -9.547 8.254 0.564 1.00 0.00 O ATOM 1076 CB ASP A 69 -10.726 10.731 -1.484 1.00 0.00 C ATOM 1077 CG ASP A 69 -9.281 11.191 -1.459 1.00 0.00 C ATOM 1078 OD1 ASP A 69 -8.975 12.147 -0.717 1.00 0.00 O ATOM 1079 OD2 ASP A 69 -8.456 10.595 -2.183 1.00 0.00 O ATOM 0 H ASP A 69 -9.856 10.382 1.366 1.00 0.00 H new ATOM 0 HA ASP A 69 -12.168 9.710 -0.266 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -10.902 10.145 -2.386 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -11.380 11.601 -1.537 1.00 0.00 H new ATOM 1084 N MET A 70 -10.676 7.749 -1.314 1.00 0.00 N ATOM 1085 CA MET A 70 -10.049 6.442 -1.462 1.00 0.00 C ATOM 1086 C MET A 70 -8.537 6.577 -1.616 1.00 0.00 C ATOM 1087 O MET A 70 -7.772 5.955 -0.881 1.00 0.00 O ATOM 1088 CB MET A 70 -10.632 5.701 -2.669 1.00 0.00 C ATOM 1089 CG MET A 70 -10.384 4.201 -2.638 1.00 0.00 C ATOM 1090 SD MET A 70 -9.330 3.637 -3.989 1.00 0.00 S ATOM 1091 CE MET A 70 -7.758 4.349 -3.511 1.00 0.00 C ATOM 0 H MET A 70 -11.354 7.978 -2.041 1.00 0.00 H new ATOM 0 HA MET A 70 -10.255 5.867 -0.559 1.00 0.00 H new ATOM 0 HB2 MET A 70 -11.706 5.883 -2.713 1.00 0.00 H new ATOM 0 HB3 MET A 70 -10.201 6.114 -3.581 1.00 0.00 H new ATOM 0 HG2 MET A 70 -9.922 3.934 -1.687 1.00 0.00 H new ATOM 0 HG3 MET A 70 -11.339 3.679 -2.687 1.00 0.00 H new ATOM 0 HE1 MET A 70 -6.947 3.746 -3.918 1.00 0.00 H new ATOM 0 HE2 MET A 70 -7.685 5.365 -3.900 1.00 0.00 H new ATOM 0 HE3 MET A 70 -7.684 4.370 -2.424 1.00 0.00 H new ATOM 1101 N TYR A 71 -8.113 7.396 -2.575 1.00 0.00 N ATOM 1102 CA TYR A 71 -6.692 7.612 -2.822 1.00 0.00 C ATOM 1103 C TYR A 71 -5.995 8.141 -1.573 1.00 0.00 C ATOM 1104 O TYR A 71 -4.874 7.740 -1.257 1.00 0.00 O ATOM 1105 CB TYR A 71 -6.498 8.592 -3.981 1.00 0.00 C ATOM 1106 CG TYR A 71 -6.966 8.055 -5.315 1.00 0.00 C ATOM 1107 CD1 TYR A 71 -6.370 6.937 -5.883 1.00 0.00 C ATOM 1108 CD2 TYR A 71 -8.006 8.665 -6.005 1.00 0.00 C ATOM 1109 CE1 TYR A 71 -6.795 6.443 -7.102 1.00 0.00 C ATOM 1110 CE2 TYR A 71 -8.438 8.178 -7.224 1.00 0.00 C ATOM 1111 CZ TYR A 71 -7.828 7.067 -7.768 1.00 0.00 C ATOM 1112 OH TYR A 71 -8.255 6.578 -8.981 1.00 0.00 O ATOM 0 H TYR A 71 -8.733 7.920 -3.193 1.00 0.00 H new ATOM 0 HA TYR A 71 -6.246 6.653 -3.086 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -7.037 9.513 -3.761 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -5.442 8.851 -4.054 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -5.561 6.445 -5.364 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -8.485 9.535 -5.581 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -6.320 5.573 -7.530 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -9.248 8.664 -7.747 1.00 0.00 H new ATOM 0 HH TYR A 71 -8.991 7.132 -9.316 1.00 0.00 H new ATOM 1122 N ALA A 72 -6.668 9.040 -0.862 1.00 0.00 N ATOM 1123 CA ALA A 72 -6.115 9.621 0.357 1.00 0.00 C ATOM 1124 C ALA A 72 -5.734 8.531 1.353 1.00 0.00 C