USER MOD reduce.3.24.130724 H: found=0, std=0, add=697, rem=0, adj=16 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 -40:sc= 1.17 USER MOD Set 1.2: A 62 HIS :FLIP no HD1:sc= 0.49 F(o=-2.3,f=1.7) USER MOD Set 2.1: A 38 TYR OH : rot 6:sc= 0.132 USER MOD Set 2.2: A 55 HIS : no HE2:sc= -2.35 K(o=-2.2,f=-3.3) 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= -1.9 K(o=-1.9,f=-12!) USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 98:sc= 1.17 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= -0.0188 X(o=-0.019,f=0) USER MOD Single : A 30 TYR OH : rot 180:sc= -0.164 USER MOD Single : A 35 ASN : amide:sc= -2.83 K(o=-2.8,f=-4.7!) 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= -0.688 USER MOD Single : A 48 HIS : no HD1:sc= -2.14 X(o=-2.1,f=-1.7) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot -161:sc= -3.27 USER MOD Single : A 57 ASN : amide:sc= -2.32 K(o=-2.3,f=-8.5!) USER MOD Single : A 64 SER OG : rot 180:sc= -1.6 USER MOD Single : A 68 GLN : amide:sc= -0.934 K(o=-0.93,f=-1.8!) USER MOD Single : A 70 MET CE :methyl 140:sc= -5.41! (180deg=-6.77!) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=-0.069) USER MOD Single : A 86 THR OG1 : rot -33:sc= 1.07 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 HIS :FLIP no HE2:sc= -4.16! C(o=-8.7!,f=-4.2!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 37 N LEU A 3 0.296 -10.748 -4.761 1.00 0.00 N ATOM 38 CA LEU A 3 -0.562 -9.813 -4.042 1.00 0.00 C ATOM 39 C LEU A 3 -1.873 -9.593 -4.791 1.00 0.00 C ATOM 40 O LEU A 3 -1.913 -9.643 -6.020 1.00 0.00 O ATOM 41 CB LEU A 3 0.158 -8.478 -3.838 1.00 0.00 C ATOM 42 CG LEU A 3 0.390 -7.661 -5.111 1.00 0.00 C ATOM 43 CD1 LEU A 3 0.431 -6.176 -4.789 1.00 0.00 C ATOM 44 CD2 LEU A 3 1.677 -8.097 -5.795 1.00 0.00 C ATOM 0 HA LEU A 3 -0.791 -10.243 -3.067 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -0.421 -7.875 -3.139 1.00 0.00 H new ATOM 0 HB3 LEU A 3 1.123 -8.672 -3.369 1.00 0.00 H new ATOM 0 HG LEU A 3 -0.440 -7.841 -5.794 1.00 0.00 H new ATOM 0 HD11 LEU A 3 0.597 -5.609 -5.705 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -0.516 -5.874 -4.342 1.00 0.00 H new ATOM 0 HD13 LEU A 3 1.242 -5.978 -4.088 1.00 0.00 H new ATOM 0 HD21 LEU A 3 1.827 -7.506 -6.699 1.00 0.00 H new ATOM 0 HD22 LEU A 3 2.518 -7.945 -5.118 1.00 0.00 H new ATOM 0 HD23 LEU A 3 1.609 -9.152 -6.059 1.00 0.00 H new ATOM 56 N ASN A 4 -2.942 -9.347 -4.043 1.00 0.00 N ATOM 57 CA ASN A 4 -4.254 -9.119 -4.636 1.00 0.00 C ATOM 58 C ASN A 4 -4.998 -8.006 -3.904 1.00 0.00 C ATOM 59 O ASN A 4 -4.697 -7.697 -2.751 1.00 0.00 O ATOM 60 CB ASN A 4 -5.080 -10.408 -4.610 1.00 0.00 C ATOM 61 CG ASN A 4 -5.623 -10.774 -5.977 1.00 0.00 C ATOM 62 OD1 ASN A 4 -4.943 -11.417 -6.777 1.00 0.00 O ATOM 63 ND2 ASN A 4 -6.857 -10.364 -6.251 1.00 0.00 N ATOM 0 H ASN A 4 -2.926 -9.300 -3.024 1.00 0.00 H new ATOM 0 HA ASN A 4 -4.108 -8.811 -5.671 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -4.462 -11.225 -4.237 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -5.909 -10.291 -3.912 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -7.277 -10.580 -7.155 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -7.384 -9.833 -5.557 1.00 0.00 H new ATOM 70 N ILE A 5 -5.973 -7.410 -4.583 1.00 0.00 N ATOM 71 CA ILE A 5 -6.761 -6.329 -4.001 1.00 0.00 C ATOM 72 C ILE A 5 -8.253 -6.642 -4.080 1.00 0.00 C ATOM 73 O ILE A 5 -8.696 -7.381 -4.958 1.00 0.00 O ATOM 74 CB ILE A 5 -6.497 -4.972 -4.699 1.00 0.00 C ATOM 75 CG1 ILE A 5 -5.713 -5.168 -6.000 1.00 0.00 C ATOM 76 CG2 ILE A 5 -5.750 -4.033 -3.765 1.00 0.00 C ATOM 77 CD1 ILE A 5 -5.744 -3.960 -6.912 1.00 0.00 C ATOM 0 H ILE A 5 -6.236 -7.657 -5.537 1.00 0.00 H new ATOM 0 HA ILE A 5 -6.453 -6.248 -2.959 1.00 0.00 H new ATOM 0 HB ILE A 5 -7.459 -4.525 -4.948 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -4.677 -5.404 -5.758 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -6.120 -6.027 -6.534 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -5.572 -3.084 -4.270 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -6.346 -3.861 -2.869 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -4.796 -4.480 -3.486 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -5.169 -4.170 -7.814 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -6.775 -3.736 -7.184 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -5.310 -3.103 -6.396 1.00 0.00 H new ATOM 89 N THR A 6 -9.023 -6.068 -3.161 1.00 0.00 N ATOM 90 CA THR A 6 -10.464 -6.277 -3.130 1.00 0.00 C ATOM 91 C THR A 6 -11.184 -4.953 -2.900 1.00 0.00 C ATOM 92 O THR A 6 -10.574 -3.974 -2.470 1.00 0.00 O ATOM 93 CB THR A 6 -10.835 -7.274 -2.031 1.00 0.00 C ATOM 94 OG1 THR A 6 -9.871 -8.306 -1.943 1.00 0.00 O ATOM 95 CG2 THR A 6 -12.187 -7.923 -2.243 1.00 0.00 C ATOM 0 H THR A 6 -8.671 -5.453 -2.427 1.00 0.00 H new ATOM 0 HA THR A 6 -10.775 -6.685 -4.092 1.00 0.00 H new ATOM 0 HB THR A 6 -10.871 -6.690 -1.112 1.00 0.00 H new ATOM 0 HG1 THR A 6 -10.126 -8.932 -1.233 1.00 0.00 H new ATOM 0 HG21 THR A 6 -12.388 -8.619 -1.428 1.00 0.00 H new ATOM 0 HG22 THR A 6 -12.960 -7.155 -2.264 1.00 0.00 H new ATOM 0 HG23 THR A 6 -12.187 -8.463 -3.190 1.00 0.00 H new ATOM 103 N GLY A 7 -12.479 -4.922 -3.193 1.00 0.00 N ATOM 104 CA GLY A 7 -13.242 -3.700 -3.012 1.00 0.00 C ATOM 105 C GLY A 7 -14.660 -3.953 -2.539 1.00 0.00 C ATOM 106 O GLY A 7 -15.412 -4.692 -3.174 1.00 0.00 O ATOM 0 H GLY A 7 -13.012 -5.715 -3.550 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -12.732 -3.063 -2.289 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.271 -3.153 -3.954 1.00 0.00 H new ATOM 110 N ASN A 8 -15.030 -3.318 -1.432 1.00 0.00 N ATOM 111 CA ASN A 8 -16.374 -3.458 -0.877 1.00 0.00 C ATOM 112 C ASN A 8 -17.251 -2.302 -1.344 1.00 0.00 C ATOM 113 O ASN A 8 -16.982 -1.144 -1.029 1.00 0.00 O ATOM 114 CB ASN A 8 -16.337 -3.509 0.656 1.00 0.00 C ATOM 115 CG ASN A 8 -15.255 -2.633 1.259 1.00 0.00 C ATOM 116 OD1 ASN A 8 -14.648 -1.811 0.572 1.00 0.00 O ATOM 117 ND2 ASN A 8 -15.004 -2.807 2.552 1.00 0.00 N ATOM 0 H ASN A 8 -14.418 -2.700 -0.900 1.00 0.00 H new ATOM 0 HA ASN A 8 -16.796 -4.397 -1.235 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -17.306 -3.198 1.047 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -16.180 -4.539 0.975 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -14.285 -2.248 3.012 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -15.530 -3.499 3.085 1.00 0.00 H new ATOM 124 N ASN A 9 -18.292 -2.628 -2.114 1.00 0.00 N ATOM 125 CA ASN A 9 -19.213 -1.623 -2.654 1.00 0.00 C ATOM 126 C ASN A 9 -18.669 -1.048 -3.961 1.00 0.00 C ATOM 127 O ASN A 9 -19.411 -0.860 -4.926 1.00 0.00 O ATOM 128 CB ASN A 9 -19.461 -0.495 -1.646 1.00 0.00 C ATOM 129 CG ASN A 9 -20.757 0.245 -1.915 1.00 0.00 C ATOM 130 OD1 ASN A 9 -20.780 1.235 -2.646 1.00 0.00 O ATOM 131 ND2 ASN A 9 -21.845 -0.232 -1.321 1.00 0.00 N ATOM 0 H ASN A 9 -18.520 -3.586 -2.379 1.00 0.00 H new ATOM 0 HA ASN A 9 -20.165 -2.117 -2.851 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -19.485 -0.910 -0.639 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -18.630 0.209 -1.681 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -22.746 0.225 -1.463 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -21.780 -1.056 -0.723 1.00 0.00 H new ATOM 138 N VAL A 10 -17.371 -0.759 -3.978 1.00 0.00 N ATOM 139 CA VAL A 10 -16.723 -0.189 -5.152 1.00 0.00 C ATOM 140 C VAL A 10 -16.074 -1.283 -5.999 1.00 0.00 C ATOM 141 O VAL A 10 -15.938 -2.423 -5.554 1.00 0.00 O ATOM 142 CB VAL A 10 -15.655 0.841 -4.733 1.00 0.00 C ATOM 143 CG1 VAL A 10 -14.581 0.175 -3.895 1.00 0.00 C ATOM 144 CG2 VAL A 10 -15.046 1.526 -5.945 1.00 0.00 C ATOM 0 H VAL A 10 -16.746 -0.912 -3.187 1.00 0.00 H new ATOM 0 HA VAL A 10 -17.488 0.310 -5.747 1.00 0.00 H new ATOM 0 HB VAL A 10 -16.141 1.608 -4.130 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -13.834 0.914 -3.607 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -15.032 -0.254 -3.000 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -14.104 -0.615 -4.475 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -14.297 2.247 -5.617 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -14.576 0.780 -6.587 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -15.828 2.043 -6.502 1.00 0.00 H new ATOM 154 N GLU A 11 -15.674 -0.931 -7.217 1.00 0.00 N ATOM 155 CA GLU A 11 -15.038 -1.883 -8.121 1.00 0.00 C ATOM 156 C GLU A 11 -13.562 -1.551 -8.314 1.00 0.00 C ATOM 157 O GLU A 11 -13.168 -0.387 -8.272 1.00 0.00 O ATOM 158 CB GLU A 11 -15.753 -1.890 -9.473 1.00 0.00 C ATOM 159 CG GLU A 11 -15.866 -0.516 -10.110 1.00 0.00 C ATOM 160 CD GLU A 11 -17.235 0.107 -9.915 1.00 0.00 C ATOM 161 OE1 GLU A 11 -18.241 -0.622 -10.039 1.00 0.00 O ATOM 162 OE2 GLU A 11 -17.300 1.323 -9.637 1.00 0.00 O ATOM 0 H GLU A 11 -15.779 0.008 -7.601 1.00 0.00 H new ATOM 0 HA GLU A 11 -15.112 -2.874 -7.674 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -15.219 -2.553 -10.153 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -16.753 -2.304 -9.343 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -15.108 0.141 -9.684 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -15.656 -0.596 -11.177 1.00 0.00 H new ATOM 169 N ILE A 12 -12.752 -2.581 -8.533 1.00 0.00 N ATOM 170 CA ILE A 12 -11.322 -2.394 -8.742 1.00 0.00 C ATOM 171 C ILE A 12 -11.033 -1.975 -10.179 1.00 0.00 C ATOM 172 O ILE A 12 -11.054 -2.799 -11.092 1.00 0.00 O ATOM 173 CB ILE A 12 -10.533 -3.680 -8.424 1.00 0.00 C ATOM 174 CG1 ILE A 12 -10.936 -4.228 -7.054 1.00 0.00 C ATOM 175 CG2 ILE A 12 -9.037 -3.409 -8.472 1.00 0.00 C ATOM 176 CD1 ILE A 12 -10.577 -3.310 -5.906 1.00 0.00 C ATOM 0 H ILE A 12 -13.061 -3.552 -8.570 1.00 0.00 H new ATOM 0 HA ILE A 12 -11.001 -1.605 -8.062 1.00 0.00 H new ATOM 0 HB ILE A 12 -10.772 -4.430 -9.178 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -12.012 -4.405 -7.045 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -10.453 -5.193 -6.901 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -8.494 -4.326 -8.245 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -8.762 -3.061 -9.468 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -8.782 -2.645 -7.737 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -10.892 -3.763 -4.966 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -9.499 -3.153 -5.889 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -11.081 -2.352 -6.035 1.00 0.00 H new ATOM 188 N THR A 13 -10.763 -0.686 -10.372 1.00 0.00 N ATOM 189 CA THR A 13 -10.472 -0.158 -11.701 1.00 0.00 C ATOM 190 C THR A 13 -8.969 -0.113 -11.951 1.00 0.00 C ATOM 191 O THR A 13 -8.188 0.176 -11.044 1.00 0.00 O ATOM 192 CB THR A 13 -11.068 1.241 -11.856 1.00 0.00 C ATOM 193 OG1 THR A 13 -10.418 2.163 -11.000 1.00 0.00 O ATOM 194 CG2 THR A 13 -12.549 1.298 -11.550 1.00 0.00 C ATOM 0 H THR A 13 -10.740 0.010 -9.627 1.00 0.00 H new ATOM 0 HA THR A 13 -10.924 -0.823 -12.437 1.00 0.00 H new ATOM 0 HB THR A 13 -10.918 1.502 -12.904 1.00 0.00 H new ATOM 0 HG1 THR A 13 -10.813 3.052 -11.116 1.00 0.00 H new ATOM 0 HG21 THR A 13 -12.908 2.319 -11.679 1.00 0.00 H new ATOM 0 HG22 THR A 13 -13.086 0.636 -12.228 1.00 0.00 H new ATOM 0 HG23 THR A 13 -12.720 0.981 -10.521 1.00 0.00 H new ATOM 202 N GLU A 14 -8.572 -0.413 -13.189 1.00 0.00 N ATOM 203 CA GLU A 14 -7.162 -0.422 -13.580 1.00 0.00 C ATOM 204 C GLU A 14 -6.368 0.690 -12.898 1.00 0.00 C ATOM 205 O GLU A 14 -5.235 0.477 -12.468 1.00 0.00 O ATOM 206 CB GLU A 14 -7.038 -0.287 -15.098 1.00 0.00 C ATOM 207 CG GLU A 14 -7.705 -1.416 -15.866 1.00 0.00 C ATOM 208 CD GLU A 14 -6.884 -1.877 -17.056 1.00 0.00 C ATOM 209 OE1 GLU A 14 -6.047 -2.786 -16.883 1.00 0.00 O ATOM 210 OE2 GLU A 14 -7.081 -1.327 -18.161 1.00 0.00 O ATOM 0 H GLU A 14 -9.214 -0.655 -13.944 1.00 0.00 H new ATOM 0 HA GLU A 14 -6.742 -1.375 -13.257 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -7.478 0.661 -15.407 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.982 -0.251 -15.366 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -7.870 -2.259 -15.195 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -8.685 -1.086 -16.211 1.00 0.00 H new ATOM 217 N ALA A 15 -6.963 1.875 -12.799 1.00 0.00 N ATOM 218 CA ALA A 15 -6.300 3.007 -12.165 1.00 0.00 C ATOM 219 C ALA A 15 -6.088 2.754 -10.677 1.00 0.00 C ATOM 220 O ALA A 15 -4.993 2.957 -10.152 1.00 0.00 O ATOM 221 CB ALA A 15 -7.106 4.278 -12.378 1.00 0.00 C ATOM 0 H ALA A 15 -7.900 2.075 -13.149 1.00 0.00 H new ATOM 0 HA ALA A 15 -5.321 3.130 -12.629 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -6.599 5.115 -11.899 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -7.201 4.474 -13.446 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -8.098 4.157 -11.942 1.00 0.00 H new ATOM 227 N LEU A 16 -7.143 2.306 -10.003 1.00 0.00 N ATOM 228 CA LEU A 16 -7.073 2.022 -8.574 1.00 0.00 C ATOM 229 C LEU A 16 -5.995 0.982 -8.284 1.00 0.00 C ATOM 230 O LEU A 16 -5.042 1.248 -7.553 1.00 0.00 O ATOM 231 CB LEU A 16 -8.428 1.526 -8.064 1.00 0.00 C ATOM 232 CG LEU A 16 -8.457 1.131 -6.586 1.00 0.00 C ATOM 233 CD1 LEU A 16 -8.487 2.371 -5.704 1.00 0.00 C ATOM 234 CD2 LEU A 16 -9.657 0.239 -6.300 1.00 0.00 C ATOM 0 H LEU A 16 -8.056 2.132 -10.423 1.00 0.00 H new ATOM 0 HA LEU A 16 -6.815 2.945 -8.055 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -9.170 2.307 -8.231 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -8.731 0.666 -8.661 1.00 0.00 H new ATOM 0 HG LEU A 16 -7.550 0.571 -6.358 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -8.507 2.072 -4.656 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -7.598 2.973 -5.892 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -9.377 2.958 -5.931 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -9.664 -0.034 -5.245 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -10.575 0.775 -6.543 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -9.592 -0.664 -6.908 1.00 0.00 H new ATOM 246 N ARG A 17 -6.154 -0.202 -8.869 1.00 0.00 N ATOM 247 CA ARG A 17 -5.191 -1.284 -8.677 1.00 0.00 C ATOM 248 C ARG A 17 -3.774 -0.807 -8.982 1.00 0.00 C ATOM 249 O ARG A 17 -2.827 -1.143 -8.273 1.00 0.00 O ATOM 250 CB ARG A 17 -5.547 -2.483 -9.562 1.00 0.00 C ATOM 251 CG ARG A 17 -5.609 -2.157 -11.045 1.00 0.00 C ATOM 252 CD ARG A 17 -5.630 -3.421 -11.892 1.00 0.00 C ATOM 253 NE ARG A 17 -4.802 -3.290 -13.090 1.00 0.00 N ATOM 254 CZ ARG A 17 -4.319 -4.323 -13.775 1.00 0.00 C ATOM 255 NH1 ARG A 17 -4.581 -5.567 -13.390 1.00 0.00 N ATOM 256 NH2 ARG A 17 -3.570 -4.114 -14.851 1.00 0.00 N ATOM 0 H ARG A 17 -6.938 -0.437 -9.478 1.00 0.00 H new ATOM 0 HA ARG A 17 -5.234 -1.595 -7.633 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -4.810 -3.270 -9.404 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -6.512 -2.881 -9.247 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -6.500 -1.564 -11.252 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -4.749 -1.547 -11.321 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -5.276 -4.263 -11.297 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -6.656 -3.646 -12.183 1.00 0.00 H new ATOM 0 HE ARG A 17 -4.582 -2.350 -13.420 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -5.156 -5.735 -12.564 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -4.207 -6.354 -13.920 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -3.365 -3.161 -15.152 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -3.200 -4.906 -15.376 1.00 0.00 H new ATOM 270 N GLU A 18 -3.639 -0.019 -10.044 1.00 0.00 N ATOM 271 CA GLU A 18 -2.340 0.509 -10.448 1.00 0.00 C ATOM 272 C GLU A 18 -1.767 1.429 -9.375 1.00 0.00 C ATOM 273 O GLU A 18 -0.629 1.254 -8.941 1.00 0.00 O ATOM 274 CB GLU A 18 -2.464 1.265 -11.771 1.00 0.00 C ATOM 275 CG GLU A 18 -2.243 0.389 -12.996 1.00 0.00 C ATOM 276 CD GLU A 18 -0.786 0.017 -13.189 1.00 0.00 C ATOM 277 OE1 GLU A 18 -0.204 -0.598 -12.271 1.00 0.00 O ATOM 278 OE2 GLU A 18 -0.228 0.338 -14.259 1.00 0.00 O ATOM 0 H GLU A 18 -4.414 0.268 -10.641 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.659 -0.332 -10.579 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.455 1.716 -11.831 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.741 2.081 -11.783 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.837 -0.520 -12.901 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.601 0.912 -13.882 1.00 0.00 H new ATOM 285 N PHE A 19 -2.560 2.411 -8.954 1.00 0.00 N ATOM 286 CA PHE A 19 -2.128 3.364 -7.934 1.00 0.00 C ATOM 287 C PHE A 19 -1.616 2.648 -6.688 1.00 0.00 C ATOM 288 O PHE A 19 -0.536 2.958 -6.185 1.00 0.00 O ATOM 289 CB PHE A 19 -3.281 4.297 -7.561 1.00 0.00 C ATOM 290 CG PHE A 19 -2.869 5.429 -6.662 1.00 0.00 C ATOM 291 CD1 PHE A 19 -2.840 5.266 -5.288 1.00 0.00 C ATOM 292 CD2 PHE A 19 -2.512 6.657 -7.196 1.00 0.00 C ATOM 293 CE1 PHE A 19 -2.463 6.305 -4.459 1.00 0.00 C ATOM 294 CE2 PHE A 19 -2.134 7.701 -6.373 1.00 0.00 C ATOM 295 CZ PHE A 19 -2.109 7.525 -5.004 1.00 0.00 C ATOM 0 H PHE A 19 -3.505 2.568 -9.303 1.00 0.00 H new ATOM 0 HA PHE A 19 -1.309 3.951 -8.350 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -3.716 4.707 -8.473 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -4.062 3.718 -7.068 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -3.116 4.314 -4.858 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -2.529 6.800 -8.266 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -2.445 6.164 -3.388 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -1.858 8.654 -6.801 1.00 0.00 H new ATOM 0 HZ PHE A 19 -1.813 8.340 -4.360 1.00 0.00 H new ATOM 305 N VAL A 20 -2.395 1.691 -6.193 1.00 0.00 N ATOM 306 CA VAL A 20 -2.013 0.937 -5.005 1.00 0.00 C ATOM 307 C VAL A 20 -0.689 0.213 -5.223 1.00 0.00 C ATOM 308 O VAL A 20 0.189 0.230 -4.359 1.00 0.00 O ATOM 309 CB VAL A 20 -3.091 -0.091 -4.618 1.00 0.00 C ATOM 310 CG1 VAL A 20 -2.766 -0.727 -3.275 1.00 0.00 C ATOM 311 CG2 VAL A 20 -4.465 0.562 -4.589 1.00 0.00 C ATOM 0 H VAL A 20 -3.292 1.420 -6.595 1.00 0.00 H new ATOM 0 HA VAL A 20 -1.905 1.656 -4.193 1.00 0.00 H new ATOM 0 HB VAL A 20 -3.104 -0.878 -5.372 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.540 -1.451 -3.019 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -1.802 -1.232 -3.335 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.723 0.046 -2.507 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -5.215 -0.180 -4.314 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -4.468 1.370 -3.858 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -4.698 0.964 -5.575 1.00 0.00 H new ATOM 321 N THR A 21 -0.550 -0.418 -6.384 1.00 0.00 N ATOM 322 CA THR A 21 0.670 -1.142 -6.718 1.00 0.00 C ATOM 323 C THR A 21 1.818 -0.173 -6.983 1.00 0.00 C ATOM 324 O THR A 21 2.980 -0.488 -6.731 1.00 0.00 O ATOM 325 CB THR A 21 0.443 -2.029 -7.943 1.00 0.00 C ATOM 326 OG1 THR A 21 -0.846 -2.615 -7.905 1.00 0.00 O ATOM 327 CG2 THR A 21 1.453 -3.151 -8.066 1.00 0.00 C ATOM 0 H THR A 21 -1.267 -0.442 -7.109 1.00 0.00 H new ATOM 0 HA THR A 21 0.935 -1.771 -5.868 1.00 0.00 H new ATOM 0 HB THR A 21 0.552 -1.368 -8.803 1.00 0.00 H new ATOM 0 HG1 THR A 21 -1.461 -2.088 -8.457 1.00 0.00 H new ATOM 0 HG21 THR A 21 1.234 -3.741 -8.956 1.00 0.00 H new ATOM 0 HG22 THR A 21 2.456 -2.731 -8.147 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.397 -3.789 -7.184 1.00 0.00 H new ATOM 335 N ALA A 22 1.481 1.010 -7.490 1.00 0.00 N ATOM 336 CA ALA A 22 2.480 2.029 -7.787 1.00 0.00 C ATOM 337 C ALA A 22 3.296 2.372 -6.544 1.00 0.00 C ATOM 338 O ALA A 22 4.521 2.477 -6.603 1.00 0.00 O ATOM 339 CB ALA A 22 1.813 3.276 -8.344 1.00 0.00 C ATOM 0 H ALA A 22 0.522 1.285 -7.703 1.00 0.00 H new ATOM 0 HA ALA A 22 3.160 1.630 -8.539 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.571 4.028 -8.561 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.279 3.024 -9.260 1.00 0.00 H new ATOM 0 HB3 ALA A 22 1.110 3.671 -7.611 1.00 0.00 H new ATOM 345 N LYS A 23 2.607 2.542 -5.421 1.00 0.00 N ATOM 346 CA LYS A 23 3.268 2.866 -4.162 1.00 0.00 C ATOM 347 C LYS A 23 4.022 1.655 -3.627 1.00 0.00 C ATOM 348 O LYS A 23 5.191 1.753 -3.249 1.00 0.00 O ATOM 349 CB LYS A 23 2.244 3.344 -3.132 1.00 0.00 C ATOM 350 CG LYS A 23 1.366 4.482 -3.628 1.00 0.00 C ATOM 351 CD LYS A 23 1.543 5.736 -2.784 1.00 0.00 C ATOM 352 CE LYS A 23 1.575 6.990 -3.645 1.00 0.00 C ATOM 353 NZ LYS A 23 2.856 7.735 -3.492 1.00 0.00 N ATOM 0 H LYS A 23 1.592 2.461 -5.357 1.00 0.00 H new ATOM 0 HA LYS A 23 3.983 3.668 -4.346 1.00 0.00 H new ATOM 0 HB2 LYS A 23 1.610 2.505 -2.847 1.00 0.00 H new ATOM 0 HB3 LYS A 23 2.769 3.667 -2.233 1.00 0.00 H new ATOM 0 HG2 LYS A 23 1.610 4.705 -4.667 1.00 0.00 H new ATOM 0 HG3 LYS A 23 0.321 4.172 -3.606 1.00 0.00 H new ATOM 0 HD2 LYS A 23 0.728 5.809 -2.064 1.00 0.00 H new ATOM 0 HD3 LYS A 23 2.468 5.663 -2.212 1.00 0.00 H new ATOM 0 HE2 LYS A 23 1.437 6.716 -4.691 1.00 0.00 H new ATOM 0 HE3 LYS A 23 0.743 7.639 -3.