USER MOD reduce.3.24.130724 H: found=0, std=0, add=478, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 478 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 23 LYS NZ :NH3+ -116:sc= -2.91 (180deg=-3.66!) USER MOD Set 1.2: A 27 MET CE :methyl -161:sc= -5.24 (180deg=-3.06!) USER MOD Set 1.3: A 42 CYS SG : rot 156:sc= -6.79! USER MOD Set 1.4: A 44 ASN :FLIP amide:sc= -6.09! C(o=-24!,f=-21!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= -0.369 X(o=-0.37,f=-0.35) USER MOD Single : A 6 GLN : amide:sc= -1.32 K(o=-1.3,f=-6.3!) USER MOD Single : A 7 THR OG1 : rot 87:sc= 0.871 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 114:sc= 0.137 USER MOD Single : A 15 THR OG1 : rot 90:sc= 1.34 USER MOD Single : A 20 ASN : amide:sc= -0.376 X(o=-0.38,f=-0.44) USER MOD Single : A 26 THR OG1 : rot 70:sc= 0.444 USER MOD Single : A 32 LYS NZ :NH3+ 169:sc= 0.15 (180deg=0.121) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 LYS NZ :NH3+ -170:sc= -1.94 (180deg=-2.46) USER MOD Single : A 43 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.0405) USER MOD Single : A 48 GLN : amide:sc= -0.488 X(o=-0.49,f=-0.42) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN :FLIP amide:sc= 0.553 F(o=-0.51,f=0.55) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.328 -10.277 4.965 1.00 0.00 N ATOM 2 CA GLY A 1 14.156 -10.067 3.745 1.00 0.00 C ATOM 3 C GLY A 1 13.557 -9.038 2.806 1.00 0.00 C ATOM 4 O GLY A 1 14.043 -7.911 2.718 1.00 0.00 O ATOM 0 H1 GLY A 1 13.780 -10.989 5.573 1.00 0.00 H new ATOM 0 H2 GLY A 1 13.243 -9.381 5.485 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.382 -10.608 4.689 1.00 0.00 H new ATOM 0 HA2 GLY A 1 15.156 -9.747 4.039 1.00 0.00 H new ATOM 0 HA3 GLY A 1 14.267 -11.014 3.218 1.00 0.00 H new ATOM 10 N SER A 2 12.500 -9.427 2.103 1.00 0.00 N ATOM 11 CA SER A 2 11.833 -8.531 1.166 1.00 0.00 C ATOM 12 C SER A 2 11.163 -7.376 1.900 1.00 0.00 C ATOM 13 O SER A 2 10.598 -7.560 2.979 1.00 0.00 O ATOM 14 CB SER A 2 10.786 -9.295 0.349 1.00 0.00 C ATOM 15 OG SER A 2 11.009 -9.135 -1.041 1.00 0.00 O ATOM 0 H SER A 2 12.086 -10.357 2.164 1.00 0.00 H new ATOM 0 HA SER A 2 12.590 -8.127 0.494 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.820 -10.354 0.607 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.789 -8.937 0.604 1.00 0.00 H new ATOM 0 HG SER A 2 10.329 -9.633 -1.541 1.00 0.00 H new ATOM 21 N HIS A 3 11.202 -6.193 1.299 1.00 0.00 N ATOM 22 CA HIS A 3 10.565 -5.026 1.898 1.00 0.00 C ATOM 23 C HIS A 3 9.079 -5.065 1.593 1.00 0.00 C ATOM 24 O HIS A 3 8.666 -4.943 0.440 1.00 0.00 O ATOM 25 CB HIS A 3 11.169 -3.708 1.392 1.00 0.00 C ATOM 26 CG HIS A 3 12.307 -3.870 0.428 1.00 0.00 C ATOM 27 ND1 HIS A 3 12.202 -3.584 -0.917 1.00 0.00 N ATOM 28 CD2 HIS A 3 13.580 -4.291 0.621 1.00 0.00 C ATOM 29 CE1 HIS A 3 13.358 -3.824 -1.509 1.00 0.00 C ATOM 30 NE2 HIS A 3 14.211 -4.252 -0.598 1.00 0.00 N ATOM 0 H HIS A 3 11.663 -6.017 0.406 1.00 0.00 H new ATOM 0 HA HIS A 3 10.735 -5.063 2.974 1.00 0.00 H new ATOM 0 HB2 HIS A 3 10.383 -3.125 0.911 1.00 0.00 H new ATOM 0 HB3 HIS A 3 11.516 -3.130 2.249 1.00 0.00 H new ATOM 0 HD2 HIS A 3 14.017 -4.600 1.559 1.00 0.00 H new ATOM 0 HE1 HIS A 3 13.569 -3.692 -2.560 1.00 0.00 H new ATOM 0 HE2 HIS A 3 15.182 -4.512 -0.771 1.00 0.00 H new ATOM 39 N VAL A 4 8.280 -5.268 2.627 1.00 0.00 N ATOM 40 CA VAL A 4 6.838 -5.360 2.461 1.00 0.00 C ATOM 41 C VAL A 4 6.115 -4.430 3.416 1.00 0.00 C ATOM 42 O VAL A 4 6.711 -3.896 4.345 1.00 0.00 O ATOM 43 CB VAL A 4 6.333 -6.803 2.677 1.00 0.00 C ATOM 44 CG1 VAL A 4 5.285 -7.161 1.638 1.00 0.00 C ATOM 45 CG2 VAL A 4 7.484 -7.792 2.622 1.00 0.00 C ATOM 0 H VAL A 4 8.604 -5.372 3.589 1.00 0.00 H new ATOM 0 HA VAL A 4 6.620 -5.061 1.436 1.00 0.00 H new ATOM 0 HB VAL A 4 5.879 -6.858 3.666 1.00 0.00 H new ATOM 0 HG11 VAL A 4 4.940 -8.181 1.805 1.00 0.00 H new ATOM 0 HG12 VAL A 4 4.442 -6.475 1.720 1.00 0.00 H new ATOM 0 HG13 VAL A 4 5.720 -7.084 0.641 1.00 0.00 H new ATOM 0 HG21 VAL A 4 7.104 -8.802 2.777 1.00 0.00 H new ATOM 0 HG22 VAL A 4 7.969 -7.732 1.648 1.00 0.00 H new ATOM 0 HG23 VAL A 4 8.207 -7.553 3.402 1.00 0.00 H new ATOM 55 N VAL A 5 4.827 -4.237 3.182 1.00 0.00 N ATOM 56 CA VAL A 5 4.026 -3.370 4.030 1.00 0.00 C ATOM 57 C VAL A 5 2.750 -4.074 4.467 1.00 0.00 C ATOM 58 O VAL A 5 2.253 -4.972 3.789 1.00 0.00 O ATOM 59 CB VAL A 5 3.724 -1.998 3.357 1.00 0.00 C ATOM 60 CG1 VAL A 5 4.036 -2.008 1.876 1.00 0.00 C ATOM 61 CG2 VAL A 5 2.299 -1.521 3.592 1.00 0.00 C ATOM 0 H VAL A 5 4.315 -4.669 2.413 1.00 0.00 H new ATOM 0 HA VAL A 5 4.615 -3.152 4.921 1.00 0.00 H new ATOM 0 HB VAL A 5 4.390 -1.286 3.844 1.00 0.00 H new ATOM 0 HG11 VAL A 5 3.810 -1.031 1.450 1.00 0.00 H new ATOM 0 HG12 VAL A 5 5.092 -2.233 1.728 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.431 -2.768 1.382 1.00 0.00 H new ATOM 0 HG21 VAL A 5 2.151 -0.561 3.098 1.00 0.00 H new ATOM 0 HG22 VAL A 5 1.599 -2.250 3.184 1.00 0.00 H new ATOM 0 HG23 VAL A 5 2.124 -1.410 4.662 1.00 0.00 H new ATOM 71 N GLN A 6 2.249 -3.682 5.625 1.00 0.00 N ATOM 72 CA GLN A 6 1.049 -4.292 6.182 1.00 0.00 C ATOM 73 C GLN A 6 -0.090 -3.286 6.273 1.00 0.00 C ATOM 74 O GLN A 6 0.132 -2.106 6.539 1.00 0.00 O ATOM 75 CB GLN A 6 1.351 -4.870 7.565 1.00 0.00 C ATOM 76 CG GLN A 6 0.609 -6.163 7.862 1.00 0.00 C ATOM 77 CD GLN A 6 1.151 -6.877 9.084 1.00 0.00 C ATOM 78 OE1 GLN A 6 2.100 -7.655 8.993 1.00 0.00 O ATOM 79 NE2 GLN A 6 0.548 -6.614 10.237 1.00 0.00 N ATOM 0 H GLN A 6 2.653 -2.943 6.201 1.00 0.00 H new ATOM 0 HA GLN A 6 0.736 -5.096 5.515 1.00 0.00 H new ATOM 0 HB2 GLN A 6 2.423 -5.049 7.648 1.00 0.00 H new ATOM 0 HB3 GLN A 6 1.092 -4.130 8.323 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -0.448 -5.945 8.012 1.00 0.00 H new ATOM 0 HG3 GLN A 6 0.679 -6.824 6.998 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -0.236 -5.962 10.266 1.00 0.00 H new ATOM 0 HE22 GLN A 6 0.868 -7.064 11.094 1.00 0.00 H new ATOM 88 N THR A 7 -1.313 -3.759 6.046 1.00 0.00 N ATOM 89 CA THR A 7 -2.479 -2.889 6.102 1.00 0.00 C ATOM 90 C THR A 7 -3.422 -3.288 7.223 1.00 0.00 C ATOM 91 O THR A 7 -3.474 -4.449 7.630 1.00 0.00 O ATOM 92 CB THR A 7 -3.237 -2.918 4.784 1.00 0.00 C ATOM 93 OG1 THR A 7 -3.117 -4.185 4.161 1.00 0.00 O ATOM 94 CG2 THR A 7 -2.766 -1.871 3.799 1.00 0.00 C ATOM 0 H THR A 7 -1.519 -4.733 5.823 1.00 0.00 H new ATOM 0 HA THR A 7 -2.113 -1.880 6.293 1.00 0.00 H new ATOM 0 HB THR A 7 -4.274 -2.706 5.044 1.00 0.00 H new ATOM 0 HG1 THR A 7 -3.820 -4.781 4.494 1.00 0.00 H new ATOM 0 HG21 THR A 7 -3.348 -1.947 2.881 1.00 0.00 H new ATOM 0 HG22 THR A 7 -2.898 -0.879 4.231 1.00 0.00 H new ATOM 0 HG23 THR A 7 -1.712 -2.031 3.574 1.00 0.00 H new ATOM 102 N LEU A 8 -4.171 -2.310 7.711 1.00 0.00 N ATOM 103 CA LEU A 8 -5.124 -2.538 8.781 1.00 0.00 C ATOM 104 C LEU A 8 -6.487 -1.935 8.440 1.00 0.00 C ATOM 105 O LEU A 8 -7.524 -2.559 8.664 1.00 0.00 O ATOM 106 CB LEU A 8 -4.618 -1.951 10.104 1.00 0.00 C ATOM 107 CG LEU A 8 -3.351 -1.088 10.044 1.00 0.00 C ATOM 108 CD1 LEU A 8 -2.178 -1.868 9.469 1.00 0.00 C ATOM 109 CD2 LEU A 8 -3.607 0.178 9.251 1.00 0.00 C ATOM 0 H LEU A 8 -4.135 -1.346 7.379 1.00 0.00 H