ATOM 1125 O ALA A 72 -4.602 8.482 1.834 1.00 0.00 O ATOM 1126 CB ALA A 72 -7.109 10.590 0.979 1.00 0.00 C ATOM 0 H ALA A 72 -7.597 9.382 -1.109 1.00 0.00 H new ATOM 0 HA ALA A 72 -5.211 10.171 0.095 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -6.683 11.015 1.887 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.328 11.390 0.272 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -8.029 10.060 1.224 1.00 0.00 H new ATOM 1132 N ALA A 73 -6.689 7.657 1.656 1.00 0.00 N ATOM 1133 CA ALA A 73 -6.456 6.562 2.592 1.00 0.00 C ATOM 1134 C ALA A 73 -5.226 5.750 2.200 1.00 0.00 C ATOM 1135 O ALA A 73 -4.496 5.259 3.059 1.00 0.00 O ATOM 1136 CB ALA A 73 -7.683 5.665 2.667 1.00 0.00 C ATOM 0 H ALA A 73 -7.632 7.686 1.267 1.00 0.00 H new ATOM 0 HA ALA A 73 -6.271 6.993 3.576 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -7.497 4.852 3.369 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -8.540 6.248 3.006 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -7.893 5.252 1.680 1.00 0.00 H new ATOM 1142 N ILE A 74 -4.999 5.619 0.897 1.00 0.00 N ATOM 1143 CA ILE A 74 -3.853 4.872 0.393 1.00 0.00 C ATOM 1144 C ILE A 74 -2.551 5.610 0.690 1.00 0.00 C ATOM 1145 O ILE A 74 -1.501 4.992 0.868 1.00 0.00 O ATOM 1146 CB ILE A 74 -3.962 4.622 -1.124 1.00 0.00 C ATOM 1147 CG1 ILE A 74 -5.269 3.900 -1.453 1.00 0.00 C ATOM 1148 CG2 ILE A 74 -2.770 3.814 -1.622 1.00 0.00 C ATOM 1149 CD1 ILE A 74 -5.440 2.591 -0.711 1.00 0.00 C ATOM 0 H ILE A 74 -5.593 6.020 0.172 1.00 0.00 H new ATOM 0 HA ILE A 74 -3.849 3.910 0.905 1.00 0.00 H new ATOM 0 HB ILE A 74 -3.960 5.587 -1.632 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -6.107 4.555 -1.215 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -5.309 3.708 -2.525 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -2.866 3.648 -2.695 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -1.849 4.362 -1.420 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -2.741 2.853 -1.108 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -6.389 2.134 -0.993 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -4.622 1.918 -0.968 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -5.432 2.778 0.363 1.00 0.00 H new ATOM 1161 N ASP A 75 -2.628 6.936 0.745 1.00 0.00 N ATOM 1162 CA ASP A 75 -1.454 7.756 1.025 1.00 0.00 C ATOM 1163 C ASP A 75 -0.989 7.562 2.465 1.00 0.00 C ATOM 1164 O ASP A 75 0.175 7.250 2.716 1.00 0.00 O ATOM 1165 CB ASP A 75 -1.766 9.231 0.770 1.00 0.00 C ATOM 1166 CG ASP A 75 -0.511 10.071 0.631 1.00 0.00 C ATOM 1167 OD1 ASP A 75 0.424 9.880 1.437 1.00 0.00 O ATOM 1168 OD2 ASP A 75 -0.462 10.920 -0.284 1.00 0.00 O ATOM 0 H ASP A 75 -3.488 7.465 0.600 1.00 0.00 H new ATOM 0 HA ASP A 75 -0.651 7.442 0.358 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -2.363 9.322 -0.137 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -2.371 9.619 1.590 1.00 0.00 H