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 2.839 8.583 -4.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 2.976 8.019 -2.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 3.649 7.125 -3.776 1.00 0.00 H new ATOM 367 N PHE A 24 3.347 0.508 -3.605 1.00 0.00 N ATOM 368 CA PHE A 24 3.955 -0.727 -3.122 1.00 0.00 C ATOM 369 C PHE A 24 5.270 -0.997 -3.845 1.00 0.00 C ATOM 370 O PHE A 24 6.278 -1.323 -3.219 1.00 0.00 O ATOM 371 CB PHE A 24 2.996 -1.904 -3.316 1.00 0.00 C ATOM 372 CG PHE A 24 2.306 -2.330 -2.051 1.00 0.00 C ATOM 373 CD1 PHE A 24 2.918 -3.213 -1.177 1.00 0.00 C ATOM 374 CD2 PHE A 24 1.046 -1.846 -1.737 1.00 0.00 C ATOM 375 CE1 PHE A 24 2.286 -3.607 -0.013 1.00 0.00 C ATOM 376 CE2 PHE A 24 0.409 -2.236 -0.574 1.00 0.00 C ATOM 377 CZ PHE A 24 1.029 -3.118 0.289 1.00 0.00 C ATOM 0 H PHE A 24 2.381 0.409 -3.916 1.00 0.00 H new ATOM 0 HA PHE A 24 4.162 -0.613 -2.058 1.00 0.00 H new ATOM 0 HB2 PHE A 24 2.244 -1.631 -4.056 1.00 0.00 H new ATOM 0 HB3 PHE A 24 3.550 -2.751 -3.721 1.00 0.00 H new ATOM 0 HD1 PHE A 24 3.900 -3.598 -1.408 1.00 0.00 H new ATOM 0 HD2 PHE A 24 0.556 -1.156 -2.409 1.00 0.00 H new ATOM 0 HE1 PHE A 24 2.774 -4.296 0.660 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -0.573 -1.851 -0.340 1.00 0.00 H new ATOM 0 HZ PHE A 24 0.533 -3.425 1.198 1.00 0.00 H new ATOM 387 N ALA A 25 5.253 -0.857 -5.168 1.00 0.00 N ATOM 388 CA ALA A 25 6.446 -1.079 -5.978 1.00 0.00 C ATOM 389 C ALA A 25 7.610 -0.235 -5.469 1.00 0.00 C ATOM 390 O ALA A 25 8.726 -0.730 -5.310 1.00 0.00 O ATOM 391 CB ALA A 25 6.160 -0.766 -7.438 1.00 0.00 C ATOM 0 H ALA A 25 4.425 -0.591 -5.702 1.00 0.00 H new ATOM 0 HA ALA A 25 6.726 -2.129 -5.896 1.00 0.00 H new ATOM 0 HB1 ALA A 25 7.059 -0.936 -8.030 1.00 0.00 H new ATOM 0 HB2 ALA A 25 5.360 -1.413 -7.799 1.00 0.00 H new ATOM 0 HB3 ALA A 25 5.855 0.276 -7.534 1.00 0.00 H new ATOM 397 N LYS A 26 7.337 1.039 -5.207 1.00 0.00 N ATOM 398 CA LYS A 26 8.358 1.950 -4.704 1.00 0.00 C ATOM 399 C LYS A 26 8.910 1.450 -3.374 1.00 0.00 C ATOM 400 O LYS A 26 10.063 1.710 -3.028 1.00 0.00 O ATOM 401 CB LYS A 26 7.782 3.357 -4.537 1.00 0.00 C ATOM 402 CG LYS A 26 8.835 4.452 -4.557 1.00 0.00 C ATOM 403 CD LYS A 26 9.266 4.834 -3.151 1.00 0.00 C ATOM 404 CE LYS A 26 8.367 5.913 -2.567 1.00 0.00 C ATOM 405 NZ LYS A 26 8.953 7.272 -2.728 1.00 0.00 N ATOM 0 H LYS A 26 6.418 1.463 -5.335 1.00 0.00 H new ATOM 0 HA LYS A 26 9.171 1.988 -5.429 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.062 3.543 -5.334 1.00 0.00 H new ATOM 0 HB3 LYS A 26 7.235 3.407 -3.595 1.00 0.00 H new ATOM 0 HG2 LYS A 26 9.702 4.115 -5.126 1.00 0.00 H new ATOM 0 HG3 LYS A 26 8.440 5.329 -5.069 1.00 0.00 H new ATOM 0 HD2 LYS A 26 9.242 3.953 -2.510 1.00 0.00 H new ATOM 0 HD3 LYS A 26 10.297 5.188 -3.169 1.00 0.00 H new ATOM 0 HE2 LYS A 26 7.393 5.878 -3.055 1.00 0.00 H new ATOM 0 HE3 LYS A 26 8.200 5.713 -1.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 8.310 7.978 -2.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 9.871 7.314 -2.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 9.089 7.474 -3.739 1.00 0.00 H new ATOM 419 N LEU A 27 8.079 0.721 -2.635 1.00 0.00 N ATOM 420 CA LEU A 27 8.480 0.170 -1.346 1.00 0.00 C ATOM 421 C LEU A 27 9.216 -1.156 -1.532 1.00 0.00 C ATOM 422 O LEU A 27 10.016 -1.562 -0.690 1.00 0.00 O ATOM 423 CB LEU A 27 7.256 -0.035 -0.451 1.00 0.00 C ATOM 424 CG LEU A 27 6.766 1.216 0.278 1.00 0.00 C ATOM 425 CD1 LEU A 27 6.110 2.181 -0.697 1.00 0.00 C ATOM 426 CD2 LEU A 27 5.798 0.838 1.389 1.00 0.00 C ATOM 0 H LEU A 27 7.122 0.498 -2.908 1.00 0.00 H new ATOM 0 HA LEU A 27 9.155 0.880 -0.867 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.441 -0.423 -1.061 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.491 -0.799 0.290 1.00 0.00 H new ATOM 0 HG LEU A 27 7.627 1.714 0.725 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.768 3.065 -0.159 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.832 2.476 -1.458 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.259 1.694 -1.174 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.458 1.740 1.898 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.940 0.317 0.963 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.301 0.186 2.103 1.00 0.00 H new ATOM 438 N GLU A 28 8.930 -1.824 -2.646 1.00 0.00 N ATOM 439 CA GLU A 28 9.548 -3.106 -2.968 1.00 0.00 C ATOM 440 C GLU A 28 11.049 -2.962 -3.216 1.00 0.00 C ATOM 441 O GLU A 28 11.773 -3.957 -3.262 1.00 0.00 O ATOM 442 CB GLU A 28 8.876 -3.721 -4.197 1.00 0.00 C ATOM 443 CG GLU A 28 9.199 -5.193 -4.393 1.00 0.00 C ATOM 444 CD GLU A 28 8.536 -6.077 -3.356 1.00 0.00 C ATOM 445 OE1 GLU A 28 7.300 -6.246 -3.421 1.00 0.00 O ATOM 446 OE2 GLU A 28 9.253 -6.603 -2.478 1.00 0.00 O ATOM 0 H GLU A 28 8.267 -1.494 -3.347 1.00 0.00 H new ATOM 0 HA GLU A 28 9.410 -3.764 -2.110 1.00 0.00 H new ATOM 0 HB2 GLU A 28 7.796 -3.603 -4.108 1.00 0.00 H new ATOM 0 HB3 GLU A 28 9.185 -3.168 -5.084 1.00 0.00 H new ATOM 0 HG2 GLU A 28 8.878 -5.502 -5.388 1.00 0.00 H new ATOM 0 HG3 GLU A 28 10.279 -5.334 -4.348 1.00 0.00 H new ATOM 453 N GLN A 29 11.517 -1.727 -3.374 1.00 0.00 N ATOM 454 CA GLN A 29 12.934 -1.476 -3.615 1.00 0.00 C ATOM 455 C GLN A 29 13.772 -1.853 -2.398 1.00 0.00 C ATOM 456 O GLN A 29 14.772 -2.561 -2.518 1.00 0.00 O ATOM 457 CB GLN A 29 13.159 -0.004 -3.968 1.00 0.00 C ATOM 458 CG GLN A 29 14.546 0.283 -4.518 1.00 0.00 C ATOM 459 CD GLN A 29 14.800 1.764 -4.716 1.00 0.00 C ATOM 460 OE1 GLN A 29 15.059 2.219 -5.831 1.00 0.00 O ATOM 461 NE2 GLN A 29 14.727 2.528 -3.632 1.00 0.00 N ATOM 0 H GLN A 29 10.938 -0.888 -3.340 1.00 0.00 H new ATOM 0 HA GLN A 29 13.248 -2.097 -4.454 1.00 0.00 H new ATOM 0 HB2 GLN A 29 12.415 0.303 -4.703 1.00 0.00 H new ATOM 0 HB3 GLN A 29 12.997 0.604 -3.078 1.00 0.00 H new ATOM 0 HG2 GLN A 29 15.294 -0.122 -3.836 1.00 0.00 H new ATOM 0 HG3 GLN A 29 14.669 -0.233 -5.470 1.00 0.00 H new ATOM 0 HE21 GLN A 29 14.510 2.110 -2.727 1.00 0.00 H new ATOM 0 HE22 GLN A 29 14.888 3.533 -3.704 1.00 0.00 H new ATOM 470 N TYR A 30 13.364 -1.370 -1.228 1.00 0.00 N ATOM 471 CA TYR A 30 14.087 -1.659 0.007 1.00 0.00 C ATOM 472 C TYR A 30 13.396 -2.747 0.830 1.00 0.00 C ATOM 473 O TYR A 30 13.850 -3.088 1.922 1.00 0.00 O ATOM 474 CB TYR A 30 14.245 -0.388 0.851 1.00 0.00 C ATOM 475 CG TYR A 30 13.028 0.513 0.854 1.00 0.00 C ATOM 476 CD1 TYR A 30 11.750 -0.007 1.019 1.00 0.00 C ATOM 477 CD2 TYR A 30 13.161 1.888 0.701 1.00 0.00 C ATOM 478 CE1 TYR A 30 10.641 0.815 1.029 1.00 0.00 C ATOM 479 CE2 TYR A 30 12.055 2.717 0.708 1.00 0.00 C ATOM 480 CZ TYR A 30 10.798 2.177 0.873 1.00 0.00 C ATOM 481 OH TYR A 30 9.695 2.999 0.883 1.00 0.00 O ATOM 0 H TYR A 30 12.541 -0.780 -1.109 1.00 0.00 H new ATOM 0 HA TYR A 30 15.073 -2.027 -0.276 1.00 0.00 H new ATOM 0 HB2 TYR A 30 14.474 -0.674 1.878 1.00 0.00 H new ATOM 0 HB3 TYR A 30 15.100 0.177 0.479 1.00 0.00 H new ATOM 0 HD1 TYR A 30 11.622 -1.072 1.142 1.00 0.00 H new ATOM 0 HD2 TYR A 30 14.145 2.316 0.575 1.00 0.00 H new ATOM 0 HE1 TYR A 30 9.655 0.394 1.158 1.00 0.00 H new ATOM 0 HE2 TYR A 30 12.175 3.783 0.585 1.00 0.00 H new ATOM 0 HH TYR A 30 9.979 3.929 0.762 1.00 0.00 H new ATOM 491 N PHE A 31 12.303 -3.299 0.306 1.00 0.00 N ATOM 492 CA PHE A 31 11.572 -4.351 1.004 1.00 0.00 C ATOM 493 C PHE A 31 11.648 -5.669 0.240 1.00 0.00 C ATOM 494 O PHE A 31 11.188 -5.766 -0.898 1.00 0.00 O ATOM 495 CB PHE A 31 10.106 -3.951 1.199 1.00 0.00 C ATOM 496 CG PHE A 31 9.898 -2.786 2.131 1.00 0.00 C ATOM 497 CD1 PHE A 31 10.877 -2.411 3.042 1.00 0.00 C ATOM 498 CD2 PHE A 31 8.714 -2.065 2.096 1.00 0.00 C ATOM 499 CE1 PHE A 31 10.678 -1.340 3.894 1.00 0.00 C ATOM 500 CE2 PHE A 31 8.510 -0.994 2.945 1.00 0.00 C ATOM 501 CZ PHE A 31 9.493 -0.632 3.844 1.00 0.00 C ATOM 0 H PHE A 31 11.907 -3.035 -0.596 1.00 0.00 H new ATOM 0 HA PHE A 31 12.037 -4.486 1.980 1.00 0.00 H new ATOM 0 HB2 PHE A 31 9.677 -3.705 0.228 1.00 0.00 H new ATOM 0 HB3 PHE A 31 9.555 -4.810 1.582 1.00 0.00 H new ATOM 0 HD1 PHE A 31 11.805 -2.962 3.086 1.00 0.00 H new ATOM 0 HD2 PHE A 31 7.941 -2.344 1.396 1.00 0.00 H new ATOM 0 HE1 PHE A 31 11.448 -1.058 4.597 1.00 0.00 H new ATOM 0 HE2 PHE A 31 7.583 -0.441 2.905 1.00 0.00 H new ATOM 0 HZ PHE A 31 9.336 0.205 4.508 1.00 0.00 H new ATOM 511 N ASP A 32 12.227 -6.683 0.876 1.00 0.00 N ATOM 512 CA ASP A 32 12.360 -7.998 0.260 1.00 0.00 C ATOM 513 C ASP A 32 11.419 -9.004 0.916 1.00 0.00 C ATOM 514 O ASP A 32 10.969 -9.955 0.278 1.00 0.00 O ATOM 515 CB ASP A 32 13.804 -8.490 0.364 1.00 0.00 C ATOM 516 CG ASP A 32 14.336 -8.432 1.783 1.00 0.00 C ATOM 517 OD1 ASP A 32 13.842 -9.200 2.633 1.00 0.00 O ATOM 518 OD2 ASP A 32 15.247 -7.618 2.042 1.00 0.00 O ATOM 0 H ASP A 32 12.612 -6.619 1.818 1.00 0.00 H new ATOM 0 HA ASP A 32 12.090 -7.907 -0.792 1.00 0.00 H new ATOM 0 HB2 ASP A 32 13.862 -9.515 -0.001 1.00 0.00 H new ATOM 0 HB3 ASP A 32 14.438 -7.885 -0.284 1.00 0.00 H new ATOM 523 N ARG A 33 11.128 -8.786 2.195 1.00 0.00 N ATOM 524 CA ARG A 33 10.243 -9.675 2.941 1.00 0.00 C ATOM 525 C ARG A 33 8.785 -9.438 2.560 1.00 0.00 C ATOM 526 O ARG A 33 8.014 -8.868 3.333 1.00 0.00 O ATOM 527 CB ARG A 33 10.430 -9.471 4.445 1.00 0.00 C ATOM 528 CG ARG A 33 11.886 -9.349 4.869 1.00 0.00 C ATOM 529 CD ARG A 33 12.024 -9.252 6.381 1.00 0.00 C ATOM 530 NE ARG A 33 12.817 -10.350 6.929 1.00 0.00 N ATOM 531 CZ ARG A 33 14.107 -10.538 6.664 1.00 0.00 C ATOM 532 NH1 ARG A 33 14.755 -9.700 5.862 1.00 0.00 N ATOM 533 NH2 ARG A 33 14.754 -11.564 7.201 1.00 0.00 N ATOM 0 H ARG A 33 11.492 -8.002 2.736 1.00 0.00 H new ATOM 0 HA ARG A 33 10.503 -10.702 2.686 1.00 0.00 H new ATOM 0 HB2 ARG A 33 9.895 -8.571 4.750 1.00 0.00 H new ATOM 0 HB3 ARG A 33 9.975 -10.307 4.976 1.00 0.00 H new ATOM 0 HG2 ARG A 33 12.444 -10.212 4.507 1.00 0.00 H new ATOM 0 HG3 ARG A 33 12.328 -8.467 4.406 1.00 0.00 H new ATOM 0 HD2 ARG A 33 12.490 -8.302 6.642 1.00 0.00 H new ATOM 0 HD3 ARG A 33 11.034 -9.257 6.837 1.00 0.00 H new