new ATOM 0 HA LEU A 8 -5.234 -3.617 8.894 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -5.418 -1.349 10.535 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -4.434 -2.776 10.792 1.00 0.00 H new ATOM 0 HG LEU A 8 -3.087 -0.805 11.063 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.295 -1.229 9.440 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.976 -2.737 10.096 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.421 -2.198 8.459 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -2.697 0.778 9.219 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.905 -0.083 8.236 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -4.403 0.751 9.727 1.00 0.00 H new ATOM 121 N TYR A 9 -6.480 -0.712 7.912 1.00 0.00 N ATOM 122 CA TYR A 9 -7.720 -0.022 7.560 1.00 0.00 C ATOM 123 C TYR A 9 -8.003 -0.101 6.060 1.00 0.00 C ATOM 124 O TYR A 9 -7.092 -0.295 5.255 1.00 0.00 O ATOM 125 CB TYR A 9 -7.650 1.444 8.000 1.00 0.00 C ATOM 126 CG TYR A 9 -7.718 1.627 9.500 1.00 0.00 C ATOM 127 CD1 TYR A 9 -8.818 1.186 10.225 1.00 0.00 C ATOM 128 CD2 TYR A 9 -6.678 2.238 10.190 1.00 0.00 C ATOM 129 CE1 TYR A 9 -8.881 1.350 11.597 1.00 0.00 C ATOM 130 CE2 TYR A 9 -6.734 2.405 11.561 1.00 0.00 C ATOM 131 CZ TYR A 9 -7.836 1.960 12.259 1.00 0.00 C ATOM 132 OH TYR A 9 -7.892 2.125 13.625 1.00 0.00 O ATOM 0 H TYR A 9 -5.632 -0.180 7.719 1.00 0.00 H new ATOM 0 HA TYR A 9 -8.536 -0.521 8.082 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -6.723 1.882 7.630 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -8.470 1.994 7.537 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -9.637 0.707 9.709 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -5.813 2.588 9.647 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -9.743 1.002 12.147 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -5.918 2.882 12.083 1.00 0.00 H new ATOM 0 HH TYR A 9 -7.076 2.571 13.934 1.00 0.00 H new ATOM 142 N PRO A 10 -9.282 0.054 5.664 1.00 0.00 N ATOM 143 CA PRO A 10 -9.689 0.005 4.254 1.00 0.00 C ATOM 144 C PRO A 10 -8.993 1.074 3.420 1.00 0.00 C ATOM 145 O PRO A 10 -8.447 2.036 3.958 1.00 0.00 O ATOM 146 CB PRO A 10 -11.202 0.256 4.297 1.00 0.00 C ATOM 147 CG PRO A 10 -11.460 0.871 5.631 1.00 0.00 C ATOM 148 CD PRO A 10 -10.427 0.295 6.557 1.00 0.00 C ATOM 0 HA PRO A 10 -9.423 -0.944 3.788 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -11.514 0.920 3.491 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -11.759 -0.674 4.178 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -11.379 1.957 5.583 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -12.467 0.642 5.979 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -10.174 0.987 7.360 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -10.774 -0.626 7.027 1.00 0.00 H new ATOM 156 N PHE A 11 -9.002 0.894 2.102 1.00 0.00 N ATOM 157 CA PHE A 11 -8.354 1.841 1.200 1.00 0.00 C ATOM 158 C PHE A 11 -9.374 2.603 0.357 1.00 0.00 C ATOM 159 O PHE A 11 -10.307 2.018 -0.192 1.00 0.00 O ATOM 160 CB PHE A 11 -7.368 1.109 0.286 1.00 0.00 C ATOM 161 CG PHE A 11 -5.997 0.951 0.883 1.00 0.00 C ATOM 162 CD1 PHE A 11 -5.838 0.743 2.245 1.00 0.00 C ATOM 163 CD2 PHE A 11 -4.869 1.010 0.083 1.00 0.00 C ATOM 164 CE1 PHE A 11 -4.581 0.599 2.796 1.00 0.00 C ATOM 165 CE2 PHE A 11 -3.608 0.865 0.629 1.00 0.00 C ATOM 166 CZ PHE A 11 -3.465 0.660 1.989 1.00 0.00 C ATOM 0 H PHE A 11 -9.449 0.104 1.636 1.00 0.00 H new ATOM 0 HA PHE A 11 -7.815 2.564 1.812 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -7.768 0.123 0.050 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -7.285 1.653 -0.655 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -6.709 0.693 2.882 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -4.976 1.171 -0.980 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -4.472 0.439 3.858 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -2.735 0.912 -0.006 1.00 0.00 H new ATOM 0 HZ PHE A 11 -2.480 0.548 2.418 1.00 0.00 H new ATOM 176 N SER A 12 -9.174 3.914 0.255 1.00 0.00 N ATOM 177 CA SER A 12 -10.056 4.773 -0.527 1.00 0.00 C ATOM 178 C SER A 12 -9.241 5.634 -1.488 1.00 0.00 C ATOM 179 O SER A 12 -8.402 6.428 -1.064 1.00 0.00 O ATOM 180 CB SER A 12 -10.889 5.663 0.396 1.00 0.00 C ATOM 181 OG SER A 12 -12.119 5.040 0.731 1.00 0.00 O ATOM 0 H SER A 12 -8.404 4.406 0.707 1.00 0.00 H new ATOM 0 HA SER A 12 -10.730 4.141 -1.106 1.00 0.00 H new ATOM 0 HB2 SER A 12 -10.327 5.877 1.305 1.00 0.00 H new ATOM 0 HB3 SER A 12 -11.082 6.618 -0.092 1.00 0.00 H new ATOM 0 HG SER A 12 -12.633 5.628 1.323 1.00 0.00 H new ATOM 187 N SER A 13 -9.486 5.466 -2.782 1.00 0.00 N ATOM 188 CA SER A 13 -8.761 6.221 -3.798 1.00 0.00 C ATOM 189 C SER A 13 -9.617 7.347 -4.371 1.00 0.00 C ATOM 190 O SER A 13 -10.824 7.193 -4.555 1.00 0.00 O ATOM 191 CB SER A 13 -8.308 5.289 -4.920 1.00 0.00 C ATOM 192 OG SER A 13 -7.162 4.553 -4.533 1.00 0.00 O ATOM 0 H SER A 13 -10.179 4.816 -3.152 1.00 0.00 H new ATOM 0 HA SER A 13 -7.888 6.668 -3.324 1.00 0.00 H new ATOM 0 HB2 SER A 13 -9.116 4.604 -5.177 1.00 0.00 H new ATOM 0 HB3 SER A 13 -8.087 5.871 -5.815 1.00 0.00 H new ATOM 0 HG SER A 13 -7.392 3.603 -4.463 1.00 0.00 H new ATOM 198 N VAL A 14 -8.978 8.480 -4.650 1.00 0.00 N ATOM 199 CA VAL A 14 -9.672 9.634 -5.202 1.00 0.00 C ATOM 200 C VAL A 14 -8.875 10.266 -6.341 1.00 0.00 C ATOM 201 O VAL A 14 -9.428 10.600 -7.389 1.00 0.00 O ATOM 202 CB VAL A 14 -9.930 10.698 -4.120 1.00 0.00 C ATOM 203 CG1 VAL A 14 -10.873 10.158 -3.056 1.00 0.00 C ATOM 204 CG2 VAL A 14 -8.618 11.156 -3.502 1.00 0.00 C ATOM 0 H VAL A 14 -7.979 8.621 -4.502 1.00 0.00 H new ATOM 0 HA VAL A 14 -10.626 9.276 -5.588 1.00 0.00 H new ATOM 0 HB VAL A 14 -10.405 11.561 -4.587 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -11.044 10.923 -2.299 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -11.822 9.884 -3.516 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -10.429 9.279 -2.589 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -8.818 11.908 -2.739 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -8.113 10.304 -3.048 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -7.981 11.585 -4.276 1.00 0.00 H new ATOM 214 N THR A 15 -7.574 10.431 -6.126 1.00 0.00 N ATOM 215 CA THR A 15 -6.701 11.027 -7.131 1.00 0.00 C ATOM 216 C THR A 15 -6.567 10.116 -8.348 1.00 0.00 C ATOM 217 O THR A 15 -7.039 8.979 -8.340 1.00 0.00 O ATOM 218 CB THR A 15 -5.320 11.312 -6.538 1.00 0.00 C ATOM 219 OG1 THR A 15 -5.418 11.595 -5.153 1.00 0.00 O ATOM 220 CG2 THR A 15 -4.615 12.478 -7.195 1.00 0.00 C ATOM 0 H THR A 15 -7.101 10.160 -5.264 1.00 0.00 H new ATOM 0 HA THR A 15 -7.151 11.967 -7.451 1.00 0.00 H new ATOM 0 HB THR A 15 -4.737 10.408 -6.717 1.00 0.00 H new ATOM 0 HG1 THR A 15 -5.334 10.763 -4.642 1.00 0.00 H new ATOM 0 HG21 THR A 15 -3.642 12.625 -6.727 1.00 0.00 H new ATOM 0 HG22 THR A 15 -4.479 12.270 -8.256 1.00 0.00 H new ATOM 0 HG23 THR A 15 -5.215 13.380 -7.076 1.00 0.00 H new ATOM 228 N GLU A 16 -5.921 10.624 -9.393 1.00 0.00 N ATOM 229 CA GLU A 16 -5.726 9.855 -10.617 1.00 0.00 C ATOM 230 C GLU A 16 -4.647 8.792 -10.430 1.00 0.00 C ATOM 231 O GLU A 16 -4.759 