new ATOM 1173 N GLY A 76 -1.908 7.745 3.408 1.00 0.00 N ATOM 1174 CA GLY A 76 -1.575 7.585 4.811 1.00 0.00 C ATOM 1175 C GLY A 76 -1.322 6.138 5.183 1.00 0.00 C ATOM 1176 O GLY A 76 -0.514 5.849 6.066 1.00 0.00 O ATOM 0 H GLY A 76 -2.878 8.001 3.225 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -0.689 8.177 5.041 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -2.388 7.978 5.422 1.00 0.00 H new ATOM 1180 N LEU A 77 -2.013 5.226 4.506 1.00 0.00 N ATOM 1181 CA LEU A 77 -1.861 3.800 4.769 1.00 0.00 C ATOM 1182 C LEU A 77 -0.486 3.317 4.315 1.00 0.00 C ATOM 1183 O LEU A 77 0.170 2.538 5.007 1.00 0.00 O ATOM 1184 CB LEU A 77 -2.971 3.016 4.053 1.00 0.00 C ATOM 1185 CG LEU A 77 -3.121 1.539 4.443 1.00 0.00 C ATOM 1186 CD1 LEU A 77 -2.028 0.695 3.807 1.00 0.00 C ATOM 1187 CD2 LEU A 77 -3.127 1.361 5.958 1.00 0.00 C ATOM 0 H LEU A 77 -2.684 5.450 3.771 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.945 3.628 5.842 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.920 3.518 4.241 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.790 3.070 2.980 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.083 1.195 4.063 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.157 -0.347 4.099 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -2.089 0.778 2.722 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.053 1.048 4.144 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.235 0.304 6.200 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.190 1.734 6.372 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.960 1.918 6.386 1.00 0.00 H new ATOM 1199 N ILE A 78 -0.051 3.794 3.155 1.00 0.00 N ATOM 1200 CA ILE A 78 1.252 3.419 2.617 1.00 0.00 C ATOM 1201 C ILE A 78 2.371 4.221 3.280 1.00 0.00 C ATOM 1202 O ILE A 78 3.545 3.865 3.176 1.00 0.00 O ATOM 1203 CB ILE A 78 1.309 3.624 1.088 1.00 0.00 C ATOM 1204 CG1 ILE A 78 0.285 2.722 0.398 1.00 0.00 C ATOM 1205 CG2 ILE A 78 2.710 3.340 0.558 1.00 0.00 C ATOM 1206 CD1 ILE A 78 0.566 1.248 0.584 1.00 0.00 C ATOM 0 H ILE A 78 -0.580 4.440 2.569 1.00 0.00 H new ATOM 0 HA ILE A 78 1.396 2.361 2.834 1.00 0.00 H new ATOM 0 HB ILE A 78 1.066 4.664 0.869 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -0.708 2.947 0.787 1.00 0.00 H new ATOM 0 HG13 ILE A 78 0.270 2.950 -0.668 1.00 0.00 H new ATOM 0 HG21 ILE A 78 2.728 3.490 -0.521 1.00 0.00 H new ATOM 0 HG22 ILE A 78 3.422 4.017 1.031 1.00 0.00 H new ATOM 0 HG23 ILE A 78 2.983 2.310 0.785 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -0.198 0.664 0.070 1.00 0.00 H new ATOM 0 HD12 ILE A 78 1.546 1.009 0.170 1.00 0.00 H new ATOM 0 HD13 ILE A 78 0.553 1.006 1.647 1.00 0.00 H new ATOM 1218 N ASP A 79 2.001 5.296 3.970 1.00 0.00 N ATOM 1219 CA ASP A 79 2.978 6.131 4.655 1.00 0.00 C ATOM 1220 C ASP A 79 3.424 5.477 5.957 1.00 0.00 C ATOM 1221 O ASP A 79 4.615 5.250 6.175 1.00 0.00 O ATOM 1222 CB ASP A 