ATOM 0 HE ARG A 33 12.354 -11.012 7.552 1.00 0.00 H new ATOM 0 HH11 ARG A 33 14.263 -8.909 5.447 1.00 0.00 H new ATOM 0 HH12 ARG A 33 15.744 -9.848 5.662 1.00 0.00 H new ATOM 0 HH21 ARG A 33 14.262 -12.210 7.818 1.00 0.00 H new ATOM 0 HH22 ARG A 33 15.743 -11.707 6.997 1.00 0.00 H new ATOM 547 N ILE A 34 8.412 -9.884 1.365 1.00 0.00 N ATOM 548 CA ILE A 34 7.045 -9.722 0.884 1.00 0.00 C ATOM 549 C ILE A 34 6.612 -10.927 0.055 1.00 0.00 C ATOM 550 O ILE A 34 7.183 -11.204 -1.000 1.00 0.00 O ATOM 551 CB ILE A 34 6.895 -8.447 0.032 1.00 0.00 C ATOM 552 CG1 ILE A 34 7.514 -7.250 0.756 1.00 0.00 C ATOM 553 CG2 ILE A 34 5.429 -8.187 -0.279 1.00 0.00 C ATOM 554 CD1 ILE A 34 7.513 -5.979 -0.068 1.00 0.00 C ATOM 0 H ILE A 34 9.036 -10.360 0.713 1.00 0.00 H new ATOM 0 HA ILE A 34 6.407 -9.638 1.764 1.00 0.00 H new ATOM 0 HB ILE A 34 7.424 -8.591 -0.910 1.00 0.00 H new ATOM 0 HG12 ILE A 34 6.967 -7.073 1.682 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.540 -7.494 1.033 1.00 0.00 H new ATOM 0 HG21 ILE A 34 5.340 -7.283 -0.881 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.019 -9.033 -0.831 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.877 -8.059 0.652 1.00 0.00 H new ATOM 0 HD11 ILE A 34 7.966 -5.172 0.507 1.00 0.00 H new ATOM 0 HD12 ILE A 34 8.084 -6.138 -0.983 1.00 0.00 H new ATOM 0 HD13 ILE A 34 6.488 -5.711 -0.323 1.00 0.00 H new ATOM 566 N ASN A 35 5.600 -11.642 0.537 1.00 0.00 N ATOM 567 CA ASN A 35 5.095 -12.818 -0.164 1.00 0.00 C ATOM 568 C ASN A 35 3.645 -12.619 -0.597 1.00 0.00 C ATOM 569 O ASN A 35 3.341 -12.612 -1.790 1.00 0.00 O ATOM 570 CB ASN A 35 5.214 -14.066 0.719 1.00 0.00 C ATOM 571 CG ASN A 35 4.936 -13.781 2.183 1.00 0.00 C ATOM 572 OD1 ASN A 35 3.904 -14.180 2.720 1.00 0.00 O ATOM 573 ND2 ASN A 35 5.861 -13.087 2.836 1.00 0.00 N ATOM 0 H ASN A 35 5.114 -11.428 1.408 1.00 0.00 H new ATOM 0 HA ASN A 35 5.704 -12.960 -1.057 1.00 0.00 H new ATOM 0 HB2 ASN A 35 4.517 -14.825 0.363 1.00 0.00 H new ATOM 0 HB3 ASN A 35 6.217 -14.482 0.619 1.00 0.00 H new ATOM 0 HD21 ASN A 35 5.730 -12.865 3.823 1.00 0.00 H new ATOM 0 HD22 ASN A 35 6.702 -12.776 2.351 1.00 0.00 H new ATOM 580 N GLN A 36 2.750 -12.460 0.376 1.00 0.00 N ATOM 581 CA GLN A 36 1.336 -12.263 0.082 1.00 0.00 C ATOM 582 C GLN A 36 0.801 -11.007 0.758 1.00 0.00 C ATOM 583 O GLN A 36 0.777 -10.911 1.986 1.00 0.00 O ATOM 584 CB GLN A 36 0.525 -13.480 0.535 1.00 0.00 C ATOM 585 CG GLN A 36 -0.791 -13.644 -0.207 1.00 0.00 C ATOM 586 CD GLN A 36 -0.757 -14.777 -1.214 1.00 0.00 C ATOM 587 OE1 GLN A 36 -0.781 -14.548 -2.423 1.00 0.00 O ATOM 588 NE2 GLN A 36 -0.700 -16.007 -0.717 1.00 0.00 N ATOM 0 H GLN A 36 2.979 -12.464 1.370 1.00 0.00 H new ATOM 0 HA GLN A 36 1.234 -12.142 -0.996 1.00 0.00 H new ATOM 0 HB2 GLN A 36 1.126 -14.379 0.396 1.00 0.00 H new ATOM 0 HB3 GLN A 36 0.322 -13.394 1.603 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -1.589 -13.827 0.513 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -1.032 -12.714 -0.721 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -0.682 -16.149 0.293 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -0.674 -16.810 -1.345 1.00 0.00 H new ATOM 597 N VAL A 37 0.367 -10.047 -0.051 1.00 0.00 N ATOM 598 CA VAL A 37 -0.174 -8.795 0.466 1.00 0.00 C ATOM 599 C VAL A 37 -1.572 -8.539 -0.086 1.00 0.00 C ATOM 600 O VAL A 37 -1.809 -8.667 -1.286 1.00 0.00 O ATOM 601 CB VAL A 37 0.730 -7.601 0.105 1.00 0.00 C ATOM 602 CG1 VAL A 37 0.269 -6.346 0.828 1.00 0.00 C ATOM 603 CG2 VAL A 37 2.186 -7.908 0.427 1.00 0.00 C ATOM 0 H VAL A 37 0.379 -10.112 -1.069 1.00 0.00 H new ATOM 0 HA VAL A 37 -0.221 -8.892 1.551 1.00 0.00 H new ATOM 0 HB VAL A 37 0.653 -7.425 -0.968 1.00 0.00 H new ATOM 0 HG11 VAL A 37 0.919 -5.513 0.561 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -0.756 -6.114 0.537 1.00 0.00 H new ATOM 0 HG13 VAL A 37 0.313 -6.510 1.905 1.00 0.00 H new ATOM 0 HG21 VAL A 37 2.805 -7.051 0.164 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.287 -8.115 1.492 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.509 -8.778 -0.144 1.00 0.00 H new ATOM 613 N TYR A 38 -2.496 -8.173 0.796 1.00 0.00 N ATOM 614 CA TYR A 38 -3.870 -7.895 0.391 1.00 0.00 C ATOM 615 C TYR A 38 -4.333 -6.546 0.928 1.00 0.00 C ATOM 616 O TYR A 38 -4.072 -6.199 2.079 1.00 0.00 O ATOM 617 CB TYR A 38 -4.812 -9.006 0.864 1.00 0.00 C ATOM 618 CG TYR A 38 -4.436 -9.611 2.200 1.00 0.00 C ATOM 619 CD1 TYR A 38 -3.308 -10.413 2.328 1.00 0.00 C ATOM 620 CD2 TYR A 38 -5.210 -9.380 3.330 1.00 0.00 C ATOM 621 CE1 TYR A 38 -2.965 -10.969 3.545 1.00 0.00 C ATOM 622 CE2 TYR A 38 -4.872 -9.933 4.551 1.00 0.00 C ATOM 623 CZ TYR A 38 -3.749 -10.726 4.652 1.00 0.00 C ATOM 624 OH TYR A 38 -3.409 -11.278 5.866 1.00 0.00 O ATOM 0 H TYR A 38 -2.319 -8.062 1.794 1.00 0.00 H new ATOM 0 HA TYR A 38 -3.896 -7.859 -0.698 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -5.823 -8.605 0.931 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -4.831 -9.795 0.113 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -2.690 -10.604 1.463 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -6.090 -8.758 3.253 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -2.086 -11.591 3.629 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -5.484 -9.745 5.421 1.00 0.00 H new ATOM 0 HH TYR A 38 -2.543 -11.730 5.789 1.00 0.00 H new ATOM 634 N VAL A 39 -5.020 -5.786 0.081 1.00 0.00 N ATOM 635 CA VAL A 39 -5.518 -4.470 0.462 1.00 0.00 C ATOM 636 C VAL A 39 -6.993 -4.313 0.102 1.00 0.00 C ATOM 637 O VAL A 39 -7.453 -4.833 -0.913 1.00 0.00 O ATOM 638 CB VAL A 39 -4.712 -3.348 -0.221 1.00 0.00 C ATOM 639 CG1 VAL A 39 -5.117 -1.987 0.322 1.00 0.00 C ATOM 640 CG2 VAL A 39 -3.219 -3.578 -0.041 1.00 0.00 C ATOM 0 H VAL A 39 -5.245 -6.060 -0.875 1.00 0.00 H new ATOM 0 HA VAL A 39 -5.401 -4.387 1.543 1.00 0.00 H new ATOM 0 HB VAL A 39 -4.935 -3.367 -1.288 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -4.536 -1.210 -0.174 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -6.178 -1.822 0.135 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -4.928 -1.952 1.395 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.666 -2.776 -0.530 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.978 -3.589 1.022 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.942 -4.534 -0.486 1.00 0.00 H new ATOM 650 N VAL A 40 -7.724 -3.587 0.941 1.00 0.00 N ATOM 651 CA VAL A 40 -9.146 -3.355 0.713 1.00 0.00 C ATOM 652 C VAL A 40 -9.537 -1.943 1.112 1.00 0.00 C ATOM 653 O VAL A 40 -9.100 -1.431 2.141 1.00 0.00 O ATOM 654 CB VAL A 40 -10.016 -4.359 1.489 1.00 0.00 C ATOM 655 CG1 VAL A 40 -11.477 -4.230 1.082 1.00 0.00 C ATOM 656 CG2 VAL A 40 -9.519 -5.779 1.271 1.00 0.00 C ATOM 0 H VAL A 40 -7.355 -3.149 1.785 1.00 0.00 H new ATOM 0 HA VAL A 40 -9.321 -3.492 -0.354 1.00 0.00 H new ATOM 0 HB VAL A 40 -9.938 -4.130 2.552 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -12.076 -4.949 1.642 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -11.827 -3.220 1.297 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -11.576 -4.429 0.015 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -10.147 -6.474 1.828 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -9.563 -6.021 0.209 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -8.489 -5.862 1.619 1.00 0.00 H new ATOM 666 N LEU A 41 -10.349 -1.315 0.275 1.00 0.00 N ATOM 667 CA LEU A 41 -10.791 0.049 0.516 1.00 0.00 C ATOM 668 C LEU A 41 -12.303 0.192 0.355 1.00 0.00 C ATOM 669 O LEU A 41 -12.878 -0.235 -0.645 1.00 0.00 O ATOM 670 CB LEU A 41 -10.057 1.010 -0.426 1.00 0.00 C ATOM 671 CG LEU A 41 -9.708 0.445 -1.808 1.00 0.00 C ATOM 672 CD1 LEU A 41 -8.677 -0.669 -1.696 1.00 0.00 C ATOM 673 CD2 LEU A 41 -10.957 -0.045 -2.525 1.00 0.00 C ATOM 0 H LEU A 41 -10.716 -1.731 -0.581 1.00 0.00 H new ATOM 0 HA LEU A 41 -10.550 0.303 1.548 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -10.673 1.899 -0.562 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -9.135 1.332 0.058 1.00 0.00 H new ATOM 0 HG LEU A 41 -9.272 1.250 -2.399 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.447 -1.053 -2.690 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.768 -0.279 -1.238 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -9.077 -1.474 -1.080 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -10.683 -0.441 -3.503 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -11.431 -0.830 -1.935 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -11.653 0.784 -2.651 1.00 0.00 H new ATOM 685 N LYS A 42 -12.934 0.803 1.351 1.00 0.00 N ATOM 686 CA LYS A 42 -14.375 1.018 1.330 1.00 0.00 C ATOM 687 C LYS A 42 -14.691 2.458 0.939 1.00 0.00 C ATOM 688 O LYS A 42 -14.082 3.399 1.451 1.00 0.00 O ATOM 689 CB LYS A 42 -14.983 0.692 2.699 1.00 0.00 C ATOM 690 CG LYS A 42 -16.447 1.082 2.831 1.00 0.00 C ATOM 691 CD LYS A 42 -16.991 0.750 4.212 1.00 0.00 C ATOM 692 CE LYS A 42 -16.219 1.468 5.305 1.00 0.00 C ATOM 693 NZ LYS A 42 -16.807 1.227 6.652 1.00 0.00 N ATOM 0 H LYS A 42 -12.468 1.159 2.186 1.00 0.00 H new ATOM 0 HA LYS A 42 -14.814 0.352 0.587 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -14.884 -0.378 2.884 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -14.410 1.204 3.472 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -16.558 2.150 2.642 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -17.033 0.561 2.073 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -18.043 1.029 4.266 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -16.938 -0.326 4.375 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -15.182 1.133 5.297 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -16.210 2.538 5.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -16.251 1.734 7.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -17.789 1.570 6.