7.683 -10.951 1.00 0.00 O ATOM 232 CB GLU A 16 -5.353 10.789 -11.770 1.00 0.00 C ATOM 233 CG GLU A 16 -6.350 10.764 -12.917 1.00 0.00 C ATOM 234 CD GLU A 16 -6.533 12.126 -13.559 1.00 0.00 C ATOM 235 OE1 GLU A 16 -5.632 12.977 -13.410 1.00 0.00 O ATOM 236 OE2 GLU A 16 -7.576 12.338 -14.211 1.00 0.00 O ATOM 0 H GLU A 16 -5.524 11.563 -9.417 1.00 0.00 H new ATOM 0 HA GLU A 16 -6.662 9.350 -10.855 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -5.273 11.808 -11.391 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.369 10.512 -12.148 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -6.013 10.053 -13.671 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -7.312 10.407 -12.550 1.00 0.00 H new ATOM 243 N GLU A 17 -3.604 9.137 -9.680 1.00 0.00 N ATOM 244 CA GLU A 17 -2.508 8.206 -9.423 1.00 0.00 C ATOM 245 C GLU A 17 -3.007 6.992 -8.649 1.00 0.00 C ATOM 246 O GLU A 17 -2.732 5.850 -9.017 1.00 0.00 O ATOM 247 CB GLU A 17 -1.384 8.893 -8.643 1.00 0.00 C ATOM 248 CG GLU A 17 -1.071 10.298 -9.129 1.00 0.00 C ATOM 249 CD GLU A 17 0.207 10.850 -8.528 1.00 0.00 C ATOM 250 OE1 GLU A 17 1.299 10.410 -8.945 1.00 0.00 O ATOM 251 OE2 GLU A 17 0.116 11.723 -7.639 1.00 0.00 O ATOM 0 H GLU A 17 -3.494 10.051 -9.241 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.115 7.875 -10.385 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.659 8.936 -7.589 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.482 8.285 -8.712 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.985 10.292 -10.216 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.901 10.959 -8.879 1.00 0.00 H new ATOM 258 N GLU A 18 -3.747 7.251 -7.575 1.00 0.00 N ATOM 259 CA GLU A 18 -4.296 6.187 -6.742 1.00 0.00 C ATOM 260 C GLU A 18 -5.114 5.202 -7.585 1.00 0.00 C ATOM 261 O GLU A 18 -5.138 5.292 -8.813 1.00 0.00 O ATOM 262 CB GLU A 18 -5.195 6.787 -5.658 1.00 0.00 C ATOM 263 CG GLU A 18 -4.523 6.925 -4.304 1.00 0.00 C ATOM 264 CD GLU A 18 -4.863 8.230 -3.613 1.00 0.00 C ATOM 265 OE1 GLU A 18 -4.525 9.299 -4.162 1.00 0.00 O ATOM 266 OE2 GLU A 18 -5.465 8.183 -2.519 1.00 0.00 O ATOM 0 H GLU A 18 -3.981 8.193 -7.261 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.465 5.653 -6.281 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -5.535 7.770 -5.985 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -6.082 6.163 -5.550 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -4.823 6.093 -3.667 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -3.443 6.856 -4.430 1.00 0.00 H new ATOM 273 N LEU A 19 -5.807 4.284 -6.912 1.00 0.00 N ATOM 274 CA LEU A 19 -6.659 3.298 -7.582 1.00 0.00 C ATOM 275 C LEU A 19 -7.342 2.406 -6.549 1.00 0.00 C ATOM 276 O LEU A 19 -6.892 2.309 -5.408 1.00 0.00 O ATOM 277 CB LEU A 19 -5.862 2.472 -8.610 1.00 0.00 C ATOM 278 CG LEU A 19 -5.108 1.246 -8.084 1.00 0.00 C ATOM 279 CD1 LEU A 19 -4.440 1.542 -6.771 1.00 0.00 C ATOM 280 CD2 LEU A 19 -6.026 0.036 -7.950 1.00 0.00 C ATOM 0 H LEU A 19 -5.795 4.201 -5.895 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.432 3.830 -8.137 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.552 2.138 -9.385 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.140 3.133 -9.090 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.338 1.005 -8.817 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.913 0.654 -6.422 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.729 2.358 -6.900 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.192 1.829 -6.036 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.456 -0.814 -7.574 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.833 0.267 -7.255 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.446 -0.212 -8.925 1.00 0.00 H new ATOM 292 N ASN A 20 -8.451 1.782 -6.936 1.00 0.00 N ATOM 293 CA ASN A 20 -9.205 0.936 -6.012 1.00 0.00 C ATOM 294 C ASN A 20 -8.927 -0.548 -6.225 1.00 0.00 C ATOM 295 O ASN A 20 -9.240 -1.110 -7.275 1.00 0.00 O ATOM 296 CB ASN A 20 -10.705 1.201 -6.153 1.00 0.00 C ATOM 297 CG ASN A 20 -11.151 1.241 -7.601 1.00 0.00 C ATOM 298 OD1 ASN A 20 -11.529 0.220 -8.176 1.00 0.00 O ATOM 299 ND2 ASN A 20 -11.108 2.426 -8.199 1.00 0.00 N ATOM 0 H ASN A 20 -8.846 1.844 -7.874 1.00 0.00 H new ATOM 0 HA ASN A 20 -8.876 1.194 -5.005 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -11.259 0.424 -5.626 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -10.950 2.149 -5.674 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -11.395 2.516 -9.174 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -10.788 3.246 -7.684 1.00 0.00 H new ATOM 306 N PHE A 21 -8.356 -1.175 -5.200 1.00 0.00 N ATOM 307 CA PHE A 21 -8.044 -2.598 -5.234 1.00 0.00 C ATOM 308 C PHE A 21 -8.504 -3.265 -3.940 1.00 0.00 C ATOM 309 O PHE A 21 -8.746 -2.586 -2.941 1.00 0.00 O ATOM 310 CB PHE A 21 -6.542 -2.811 -5.432 1.00 0.00 C ATOM 311 CG PHE A 21 -5.684 -1.914 -4.581 1.00 0.00 C ATOM 312 CD1 PHE A 21 -5.823 -1.897 -3.200 1.00 0.00 C ATOM 313 CD2 PHE A 21 -4.735 -1.090 -5.163 1.00 0.00 C ATOM 314 CE1 PHE A 21 -5.033 -1.074 -2.420 1.00 0.00 C ATOM 315 CE2 PHE A 21 -3.942 -0.266 -4.387 1.00 0.00 C ATOM 316 CZ PHE A 21 -4.092 -0.257 -3.014 1.00 0.00 C ATOM 0 H PHE A 21 -8.098 -0.713 -4.328 1.00 0.00 H new ATOM 0 HA PHE A 21 -8.572 -3.051 -6.073 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -6.299 -3.850 -5.208 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -6.296 -2.645 -6.481 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -6.557 -2.534 -2.730 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -4.613 -1.091 -6.236 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -5.152 -1.070 -1.347 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -3.205 0.371 -4.854 1.00 0.00 H new ATOM 0 HZ PHE A 21 -3.474 0.388 -2.406 1.00 0.00 H new ATOM 326 N GLU A 22 -8.619 -4.588 -3.953 1.00 0.00 N ATOM 327 CA GLU A 22 -9.043 -5.317 -2.763 1.00 0.00 C ATOM 328 C GLU A 22 -7.998 -5.171 -1.657 1.00 0.00 C ATOM 329 O GLU A 22 -6.906 -5.733 -1.734 1.00 0.00 O ATOM 330 CB GLU A 22 -9.296 -6.796 -3.093 1.00 0.00 C ATOM 331 CG GLU A 22 -8.036 -7.644 -3.165 1.00 0.00 C ATOM 332 CD GLU A 22 -8.304 -9.044 -3.684 1.00 0.00 C ATOM 333 OE1 GLU A 22 -9.179 -9.731 -3.116 1.00 0.00 O ATOM 334 OE2 GLU A 22 -7.638 -9.452 -4.659 1.00 0.00 O ATOM 0 H GLU A 22 -8.427 -5.173 -4.766 1.00 0.00 H new ATOM 0 HA GLU A 22 -9.981 -4.891 -2.407 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -9.960 -7.216 -2.338 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -9.818 -6.859 -4.048 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.309 -7.154 -3.812 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -7.588 -7.708 -2.173 1.00 0.00 H new ATOM 341 N LYS A 23 -8.334 -4.390 -0.639 1.00 0.00 N ATOM 342 CA LYS A 23 -7.421 -4.152 0.472 1.00 0.00 C ATOM 343 C LYS A 23 -7.317 -5.368 1.384 1.00 0.00 C ATOM 344 O LYS A 23 -8.308 -5.811 1.965 1.00 0.00 O ATOM 345 CB LYS A 23 -7.868 -2.926 1.276 1.00 0.00 C ATOM 346 CG LYS A 23 -7.107 -2.710 2.585 1.00 0.00 C ATOM 347 CD LYS A 23 -5.595 -2.927 2.460 1.00 0.00 C ATOM 348 CE LYS A 23 -5.018 -2.386 1.157 1.00 0.00 C ATOM 349 NZ LYS A 23 -4.118 -3.376 0.503 1.00 0.00 N ATOM 0 H LYS A 23 -9.231 -3.911 -0.559 1.00 0.00 H new ATOM 0 HA LYS A 23 -6.433 -3.964 0.052 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -7.753 -2.038 0.654 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -8.930 -3.023 1.500 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.292 -1.696 2.940 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -7.502 -3.389 3.341 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.094 -2.445 3.300 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -5.380 -3.993 2.530 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -5.831 -2.128 0.478 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -4.466 -1.468 1.