79 2.394 7.516 4.937 1.00 0.00 C ATOM 1223 CG ASP A 79 3.462 8.536 5.274 1.00 0.00 C ATOM 1224 OD1 ASP A 79 4.283 8.261 6.174 1.00 0.00 O ATOM 1225 OD2 ASP A 79 3.477 9.611 4.638 1.00 0.00 O ATOM 0 H ASP A 79 1.035 5.607 4.068 1.00 0.00 H new ATOM 0 HA ASP A 79 3.846 6.242 4.005 1.00 0.00 H new ATOM 0 HB2 ASP A 79 1.834 7.855 4.066 1.00 0.00 H new ATOM 0 HB3 ASP A 79 1.687 7.448 5.764 1.00 0.00 H new ATOM 1230 N LYS A 80 2.459 5.169 6.817 1.00 0.00 N ATOM 1231 CA LYS A 80 2.752 4.534 8.096 1.00 0.00 C ATOM 1232 C LYS A 80 3.280 3.119 7.887 1.00 0.00 C ATOM 1233 O LYS A 80 4.107 2.635 8.662 1.00 0.00 O ATOM 1234 CB LYS A 80 1.502 4.505 8.979 1.00 0.00 C ATOM 1235 CG LYS A 80 0.393 3.613 8.443 1.00 0.00 C ATOM 1236 CD LYS A 80 -0.928 3.884 9.144 1.00 0.00 C ATOM 1237 CE LYS A 80 -1.447 5.282 8.841 1.00 0.00 C ATOM 1238 NZ LYS A 80 -1.785 6.030 10.083 1.00 0.00 N ATOM 0 H LYS A 80 1.469 5.349 6.652 1.00 0.00 H new ATOM 0 HA LYS A 80 3.522 5.120 8.598 1.00 0.00 H new ATOM 0 HB2 LYS A 80 1.781 4.163 9.976 1.00 0.00 H new ATOM 0 HB3 LYS A 80 1.120 5.520 9.085 1.00 0.00 H new ATOM 0 HG2 LYS A 80 0.278 3.778 7.372 1.00 0.00 H new ATOM 0 HG3 LYS A 80 0.669 2.567 8.577 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -1.665 3.146 8.830 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -0.800 3.768 10.220 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -0.695 5.834 8.278 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -2.331 5.212 8.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -2.135 6.977 9.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -2.521 5.516 10.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -0.936 6.120 10.676 1.00 0.00 H new ATOM 1252 N LEU A 81 2.802 2.460 6.835 1.00 0.00 N ATOM 1253 CA LEU A 81 3.233 1.101 6.527 1.00 0.00 C ATOM 1254 C LEU A 81 4.721 1.067 6.192 1.00 0.00 C ATOM 1255 O LEU A 81 5.464 0.241 6.721 1.00 0.00 O ATOM 1256 CB LEU A 81 2.420 0.535 5.359 1.00 0.00 C ATOM 1257 CG LEU A 81 1.087 -0.125 5.735 1.00 0.00 C ATOM 1258 CD1 LEU A 81 1.293 -1.598 6.048 1.00 0.00 C ATOM 1259 CD2 LEU A 81 0.436 0.584 6.916 1.00 0.00 C ATOM 0 H LEU A 81 2.118 2.844 6.183 1.00 0.00 H new ATOM 0 HA LEU A 81 3.063 0.484 7.409 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.219 1.343 4.655 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.033 -0.199 4.835 1.00 0.00 H new ATOM 0 HG LEU A 81 0.417 -0.039 4.880 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.338 -2.051 6.313 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.703 -2.102 5.173 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.986 -1.699 6.883 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.507 0.094 7.160 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.101 0.540 7.778 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.247 1.626 6.656 1.00 0.00 H new ATOM 1271 N ALA A 82 5.152 1.970 