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -16.793 0.208 6.860 1.00 0.00 H new ATOM 707 N VAL A 43 -15.643 2.622 0.028 1.00 0.00 N ATOM 708 CA VAL A 43 -16.037 3.946 -0.435 1.00 0.00 C ATOM 709 C VAL A 43 -17.473 4.261 -0.037 1.00 0.00 C ATOM 710 O VAL A 43 -18.411 3.598 -0.481 1.00 0.00 O ATOM 711 CB VAL A 43 -15.900 4.071 -1.964 1.00 0.00 C ATOM 712 CG1 VAL A 43 -16.123 5.509 -2.405 1.00 0.00 C ATOM 713 CG2 VAL A 43 -14.538 3.570 -2.420 1.00 0.00 C ATOM 0 H VAL A 43 -16.156 1.854 -0.405 1.00 0.00 H new ATOM 0 HA VAL A 43 -15.365 4.661 0.041 1.00 0.00 H new ATOM 0 HB VAL A 43 -16.665 3.451 -2.431 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -16.022 5.577 -3.488 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -17.123 5.828 -2.113 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -15.383 6.154 -1.930 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -14.459 3.666 -3.503 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -13.755 4.161 -1.945 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -14.423 2.523 -2.139 1.00 0.00 H new ATOM 723 N GLU A 44 -17.639 5.278 0.799 1.00 0.00 N ATOM 724 CA GLU A 44 -18.960 5.687 1.254 1.00 0.00 C ATOM 725 C GLU A 44 -19.090 7.205 1.225 1.00 0.00 C ATOM 726 O GLU A 44 -18.100 7.926 1.342 1.00 0.00 O ATOM 727 CB GLU A 44 -19.228 5.162 2.666 1.00 0.00 C ATOM 728 CG GLU A 44 -18.066 5.368 3.623 1.00 0.00 C ATOM 729 CD GLU A 44 -18.408 4.975 5.046 1.00 0.00 C ATOM 730 OE1 GLU A 44 -19.438 5.454 5.565 1.00 0.00 O ATOM 731 OE2 GLU A 44 -17.643 4.188 5.645 1.00 0.00 O ATOM 0 H GLU A 44 -16.873 5.836 1.176 1.00 0.00 H new ATOM 0 HA GLU A 44 -19.701 5.261 0.577 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -20.111 5.659 3.068 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -19.458 4.098 2.611 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -17.212 4.782 3.283 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -17.763 6.415 3.602 1.00 0.00 H new ATOM 738 N LYS A 45 -20.317 7.685 1.061 1.00 0.00 N ATOM 739 CA LYS A 45 -20.584 9.119 1.007 1.00 0.00 C ATOM 740 C LYS A 45 -19.994 9.855 2.210 1.00 0.00 C ATOM 741 O LYS A 45 -19.802 11.070 2.165 1.00 0.00 O ATOM 742 CB LYS A 45 -22.091 9.371 0.935 1.00 0.00 C ATOM 743 CG LYS A 45 -22.455 10.714 0.323 1.00 0.00 C ATOM 744 CD LYS A 45 -22.750 11.752 1.393 1.00 0.00 C ATOM 745 CE LYS A 45 -22.931 13.137 0.793 1.00 0.00 C ATOM 746 NZ LYS A 45 -22.338 14.197 1.655 1.00 0.00 N ATOM 0 H LYS A 45 -21.147 7.100 0.963 1.00 0.00 H new ATOM 0 HA LYS A 45 -20.103 9.508 0.109 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -22.556 8.577 0.351 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -22.509 9.314 1.940 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -21.636 11.062 -0.307 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -23.326 10.597 -0.322 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -23.652 11.469 1.936 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -21.935 11.772 2.116 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -22.467 13.169 -0.193 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -23.993 13.336 0.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -22.482 15.126 1.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -22.798 14.184 2.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -21.319 14.022 1.769 1.00 0.00 H new ATOM 760 N VAL A 46 -19.714 9.124 3.288 1.00 0.00 N ATOM 761 CA VAL A 46 -19.158 9.732 4.492 1.00 0.00 C ATOM 762 C VAL A 46 -17.629 9.821 4.429 1.00 0.00 C ATOM 763 O VAL A 46 -17.079 10.849 4.033 1.00 0.00 O ATOM 764 CB VAL A 46 -19.586 8.960 5.757 1.00 0.00 C ATOM 765 CG1 VAL A 46 -19.001 9.600 7.007 1.00 0.00 C ATOM 766 CG2 VAL A 46 -21.103 8.889 5.847 1.00 0.00 C ATOM 0 H VAL A 46 -19.862 8.117 3.351 1.00 0.00 H new ATOM 0 HA VAL A 46 -19.557 10.745 4.547 1.00 0.00 H new ATOM 0 HB VAL A 46 -19.197 7.944 5.686 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -19.317 9.038 7.886 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -17.913 9.593 6.944 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -19.353 10.628 7.088 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -21.389 8.341 6.745 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -21.512 9.898 5.892 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -21.496 8.377 4.969 1.00 0.00 H new ATOM 776 N THR A 47 -16.946 8.749 4.831 1.00 0.00 N ATOM 777 CA THR A 47 -15.485 8.730 4.823 1.00 0.00 C ATOM 778 C THR A 47 -14.946 7.495 4.105 1.00 0.00 C ATOM 779 O THR A 47 -15.614 6.465 4.033 1.00 0.00 O ATOM 780 CB THR A 47 -14.948 8.772 6.254 1.00 0.00 C ATOM 781 OG1 THR A 47 -15.628 9.755 7.016 1.00 0.00 O ATOM 782 CG2 THR A 47 -13.468 9.076 6.330 1.00 0.00 C ATOM 0 H THR A 47 -17.379 7.888 5.164 1.00 0.00 H new ATOM 0 HA THR A 47 -15.145 9.613 4.282 1.00 0.00 H new ATOM 0 HB THR A 47 -15.118 7.773 6.655 1.00 0.00 H new ATOM 0 HG1 THR A 47 -15.272 9.766 7.929 1.00 0.00 H new ATOM 0 HG21 THR A 47 -13.153 9.091 7.373 1.00 0.00 H new ATOM 0 HG22 THR A 47 -12.911 8.308 5.793 1.00 0.00 H new ATOM 0 HG23 THR A 47 -13.273 10.048 5.878 1.00 0.00 H new ATOM 790 N HIS A 48 -13.727 7.607 3.583 1.00 0.00 N ATOM 791 CA HIS A 48 -13.092 6.498 2.879 1.00 0.00 C ATOM 792 C HIS A 48 -12.120 5.767 3.800 1.00 0.00 C ATOM 793 O HIS A 48 -11.345 6.394 4.523 1.00 0.00 O ATOM 794 CB HIS A 48 -12.354 7.007 1.640 1.00 0.00 C ATOM 795 CG HIS A 48 -13.243 7.714 0.664 1.00 0.00 C ATOM 796 ND1 HIS A 48 -13.171 7.521 -0.699 1.00 0.00 N ATOM 797 CD2 HIS A 48 -14.232 8.621 0.860 1.00 0.00 C ATOM 798 CE1 HIS A 48 -14.073 8.276 -1.299 1.00 0.00 C ATOM 799 NE2 HIS A 48 -14.729 8.952 -0.375 1.00 0.00 N ATOM 0 H HIS A 48 -13.161 8.454 3.635 1.00 0.00 H new ATOM 0 HA HIS A 48 -13.869 5.801 2.566 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -11.560 7.685 1.953 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -11.876 6.165 1.140 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -14.566 9.010 1.811 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -14.244 8.331 -2.364 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -15.484 9.614 -0.551 1.00 0.00 H new ATOM 808 N THR A 49 -12.170 4.437 3.779 1.00 0.00 N ATOM 809 CA THR A 49 -11.296 3.629 4.623 1.00 0.00 C ATOM 810 C THR A 49 -10.581 2.550 3.815 1.00 0.00 C ATOM 811 O THR A 49 -11.152 1.969 2.894 1.00 0.00 O ATOM 812 CB THR A 49 -12.102 2.982 5.751 1.00 0.00 C ATOM 813 OG1 THR A 49 -12.785 3.965 6.508 1.00 0.00 O ATOM 814 CG2 THR A 49 -11.252 2.174 6.708 1.00 0.00 C ATOM 0 H THR A 49 -12.804 3.899 3.189 1.00 0.00 H new ATOM 0 HA THR A 49 -10.541 4.291 5.049 1.00 0.00 H new ATOM 0 HB THR A 49 -12.802 2.309 5.255 1.00 0.00 H new ATOM 0 HG1 THR A 49 -13.296 3.531 7.223 1.00 0.00 H new ATOM 0 HG21 THR A 49 -11.886 1.743 7.483 1.00 0.00 H new ATOM 0 HG22 THR A 49 -10.751 1.374 6.163 1.00 0.00 H new ATOM 0 HG23 THR A 49 -10.506 2.822 7.168 1.00 0.00 H new ATOM 822 N SER A 50 -9.327 2.289 4.168 1.00 0.00 N ATOM 823 CA SER A 50 -8.536 1.277 3.475 1.00 0.00 C ATOM 824 C SER A 50 -7.664 0.492 4.453 1.00 0.00 C ATOM 825 O SER A 50 -7.191 1.033 5.452 1.00 0.00 O ATOM 826 CB SER A 50 -7.664 1.922 2.396 1.00 0.00 C ATOM 827 OG SER A 50 -8.428 2.788 1.576 1.00 0.00 O ATOM 0 H SER A 50 -8.837 2.762 4.927 1.00 0.00 H new ATOM 0 HA SER A 50 -9.229 0.582 3.001 1.00 0.00 H new ATOM 0 HB2 SER A 50 -6.853 2.480 2.864 1.00 0.00 H new ATOM 0 HB3 SER A 50 -7.205 1.146 1.783 1.00 0.00 H new ATOM 0 HG SER A 50 -7.950 2.950 0.736 1.00 0.00 H new ATOM 833 N ASP A 51 -7.458 -0.787 4.152 1.00 0.00 N ATOM 834 CA ASP A 51 -6.645 -1.655 4.997 1.00 0.00 C ATOM 835 C ASP A 51 -5.577 -2.365 4.171 1.00 0.00 C ATOM 836 O ASP A 51 -5.818 -2.741 3.024 1.00 0.00 O ATOM 837 CB ASP A 51 -7.534 -2.682 5.709 1.00 0.00 C ATOM 838 CG ASP A 51 -8.107 -3.719 4.762 1.00 0.00 C ATOM 839 OD1 ASP A 51 -7.316 -4.456 4.135 1.00 0.00 O ATOM 840 OD2 ASP A 51 -9.348 -3.797 4.650 1.00 0.00 O ATOM 0 H ASP A 51 -7.844 -1.246 3.327 1.00 0.00 H new ATOM 0 HA ASP A 51 -6.147 -1.039 5.746 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -6.953 -3.184 6.483 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -8.351 -2.163 6.210 1.00 0.00 H new ATOM 845 N ALA A 52 -4.396 -2.548 4.754 1.00 0.00 N ATOM 846 CA ALA A 52 -3.303 -3.214 4.055 1.00 0.00 C ATOM 847 C ALA A 52 -2.543 -4.169 4.973 1.00 0.00 C ATOM 848 O ALA A 52 -1.835 -3.742 5.885 1.00 0.00 O ATOM 849 CB ALA A 52 -2.351 -2.187 3.463 1.00 0.00 C ATOM 0 H ALA A 52 -4.173 -2.247 5.702 1.00 0.00 H new ATOM 0 HA ALA A 52 -3.739 -3.805 3.250 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -1.540 -2.699 2.944 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.891 -1.555 2.758 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.939 -1.570 4.262 1.00 0.00 H new ATOM 855 N THR A 53 -2.696 -5.463 4.714 1.00 0.00 N ATOM 856 CA THR A 53 -2.024 -6.489 5.504 1.00 0.00 C ATOM 857 C THR A 53 -0.821 -7.044 4.748 1.00 0.00 C ATOM 858 O THR A 53 -0.975 -7.728 3.737 1.00 0.00 O ATOM 859 CB THR A 53 -2.994 -7.621 5.843 1.00 0.00 C ATOM 860 OG1 THR A 53 -4.263 -7.105 6.201 1.00 0.00 O ATOM 861 CG2 THR A 53 -2.517 -8.495 6.983 1.00 0.00 C ATOM 0 H THR A 53 -3.281 -5.827 3.962 1.00 0.00 H new ATOM 0 HA THR A 53 -1.676 -6.033 6.431 1.00 0.00 H new ATOM 0 HB THR A 53 -3.055 -8.228 4.940 1.00 0.00 H new ATOM 0 HG1 THR A 53 -4.146 -6.307 6.758 1.00 0.00 H new ATOM 0 HG21 THR A 53 -3.251 -9.278 7.173 1.00 0.00 H new ATOM 0 HG22 THR A 53 -1.562 -8.949 6.718 1.00 0.00 H new ATOM 0 HG23 THR A 53 -2.394 -7.888 7.880 1.00 0.00 H new ATOM 869 N LEU A 54 0.377 -6.741 5.239 1.00 0.00 N ATOM 870 CA LEU A 54 1.603 -7.205 4.601 1.00 0.00 C ATOM 871 C LEU A 54 2.132 -8.466 5.275 1.00 0.00 C ATOM 872 O LEU A 54 2.004 -8.637 6.488 1.00 0.00 O ATOM 873 CB LEU A 54 2.668 -6.107 4.639 1.00 0.00 C ATOM 874 CG LEU A 54 2.594 -5.093 3.498 1.00 0.00 C ATOM 875 CD1 LEU A 54 1.314 -4.276 3.592 1.00 0.00 C ATOM 876 CD2 LEU A 54 3.812 -4.182 3.517 1.00 0.00 C ATOM 0 H LEU A 54 0.524 -6.177 6.076 1.00 0.00 H new ATOM 0 HA LEU A 54 1.371 -7.444 3.563 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.583 -5.573 5.585 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.652 -6.576 4.625 1.00 0.00 H new ATOM 0 HG LEU A 54 2.585 -5.637 2.553 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.279 -3.559 2.771 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.453 -4.941 3.530 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.292 -3.742 4.542 1.00 0.00 H new ATOM 0 HD21 LEU A 54 3.744 -3.466 2.698 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.851 -3.646 4.465 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.716 -4.780 3.401 1.00 0.00 H new ATOM 888 N HIS A 55 2.732 -9.344 4.479 1.00 0.00 N ATOM 889 CA