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -3.150 -2.998 0.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -4.126 -4.263 1.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -4.449 -3.559 -0.466 1.00 0.00 H new ATOM 363 N GLY A 24 -6.104 -5.887 1.517 1.00 0.00 N ATOM 364 CA GLY A 24 -5.878 -7.028 2.376 1.00 0.00 C ATOM 365 C GLY A 24 -5.230 -6.624 3.684 1.00 0.00 C ATOM 366 O GLY A 24 -5.396 -5.495 4.144 1.00 0.00 O ATOM 0 H GLY A 24 -5.272 -5.536 1.043 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -6.827 -7.525 2.578 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -5.243 -7.750 1.863 1.00 0.00 H new ATOM 370 N GLU A 25 -4.488 -7.543 4.283 1.00 0.00 N ATOM 371 CA GLU A 25 -3.812 -7.287 5.530 1.00 0.00 C ATOM 372 C GLU A 25 -2.373 -6.846 5.298 1.00 0.00 C ATOM 373 O GLU A 25 -1.645 -6.565 6.249 1.00 0.00 O ATOM 374 CB GLU A 25 -3.840 -8.539 6.401 1.00 0.00 C ATOM 375 CG GLU A 25 -3.686 -8.226 7.868 1.00 0.00 C ATOM 376 CD GLU A 25 -4.594 -9.062 8.749 1.00 0.00 C ATOM 377 OE1 GLU A 25 -4.959 -10.182 8.334 1.00 0.00 O ATOM 378 OE2 GLU A 25 -4.941 -8.595 9.855 1.00 0.00 O ATOM 0 H GLU A 25 -4.342 -8.483 3.914 1.00 0.00 H new ATOM 0 HA GLU A 25 -4.335 -6.478 6.040 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -4.780 -9.067 6.242 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -3.040 -9.212 6.090 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -2.650 -8.391 8.163 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -3.900 -7.170 8.033 1.00 0.00 H new ATOM 385 N THR A 26 -1.961 -6.788 4.035 1.00 0.00 N ATOM 386 CA THR A 26 -0.598 -6.379 3.717 1.00 0.00 C ATOM 387 C THR A 26 -0.383 -6.129 2.231 1.00 0.00 C ATOM 388 O THR A 26 -0.962 -6.791 1.370 1.00 0.00 O ATOM 389 CB THR A 26 0.419 -7.404 4.228 1.00 0.00 C ATOM 390 OG1 THR A 26 1.412 -7.672 3.252 1.00 0.00 O ATOM 391 CG2 THR A 26 -0.189 -8.730 4.637 1.00 0.00 C ATOM 0 H THR A 26 -2.541 -7.015 3.227 1.00 0.00 H new ATOM 0 HA THR A 26 -0.442 -5.430 4.230 1.00 0.00 H new ATOM 0 HB THR A 26 0.849 -6.938 5.115 1.00 0.00 H new ATOM 0 HG1 THR A 26 1.987 -6.886 3.146 1.00 0.00 H new ATOM 0 HG21 THR A 26 0.598 -9.399 4.986 1.00 0.00 H new ATOM 0 HG22 THR A 26 -0.910 -8.568 5.438 1.00 0.00 H new ATOM 0 HG23 THR A 26 -0.693 -9.179 3.781 1.00 0.00 H new ATOM 399 N MET A 27 0.487 -5.164 1.962 1.00 0.00 N ATOM 400 CA MET A 27 0.856 -4.777 0.610 1.00 0.00 C ATOM 401 C MET A 27 2.358 -4.530 0.563 1.00 0.00 C ATOM 402 O MET A 27 2.992 -4.393 1.599 1.00 0.00 O ATOM 403 CB MET A 27 0.095 -3.521 0.160 1.00 0.00 C ATOM 404 CG MET A 27 -0.718 -2.857 1.262 1.00 0.00 C ATOM 405 SD MET A 27 -1.066 -1.120 0.922 1.00 0.00 S ATOM 406 CE MET A 27 -1.739 -1.212 -0.737 1.00 0.00 C ATOM 0 H MET A 27 0.960 -4.623 2.686 1.00 0.00 H new ATOM 0 HA MET A 27 0.589 -5.582 -0.074 1.00 0.00 H new ATOM 0 HB2 MET A 27 0.810 -2.799 -0.235 1.00 0.00 H new ATOM 0 HB3 MET A 27 -0.573 -3.788 -0.659 1.00 0.00 H new ATOM 0 HG2 MET A 27 -1.658 -3.394 1.387 1.00 0.00 H new ATOM 0 HG3 MET A 27 -0.177 -2.937 2.205 1.00 0.00 H new ATOM 0 HE1 MET A 27 -1.686 -0.230 -1.206 1.00 0.00 H new ATOM 0 HE2 MET A 27 -1.162 -1.926 -1.324 1.00 0.00 H new ATOM 0 HE3 MET A 27 -2.779 -1.536 -0.690 1.00 0.00 H new ATOM 416 N GLU A 28 2.924 -4.476 -0.630 1.00 0.00 N ATOM 417 CA GLU A 28 4.357 -4.241 -0.782 1.00 0.00 C ATOM 418 C GLU A 28 4.597 -2.907 -1.473 1.00 0.00 C ATOM 419 O GLU A 28 4.254 -2.733 -2.642 1.00 0.00 O ATOM 420 CB GLU A 28 4.995 -5.365 -1.589 1.00 0.00 C ATOM 421 CG GLU A 28 4.146 -5.843 -2.756 1.00 0.00 C ATOM 422 CD GLU A 28 3.338 -7.080 -2.419 1.00 0.00 C ATOM 423 OE1 GLU A 28 2.663 -7.082 -1.367 1.00 0.00 O ATOM 424 OE2 GLU A 28 3.379 -8.048 -3.206 1.00 0.00 O ATOM 0 H GLU A 28 2.418 -4.591 -1.508 1.00 0.00 H new ATOM 0 HA GLU A 28 4.813 -4.216 0.208 1.00 0.00 H new ATOM 0 HB2 GLU A 28 5.959 -5.025 -1.968 1.00 0.00 H new ATOM 0 HB3 GLU A 28 5.193 -6.208 -0.927 1.00 0.00 H new ATOM 0 HG2 GLU A 28 3.470 -5.044 -3.061 1.00 0.00 H new ATOM 0 HG3 GLU A 28 4.792 -6.056 -3.608 1.00 0.00 H new ATOM 431 N VAL A 29 5.174 -1.965 -0.738 1.00 0.00 N ATOM 432 CA VAL A 29 5.437 -0.635 -1.263 1.00 0.00 C ATOM 433 C VAL A 29 6.817 -0.553 -1.908 1.00 0.00 C ATOM 434 O VAL A 29 7.814 -1.002 -1.344 1.00 0.00 O ATOM 435 CB VAL A 29 5.292 0.431 -0.150 1.00 0.00 C ATOM 436 CG1 VAL A 29 5.885 1.766 -0.571 1.00 0.00 C ATOM 437 CG2 VAL A 29 3.829 0.595 0.228 1.00 0.00 C ATOM 0 H VAL A 29 5.470 -2.101 0.229 1.00 0.00 H new ATOM 0 HA VAL A 29 4.696 -0.432 -2.036 1.00 0.00 H new ATOM 0 HB VAL A 29 5.850 0.085 0.720 1.00 0.00 H new ATOM 0 HG11 VAL A 29 5.764 2.489 0.236 1.00 0.00 H new ATOM 0 HG12 VAL A 29 6.945 1.640 -0.790 1.00 0.00 H new ATOM 0 HG13 VAL A 29 5.371 2.128 -1.462 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.738 1.347 1.012 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.261 0.911 -0.647 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.438 -0.356 0.590 1.00 0.00 H new ATOM 447 N ILE A 30 6.848 0.022 -3.103 1.00 0.00 N ATOM 448 CA ILE A 30 8.087 0.171 -3.863 1.00 0.00 C ATOM 449 C ILE A 30 8.892 1.378 -3.388 1.00 0.00 C ATOM 450 O ILE A 30 9.831 1.240 -2.603 1.00 0.00 O ATOM 451 CB ILE A 30 7.826 0.305 -5.385 1.00 0.00 C ATOM 452 CG1 ILE A 30 6.424 0.873 -5.662 1.00 0.00 C ATOM 453 CG2 ILE A 30 8.006 -1.039 -6.074 1.00 0.00 C ATOM 454 CD1 ILE A 30 5.350 -0.187 -5.816 1.00 0.00 C ATOM 0 H ILE A 30 6.023 0.396 -3.572 1.00 0.00 H new ATOM 0 HA ILE A 30 8.661 -0.739 -3.686 1.00 0.00 H new ATOM 0 HB ILE A 30 8.555 1.006 -5.792 1.00 0.00 H new ATOM 0 HG12 ILE A 30 6.146 1.542 -4.847 1.00 0.00 H new ATOM 0 HG13 ILE A 30 6.460 1.475 -6.570 1.00 0.00 H new ATOM 0 HG21 ILE A 30 7.819 -0.928 -7.142 1.00 0.00 H new ATOM 0 HG22 ILE A 30 9.025 -1.394 -5.919 1.00 0.00 H new ATOM 0 HG23 ILE A 30 7.303 -1.759 -5.656 1.00 0.00 H new ATOM 0 HD11 ILE A 30 4.390 0.293 -6.009 1.00 0.00 H new ATOM 0 HD12 ILE A 30 5.602 -0.842 -6.650 1.00 0.00 H new ATOM 0 HD13 ILE A 30 5.284 -0.774 -4.900 1.00 0.00 H new ATOM 466 N GLU A 31 8.525 2.561 -3.873 1.00 0.00 N ATOM 467 CA GLU A 31 9.219 3.787 -3.503 1.00 0.00 C ATOM 468 C GLU A 31 8.861 4.215 -2.085 1.00 0.00 C ATOM 469 O GLU A 31 7.686 4.322 -1.734 1.00 0.00 O ATOM 470 CB GLU A 31 8.876 4.908 -4.486 1.00 0.00 C ATOM 471 CG GLU A 31 10.002 5.909 -4.686 1.00 0.00 C ATOM 472 CD GLU A 31 9.880 7.113 -3.772 1.00 0.00 C ATOM 473 OE1 GLU A 31 8.749 7.614 -3.599 1.00 0.00 O ATOM 474 OE2 GLU A 31 10.915 