5.318 1.00 0.00 N ATOM 1272 CA ALA A 82 6.557 2.036 4.925 1.00 0.00 C ATOM 1273 C ALA A 82 7.453 2.245 6.142 1.00 0.00 C ATOM 1274 O ALA A 82 8.370 1.463 6.392 1.00 0.00 O ATOM 1275 CB ALA A 82 6.773 3.146 3.909 1.00 0.00 C ATOM 0 H ALA A 82 4.553 2.663 4.870 1.00 0.00 H new ATOM 0 HA ALA A 82 6.826 1.086 4.464 1.00 0.00 H new ATOM 0 HB1 ALA A 82 7.825 3.181 3.627 1.00 0.00 H new ATOM 0 HB2 ALA A 82 6.166 2.953 3.024 1.00 0.00 H new ATOM 0 HB3 ALA A 82 6.482 4.101 4.346 1.00 0.00 H new ATOM 1281 N ARG A 83 7.181 3.306 6.895 1.00 0.00 N ATOM 1282 CA ARG A 83 7.962 3.624 8.088 1.00 0.00 C ATOM 1283 C ARG A 83 8.048 2.426 9.030 1.00 0.00 C ATOM 1284 O ARG A 83 9.060 2.221 9.700 1.00 0.00 O ATOM 1285 CB ARG A 83 7.347 4.818 8.821 1.00 0.00 C ATOM 1286 CG ARG A 83 7.554 6.144 8.107 1.00 0.00 C ATOM 1287 CD ARG A 83 7.880 7.261 9.085 1.00 0.00 C ATOM 1288 NE ARG A 83 8.001 8.555 8.418 1.00 0.00 N ATOM 1289 CZ ARG A 83 8.373 9.676 9.033 1.00 0.00 C ATOM 1290 NH1 ARG A 83 8.659 9.665 10.330 1.00 0.00 N ATOM 1291 NH2 ARG A 83 8.458 10.810 8.352 1.00 0.00 N ATOM 0 H ARG A 83 6.424 3.962 6.701 1.00 0.00 H new ATOM 0 HA ARG A 83 8.972 3.879 7.767 1.00 0.00 H new ATOM 0 HB2 ARG A 83 6.278 4.645 8.946 1.00 0.00 H new ATOM 0 HB3 ARG A 83 7.778 4.882 9.820 1.00 0.00 H new ATOM 0 HG2 ARG A 83 8.363 6.046 7.383 1.00 0.00 H new ATOM 0 HG3 ARG A 83 6.655 6.401 7.547 1.00 0.00 H new ATOM 0 HD2 ARG A 83 7.100 7.316 9.845 1.00 0.00 H new ATOM 0 HD3 ARG A 83 8.812 7.031 9.601 1.00 0.00 H new ATOM 0 HE ARG A 83 7.788 8.603 7.422 1.00 0.00 H new ATOM 0 HH11 ARG A 83 8.594 8.795 10.859 1.00 0.00 H new ATOM 0 HH12 ARG A 83 8.944 10.526 10.797 1.00 0.00 H new ATOM 0 HH21 ARG A 83 8.238 10.824 7.356 1.00 0.00 H new ATOM 0 HH22 ARG A 83 8.743 11.668 8.824 1.00 0.00 H new ATOM 1305 N GLN A 84 6.982 1.632 9.073 1.00 0.00 N ATOM 1306 CA GLN A 84 6.941 0.452 9.930 1.00 0.00 C ATOM 1307 C GLN A 84 7.790 -0.672 9.344 1.00 0.00 C ATOM 1308 O GLN A 84 8.566 -1.313 10.052 1.00 0.00 O ATOM 1309 CB GLN A 84 5.498 -0.025 10.113 1.00 0.00 C ATOM 1310 CG GLN A 84 4.660 0.890 10.990 1.00 0.00 C ATOM 1311 CD GLN A 84 4.218 0.223 12.278 1.00 0.00 C ATOM 1312 OE1 GLN A 84 4.375 0.777 13.365 1.00 0.00 O ATOM 1313 NE2 GLN A 84 3.656 -0.975 12.159 1.00 0.00 N ATOM 0 H GLN A 84 6.136 1.784 8.525 1.00 0.00 H new ATOM 0 HA GLN A 84 7.350 0.725 10.903 1.00 0.00 H new ATOM 0 HB2 GLN A 84 5.025 -0.109 9.134 1.00 0.00 H new ATOM 0 HB3 GLN A 84 5.507 -1.024 10.549 1.00 0.00 H new ATOM 0 HG2 GLN A 84 5.235 1.785 11.228 1.00 0.00 H new ATOM 0 HG3 GLN A 84 3.781 1.215 10.434 1.00 0.00 H new ATOM 0 HE21 GLN A 84 3.546 -1.397 11.237 1.00 0.00 H new ATOM 0 HE22 GLN A 84 3.335 -1.472 12.990 1.00 0.00 H new ATOM 1322 N LEU A 85 7.635 -0.900 8.045 1.00 0.00 N ATOM 1323 CA LEU A 85 8.389 -1.942 7.357 1.00 0.00 C ATOM 1324 C LEU A 85 9.889 -1.692 7.472 1.00 0.00 C ATOM 1325 O LEU