HIS A 55 3.288 -10.591 4.990 1.00 0.00 C ATOM 890 C HIS A 55 4.813 -10.551 4.980 1.00 0.00 C ATOM 891 O HIS A 55 5.424 -10.077 4.023 1.00 0.00 O ATOM 892 CB HIS A 55 2.795 -11.775 4.157 1.00 0.00 C ATOM 893 CG HIS A 55 1.463 -12.302 4.593 1.00 0.00 C ATOM 894 ND1 HIS A 55 1.272 -13.598 5.024 1.00 0.00 N ATOM 895 CD2 HIS A 55 0.251 -11.702 4.662 1.00 0.00 C ATOM 896 CE1 HIS A 55 0.000 -13.772 5.340 1.00 0.00 C ATOM 897 NE2 HIS A 55 -0.640 -12.637 5.129 1.00 0.00 N ATOM 0 H HIS A 55 2.846 -9.214 3.474 1.00 0.00 H new ATOM 0 HA HIS A 55 2.950 -10.714 6.019 1.00 0.00 H new ATOM 0 HB2 HIS A 55 2.732 -11.472 3.112 1.00 0.00 H new ATOM 0 HB3 HIS A 55 3.530 -12.578 4.212 1.00 0.00 H new ATOM 0 HD1 HIS A 55 1.999 -14.311 5.089 1.00 0.00 H new ATOM 0 HD2 HIS A 55 0.027 -10.679 4.399 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -0.440 -14.687 5.708 1.00 0.00 H new ATOM 906 N VAL A 56 5.422 -11.057 6.049 1.00 0.00 N ATOM 907 CA VAL A 56 6.876 -11.083 6.158 1.00 0.00 C ATOM 908 C VAL A 56 7.385 -12.513 6.306 1.00 0.00 C ATOM 909 O VAL A 56 6.602 -13.444 6.489 1.00 0.00 O ATOM 910 CB VAL A 56 7.376 -10.236 7.345 1.00 0.00 C ATOM 911 CG1 VAL A 56 7.033 -8.771 7.136 1.00 0.00 C ATOM 912 CG2 VAL A 56 6.794 -10.744 8.654 1.00 0.00 C ATOM 0 H VAL A 56 4.931 -11.454 6.850 1.00 0.00 H new ATOM 0 HA VAL A 56 7.270 -10.653 5.237 1.00 0.00 H new ATOM 0 HB VAL A 56 8.461 -10.330 7.399 1.00 0.00 H new ATOM 0 HG11 VAL A 56 7.394 -8.188 7.984 1.00 0.00 H new ATOM 0 HG12 VAL A 56 7.507 -8.413 6.222 1.00 0.00 H new ATOM 0 HG13 VAL A 56 5.952 -8.659 7.052 1.00 0.00 H new ATOM 0 HG21 VAL A 56 7.161 -10.131 9.477 1.00 0.00 H new ATOM 0 HG22 VAL A 56 5.706 -10.686 8.615 1.00 0.00 H new ATOM 0 HG23 VAL A 56 7.097 -11.779 8.809 1.00 0.00 H new ATOM 922 N ASN A 57 8.705 -12.678 6.208 1.00 0.00 N ATOM 923 CA ASN A 57 9.350 -13.991 6.313 1.00 0.00 C ATOM 924 C ASN A 57 8.608 -14.931 7.263 1.00 0.00 C ATOM 925 O ASN A 57 8.253 -16.048 6.886 1.00 0.00 O ATOM 926 CB ASN A 57 10.798 -13.827 6.777 1.00 0.00 C ATOM 927 CG ASN A 57 11.746 -13.552 5.626 1.00 0.00 C ATOM 928 OD1 ASN A 57 12.497 -12.578 5.644 1.00 0.00 O ATOM 929 ND2 ASN A 57 11.713 -14.411 4.614 1.00 0.00 N ATOM 0 H ASN A 57 9.357 -11.909 6.054 1.00 0.00 H new ATOM 0 HA ASN A 57 9.325 -14.442 5.321 1.00 0.00 H new ATOM 0 HB2 ASN A 57 10.856 -13.009 7.495 1.00 0.00 H new ATOM 0 HB3 ASN A 57 11.115 -14.731 7.297 1.00 0.00 H new ATOM 0 HD21 ASN A 57 12.326 -14.276 3.810 1.00 0.00 H new ATOM 0 HD22 ASN A 57 11.074 -15.206 4.640 1.00 0.00 H new ATOM 936 N GLY A 58 8.381 -14.483 8.493 1.00 0.00 N ATOM 937 CA GLY A 58 7.689 -15.315 9.463 1.00 0.00 C ATOM 938 C GLY A 58 6.735 -14.530 10.343 1.00 0.00 C ATOM 939 O GLY A 58 6.655 -14.771 11.548 1.00 0.00 O ATOM 0 H GLY A 58 8.662 -13.564 8.835 1.00 0.00 H new ATOM 0 HA2 GLY A 58 7.134 -16.092 8.937 1.00 0.00 H new ATOM 0 HA3 GLY A 58 8.424 -15.818 10.092 1.00 0.00 H new ATOM 943 N GLY A 59 6.006 -13.594 9.744 1.00 0.00 N ATOM 944 CA GLY A 59 5.063 -12.793 10.503 1.00 0.00 C ATOM 945 C GLY A 59 3.996 -12.172 9.624 1.00 0.00 C ATOM 946 O GLY A 59 4.101 -12.196 8.397 1.00 0.00 O ATOM 0 H GLY A 59 6.051 -13.376 8.749 1.00 0.00 H new ATOM 0 HA2 GLY A 59 4.588 -13.416 11.261 1.00 0.00 H new ATOM 0 HA3 GLY A 59 5.601 -12.005 11.029 1.00 0.00 H new ATOM 950 N GLU A 60 2.960 -11.621 10.248 1.00 0.00 N ATOM 951 CA GLU A 60 1.871 -10.997 9.507 1.00 0.00 C ATOM 952 C GLU A 60 1.456 -9.672 10.138 1.00 0.00 C ATOM 953 O GLU A 60 0.973 -9.633 11.269 1.00 0.00 O ATOM 954 CB GLU A 60 0.668 -11.941 9.444 1.00 0.00 C ATOM 955 CG GLU A 60 0.934 -13.212 8.655 1.00 0.00 C ATOM 956 CD GLU A 60 0.134 -14.394 9.169 1.00 0.00 C ATOM 957 OE1 GLU A 60 -0.053 -14.493 10.399 1.00 0.00 O ATOM 958 OE2 GLU A 60 -0.301 -15.221 8.340 1.00 0.00 O ATOM 0 H GLU A 60 2.852 -11.594 11.262 1.00 0.00 H new ATOM 0 HA GLU A 60 2.228 -10.795 8.497 1.00 0.00 H new ATOM 0 HB2 GLU A 60 0.373 -12.208 10.459 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -0.174 -11.414 8.995 1.00 0.00 H new ATOM 0 HG2 GLU A 60 0.691 -13.042 7.606 1.00 0.00 H new ATOM 0 HG3 GLU A 60 1.997 -13.449 8.702 1.00 0.00 H new ATOM 965 N ILE A 61 1.640 -8.588 9.390 1.00 0.00 N ATOM 966 CA ILE A 61 1.278 -7.257 9.864 1.00 0.00 C ATOM 967 C ILE A 61 -0.017 -6.793 9.208 1.00 0.00 C ATOM 968 O ILE A 61 -0.223 -7.003 8.010 1.00 0.00 O ATOM 969 CB ILE A 61 2.389 -6.229 9.571 1.00 0.00 C ATOM 970 CG1 ILE A 61 3.741 -6.748 10.069 1.00 0.00 C ATOM 971 CG2 ILE A 61 2.060 -4.892 10.217 1.00 0.00 C ATOM 972 CD1 ILE A 61 4.898 -6.379 9.166 1.00 0.00 C ATOM 0 H ILE A 61 2.039 -8.606 8.451 1.00 0.00 H new ATOM 0 HA ILE A 61 1.142 -7.324 10.943 1.00 0.00 H new ATOM 0 HB ILE A 61 2.451 -6.084 8.493 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.928 -6.352 11.067 1.00 0.00 H new ATOM 0 HG13 ILE A 61 3.693 -7.833 10.161 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.855 -4.178 10.000 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.117 -4.518 9.819 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.972 -5.021 11.296 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.824 -6.779 9.579 1.00 0.00 H new ATOM 0 HD12 ILE A 61 4.733 -6.798 8.173 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.972 -5.294 9.094 1.00 0.00 H new ATOM 984 N HIS A 62 -0.887 -6.155 9.986 1.00 0.00 N ATOM 985 CA HIS A 62 -2.154 -5.662 9.463 1.00 0.00 C ATOM 986 C HIS A 62 -2.418 -4.232 9.928 1.00 0.00 C ATOM 987 O HIS A 62 -2.652 -3.991 11.113 1.00 0.00 O ATOM 988 CB HIS A 62 -3.301 -6.573 9.907 1.00 0.00 C ATOM 989 CG HIS A 62 -4.604 -6.265 9.237 1.00 0.00 C ATOM 990 ND1 HIS A 62 -4.916 -5.362 8.278 1.00 0.00 N flip ATOM 991 CD2 HIS A 62 -5.779 -6.925 9.535 1.00 0.00 C flip ATOM 992 CE1 HIS A 62 -6.258 -5.491 8.018 1.00 0.00 C flip ATOM 993 NE2 HIS A 62 -6.755 -6.440 8.789 1.00 0.00 N flip ATOM 0 H HIS A 62 -0.737 -5.969 10.978 1.00 0.00 H new ATOM 0 HA HIS A 62 -2.094 -5.665 8.375 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -3.032 -7.609 9.701 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -3.427 -6.485 10.986 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -5.884 -7.715 10.264 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -6.816 -4.910 7.299 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -7.728 -6.747 8.806 1.00 0.00 H new ATOM 1002 N ALA A 63 -2.387 -3.289 8.993 1.00 0.00 N ATOM 1003 CA ALA A 63 -2.633 -1.889 9.318 1.00 0.00 C ATOM 1004 C ALA A 63 -3.698 -1.300 8.402 1.00 0.00 C ATOM 1005 O ALA A 63 -3.931 -1.803 7.303 1.00 0.00 O ATOM 1006 CB ALA A 63 -1.343 -1.090 9.218 1.00 0.00 C ATOM 0 H ALA A 63 -2.195 -3.467 8.007 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.999 -1.834 10.343 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -1.541 -0.047 9.463 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -0.610 -1.494 9.916 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -0.952 -1.156 8.203 1.00 0.00 H new ATOM 1012 N SER A 64 -4.341 -0.227 8.854 1.00 0.00 N ATOM 1013 CA SER A 64 -5.378 0.432 8.068 1.00 0.00 C ATOM 1014 C SER A 64 -5.275 1.945 8.222 1.00 0.00 C ATOM 1015 O SER A 64 -4.858 2.440 9.269 1.00 0.00 O ATOM 1016 CB SER A 64 -6.763 -0.047 8.502 1.00 0.00 C ATOM 1017 OG SER A 64 -7.008 -1.371 8.060 1.00 0.00 O ATOM 0 H SER A 64 -4.162 0.204 9.761 1.00 0.00 H new ATOM 0 HA SER A 64 -5.233 0.174 7.019 1.00 0.00 H new ATOM 0 HB2 SER A 64 -6.842 -0.003 9.588 1.00 0.00 H new ATOM 0 HB3 SER A 64 -7.525 0.621 8.099 1.00 0.00 H new ATOM 0 HG SER A 64 -7.900 -1.654 8.352 1.00 0.00 H new ATOM 1023 N ALA A 65 -5.650 2.679 7.180 1.00 0.00 N ATOM 1024 CA ALA A 65 -5.587 4.134 7.223 1.00 0.00 C ATOM 1025 C ALA A 65 -6.739 4.775 6.459 1.00 0.00 C ATOM 1026 O ALA A 65 -7.323 4.168 5.560 1.00 0.00 O ATOM 1027 CB ALA A 65 -4.255 4.618 6.670 1.00 0.00 C ATOM 0 H ALA A 65 -5.998 2.294 6.302 1.00 0.00 H new ATOM 0 HA ALA A 65 -5.676 4.437 8.266 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -4.220 5.707 6.707 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.442 4.208 7.269 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -4.148 4.287 5.637 1.00 0.00 H new ATOM 1033 N GLU A 66 -7.050 6.014 6.824 1.00 0.00 N ATOM 1034 CA GLU A 66 -8.122 6.765 6.183 1.00 0.00 C ATOM 1035 C GLU A 66 -7.677 8.201 5.933 1.00 0.00 C ATOM 1036 O GLU A 66 -6.728 8.681 6.558 1.00 0.00 O ATOM 1037 CB GLU A 66 -9.381 6.749 7.052 1.00 0.00 C ATOM 1038 CG GLU A 66 -9.175 7.352 8.431 1.00 0.00 C ATOM 1039 CD GLU A 66 -9.312 6.330 9.543 1.00 0.00 C ATOM 1040 OE1 GLU A 66 -10.080 5.360 9.368 1.00 0.00 O ATOM 1041 OE2 GLU A 66 -8.651 6.497 10.590 1.00 0.00 O ATOM 0 H GLU A 66 -6.570 6.522 7.567 1.00 0.00 H new ATOM 0 HA GLU A 66 -8.354 6.294 5.228 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.173 7.296 6.540 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.724 5.720 7.162 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -8.185 7.806 8.480 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -9.900 8.151 8.586 1.00 0.00 H new ATOM 1048 N GLY A 67 -8.353 8.886 5.018 1.00 0.00 N ATOM 1049 CA GLY A 67 -7.986 10.257 4.713 1.00 0.00 C ATOM 1050 C GLY A 67 -9.165 11.111 4.290 1.00 0.00 C ATOM 1051 O GLY A 67 -9.561 12.029 5.005 1.00 0.00 O ATOM 0 H GLY A 67 -9.143 8.521 4.485 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -7.518 10.704 5.590 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -7.241 10.258 3.918 1.00 0.00 H new ATOM 1055 N GLN A 68 -9.722 10.811 3.121 1.00 0.00 N ATOM 1056 CA GLN A 68 -10.859 11.565 2.596 1.00 0.00 C ATOM 1057 C GLN A 68 -11.310 11.030 1.237 1.00 0.00 C ATOM 1058 O GLN A 68 -12.462 11.217 0.844 1.00 0.00 O ATOM 1059 CB GLN A 68 -10.498 13.048 2.466 1.00 0.00 C ATOM 1060 CG GLN A 68 -11.703 13.973 2.521 1.00 0.00 C ATOM 1061 CD GLN A 68 -12.461 13.866 3.829 1.00 0.00 C ATOM 1062 OE1 GLN A 68 -12.050 13.146 4.740 1.00 0.00 O ATOM 1063 NE2 GLN A 68 -13.576 14.580 3.926 1.00 0.00 N ATOM 0 H GLN A 68 -9.406 10.051 2.518 1.00 0.00 H new ATOM 0 HA GLN A 68 -11.682 11.448 3.301 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -9.807 13.317 3.265 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -9.973 13.205 1.524 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -11.373 15.002 2.380 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -12.375 