7.554 -3.230 1.00 0.00 O ATOM 0 H GLU A 31 7.751 2.695 -4.523 1.00 0.00 H new ATOM 0 HA GLU A 31 10.290 3.590 -3.542 1.00 0.00 H new ATOM 0 HB2 GLU A 31 8.617 4.468 -5.449 1.00 0.00 H new ATOM 0 HB3 GLU A 31 7.992 5.435 -4.128 1.00 0.00 H new ATOM 0 HG2 GLU A 31 10.958 5.416 -4.506 1.00 0.00 H new ATOM 0 HG3 GLU A 31 10.006 6.244 -5.723 1.00 0.00 H new ATOM 481 N LYS A 32 9.884 4.462 -1.274 1.00 0.00 N ATOM 482 CA LYS A 32 9.681 4.881 0.105 1.00 0.00 C ATOM 483 C LYS A 32 9.974 6.373 0.264 1.00 0.00 C ATOM 484 O LYS A 32 11.101 6.815 0.040 1.00 0.00 O ATOM 485 CB LYS A 32 10.574 4.062 1.043 1.00 0.00 C ATOM 486 CG LYS A 32 9.800 3.120 1.952 1.00 0.00 C ATOM 487 CD LYS A 32 8.762 2.316 1.179 1.00 0.00 C ATOM 488 CE LYS A 32 8.243 1.144 1.996 1.00 0.00 C ATOM 489 NZ LYS A 32 8.869 -0.143 1.586 1.00 0.00 N ATOM 0 H LYS A 32 10.863 4.379 -1.550 1.00 0.00 H new ATOM 0 HA LYS A 32 8.638 4.706 0.369 1.00 0.00 H new ATOM 0 HB2 LYS A 32 11.277 3.481 0.446 1.00 0.00 H new ATOM 0 HB3 LYS A 32 11.163 4.743 1.657 1.00 0.00 H new ATOM 0 HG2 LYS A 32 10.494 2.439 2.446 1.00 0.00 H new ATOM 0 HG3 LYS A 32 9.306 3.695 2.735 1.00 0.00 H new ATOM 0 HD2 LYS A 32 7.931 2.964 0.902 1.00 0.00 H new ATOM 0 HD3 LYS A 32 9.202 1.948 0.252 1.00 0.00 H new ATOM 0 HE2 LYS A 32 8.441 1.323 3.053 1.00 0.00 H new ATOM 0 HE3 LYS A 32 7.161 1.073 1.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 8.633 -0.880 2.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 8.510 -0.421 0.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 9.902 -0.028 1.540 1.00 0.00 H new ATOM 503 N PRO A 33 8.961 7.175 0.644 1.00 0.00 N ATOM 504 CA PRO A 33 9.120 8.623 0.820 1.00 0.00 C ATOM 505 C PRO A 33 10.037 8.971 1.993 1.00 0.00 C ATOM 506 O PRO A 33 9.612 9.604 2.960 1.00 0.00 O ATOM 507 CB PRO A 33 7.691 9.123 1.091 1.00 0.00 C ATOM 508 CG PRO A 33 6.793 7.997 0.700 1.00 0.00 C ATOM 509 CD PRO A 33 7.583 6.743 0.923 1.00 0.00 C ATOM 0 HA PRO A 33 9.584 9.083 -0.053 1.00 0.00 H new ATOM 0 HB2 PRO A 33 7.559 9.384 2.141 1.00 0.00 H new ATOM 0 HB3 PRO A 33 7.472 10.019 0.510 1.00 0.00 H new ATOM 0 HG2 PRO A 33 5.883 7.997 1.300 1.00 0.00 H new ATOM 0 HG3 PRO A 33 6.487 8.086 -0.342 1.00 0.00 H new ATOM 0 HD2 PRO A 33 7.474 6.371 1.942 1.00 0.00 H new ATOM 0 HD3 PRO A 33 7.267 5.941 0.256 1.00 0.00 H new ATOM 517 N GLU A 34 11.295 8.554 1.900 1.00 0.00 N ATOM 518 CA GLU A 34 12.268 8.822 2.951 1.00 0.00 C ATOM 519 C GLU A 34 12.965 10.160 2.723 1.00 0.00 C ATOM 520 O GLU A 34 13.008 11.009 3.615 1.00 0.00 O ATOM 521 CB GLU A 34 13.301 7.695 3.013 1.00 0.00 C ATOM 522 CG GLU A 34 13.320 6.965 4.345 1.00 0.00 C ATOM 523 CD GLU A 34 14.457 5.967 4.447 1.00 0.00 C ATOM 524 OE1 GLU A 34 14.433 4.962 3.707 1.00 0.00 O ATOM 525 OE2 GLU A 34 15.370 6.190 5.269 1.00 0.00 O ATOM 0 H GLU A 34 11.664 8.029 1.107 1.00 0.00 H new ATOM 0 HA GLU A 34 11.737 8.872 3.901 1.00 0.00 H new ATOM 0 HB2 GLU A 34 13.094 6.979 2.218 1.00 0.00 H new ATOM 0 HB3 GLU A 34 14.291 8.109 2.820 1.00 0.00 H new ATOM 0 HG2 GLU A 34 13.406 7.692 5.152 1.00 0.00 H new ATOM 0 HG3 GLU A 34 12.372 6.445 4.484 1.00 0.00 H new ATOM 532 N ASN A 35 13.510 10.342 1.524 1.00 0.00 N ATOM 533 CA ASN A 35 14.206 11.577 1.179 1.00 0.00 C ATOM 534 C ASN A 35 13.223 12.632 0.683 1.00 0.00 C ATOM 535 O ASN A 35 13.296 13.796 1.076 1.00 0.00 O ATOM 536 CB ASN A 35 15.270 11.308 0.114 1.00 0.00 C ATOM 537 CG ASN A 35 16.346 12.376 0.091 1.00 0.00 C ATOM 538 OD1 ASN A 35 17.168 12.466 1.002 1.00 0.00 O ATOM 539 ND2 ASN A 35 16.345 13.193 -0.957 1.00 0.00 N ATOM 0 H ASN A 35 13.483 9.650 0.775 1.00 0.00 H new ATOM 0 HA ASN A 35 14.693 11.955 2.078 1.00 0.00 H new ATOM 0 HB2 ASN A 35 15.729 10.337 0.300 1.00 0.00 H new ATOM 0 HB3 ASN A 35 14.795 11.254 -0.865 1.00 0.00 H new ATOM 0 HD21 ASN A 35 17.045 13.931 -1.029 1.00 0.00 H new ATOM 0 HD22 ASN A 35 15.644 13.082 -1.690 1.00 0.00 H new ATOM 546 N ASP A 36 12.304 12.215 -0.182 1.00 0.00 N ATOM 547 CA ASP A 36 11.304 13.124 -0.729 1.00 0.00 C ATOM 548 C ASP A 36 9.922 12.819 -0.151 1.00 0.00 C ATOM 549 O ASP A 36 9.258 11.875 -0.580 1.00 0.00 O ATOM 550 CB ASP A 36 11.267 13.014 -2.255 1.00 0.00 C ATOM 551 CG ASP A 36 12.515 13.580 -2.904 1.00 0.00 C ATOM 552 OD1 ASP A 36 13.488 12.818 -3.084 1.00 0.00 O ATOM 553 OD2 ASP A 36 12.519 14.785 -3.234 1.00 0.00 O ATOM 0 H ASP A 36 12.231 11.255 -0.519 1.00 0.00 H new ATOM 0 HA ASP A 36 11.579 14.142 -0.452 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.155 11.968 -2.539 1.00 0.00 H new ATOM 0 HB3 ASP A 36 10.392 13.542 -2.634 1.00 0.00 H new ATOM 558 N PRO A 37 9.469 13.612 0.837 1.00 0.00 N ATOM 559 CA PRO A 37 8.161 13.417 1.474 1.00 0.00 C ATOM 560 C PRO A 37 7.004 13.665 0.513 1.00 0.00 C ATOM 561 O PRO A 37 6.760 14.800 0.101 1.00 0.00 O ATOM 562 CB PRO A 37 8.142 14.456 2.606 1.00 0.00 C ATOM 563 CG PRO A 37 9.558 14.894 2.769 1.00 0.00 C ATOM 564 CD PRO A 37 10.191 14.755 1.416 1.00 0.00 C ATOM 0 HA PRO A 37 8.035 12.391 1.820 1.00 0.00 H new ATOM 0 HB2 PRO A 37 7.497 15.298 2.355 1.00 0.00 H new ATOM 0 HB3 PRO A 37 7.756 14.023 3.529 1.00 0.00 H new ATOM 0 HG2 PRO A 37 9.610 15.925 3.120 1.00 0.00 H new ATOM 0 HG3 PRO A 37 10.074 14.280 3.507 1.00 0.00 H new ATOM 0 HD2 PRO A 37 10.068 15.657 0.817 1.00 0.00 H new ATOM 0 HD3 PRO A 37 11.262 14.563 1.488 1.00 0.00 H new ATOM 572 N GLU A 38 6.291 12.601 0.159 1.00 0.00 N ATOM 573 CA GLU A 38 5.161 12.713 -0.751 1.00 0.00 C ATOM 574 C GLU A 38 4.143 11.597 -0.493 1.00 0.00 C ATOM 575 O GLU A 38 3.330 11.697 0.426 1.00 0.00 O ATOM 576 CB GLU A 38 5.655 12.691 -2.204 1.00 0.00 C ATOM 577 CG GLU A 38 4.538 12.717 -3.236 1.00 0.00 C ATOM 578 CD GLU A 38 5.042 13.038 -4.631 1.00 0.00 C ATOM 579 OE1 GLU A 38 5.391 14.211 -4.882 1.00 0.00 O ATOM 580 OE2 GLU A 38 5.086 12.116 -5.472 1.00 0.00 O ATOM 0 H GLU A 38 6.476 11.654 0.489 1.00 0.00 H new ATOM 0 HA GLU A 38 4.658 13.663 -0.574 1.00 0.00 H new ATOM 0 HB2 GLU A 38 6.308 13.548 -2.368 1.00 0.00 H new ATOM 0 HB3 GLU A 38 6.258 11.796 -2.359 1.00 0.00 H new ATOM 0 HG2 GLU A 38 4.037 11.749 -3.248 1.00 0.00 H new ATOM 0 HG3 GLU A 38 3.794 13.458 -2.943 1.00 0.00 H new ATOM 587 N TRP A 39 4.192 10.535 -1.296 1.00 0.00 N ATOM 588 CA TRP A 39 3.273 9.410 -1.142 1.00 0.00 C ATOM 589 C TRP A 39 3.922 8.123 -1.638 1.00 0.00 C ATOM 590 O TRP A 39 4.885 8.166 -2.405 1.00 0.00 O ATOM 591 CB TRP A 39 1.979 9.654 -1.931 1.00 0.00 C ATOM 592 CG TRP A 39 1.563 11.094 -2.001 1.00 0.00 C ATOM 593 CD1 TRP A 39 1.085 11.863 -0.980 1.00 0.00 C ATOM 594 CD2 TRP A 39 1.577 11.932 -3.163 1.00 0.00 C ATOM 595 NE1 TRP A 39 0.813 13.132 -1.433 1.00 0.00 N ATOM 596 CE2 TRP A 39 1.105 13.198 -2.770 1.00 0.00 C ATOM 597 CE3 TRP A 39 1.948 11.735 -4.497 1.00 0.00 C ATOM 598 CZ2 TRP A 39 0.993 14.261 -3.663 1.00 0.00 C ATOM 599 CZ3 TRP A 39 1.836 12.791 -5.382 1.00 0.00 C ATOM 600 CH2 TRP A 39 1.363 14.040 -4.962 1.00 0.00 C ATOM 0 H TRP A 39 4.859 10.431 -2.060 1.00 0.00 H new ATOM 0 HA TRP A 39 3.035 9.315 -0.082 1.00 0.00 H new ATOM 0 HB2 TRP A 39 2.108 9.275 -2.945 1.00 0.00 H new ATOM 0 HB3 TRP A 39 1.175 9.077 -1.475 1.00 0.00 H new ATOM 0 HD1 TRP A 39 0.941 11.524 