USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 470 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 13 CYS SG : rot 180:sc= 0 USER MOD Set 1.2: A 21 GLN : amide:sc= -0.0322 K(o=-0.032,f=-1.7!) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 HIS : no HD1:sc= -0.533 K(o=-0.53,f=-1.6!) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 147:sc= -0.873 (180deg=-3.03!) USER MOD Single : A 14 ASN : amide:sc= -1.15 K(o=-1.2,f=-3.3!) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.0447 USER MOD Single : A 25 ASN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 30 SER OG : rot -22:sc= 0.504 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -2.07 K(o=-2.1,f=-11!) USER MOD Single : A 33 ASN : amide:sc= -0.0197 X(o=-0.02,f=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -0.738 K(o=-0.74,f=-4.8!) USER MOD Single : A 45 SER OG : rot 180:sc= -0.844 USER MOD Single : A 46 ASN : amide:sc= -0.546 K(o=-0.55,f=-5.2!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.033 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ -140:sc= -0.175 (180deg=-0.968) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 LYS NZ :NH3+ -120:sc= 0 (180deg=-0.209) USER MOD Single : A 63 ASN : amide:sc= -3.14 K(o=-3.1,f=-9.2!) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 31 N ILE A 3 1.412 -0.604 2.985 1.00 0.00 N ATOM 32 CA ILE A 3 2.455 0.248 2.423 1.00 0.00 C ATOM 33 C ILE A 3 3.833 -0.359 2.670 1.00 0.00 C ATOM 34 O ILE A 3 4.133 -0.813 3.774 1.00 0.00 O ATOM 35 CB ILE A 3 2.387 1.640 3.053 1.00 0.00 C ATOM 36 CG1 ILE A 3 3.374 2.572 2.343 1.00 0.00 C ATOM 37 CG2 ILE A 3 2.752 1.548 4.536 1.00 0.00 C ATOM 38 CD1 ILE A 3 2.870 2.874 0.930 1.00 0.00 C ATOM 0 HA ILE A 3 2.294 0.328 1.348 1.00 0.00 H new ATOM 0 HB ILE A 3 1.376 2.035 2.951 1.00 0.00 H new ATOM 0 HG12 ILE A 3 3.484 3.499 2.906 1.00 0.00 H new ATOM 0 HG13 ILE A 3 4.359 2.108 2.297 1.00 0.00 H new ATOM 0 HG21 ILE A 3 2.704 2.540 4.985 1.00 0.00 H new ATOM 0 HG22 ILE A 3 2.050 0.886 5.043 1.00 0.00 H new ATOM 0 HG23 ILE A 3 3.763 1.153 4.638 1.00 0.00 H new ATOM 0 HD11 ILE A 3 3.574 3.537 0.427 1.00 0.00 H new ATOM 0 HD12 ILE A 3 2.783 1.944 0.368 1.00 0.00 H new ATOM 0 HD13 ILE A 3 1.894 3.356 0.987 1.00 0.00 H new ATOM 50 N GLU A 4 4.666 -0.361 1.635 1.00 0.00 N ATOM 51 CA GLU A 4 6.011 -0.913 1.751 1.00 0.00 C ATOM 52 C GLU A 4 6.891 -0.005 2.604 1.00 0.00 C ATOM 53 O GLU A 4 6.578 1.168 2.806 1.00 0.00 O ATOM 54 CB GLU A 4 6.632 -1.072 0.362 1.00 0.00 C ATOM 55 CG GLU A 4 6.812 0.306 -0.278 1.00 0.00 C ATOM 56 CD GLU A 4 7.354 0.155 -1.695 1.00 0.00 C ATOM 57 OE1 GLU A 4 7.567 -0.972 -2.110 1.00 0.00 O ATOM 58 OE2 GLU A 4 7.547 1.170 -2.345 1.00 0.00 O ATOM 0 H GLU A 4 4.436 0.010 0.713 1.00 0.00 H new ATOM 0 HA GLU A 4 5.943 -1.889 2.232 1.00 0.00 H new ATOM 0 HB2 GLU A 4 7.595 -1.578 0.438 1.00 0.00 H new ATOM 0 HB3 GLU A 4 5.993 -1.695 -0.264 1.00 0.00 H new ATOM 0 HG2 GLU A 4 5.859 0.834 -0.299 1.00 0.00 H new ATOM 0 HG3 GLU A 4 