13.738 1.696 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -13.878 15.163 3.145 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -14.131 14.546 4.781 1.00 0.00 H new ATOM 1072 N ASP A 69 -10.407 10.359 0.522 1.00 0.00 N ATOM 1073 CA ASP A 69 -10.728 9.801 -0.785 1.00 0.00 C ATOM 1074 C ASP A 69 -10.077 8.431 -0.953 1.00 0.00 C ATOM 1075 O ASP A 69 -9.348 7.969 -0.077 1.00 0.00 O ATOM 1076 CB ASP A 69 -10.262 10.743 -1.899 1.00 0.00 C ATOM 1077 CG ASP A 69 -8.849 11.242 -1.681 1.00 0.00 C ATOM 1078 OD1 ASP A 69 -7.903 10.569 -2.141 1.00 0.00 O ATOM 1079 OD2 ASP A 69 -8.685 12.308 -1.049 1.00 0.00 O ATOM 0 H ASP A 69 -9.449 10.190 0.828 1.00 0.00 H new ATOM 0 HA ASP A 69 -11.810 9.687 -0.853 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -10.317 10.224 -2.856 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -10.940 11.595 -1.958 1.00 0.00 H new ATOM 1084 N MET A 70 -10.349 7.782 -2.080 1.00 0.00 N ATOM 1085 CA MET A 70 -9.792 6.462 -2.355 1.00 0.00 C ATOM 1086 C MET A 70 -8.266 6.506 -2.437 1.00 0.00 C ATOM 1087 O MET A 70 -7.600 5.489 -2.239 1.00 0.00 O ATOM 1088 CB MET A 70 -10.364 5.905 -3.660 1.00 0.00 C ATOM 1089 CG MET A 70 -10.060 4.433 -3.879 1.00 0.00 C ATOM 1090 SD MET A 70 -11.373 3.355 -3.279 1.00 0.00 S ATOM 1091 CE MET A 70 -12.247 3.004 -4.803 1.00 0.00 C ATOM 0 H MET A 70 -10.951 8.148 -2.817 1.00 0.00 H new ATOM 0 HA MET A 70 -10.071 5.807 -1.529 1.00 0.00 H new ATOM 0 HB2 MET A 70 -11.445 6.048 -3.664 1.00 0.00 H new ATOM 0 HB3 MET A 70 -9.964 6.478 -4.496 1.00 0.00 H new ATOM 0 HG2 MET A 70 -9.905 4.253 -4.943 1.00 0.00 H new ATOM 0 HG3 MET A 70 -9.128 4.180 -3.374 1.00 0.00 H new ATOM 0 HE1 MET A 70 -12.548 1.957 -4.817 1.00 0.00 H new ATOM 0 HE2 MET A 70 -13.132 3.637 -4.869 1.00 0.00 H new ATOM 0 HE3 MET A 70 -11.593 3.205 -5.652 1.00 0.00 H new ATOM 1101 N TYR A 71 -7.716 7.682 -2.729 1.00 0.00 N ATOM 1102 CA TYR A 71 -6.270 7.844 -2.833 1.00 0.00 C ATOM 1103 C TYR A 71 -5.664 8.242 -1.490 1.00 0.00 C ATOM 1104 O TYR A 71 -4.535 7.870 -1.168 1.00 0.00 O ATOM 1105 CB TYR A 71 -5.927 8.894 -3.890 1.00 0.00 C ATOM 1106 CG TYR A 71 -6.221 8.451 -5.305 1.00 0.00 C ATOM 1107 CD1 TYR A 71 -5.896 7.171 -5.734 1.00 0.00 C ATOM 1108 CD2 TYR A 71 -6.824 9.313 -6.212 1.00 0.00 C ATOM 1109 CE1 TYR A 71 -6.163 6.762 -7.027 1.00 0.00 C ATOM 1110 CE2 TYR A 71 -7.097 8.912 -7.507 1.00 0.00 C ATOM 1111 CZ TYR A 71 -6.763 7.636 -7.909 1.00 0.00 C ATOM 1112 OH TYR A 71 -7.031 7.232 -9.198 1.00 0.00 O ATOM 0 H TYR A 71 -8.249 8.535 -2.897 1.00 0.00 H new ATOM 0 HA TYR A 71 -5.846 6.885 -3.131 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -6.488 9.805 -3.680 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -4.869 9.145 -3.810 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -5.427 6.484 -5.046 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -7.084 10.314 -5.900 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -5.903 5.763 -7.345 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -7.569 9.594 -8.199 1.00 0.00 H new ATOM 0 HH TYR A 71 -7.456 7.966 -9.689 1.00 0.00 H new ATOM 1122 N ALA A 72 -6.424 9.000 -0.707 1.00 0.00 N ATOM 1123 CA ALA A 72 -5.963 9.450 0.600 1.00 0.00 C ATOM 1124 C ALA A 72 -5.720 8.268 1.531 1.00 0.00 C ATOM 1125 O ALA A 72 -4.664 8.164 2.154 1.00 0.00 O ATOM 1126 CB ALA A 72 -6.969 10.412 1.214 1.00 0.00 C ATOM 0 H ALA A 72 -7.362 9.315 -0.955 1.00 0.00 H new ATOM 0 HA ALA A 72 -5.016 9.973 0.464 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -6.611 10.739 2.190 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.089 11.278 0.563 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -7.929 9.909 1.330 1.00 0.00 H new ATOM 1132 N ALA A 73 -6.703 7.379 1.619 1.00 0.00 N ATOM 1133 CA ALA A 73 -6.594 6.201 2.473 1.00 0.00 C ATOM 1134 C ALA A 73 -5.340 5.397 2.143 1.00 0.00 C ATOM 1135 O ALA A 73 -4.749 4.764 3.017 1.00 0.00 O ATOM 1136 CB ALA A 73 -7.834 5.330 2.333 1.00 0.00 C ATOM 0 H ALA A 73 -7.584 7.451 1.110 1.00 0.00 H new ATOM 0 HA ALA A 73 -6.516 6.539 3.506 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -7.738 4.455 2.976 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -8.715 5.901 2.626 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -7.938 5.009 1.297 1.00 0.00 H new ATOM 1142 N ILE A 74 -4.937 5.435 0.877 1.00 0.00 N ATOM 1143 CA ILE A 74 -3.749 4.717 0.432 1.00 0.00 C ATOM 1144 C ILE A 74 -2.481 5.486 0.790 1.00 0.00 C ATOM 1145 O ILE A 74 -1.406 4.902 0.928 1.00 0.00 O ATOM 1146 CB ILE A 74 -3.776 4.466 -1.089 1.00 0.00 C ATOM 1147 CG1 ILE A 74 -5.100 3.816 -1.499 1.00 0.00 C ATOM 1148 CG2 ILE A 74 -2.602 3.592 -1.504 1.00 0.00 C ATOM 1149 CD1 ILE A 74 -5.327 2.458 -0.871 1.00 0.00 C ATOM 0 H ILE A 74 -5.416 5.955 0.142 1.00 0.00 H new ATOM 0 HA ILE A 74 -3.747 3.756 0.947 1.00 0.00 H new ATOM 0 HB ILE A 74 -3.689 5.425 -1.600 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -5.921 4.477 -1.222 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -5.125 3.714 -2.584 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -2.636 3.424 -2.581 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -1.668 4.090 -1.243 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -2.660 2.635 -0.986 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -6.284 2.058 -1.206 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -4.526 1.781 -1.168 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -5.335 2.556 0.215 1.00 0.00 H new ATOM 1161 N ASP A 75 -2.615 6.800 0.946 1.00 0.00 N ATOM 1162 CA ASP A 75 -1.478 7.644 1.296 1.00 0.00 C ATOM 1163 C ASP A 75 -1.057 7.410 2.744 1.00 0.00 C ATOM 1164 O ASP A 75 0.109 7.134 3.026 1.00 0.00 O ATOM 1165 CB ASP A 75 -1.827 9.120 1.086 1.00 0.00 C ATOM 1166 CG ASP A 75 -0.654 9.922 0.557 1.00 0.00 C ATOM 1167 OD1 ASP A 75 -0.428 9.905 -0.671 1.00 0.00 O ATOM 1168 OD2 ASP A 75 0.038 10.567 1.371 1.00 0.00 O ATOM 0 H ASP A 75 -3.496 7.301 0.836 1.00 0.00 H new ATOM 0 HA ASP A 75 -0.645 7.380 0.645 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -2.661 9.198 0.388 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -2.161 9.550 2.031 1.00 0.00 H new ATOM 1173 N GLY A 76 -2.017 7.517 3.657 1.00 0.00 N ATOM 1174 CA GLY A 76 -1.729 7.309 5.064 1.00 0.00 C ATOM 1175 C GLY A 76 -1.424 5.858 5.380 1.00 0.00 C ATOM 1176 O GLY A 76 -0.606 5.564 6.253 1.00 0.00 O ATOM 0 H GLY A 76 -2.989 7.744 3.448 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -0.880 7.928 5.354 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -2.581 7.637 5.659 1.00 0.00 H new ATOM 1180 N LEU A 77 -2.080 4.951 4.665 1.00 0.00 N ATOM 1181 CA LEU A 77 -1.875 3.522 4.869 1.00 0.00 C ATOM 1182 C LEU A 77 -0.479 3.107 4.409 1.00 0.00 C ATOM 1183 O LEU A 77 0.191 2.309 5.062 1.00 0.00 O ATOM 1184 CB LEU A 77 -2.939 2.726 4.109 1.00 0.00 C ATOM 1185 CG LEU A 77 -2.703 1.215 4.037 1.00 0.00 C ATOM 1186 CD1 LEU A 77 -2.496 0.636 5.429 1.00 0.00 C ATOM 1187 CD2 LEU A 77 -3.867 0.529 3.337 1.00 0.00 C ATOM 0 H LEU A 77 -2.759 5.180 3.939 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.964 3.308 5.934 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.906 2.903 4.580 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.003 3.115 3.093 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.798 1.035 3.457 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.330 -0.439 5.355 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.629 1.106 5.893 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -3.381 0.826 6.037 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.684 -0.545 3.294 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -4.787 0.718 3.890 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.965 0.921 2.325 1.00 0.00 H new ATOM 1199 N ILE A 78 -0.050 3.664 3.284 1.00 0.00 N ATOM 1200 CA ILE A 78 1.267 3.364 2.737 1.00 0.00 C ATOM 1201 C ILE A 78 2.355 4.173 3.445 1.00 0.00 C ATOM 1202 O ILE A 78 3.543 3.874 3.321 1.00 0.00 O ATOM 1203 CB ILE A 78 1.318 3.648 1.221 1.00 0.00 C ATOM 1204 CG1 ILE A 78 0.362 2.713 0.478 1.00 0.00 C ATOM 1205 CG2 ILE A 78 2.737 3.492 0.686 1.00 0.00 C ATOM 1206 CD1 ILE A 78 0.744 1.253 0.585 1.00 0.00 C ATOM 0 H ILE A 78 -0.595 4.326 2.732 1.00 0.00 H new ATOM 0 HA ILE A 78 1.451 2.303 2.903 1.00 0.00 H new ATOM 0 HB ILE A 78 1.005 4.679 1.054 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -0.645 2.847 0.873 1.00 0.00 H new ATOM 0 HG13 ILE A 78 0.333 2.997 -0.574 1.00 0.00 H new ATOM 0 HG21 ILE A 78 2.747 3.697 -0.384 1.00 0.00 H new ATOM 0 HG22 ILE A 78 3.397 4.193 1.196 1.00 0.00 H new ATOM 0 HG23 ILE A 78 3.083 2.474 0.863 1.00 0.00 H new ATOM 0 HD11 ILE A 78 0.024 0.647 0.035 1.00 0.00 H new ATOM 0 HD12 ILE A 78 1.738 1.105 0.164 1.00 0.00 H new ATOM 0 HD13 ILE A 78 0.746 0.953 1.633 1.00 0.00 H new ATOM 1218 N ASP A 79 1.941 5.186 4.203 1.00 0.00 N ATOM 1219 CA ASP A 79 2.881 6.021 4.938 1.00 0.00 C ATOM 1220 C ASP A 79 3.315 5.330 6.225 1.00 0.00 C ATOM 1221 O ASP A 79 4.508 5.146 6.475 1.00 0.00 O ATOM 1222 CB ASP A 79 2.252 7.378 5.258 1.00 0.00 C ATOM 1223 CG ASP A 79 2.595 8.433 4.223 1.00 0.00 C ATOM 1224 OD1 ASP A 79 2.750 8.074 3.037 1.00 0.00 O ATOM 1225 OD2 ASP A 79 2.709 9.618 4.600 1.00 0.00 O ATOM 0 H ASP A 79 0.962 5.446 4.323 1.00 0.00 H new ATOM 0 HA ASP A 79 3.760 6.180 4.313 1.00 0.00 H new ATOM 0 HB2 ASP A 79 1.169 7.269 5.316 1.00 0.00 H new ATOM 0 HB3 ASP A 79 2.592 7.711 6.239 1.00 0.00 H new ATOM 1230 N LYS A 80 2.338 4.944 7.039 1.00 0.00 N ATOM 1231 CA LYS A 80 2.614 4.268 8.300 1.00 0.00 C ATOM 1232 C LYS A 80 3.188 2.877 8.050 1.00 0.00 C ATOM 1233 O LYS A 80 4.035 2.399 8.804 1.00 0.00 O ATOM 1234 CB LYS A 80 1.341 4.158 9.140 1.00 0.00 C ATOM 1235 CG LYS A 80 0.565 5.462 9.254 1.00 0.00 C ATOM 1236 CD LYS A 80 -0.923 5.208 9.430 1.00 0.00 C ATOM 1237 CE LYS A 80 -1.752 6.386 8.946 1.00 0.00 C ATOM 1238 NZ LYS A 80 -1.903 7.427 9.998 1.00 0.00 N ATOM 0 H LYS A 80 1.347 5.088 6.847 1.00 0.00 H new ATOM 0 HA LYS A 80 3.349 4.860 8.846 1.00 0.00 H new ATOM 0 HB2 LYS A 80 0.693 3.398 8.703 1.00 0.00 H new ATOM 0 HB3 LYS A 80 1.606 3.815 10.140 1.00 0.00 H new ATOM 0 HG2 LYS A 80 0.940 6.038 10.100 1.00 0.00 H new ATOM 0 HG3 LYS A 80 0.730 6.064 8.361 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -1.207 4.311 8.879 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -1.139 5.018 10.481 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -1.281 6.824 8.066 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -2.737 6.035 8.