0.035 1.00 0.00 H new ATOM 0 HE1 TRP A 39 0.452 13.900 -0.866 1.00 0.00 H new ATOM 0 HE3 TRP A 39 2.315 10.775 -4.830 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 0.627 15.225 -3.342 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 2.118 12.650 -6.415 1.00 0.00 H new ATOM 0 HH2 TRP A 39 1.289 14.845 -5.678 1.00 0.00 H new ATOM 611 N TRP A 40 3.386 6.975 -1.226 1.00 0.00 N ATOM 612 CA TRP A 40 3.924 5.699 -1.673 1.00 0.00 C ATOM 613 C TRP A 40 2.872 4.901 -2.442 1.00 0.00 C ATOM 614 O TRP A 40 1.676 5.165 -2.331 1.00 0.00 O ATOM 615 CB TRP A 40 4.521 4.895 -0.504 1.00 0.00 C ATOM 616 CG TRP A 40 3.552 4.403 0.543 1.00 0.00 C ATOM 617 CD1 TRP A 40 2.219 4.147 0.405 1.00 0.00 C ATOM 618 CD2 TRP A 40 3.876 4.085 1.902 1.00 0.00 C ATOM 619 NE1 TRP A 40 1.698 3.687 1.593 1.00 0.00 N ATOM 620 CE2 TRP A 40 2.698 3.641 2.524 1.00 0.00 C ATOM 621 CE3 TRP A 40 5.053 4.134 2.651 1.00 0.00 C ATOM 622 CZ2 TRP A 40 2.666 3.244 3.857 1.00 0.00 C ATOM 623 CZ3 TRP A 40 5.020 3.744 3.975 1.00 0.00 C ATOM 624 CH2 TRP A 40 3.831 3.302 4.566 1.00 0.00 C ATOM 0 H TRP A 40 2.590 6.906 -0.592 1.00 0.00 H new ATOM 0 HA TRP A 40 4.744 5.904 -2.362 1.00 0.00 H new ATOM 0 HB2 TRP A 40 5.044 4.032 -0.916 1.00 0.00 H new ATOM 0 HB3 TRP A 40 5.269 5.516 -0.011 1.00 0.00 H new ATOM 0 HD1 TRP A 40 1.654 4.285 -0.505 1.00 0.00 H new ATOM 0 HE1 TRP A 40 0.726 3.424 1.753 1.00 0.00 H new ATOM 0 HE3 TRP A 40 5.975 4.472 2.202 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 1.750 2.901 4.315 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 5.925 3.781 4.563 1.00 0.00 H new ATOM 0 HH2 TRP A 40 3.835 3.001 5.603 1.00 0.00 H new ATOM 635 N LYS A 41 3.331 3.948 -3.248 1.00 0.00 N ATOM 636 CA LYS A 41 2.441 3.129 -4.068 1.00 0.00 C ATOM 637 C LYS A 41 2.855 1.666 -4.044 1.00 0.00 C ATOM 638 O LYS A 41 4.041 1.346 -4.083 1.00 0.00 O ATOM 639 CB LYS A 41 2.352 3.643 -5.504 1.00 0.00 C ATOM 640 CG LYS A 41 3.683 4.024 -6.112 1.00 0.00 C ATOM 641 CD LYS A 41 4.435 2.808 -6.619 1.00 0.00 C ATOM 642 CE LYS A 41 4.065 2.425 -8.050 1.00 0.00 C ATOM 643 NZ LYS A 41 2.989 3.284 -8.628 1.00 0.00 N ATOM 0 H LYS A 41 4.320 3.722 -3.352 1.00 0.00 H new ATOM 0 HA LYS A 41 1.446 3.208 -3.629 1.00 0.00 H new ATOM 0 HB2 LYS A 41 1.889 2.876 -6.124 1.00 0.00 H new ATOM 0 HB3 LYS A 41 1.694 4.511 -5.527 1.00 0.00 H new ATOM 0 HG2 LYS A 41 3.522 4.721 -6.934 1.00 0.00 H new ATOM 0 HG3 LYS A 41 4.288 4.543 -5.368 1.00 0.00 H new ATOM 0 HD2 LYS A 41 5.506 3.004 -6.568 1.00 0.00 H new ATOM 0 HD3 LYS A 41 4.233 1.963 -5.960 1.00 0.00 H new ATOM 0 HE2 LYS A 41 4.953 2.493 -8.679 1.00 0.00 H new ATOM 0 HE3 LYS A 41 3.740 1.385 -8.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 2.664 2.875 -9.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 2.191 3.336 -7.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 3.361 4.240 -8.797 1.00 0.00 H new ATOM 657 N CYS A 42 1.869 0.783 -3.954 1.00 0.00 N ATOM 658 CA CYS A 42 2.125 -0.647 -3.913 1.00 0.00 C ATOM 659 C CYS A 42 1.187 -1.370 -4.869 1.00 0.00 C ATOM 660 O CYS A 42 0.158 -0.824 -5.264 1.00 0.00 O ATOM 661 CB CYS A 42 1.955 -1.199 -2.489 1.00 0.00 C ATOM 662 SG CYS A 42 1.151 -0.071 -1.327 1.00 0.00 S ATOM 0 H CYS A 42 0.882 1.035 -3.908 1.00 0.00 H new ATOM 0 HA CYS A 42 3.156 -0.818 -4.222 1.00 0.00 H new ATOM 0 HB2 CYS A 42 1.375 -2.120 -2.539 1.00 0.00 H new ATOM 0 HB3 CYS A 42 2.938 -1.462 -2.097 1.00 0.00 H new ATOM 0 HG CYS A 42 0.608 -0.755 -0.364 1.00 0.00 H new ATOM 668 N LYS A 43 1.551 -2.588 -5.255 1.00 0.00 N ATOM 669 CA LYS A 43 0.745 -3.361 -6.197 1.00 0.00 C ATOM 670 C LYS A 43 -0.261 -4.255 -5.495 1.00 0.00 C ATOM 671 O LYS A 43 0.006 -4.821 -4.435 1.00 0.00 O ATOM 672 CB LYS A 43 1.647 -4.208 -7.095 1.00 0.00 C ATOM 673 CG LYS A 43 0.884 -5.038 -8.119 1.00 0.00 C ATOM 674 CD LYS A 43 1.106 -6.528 -7.910 1.00 0.00 C ATOM 675 CE LYS A 43 1.265 -7.259 -9.232 1.00 0.00 C ATOM 676 NZ LYS A 43 2.579 -6.972 -9.870 1.00 0.00 N ATOM 0 H LYS A 43 2.395 -3.061 -4.933 1.00 0.00 H new ATOM 0 HA LYS A 43 0.187 -2.646 -6.802 1.00 0.00 H new ATOM 0 HB2 LYS A 43 2.343 -3.552 -7.618 1.00 0.00 H new ATOM 0 HB3 LYS A 43 2.243 -4.874 -6.472 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.181 -4.815 -8.049 1.00 0.00 H new ATOM 0 HG3 LYS A 43 1.202 -4.760 -9.124 1.00 0.00 H new ATOM 0 HD2 LYS A 43 1.995 -6.682 -7.299 1.00 0.00 H new ATOM 0 HD3 LYS A 43 0.264 -6.948 -7.360 1.00 0.00 H new ATOM 0 HE2 LYS A 43 1.168 -8.332 -9.067 1.00 0.00 H new ATOM 0 HE3 LYS A 43 0.462 -6.966 -9.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 2.751 -7.657 -10.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 2.571 -6.009 -10.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 3.334 -7.049 -9.159 1.00 0.00 H new ATOM 690 N ASN A 44 -1.429 -4.366 -6.120 1.00 0.00 N ATOM 691 CA ASN A 44 -2.519 -5.177 -5.605 1.00 0.00 C ATOM 692 C ASN A 44 -2.835 -6.295 -6.574 1.00 0.00 C ATOM 693 O ASN A 44 -2.277 -6.358 -7.669 1.00 0.00 O ATOM 694 CB ASN A 44 -3.765 -4.317 -5.370 1.00 0.00 C ATOM 695 CG ASN A 44 -4.228 -4.373 -3.930 1.00 0.00 C ATOM 696 OD1 ASN A 44 -3.535 -3.646 -3.061 1.00 0.00 O flip ATOM 697 ND2 ASN A 44 -5.195 -5.060 -3.601 1.00 0.00 N flip ATOM 0 H ASN A 44 -1.643 -3.894 -6.999 1.00 0.00 H new ATOM 0 HA ASN A 44 -2.211 -5.608 -4.652 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -3.549 -3.284 -5.642 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -4.569 -4.657 -6.023 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -5.698 -5.603 -4.303 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -5.494 -5.087 -2.626 1.00 0.00 H new ATOM 704 N ALA A 45 -3.737 -7.171 -6.174 1.00 0.00 N ATOM 705 CA ALA A 45 -4.124 -8.277 -7.025 1.00 0.00 C ATOM 706 C ALA A 45 -4.905 -7.781 -8.242 1.00 0.00 C ATOM 707 O ALA A 45 -5.236 -8.554 -9.140 1.00 0.00 O ATOM 708 CB ALA A 45 -4.932 -9.291 -6.235 1.00 0.00 C ATOM 0 H ALA A 45 -4.212 -7.138 -5.272 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.220 -8.767 -7.388 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -5.216 -10.117 -6.887 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -4.331 -9.671 -5.409 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -5.830 -8.814 -5.841 1.00 0.00 H new ATOM 714 N ARG A 46 -5.184 -6.479 -8.264 1.00 0.00 N ATOM 715 CA ARG A 46 -5.908 -5.858 -9.362 1.00 0.00 C ATOM 716 C ARG A 46 -4.961 -5.519 -10.510 1.00 0.00 C ATOM 717 O ARG A 46 -5.395 -5.081 -11.575 1.00 0.00 O ATOM 718 CB ARG A 46 -6.570 -4.571 -8.873 1.00 0.00 C ATOM 719 CG ARG A 46 -7.955 -4.749 -8.270 1.00 0.00 C ATOM 720 CD ARG A 46 -8.081 -6.014 -7.433 1.00 0.00 C ATOM 721 NE ARG A 46 -9.431 -6.568 -7.492 1.00 0.00 N ATOM 722 CZ ARG A 46 -9.723 -7.844 -7.254 1.00 0.00 C ATOM 723 NH1 ARG A 46 -8.767 -8.702 -6.916 1.00 0.00 N ATOM 724 NH2 ARG A 46 -10.976 -8.265 -7.352 1.00 0.00 N ATOM 0 H ARG A 46 -4.915 -5.831 -7.524 1.00 0.00 H new ATOM 0 HA ARG A 46 -6.662 -6.560 -9.718 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -5.923 -4.108 -8.128 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -6.641 -3.876 -9.710 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -8.189 -3.884 -7.649 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -8.694 -4.775 -9.071 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -7.367 -6.757 -7.787 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -7.823 -5.792 -6.397 1.00 0.00 H new ATOM 0 HE ARG A 46 -10.197 -5.938 -7.730 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -7.801 -8.384 -6.837 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -8.999 -9.679 -6.735 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -11.715 -7.611 -7.610 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -11.201 -9.243 -7.170 1.00 0.00 H new ATOM 738 N GLY A 47 -3.662 -5.693 -10.275 1.00 0.00 N ATOM 739 CA GLY A 47 -2.682 -5.365 -11.288 1.00 0.00 C ATOM 740 C GLY A 47 -2.423 -3.870 -11.346 1.00 0.00 C ATOM 741 O GLY A 47 -1.662 -3.395 -12.189 1.00 0.00 O ATOM 0 H GLY A 47 -3.275 -6.054 -9.403 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.750 -5.889 -11.078 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -3.031 -5.713 -12.260 1.00 0.00 H new ATOM 745 N GLN A 48 -3.064 -3.129 -10.441 1.00 0.00 N ATOM 746 CA GLN A 48 -2.911 -1.684 -10.374 1.00 0.00 C ATOM 747 C GLN A 48 -2.320 -1.254 -9.050 1.00 0.00 C ATOM 748 O GLN A 48 -2.965 -1.381 -8.008 1.00 0.00 O ATOM 749 CB GLN A 48 -4.263 -0.979 -10.521 1.00 0.00 C ATOM 750 CG GLN A 48 -4.386 -0.094 -11.752 1.00 0.00 C ATOM 751 CD GLN A 48 -3.700 -0.667 -12.978 1.00 0.00 C ATOM 752 OE1 GLN A 48 -4.185 -1.621 -13.587 1.00 0.00 O ATOM 753 NE2 GLN A 48 -2.563 -0.088 -13.344 1.00 0.00 N ATOM 0 H GLN A 48 -3.698 -3.514 -9.741 1.00 0.00 H new ATOM 0 HA GLN A 48 -2.246 -1.407 -11.192 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -5.049 -1.733 -10.552 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -4.439 -0.371 -9.634 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -5.442 0.061 -11.975 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -3.960 0.885 -11.531 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -2.197 0.700 -12.810 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -2.055 -0.431 -14.159 1.00 0.00 H new ATOM 762 N VAL A 49 -1.133 -0.683 -9.088 1.00 0.00 N ATOM 763 CA VAL A 49 -0.538 -0.174 -7.873 1.00 0.00 C ATOM 764 C VAL A 49 -0.756 1.319 -7.841 1.00 0.00 C ATOM 765 O VAL A 49 -0.404 2.029 -8.783 1.00 0.00 O ATOM 766 CB VAL A 49 0.970 -0.474 -7.745 1.00 0.00 C ATOM 767 CG1 VAL A 49 1.595 -0.721 -9.090 1.00 0.00 C ATOM 768 CG2 VAL A 49 1.680 0.653 -7.011 1.00 0.00 C ATOM 0 H VAL A 49 -0.572 -0.562 -9.931 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.018 -0.678 -7.034 1.00 0.00 H new ATOM 0 HB VAL A 49 1.082 -1.386 -7.159 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.658 -0.929 -8.965 1.00 0.00 H new ATOM 0 HG12 VAL A 49 1.111 -1.575 -9.565 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.470 0.162 -9.717 1.00 0.00 H new ATOM 0 HG21 VAL A 49 2.742 0.423 -6.931 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.551 1.584 -7.563 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.256 0.761 -6.013 1.00 0.00 H new ATOM 778 N GLY A 50 -1.342 1.792 -6.766 1.00 0.00 N ATOM 779 CA GLY A 50 -1.599 3.196 -6.651 1.00 0.00 C ATOM 780 C GLY A 50 -1.078 3.772 -5.372 1.00 0.00 C ATOM 781 O GLY A 50 -0.474 3.076 -4.557 1.00 0.00 O ATOM 0 H GLY A 50 -1.644 1.228 -5.971 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -1.141 3.716 -7.493 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -2.673 3.372 -6.714 1.00 0.00 H new ATOM 785 N LEU A 51 -1.309 5.051 -5.210 1.00 0.00 N ATOM 786 CA LEU A 51 -0.857 5.762 -4.037 1.00 0.00 C ATOM 787 C LEU A 51 -1.701 5.405 -2.818 1.00 0.00 C ATOM 788 O LEU A 51 -2.926 5.332 -2.893 1.00 0.00 O ATOM 789 CB LEU A 51 -0.896 7.260 -4.318 1.00 0.00 C ATOM 790 CG LEU A 51 0.396 7.848 -4.903 1.00 0.00 C ATOM 791 CD1 LEU A 51 1.212 6.796 -5.642 1.00 0.00 C ATOM 792 CD2 LEU A 51 0.080 9.010 -5.828 1.00 0.00 C ATOM 0 H LEU A 51 -1.813 5.628 -5.883 1.00 0.00 H new ATOM 0 HA LEU A 51 0.168 5.468 -3.810 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.714 7.463 -5.009 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.126 7.782 -3.389 1.00 0.00 H new ATOM 0 HG LEU A 51 0.997 8.209 -4.068 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.118 7.252 -6.041 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.482 5.995 -4.954 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.621 6.387 -6.461 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.007 9.415 -6.234 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.553 8.663 -6.645 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.442 9.788 -5.270 1.00 0.00 H new ATOM 804 N VAL A 52 -1.029 5.167 -1.702 1.00 0.00 N ATOM 805 CA VAL A 52 -1.704 4.800 -0.461 1.00 0.00 C ATOM 806 C VAL A 52 -1.179 5.613 0.714 1.00 0.00 C ATOM 807 O VAL A 52 0.022 5.858 0.830 1.00 0.00 O ATOM 808 CB VAL A 52 -1.543 3.287 -0.138 1.00 0.00 C ATOM 809 CG1 VAL A 52 -0.208 2.762 -0.633 1.00 0.00 C ATOM 810 CG2 VAL A 52 -1.689 3.007 1.357 1.00 0.00 C ATOM 0 H VAL A 52 -0.013 5.221 -1.628 1.00 0.00 H new ATOM 0 HA VAL A 52 -2.762 5.017 -0.611 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.344 2.765 -0.661 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -0.123 1.702 -0.394 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -0.142 2.897 -1.713 1.00 0.00 H new ATOM 0 HG13 VAL A 52 0.601 3.310 -0.149 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -1.570 1.939 1.541 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -0.925 3.557 1.906 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.676 3.325 1.692 1.00 0.00 H new ATOM 820 N PRO A 53 -2.079 6.020 1.619 1.00 0.00 N ATOM 821 CA PRO A 53 -1.717 6.783 2.813 1.00 0.00 C ATOM 822 C PRO A 53 -1.167 5.876 3.907 1.00 0.00 C ATOM 823 O PRO A 53 -1.884 5.035 4.450 1.00 0.00 O ATOM 824 CB PRO A 53 -3.058 7.358 3.243 1.00 0.00 C ATOM 825 CG PRO A 53 -3.996 6.258 2.910 1.00 0.00 C ATOM 826 CD PRO A 53 -3.534 5.756 1.573 1.00 0.00 C ATOM 0 HA PRO A 53 -0.943 7.528 2.627 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -3.075 7.599 4.306 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -3.299 8.275 2.705 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -3.964 5.469 3.662 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -5.025 6.615 2.865 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -3.750 4.696 1.440 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -4.017 6.285 0.752 1.00 0.00 H new ATOM 834 N LYS A 54 0.102 6.054 4.231 1.00 0.00 N ATOM 835 CA LYS A 54 0.751 5.258 5.266 1.00 0.00 C ATOM 836 C LYS A 54 0.037 5.384 6.607 1.00 0.00 C ATOM 837 O LYS A 54 0.287 4.612 7.532 1.00 0.00 O ATOM 838 CB LYS A 54 2.173 5.731 5.436 1.00 0.00 C ATOM 839 CG LYS A 54 2.226 7.185 5.829 1.00 0.00 C ATOM 840 CD LYS A 54 2.672 7.358 7.271 1.00 0.00 C ATOM 841 CE LYS A 54 2.445 8.779 7.762 1.00 0.00 C ATOM 842 NZ LYS A 54 3.713 9.424 8.201 1.00 0.00 N ATOM 0 H LYS A 54 0.709 6.746 3.791 1.00 0.00 H new ATOM 0 HA LYS A 54 0.718 4.214 4.953 1.00 0.00 H new ATOM 0 HB2 LYS A 54 2.670 5.129 6.197 1.00 0.00 H new ATOM 0 HB3 LYS A 54 2.721 5.584 4.505 1.00 0.00 H new ATOM 0 HG2 LYS A 54 2.912 7.716 5.169 1.00 0.00 H new ATOM 0 HG3 LYS A 54 1.242 7.635 5.695 1.00 0.00 H new ATOM 0 HD2 LYS A 54 2.126 6.661 7.907 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.729 7.107 7.358 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.994 9.371 6.965 1.00 0.00 H new ATOM 0 HE3 LYS A 54 1.737 8.768 8.