A 85 10.669 -2.622 7.679 1.00 0.00 O ATOM 1326 CB LEU A 85 7.977 -2.014 5.883 1.00 0.00 C ATOM 1327 CG LEU A 85 6.760 -2.896 5.573 1.00 0.00 C ATOM 1328 CD1 LEU A 85 7.200 -4.320 5.272 1.00 0.00 C ATOM 1329 CD2 LEU A 85 5.761 -2.879 6.723 1.00 0.00 C ATOM 0 H LEU A 85 6.995 -0.378 7.447 1.00 0.00 H new ATOM 0 HA LEU A 85 8.162 -2.896 7.833 1.00 0.00 H new ATOM 0 HB2 LEU A 85 7.768 -1.003 5.534 1.00 0.00 H new ATOM 0 HB3 LEU A 85 8.825 -2.382 5.306 1.00 0.00 H new ATOM 0 HG LEU A 85 6.265 -2.489 4.692 1.00 0.00 H new ATOM 0 HD11 LEU A 85 6.325 -4.933 5.054 1.00 0.00 H new ATOM 0 HD12 LEU A 85 7.867 -4.320 4.410 1.00 0.00 H new ATOM 0 HD13 LEU A 85 7.724 -4.729 6.136 1.00 0.00 H new ATOM 0 HD21 LEU A 85 4.910 -3.513 6.475 1.00 0.00 H new ATOM 0 HD22 LEU A 85 6.241 -3.254 7.627 1.00 0.00 H new ATOM 0 HD23 LEU A 85 5.417 -1.858 6.891 1.00 0.00 H new ATOM 1341 N THR A 86 10.284 -0.431 7.337 1.00 0.00 N ATOM 1342 CA THR A 86 11.690 -0.055 7.428 1.00 0.00 C ATOM 1343 C THR A 86 12.224 -0.278 8.840 1.00 0.00 C ATOM 1344 O THR A 86 13.352 -0.736 9.024 1.00 0.00 O ATOM 1345 CB THR A 86 11.872 1.410 7.030 1.00 0.00 C ATOM 1346 OG1 THR A 86 10.695 2.153 7.296 1.00 0.00 O ATOM 1347 CG2 THR A 86 12.212 1.595 5.567 1.00 0.00 C ATOM 0 H THR A 86 9.650 0.349 7.164 1.00 0.00 H new ATOM 0 HA THR A 86 12.254 -0.686 6.742 1.00 0.00 H new ATOM 0 HB THR A 86 12.709 1.770 7.629 1.00 0.00 H new ATOM 0 HG1 THR A 86 10.033 1.978 6.595 1.00 0.00 H new ATOM 0 HG21 THR A 86 12.327 2.657 5.352 1.00 0.00 H new ATOM 0 HG22 THR A 86 13.143 1.076 5.341 1.00 0.00 H new ATOM 0 HG23 THR A 86 11.410 1.185 4.953 1.00 0.00 H new ATOM 1355 N LYS A 87 11.408 0.058 9.832 1.00 0.00 N ATOM 1356 CA LYS A 87 11.796 -0.091 11.231 1.00 0.00 C ATOM 1357 C LYS A 87 12.152 -1.538 11.571 1.00 0.00 C ATOM 1358 O LYS A 87 13.233 -1.812 12.090 1.00 0.00 O ATOM 1359 CB LYS A 87 10.669 0.396 12.145 1.00 0.00 C ATOM 1360 CG LYS A 87 11.147 1.306 13.265 1.00 0.00 C ATOM 1361 CD LYS A 87 10.587 2.713 13.121 1.00 0.00 C ATOM 1362 CE LYS A 87 11.122 3.401 11.876 1.00 0.00 C ATOM 1363 NZ LYS A 87 12.425 4.074 12.131 1.00 0.00 N ATOM 0 H LYS A 87 10.471 0.436 9.694 1.00 0.00 H new ATOM 0 HA LYS A 87 12.686 0.518 11.392 1.00 0.00 H new ATOM 0 HB2 LYS A 87 9.930 0.928 11.546 1.00 0.00 H new ATOM 0 HB3 LYS A 87 10.165 -0.468 12.579 1.00 0.00 H new ATOM 0 HG2 LYS A 87 10.845 0.890 14.226 1.00 0.00 H new ATOM 0 HG3 LYS A 87 12.236 1.345 13.263 1.00 0.00 H new ATOM 0 HD2 LYS A 87 9.499 2.670 13.075 1.00 0.00 H new ATOM 0 HD3 LYS A 87 10.845 3.300 14.002 1.00 0.00 H new ATOM 0 HE2 LYS A 87 11.242 2.667 11.079 1.00 0.00 H new ATOM 0 HE3 LYS A 87 10.396 4.135 11.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 12.756 4.531 11.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 12.305 4.792 12.