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -2.475 8.213 9.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -2.375 7.016 10.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -0.965 7.781 10.274 1.00 0.00 H new ATOM 1252 N LEU A 81 2.717 2.233 6.988 1.00 0.00 N ATOM 1253 CA LEU A 81 3.179 0.896 6.637 1.00 0.00 C ATOM 1254 C LEU A 81 4.659 0.910 6.270 1.00 0.00 C ATOM 1255 O LEU A 81 5.435 0.096 6.765 1.00 0.00 O ATOM 1256 CB LEU A 81 2.354 0.338 5.472 1.00 0.00 C ATOM 1257 CG LEU A 81 1.000 -0.281 5.849 1.00 0.00 C ATOM 1258 CD1 LEU A 81 1.146 -1.778 6.072 1.00 0.00 C ATOM 1259 CD2 LEU A 81 0.414 0.388 7.086 1.00 0.00 C ATOM 0 H LEU A 81 2.015 2.616 6.355 1.00 0.00 H new ATOM 0 HA LEU A 81 3.047 0.252 7.507 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.178 1.142 4.758 1.00 0.00 H new ATOM 0 HB3 LEU A 81 2.948 -0.419 4.960 1.00 0.00 H new ATOM 0 HG LEU A 81 0.311 -0.116 5.021 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.178 -2.202 6.338 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.509 -2.248 5.158 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.856 -1.958 6.879 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.544 -0.071 7.329 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.098 0.264 7.925 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.268 1.450 6.890 1.00 0.00 H new ATOM 1271 N ALA A 82 5.046 1.843 5.404 1.00 0.00 N ATOM 1272 CA ALA A 82 6.439 1.955 4.980 1.00 0.00 C ATOM 1273 C ALA A 82 7.364 2.142 6.178 1.00 0.00 C ATOM 1274 O ALA A 82 8.313 1.381 6.368 1.00 0.00 O ATOM 1275 CB ALA A 82 6.602 3.105 3.999 1.00 0.00 C ATOM 0 H ALA A 82 4.419 2.529 4.984 1.00 0.00 H new ATOM 0 HA ALA A 82 6.717 1.026 4.482 1.00 0.00 H new ATOM 0 HB1 ALA A 82 7.645 3.176 3.692 1.00 0.00 H new ATOM 0 HB2 ALA A 82 5.977 2.928 3.124 1.00 0.00 H new ATOM 0 HB3 ALA A 82 6.300 4.037 4.477 1.00 0.00 H new ATOM 1281 N ARG A 83 7.084 3.163 6.982 1.00 0.00 N ATOM 1282 CA ARG A 83 7.892 3.458 8.162 1.00 0.00 C ATOM 1283 C ARG A 83 8.026 2.234 9.066 1.00 0.00 C ATOM 1284 O ARG A 83 9.053 2.042 9.717 1.00 0.00 O ATOM 1285 CB ARG A 83 7.279 4.621 8.946 1.00 0.00 C ATOM 1286 CG ARG A 83 7.830 5.981 8.549 1.00 0.00 C ATOM 1287 CD ARG A 83 9.272 6.150 8.998 1.00 0.00 C ATOM 1288 NE ARG A 83 9.975 7.163 8.215 1.00 0.00 N ATOM 1289 CZ ARG A 83 9.847 8.473 8.414 1.00 0.00 C ATOM 1290 NH1 ARG A 83 9.046 8.934 9.366 1.00 0.00 N ATOM 1291 NH2 ARG A 83 10.522 9.327 7.655 1.00 0.00 N ATOM 0 H ARG A 83 6.302 3.802 6.838 1.00 0.00 H new ATOM 0 HA ARG A 83 8.889 3.738 7.821 1.00 0.00 H new ATOM 0 HB2 ARG A 83 6.199 4.619 8.798 1.00 0.00 H new ATOM 0 HB3 ARG A 83 7.455 4.464 10.010 1.00 0.00 H new ATOM 0 HG2 ARG A 83 7.769 6.098 7.467 1.00 0.00 H new ATOM 0 HG3 ARG A 83 7.216 6.766 8.990 1.00 0.00 H new ATOM 0 HD2 ARG A 83 9.293 6.428 10.052 1.00 0.00 H new ATOM 0 HD3 ARG A 83 9.793 5.197 8.909 1.00 0.00 H new ATOM 0 HE ARG A 83 10.600 6.848 7.473 1.00 0.00 H new ATOM 0 HH11 ARG A 83 8.523 8.283 9.952 1.00 0.00 H new ATOM 0 HH12 ARG A 83 8.953 9.939 9.512 1.00 0.00 H new ATOM 0 HH21 ARG A 83 11.138 8.979 6.920 1.00 0.00 H new ATOM 0 HH22 ARG A 83 10.425 10.331 7.806 1.00 0.00 H new ATOM 1305 N GLN A 84 6.986 1.405 9.098 1.00 0.00 N ATOM 1306 CA GLN A 84 6.996 0.202 9.922 1.00 0.00 C ATOM 1307 C GLN A 84 7.840 -0.892 9.274 1.00 0.00 C ATOM 1308 O GLN A 84 8.693 -1.500 9.922 1.00 0.00 O ATOM 1309 CB GLN A 84 5.569 -0.302 10.144 1.00 0.00 C ATOM 1310 CG GLN A 84 4.712 0.642 10.971 1.00 0.00 C ATOM 1311 CD GLN A 84 4.717 0.292 12.447 1.00 0.00 C ATOM 1312 OE1 GLN A 84 4.325 -0.807 12.838 1.00 0.00 O ATOM 1313 NE2 GLN A 84 5.162 1.229 13.275 1.00 0.00 N ATOM 0 H GLN A 84 6.128 1.545 8.564 1.00 0.00 H new ATOM 0 HA GLN A 84 7.437 0.455 10.886 1.00 0.00 H new ATOM 0 HB2 GLN A 84 5.093 -0.458 9.176 1.00 0.00 H new ATOM 0 HB3 GLN A 84 5.608 -1.272 10.640 1.00 0.00 H new ATOM 0 HG2 GLN A 84 5.073 1.662 10.842 1.00 0.00 H new ATOM 0 HG3 GLN A 84 3.688 0.617 10.599 1.00 0.00 H new ATOM 0 HE21 GLN A 84 5.478 2.127 12.907 1.00 0.00 H new ATOM 0 HE22 GLN A 84 5.188 1.052 14.279 1.00 0.00 H new ATOM 1322 N LEU A 85 7.598 -1.133 7.990 1.00 0.00 N ATOM 1323 CA LEU A 85 8.335 -2.149 7.248 1.00 0.00 C ATOM 1324 C LEU A 85 9.833 -1.865 7.281 1.00 0.00 C ATOM 1325 O LEU A 85 10.643 -2.775 7.462 1.00 0.00 O ATOM 1326 CB LEU A 85 7.845 -2.212 5.799 1.00 0.00 C ATOM 1327 CG LEU A 85 6.634 -3.118 5.544 1.00 0.00 C ATOM 1328 CD1 LEU A 85 7.060 -4.579 5.507 1.00 0.00 C ATOM 1329 CD2 LEU A 85 5.554 -2.902 6.598 1.00 0.00 C ATOM 0 H LEU A 85 6.896 -0.637 7.441 1.00 0.00 H new ATOM 0 HA LEU A 85 8.156 -3.113 7.724 1.00 0.00 H new ATOM 0 HB2 LEU A 85 7.594 -1.202 5.476 1.00 0.00 H new ATOM 0 HB3 LEU A 85 8.668 -2.552 5.171 1.00 0.00 H new ATOM 0 HG LEU A 85 6.214 -2.853 4.574 1.00 0.00 H new ATOM 0 HD11 LEU A 85 6.188 -5.208 5.325 1.00 0.00 H new ATOM 0 HD12 LEU A 85 7.787 -4.726 4.708 1.00 0.00 H new ATOM 0 HD13 LEU A 85 7.511 -4.851 6.462 1.00 0.00 H new ATOM 0 HD21 LEU A 85 4.708 -3.557 6.392 1.00 0.00 H new ATOM 0 HD22 LEU A 85 5.958 -3.130 7.585 1.00 0.00 H new ATOM 0 HD23 LEU A 85 5.223 -1.864 6.573 1.00 0.00 H new ATOM 1341 N THR A 86 10.196 -0.599 7.103 1.00 0.00 N ATOM 1342 CA THR A 86 11.598 -0.196 7.114 1.00 0.00 C ATOM 1343 C THR A 86 12.210 -0.386 8.497 1.00 0.00 C ATOM 1344 O THR A 86 13.357 -0.811 8.625 1.00 0.00 O ATOM 1345 CB THR A 86 11.733 1.265 6.680 1.00 0.00 C ATOM 1346 OG1 THR A 86 10.953 1.519 5.525 1.00 0.00 O ATOM 1347 CG2 THR A 86 13.160 1.665 6.367 1.00 0.00 C ATOM 0 H THR A 86 9.539 0.166 6.949 1.00 0.00 H new ATOM 0 HA THR A 86 12.137 -0.829 6.409 1.00 0.00 H new ATOM 0 HB THR A 86 11.384 1.853 7.529 1.00 0.00 H new ATOM 0 HG1 THR A 86 10.929 0.716 4.963 1.00 0.00 H new ATOM 0 HG21 THR A 86 13.187 2.712 6.066 1.00 0.00 H new ATOM 0 HG22 THR A 86 13.779 1.527 7.253 1.00 0.00 H new ATOM 0 HG23 THR A 86 13.542 1.044 5.557 1.00 0.00 H new ATOM 1355 N LYS A 87 11.437 -0.068 9.531 1.00 0.00 N ATOM 1356 CA LYS A 87 11.905 -0.203 10.907 1.00 0.00 C ATOM 1357 C LYS A 87 12.440 -1.609 11.170 1.00 0.00 C ATOM 1358 O LYS A 87 13.611 -1.785 11.506 1.00 0.00 O ATOM 1359 CB LYS A 87 10.772 0.115 11.886 1.00 0.00 C ATOM 1360 CG LYS A 87 10.781 1.553 12.379 1.00 0.00 C ATOM 1361 CD LYS A 87 11.489 1.679 13.719 1.00 0.00 C ATOM 1362 CE LYS A 87 10.597 2.335 14.762 1.00 0.00 C ATOM 1363 NZ LYS A 87 10.893 3.785 14.913 1.00 0.00 N ATOM 0 H LYS A 87 10.484 0.285 9.443 1.00 0.00 H new ATOM 0 HA LYS A 87 12.718 0.507 11.057 1.00 0.00 H new ATOM 0 HB2 LYS A 87 9.817 -0.089 11.402 1.00 0.00 H new ATOM 0 HB3 LYS A 87 10.844 -0.555 12.743 1.00 0.00 H new ATOM 0 HG2 LYS A 87 11.276 2.188 11.644 1.00 0.00 H new ATOM 0 HG3 LYS A 87 9.756 1.913 12.473 1.00 0.00 H new ATOM 0 HD2 LYS A 87 11.791 0.691 14.066 1.00 0.00 H new ATOM 0 HD3 LYS A 87 12.400 2.266 13.597 1.00 0.00 H new ATOM 0 HE2 LYS A 87 9.552 2.205 14.479 1.00 0.00 H new ATOM 0 HE3 LYS A 87 10.732 1.835 15.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 10.264 4.195 15.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 11.883 3.908 15.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 10.740 4.267 14.004 1.00 0.00 H new ATOM 1377 N HIS A 88 11.573 -2.606 11.023 1.00 0.00 N ATOM 1378 CA HIS A 88 11.964 -3.994 11.251 1.00 0.00 C ATOM 1379 C HIS A 88 12.973 -4.463 10.203 1.00 0.00 C ATOM 1380 O HIS A 88 13.773 -5.363 10.460 1.00 0.00 O ATOM 1381 CB HIS A 88 10.728 -4.905 11.263 1.00 0.00 C ATOM 1382 CG HIS A 88 10.196 -5.258 9.905 1.00 0.00 C ATOM 1383 ND1 HIS A 88 10.791 -5.851 8.842 1.00 0.00 N flip ATOM 1384 CD2 HIS A 88 8.892 -5.017 9.525 1.00 0.00 C flip ATOM 1385 CE1 HIS A 88 9.844 -5.957 7.852 1.00 0.00 C flip ATOM 1386 NE2 HIS A 88 8.707 -5.447 8.290 1.00 0.00 N flip ATOM 0 H HIS A 88 10.599 -2.480 10.748 1.00 0.00 H new ATOM 0 HA HIS A 88 12.447 -4.053 12.227 1.00 0.00 H new ATOM 0 HB2 HIS A 88 10.977 -5.825 11.791 1.00 0.00 H new ATOM 0 HB3 HIS A 88 9.938 -4.415 11.832 1.00 0.00 H new ATOM 0 HD1 HIS A 88 11.761 -6.161 8.787 1.00 0.00 H new ATOM 0 HD2 HIS A 88 8.139 -4.549 10.142 1.00 0.00 H new ATOM 0 HE1 HIS A 88 10.003 -6.387 6.874 1.00 0.00 H new ATOM 1395 N LYS A 89 12.928 -3.850 9.024 1.00 0.00 N ATOM 1396 CA LYS A 89 13.840 -4.208 7.942 1.00 0.00 C ATOM 1397 C LYS A 89 15.271 -3.778 8.258 1.00 0.00 C ATOM 1398 O LYS A 89 16.224 -4.292 7.672 1.00 0.00 O ATOM 1399 CB LYS A 89 13.382 -3.571 6.629 1.00 0.00 C ATOM 1400 CG LYS A 89 12.566 -4.506 5.751 1.00 0.00 C ATOM 1401 CD LYS A 89 13.455 -5.494 5.012 1.00 0.00 C ATOM 1402 CE LYS A 89 14.360 -4.792 4.011 1.00 0.00 C ATOM 1403 NZ LYS A 89 15.801 -5.038 4.296 1.00 0.00 N ATOM 0 H LYS A 89 12.271 -3.104 8.793 1.00 0.00 H new ATOM 0 HA LYS A 89 13.825 -5.293 7.839 1.00 0.00 H new ATOM 0 HB2 LYS A 89 12.788 -2.685 6.853 1.00 0.00 H new ATOM 0 HB3 LYS A 89 14.257 -3.236 6.073 1.00 0.00 H new ATOM 0 HG2 LYS A 89 11.848 -5.050 6.365 1.00 0.00 H new ATOM 0 HG3 LYS A 89 11.992 -3.922 5.031 1.00 0.00 H new ATOM 0 HD2 LYS A 89 14.063 -6.045 5.730 1.00 0.00 H new ATOM 0 HD3 LYS A 89 12.835 -6.225 4.493 1.00 0.00 H new ATOM 0 HE2 LYS A 89 14.125 -5.138 3.004 1.00 0.00 H new ATOM 0 HE3 LYS A 89 14.163 -3.720 4.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 16.384 -4.542 3.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 16.032 -4.685 5.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 15.995 -6.059 4.249 1.00 0.00 H new ATOM 1417 N ASP A 90 15.418 -2.836 9.184 1.00 0.00 N ATOM 1418 CA ASP A 90 16.737 -2.347 9.570 1.00 0.00 C ATOM 1419 C ASP A 90 17.405 -3.298 10.558 1.00 0.00 C ATOM 1420 O ASP A 90 18.632 -3.367 10.637 1.00 0.00 O ATOM 1421 CB ASP A 90 16.625 -0.948 10.185 1.00 0.00 C ATOM 1422 CG ASP A 90 17.717 -0.015 9.697 1.00 0.00 C ATOM 1423 OD1 ASP A 90 17.710 0.329 8.496 1.00 0.00 O ATOM 1424 OD2 ASP A 90 18.576 0.370 10.517 1.00 0.00 O ATOM 0 H ASP A 90 14.642 -2.397 9.680 1.00 0.00 H new ATOM 0 HA ASP A 90 17.354 -2.295 8.673 1.00 0.00 H new ATOM 0 HB2 ASP A 90 15.651 -0.523 9.941 1.00 0.00 H new ATOM 0 HB3 ASP A 90 16.675 -1.026 11.271 1.00 0.00 H new