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.515 10.391 8.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 4.131 8.874 8.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 4.379 9.458 7.403 1.00 0.00 H new ATOM 856 N ASN A 55 -0.835 6.374 6.706 1.00 0.00 N ATOM 857 CA ASN A 55 -1.573 6.627 7.939 1.00 0.00 C ATOM 858 C ASN A 55 -2.664 5.593 8.154 1.00 0.00 C ATOM 859 O ASN A 55 -3.301 5.554 9.207 1.00 0.00 O ATOM 860 CB ASN A 55 -2.198 8.015 7.901 1.00 0.00 C ATOM 861 CG ASN A 55 -2.513 8.549 9.286 1.00 0.00 C ATOM 862 OD1 ASN A 55 -1.831 9.619 9.677 1.00 0.00 O flip ATOM 863 ND2 ASN A 55 -3.358 8.005 9.995 1.00 0.00 N flip ATOM 0 H ASN A 55 -1.052 7.019 5.946 1.00 0.00 H new ATOM 0 HA ASN A 55 -0.866 6.562 8.766 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -1.519 8.702 7.396 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -3.114 7.981 7.311 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -3.858 7.184 9.654 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -3.558 8.375 10.924 1.00 0.00 H new ATOM 870 N TYR A 56 -2.881 4.760 7.151 1.00 0.00 N ATOM 871 CA TYR A 56 -3.899 3.730 7.228 1.00 0.00 C ATOM 872 C TYR A 56 -3.273 2.351 7.125 1.00 0.00 C ATOM 873 O TYR A 56 -3.962 1.368 6.864 1.00 0.00 O ATOM 874 CB TYR A 56 -4.915 3.924 6.109 1.00 0.00 C ATOM 875 CG TYR A 56 -5.522 5.305 6.083 1.00 0.00 C ATOM 876 CD1 TYR A 56 -4.751 6.424 5.796 1.00 0.00 C ATOM 877 CD2 TYR A 56 -6.870 5.488 6.348 1.00 0.00 C ATOM 878 CE1 TYR A 56 -5.311 7.687 5.775 1.00 0.00 C ATOM 879 CE2 TYR A 56 -7.439 6.746 6.330 1.00 0.00 C ATOM 880 CZ TYR A 56 -6.656 7.843 6.042 1.00 0.00 C ATOM 881 OH TYR A 56 -7.217 9.100 6.021 1.00 0.00 O ATOM 0 H TYR A 56 -2.364 4.778 6.272 1.00 0.00 H new ATOM 0 HA TYR A 56 -4.403 3.810 8.191 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -4.431 3.730 5.152 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -5.711 3.187 6.219 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -3.698 6.305 5.586 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -7.487 4.631 6.573 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -4.699 8.548 5.551 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -8.491 6.870 6.540 1.00 0.00 H new ATOM 0 HH TYR A 56 -8.172 9.035 6.229 1.00 0.00 H new ATOM 891 N VAL A 57 -1.957 2.291 7.310 1.00 0.00 N ATOM 892 CA VAL A 57 -1.235 1.028 7.223 1.00 0.00 C ATOM 893 C VAL A 57 -0.004 1.015 8.129 1.00 0.00 C ATOM 894 O VAL A 57 0.349 2.022 8.741 1.00 0.00 O ATOM 895 CB VAL A 57 -0.804 0.730 5.760 1.00 0.00 C ATOM 896 CG1 VAL A 57 -1.682 1.482 4.770 1.00 0.00 C ATOM 897 CG2 VAL A 57 0.660 1.082 5.532 1.00 0.00 C ATOM 0 H VAL A 57 -1.372 3.100 7.520 1.00 0.00 H new ATOM 0 HA VAL A 57 -1.920 0.250 7.560 1.00 0.00 H new ATOM 0 HB VAL A 57 -0.929 -0.340 5.595 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.360 1.256 3.753 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.720 1.175 4.898 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.596 2.554 4.948 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.931 0.862 4.499 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.814 2.143 5.729 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.285 0.493 6.204 1.00 0.00 H new ATOM 907 N VAL A 58 0.664 -0.133 8.163 1.00 0.00 N ATOM 908 CA VAL A 58 1.886 -0.308 8.936 1.00 0.00 C ATOM 909 C VAL A 58 2.906 -1.055 8.083 1.00 0.00 C ATOM 910 O VAL A 58 2.671 -2.192 7.677 1.00 0.00 O ATOM 911 CB VAL A 58 1.637 -1.073 10.254 1.00 0.00 C ATOM 912 CG1 VAL A 58 1.061 -2.451 9.979 1.00 0.00 C ATOM 913 CG2 VAL A 58 2.923 -1.176 11.062 1.00 0.00 C ATOM 0 H VAL A 58 0.373 -0.968 7.655 1.00 0.00 H new ATOM 0 HA VAL A 58 2.264 0.678 9.206 1.00 0.00 H new ATOM 0 HB VAL A 58 0.907 -0.515 10.841 1.00 0.00 H new ATOM 0 HG11 VAL A 58 0.894 -2.971 10.923 1.00 0.00 H new ATOM 0 HG12 VAL A 58 0.114 -2.350 9.448 1.00 0.00 H new ATOM 0 HG13 VAL A 58 1.760 -3.023 9.369 1.00 0.00 H new ATOM 0 HG21 VAL A 58 2.729 -1.718 11.987 1.00 0.00 H new ATOM 0 HG22 VAL A 58 3.676 -1.708 10.481 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.286 -0.176 11.297 1.00 0.00 H new ATOM 923 N VAL A 59 4.015 -0.393 7.773 1.00 0.00 N ATOM 924 CA VAL A 59 5.040 -0.984 6.918 1.00 0.00 C ATOM 925 C VAL A 59 5.711 -2.198 7.541 1.00 0.00 C ATOM 926 O VAL A 59 5.906 -2.279 8.754 1.00 0.00 O ATOM 927 CB VAL A 59 6.127 0.032 6.532 1.00 0.00 C ATOM 928 CG1 VAL A 59 7.070 -0.571 5.497 1.00 0.00 C ATOM 929 CG2 VAL A 59 5.494 1.308 6.006 1.00 0.00 C ATOM 0 H VAL A 59 4.228 0.550 8.099 1.00 0.00 H new ATOM 0 HA VAL A 59 4.504 -1.305 6.025 1.00 0.00 H new ATOM 0 HB VAL A 59 6.707 0.280 7.421 1.00 0.00 H new ATOM 0 HG11 VAL A 59 7.835 0.159 5.233 1.00 0.00 H new ATOM 0 HG12 VAL A 59 7.545 -1.460 5.912 1.00 0.00 H new ATOM 0 HG13 VAL A 59 6.505 -0.844 4.606 1.00 0.00 H new ATOM 0 HG21 VAL A 59 6.276 2.018 5.737 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.892 1.080 5.126 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.858 1.744 6.777 1.00 0.00 H new ATOM 939 N LEU A 60 6.070 -3.129 6.669 1.00 0.00 N ATOM 940 CA LEU A 60 6.730 -4.348 7.034 1.00 0.00 C ATOM 941 C LEU A 60 8.183 -4.288 6.576 1.00 0.00 C ATOM 942 O LEU A 60 8.560 -3.453 5.755 1.00 0.00 O ATOM 943 CB LEU A 60 6.004 -5.531 6.384 1.00 0.00 C ATOM 944 CG LEU A 60 5.179 -6.421 7.324 1.00 0.00 C ATOM 945 CD1 LEU A 60 4.634 -5.628 8.505 1.00 0.00 C ATOM 946 CD2 LEU A 60 4.039 -7.080 6.558 1.00 0.00 C ATOM 0 H LEU A 60 5.901 -3.044 5.667 1.00 0.00 H new ATOM 0 HA LEU A 60 6.709 -4.478 8.116 1.00 0.00 H new ATOM 0 HB2 LEU A 60 5.341 -5.143 5.611 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.745 -6.155 5.885 1.00 0.00 H new ATOM 0 HG LEU A 60 5.838 -7.195 7.718 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.055 -6.288 9.150 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.463 -5.203 9.071 1.00 0.00 H new ATOM 0 HD13 LEU A 60 3.994 -4.825 8.140 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.461 -7.709 7.235 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.392 -6.311 6.136 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.447 -7.692 5.754 1.00 0.00 H new ATOM 958 N SER A 61 8.984 -5.168 7.121 1.00 0.00 N ATOM 959 CA SER A 61 10.404 -5.236 6.792 1.00 0.00 C ATOM 960 C SER A 61 10.882 -6.684 6.744 1.00 0.00 C ATOM 961 O SER A 61 10.469 -7.472 7.621 1.00 0.00 O ATOM 962 CB SER A 61 11.230 -4.450 7.813 1.00 0.00 C ATOM 963 OG SER A 61 12.308 -3.776 7.187 1.00 0.00 O ATOM 964 OXT SER A 61 11.665 -7.018 5.831 1.00 0.00 O ATOM 0 H SER A 61 8.681 -5.861 7.805 1.00 0.00 H new ATOM 0 HA SER A 61 10.541 -4.791 5.807 1.00 0.00 H new ATOM 0 HB2 SER A 61 10.592 -3.728 8.323 1.00 0.00 H new ATOM 0 HB3 SER A 61 11.614 -5.129 8.574 1.00 0.00 H new ATOM 0 HG SER A 61 12.819 -3.280 7.860 1.00 0.00 H new TER 970 SER A 61