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 13.125 3.370 12.440 1.00 0.00 H new ATOM 1377 N HIS A 88 11.232 -2.460 11.296 1.00 0.00 N ATOM 1378 CA HIS A 88 11.457 -3.871 11.599 1.00 0.00 C ATOM 1379 C HIS A 88 12.476 -4.500 10.649 1.00 0.00 C ATOM 1380 O HIS A 88 13.333 -5.273 11.072 1.00 0.00 O ATOM 1381 CB HIS A 88 10.132 -4.646 11.559 1.00 0.00 C ATOM 1382 CG HIS A 88 9.734 -5.126 10.193 1.00 0.00 C ATOM 1383 ND1 HIS A 88 10.269 -6.086 9.402 1.00 0.00 N flip ATOM 1384 CD2 HIS A 88 8.658 -4.615 9.497 1.00 0.00 C flip ATOM 1385 CE1 HIS A 88 9.514 -6.137 8.257 1.00 0.00 C flip ATOM 1386 NE2 HIS A 88 8.548 -5.241 8.339 1.00 0.00 N flip ATOM 0 H HIS A 88 10.329 -2.257 10.867 1.00 0.00 H new ATOM 0 HA HIS A 88 11.870 -3.930 12.606 1.00 0.00 H new ATOM 0 HB2 HIS A 88 10.208 -5.506 12.225 1.00 0.00 H new ATOM 0 HB3 HIS A 88 9.340 -4.008 11.951 1.00 0.00 H new ATOM 0 HD1 HIS A 88 11.082 -6.664 9.617 1.00 0.00 H new ATOM 0 HD2 HIS A 88 8.007 -3.826 9.845 1.00 0.00 H new ATOM 0 HE1 HIS A 88 9.683 -6.803 7.423 1.00 0.00 H new ATOM 1395 N LYS A 89 12.374 -4.176 9.364 1.00 0.00 N ATOM 1396 CA LYS A 89 13.289 -4.728 8.368 1.00 0.00 C ATOM 1397 C LYS A 89 14.731 -4.289 8.627 1.00 0.00 C ATOM 1398 O LYS A 89 15.670 -4.891 8.107 1.00 0.00 O ATOM 1399 CB LYS A 89 12.856 -4.322 6.955 1.00 0.00 C ATOM 1400 CG LYS A 89 13.207 -2.888 6.589 1.00 0.00 C ATOM 1401 CD LYS A 89 14.594 -2.793 5.972 1.00 0.00 C ATOM 1402 CE LYS A 89 15.329 -1.549 6.445 1.00 0.00 C ATOM 1403 NZ LYS A 89 16.542 -1.276 5.626 1.00 0.00 N ATOM 0 H LYS A 89 11.672 -3.538 8.988 1.00 0.00 H new ATOM 0 HA LYS A 89 13.249 -5.814 8.451 1.00 0.00 H new ATOM 0 HB2 LYS A 89 13.323 -4.995 6.236 1.00 0.00 H new ATOM 0 HB3 LYS A 89 11.778 -4.456 6.864 1.00 0.00 H new ATOM 0 HG2 LYS A 89 12.468 -2.499 5.888 1.00 0.00 H new ATOM 0 HG3 LYS A 89 13.161 -2.262 7.480 1.00 0.00 H new ATOM 0 HD2 LYS A 89 15.171 -3.680 6.233 1.00 0.00 H new ATOM 0 HD3 LYS A 89 14.510 -2.776 4.885 1.00 0.00 H new ATOM 0 HE2 LYS A 89 14.658 -0.691 6.398 1.00 0.00 H new ATOM 0 HE3 LYS A 89 15.616 -1.672 7.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 17.015 -0.420 5.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 17.194 -2.084 5.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 16.266 -1.133 4.634 1.00 0.00 H new ATOM 1417 N ASP A 90 14.904 -3.243 9.432 1.00 0.00 N ATOM 1418 CA ASP A 90 16.236 -2.741 9.750 1.00 0.00 C ATOM 1419 C ASP A 90 16.998 -3.729 10.631 1.00 0.00 C ATOM 1420 O ASP A 90 18.174 -4.008 10.394 1.00 0.00 O ATOM 1421 CB ASP A 90 16.140 -1.386 10.453 1.00 0.00 C ATOM 1422 CG ASP A 90 17.217 -0.420 9.996 1.00 0.00 C ATOM 1423 OD1 ASP A 90 17.404 -0.276 8.771 1.00 0.00 O ATOM 1424 OD2 ASP A 90 17.871 0.194 10.866 1.00 0.00 O ATOM 0 H ASP A 90 14.141 -2.729 9.874 1.00 0.00 H new ATOM 0 HA ASP A 90 16.782 -2.621 8.814 1.00 0.00 H new ATOM 0 HB2 ASP A 90 15.160 -0.949 10.262 1.00 0.00 H new ATOM 0 HB3 ASP A 90 16.220 -1.532 11.530 1.00 0.00 H new