7.497 0.907 0.320 1.00 0.00 H new ATOM 65 N SER A 5 7.993 -0.556 3.103 1.00 0.00 N ATOM 66 CA SER A 5 8.911 0.216 3.934 1.00 0.00 C ATOM 67 C SER A 5 9.475 1.399 3.155 1.00 0.00 C ATOM 68 O SER A 5 9.796 1.280 1.972 1.00 0.00 O ATOM 69 CB SER A 5 10.058 -0.676 4.411 1.00 0.00 C ATOM 70 OG SER A 5 9.538 -1.709 5.236 1.00 0.00 O ATOM 0 H SER A 5 8.271 -1.525 2.949 1.00 0.00 H new ATOM 0 HA SER A 5 8.361 0.593 4.796 1.00 0.00 H new ATOM 0 HB2 SER A 5 10.579 -1.106 3.556 1.00 0.00 H new ATOM 0 HB3 SER A 5 10.787 -0.085 4.965 1.00 0.00 H new ATOM 0 HG SER A 5 10.271 -2.283 5.542 1.00 0.00 H new ATOM 76 N HIS A 6 9.592 2.541 3.825 1.00 0.00 N ATOM 77 CA HIS A 6 10.119 3.741 3.185 1.00 0.00 C ATOM 78 C HIS A 6 11.589 3.557 2.822 1.00 0.00 C ATOM 79 O HIS A 6 12.101 4.214 1.916 1.00 0.00 O ATOM 80 CB HIS A 6 9.970 4.940 4.123 1.00 0.00 C ATOM 81 CG HIS A 6 10.903 4.780 5.292 1.00 0.00 C ATOM 82 ND1 HIS A 6 12.226 5.190 5.243 1.00 0.00 N ATOM 83 CD2 HIS A 6 10.718 4.258 6.548 1.00 0.00 C ATOM 84 CE1 HIS A 6 12.782 4.910 6.437 1.00 0.00 C ATOM 85 NE2 HIS A 6 11.906 4.340 7.269 1.00 0.00 N ATOM 0 H HIS A 6 9.331 2.661 4.804 1.00 0.00 H new ATOM 0 HA HIS A 6 9.552 3.920 2.271 1.00 0.00 H new ATOM 0 HB2 HIS A 6 10.194 5.863 3.589 1.00 0.00 H new ATOM 0 HB3 HIS A 6 8.941 5.016 4.473 1.00 0.00 H new ATOM 0 HD2 HIS A 6 9.792 3.846 6.920 1.00 0.00 H new ATOM 0 HE1 HIS A 6 13.810 5.121 6.691 1.00 0.00 H new ATOM 0 HE2 HIS A 6 12.072 4.031 8.227 1.00 0.00 H new ATOM 94 N GLN A 7 12.264 2.660 3.535 1.00 0.00 N ATOM 95 CA GLN A 7 13.676 2.401 3.277 1.00 0.00 C ATOM 96 C GLN A 7 13.843 1.498 2.059 1.00 0.00 C ATOM 97 O GLN A 7 13.246 0.424 1.984 1.00 0.00 O ATOM 98 CB GLN A 7 14.315 1.736 4.498 1.00 0.00 C ATOM 99 CG GLN A 7 15.813 1.548 4.252 1.00 0.00 C ATOM 100 CD GLN A 7 16.459 0.876 5.459 1.00 0.00 C ATOM 101 OE1 GLN A 7 16.146 -0.272 5.773 1.00 0.00 O ATOM 102 NE2 GLN A 7 17.346 1.528 6.161 1.00 0.00 N ATOM 0 H GLN A 7 11.860 2.105 4.289 1.00 0.00 H new ATOM 0 HA GLN A 7 14.170 3.352 3.079 1.00 0.00 H new ATOM 0 HB2 GLN A 7 14.156 2.350 5.385 1.00 0.00 H new ATOM 0 HB3 GLN A 7 13.843 0.772 4.689 1.00 0.00 H new ATOM 0 HG2 GLN A 7 15.970 0.941 3.360 1.00 0.00 H new ATOM 0 HG3 GLN A 7 16.284 2.514 4.068 1.00 0.00 H new ATOM 0 HE21 GLN A 7 17.604 2.479 5.899 1.00 0.00 H new ATOM 0 HE22 GLN A 7 17.781 1.086 6.971 1.00 0.00 H new ATOM 111 N VAL A 8 14.658 1.941 1.108 1.00 0.00 N ATOM 112 CA VAL A 8 14.896 1.164 -0.103 1.00 0.00 C ATOM 113 C VAL A 8 16.369 1.225 -0.497 1.00 0.00 C ATOM 114 O VAL A 8 17.015 2.264 -0.363 1.00 0.00 O ATOM 115 CB VAL A 8 14.037 1.703 -1.248 1.00 0.00 C ATOM 116 CG1 VAL A 8 14.409 3.161 -1.524 1.00 0.00 C ATOM 117 CG2 VAL A 8 14.285 0.868 -2.506 1.00 0.00 C ATOM 0 H VAL A 8 15.162 2.827 1.151 1.00 0.00 H new ATOM 0 HA VAL A 8 14.626 0.127 0.095 1.00 0.00 H new ATOM 0 HB VAL A 8 12.984 1.643 -0.971 1.00 0.00 H new ATOM 0 HG11 VAL A 8 13.797 3.545 -2.340 1.00 0.00 H new ATOM 0 HG12 VAL A 8 14.234 3.757 -0.628 1.00 0.00 H new ATOM 0 HG13 VAL A 8 15.462 3.222 -1.801 1.00 0.00 H new ATOM 0 HG21 VAL A 8 13.674 1.251 -3.323 1.00 0.00 H new ATOM 0 HG22 VAL A 8 15.338 0.929 -2.781 1.00 0.00 H new ATOM 0 HG23 VAL A 8 14.020 -0.171 -2.311 1.00 0.00 H new ATOM 127 N GLU A 9 16.893 0.105 -0.983 1.00 0.00 N ATOM 128 CA GLU A 9 18.291 0.043 -1.393 1.00 0.00 C ATOM 129 C GLU A 9 18.476 -0.963 -2.525 1.00 0.00 C ATOM 130 O GLU A 9 17.624 -1.824 -2.748 1.00 0.00 O ATOM 131 CB GLU A 9 19.173 -0.354 -0.204 1.00 0.00 C ATOM 132 CG GLU A 9 18.394 -1.281 0.734 1.00 0.00 C ATOM 133 CD GLU A 9 17.819 -2.457 -0.048 1.00 0.00 C ATOM 134 OE1 GLU A 9 18.570 -3.080 -0.780 1.00 0.00 O ATOM 135 OE2 GLU A 9 16.636 -2.717 0.097 1.00 0.00 O ATOM 0 H GLU A 9 16.376 -0.766 -1.102 1.00 0.00 H new ATOM 0 HA GLU A 9 18.586 1.030 -1.748 1.00 0.00 H new ATOM 0 HB2 GLU A 9 20.074 -0.855 -0.559 1.00 0.00 H new ATOM 0 HB3 GLU A 9 19.495 0.537 0.335 1.00 0.00 H new ATOM 0 HG2 GLU A 9 19.050 -1.646 1.524 1.00 0.00 H new ATOM 0 HG3 GLU A 9 17.589 -0.728 1.218 1.00 0.00 H new ATOM 142 N LYS A 10 19.593 -0.848 -3.235 1.00 0.00 N ATOM 143 CA LYS A 10 19.880 -1.753 -4.342 1.00 0.00 C ATOM 144 C LYS A 10 21.351 -2.156 -4.336 1.00 0.00 C ATOM 145 O LYS A 10 22.179 -1.508 -3.695 1.00 0.00 O ATOM 146 CB LYS A 10 19.538 -1.080 -5.672 1.00 0.00 C ATOM 147 CG LYS A 10 19.987 0.383 -5.637 1.00 0.00 C ATOM 148 CD LYS A 10 18.799 1.274 -5.270 1.00 0.00 C ATOM 149 CE LYS A 10 19.173 2.741 -5.490 1.00 0.00 C ATOM 150 NZ LYS A 10 18.005 3.606 -5.163 1.00 0.00 N ATOM 0 H LYS A 10 20.310 -0.142 -3.066 1.00 0.00 H new ATOM 0 HA LYS A 10 19.269 -2.648 -4.222 1.00 0.00 H new ATOM 0 HB2 LYS A 10 20.030 -1.602 -6.493 1.00 0.00 H new ATOM 0 HB3 LYS A 10 18.465 -1.137 -5.855 1.00 0.00 H new ATOM 0 HG2 LYS A 10 20.789 0.511 -4.910 1.00 0.00 H new ATOM 0 HG3 LYS A 10 20.387 0.675 -6.608 1.00 0.00 H new ATOM 0 HD2 LYS A 10 17.934 1.013 -5.879 1.00 0.00 H new ATOM 0 HD3 LYS A 10 18.517 1.112 -4.230 1.00 0.00 H new ATOM 0 HE2 LYS A 10 20.024 3.008 -4.863 1.00 0.00 H new ATOM 0 HE3 LYS A 10 19.477 2.899 -6.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 18.259 4.603 -5.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 17.205 3.356 -5.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 17.735 3.463 -4.169 1.00 0.00 H new ATOM 164 N ARG A 11 21.670 -3.228 -5.053 1.00 0.00 N ATOM 165 CA ARG A 11 23.045 -3.707 -5.121 1.00 0.00 C ATOM 166 C ARG A 11 23.443 -3.994 -6.566 1.00 0.00 C ATOM 167 O ARG A 11 23.740 -5.131 -6.929 1.00 0.00 O ATOM 168 CB ARG A 11 23.245 -4.973 -4.259 1.00 0.00 C ATOM 169 CG ARG A 11 21.967 -5.834 -4.185 1.00 0.00 C ATOM 170 CD ARG A 11 21.779 -6.611 -5.491 1.00 0.00 C ATOM 171 NE ARG A 11 21.075 -5.795 -6.477 1.00 0.00 N ATOM 172 CZ ARG A 11 19.749 -5.647 -6.450 1.00 0.00 C ATOM 173 NH1 ARG A 11 19.027 -6.230 -5.526 1.00 0.00 N ATOM 174 NH2 ARG A 11 19.164 -4.912 -7.356 1.00 0.00 N ATOM 0 H ARG A 11 21.001 -3.778 -5.591 1.00 0.00 H new ATOM 0 HA ARG A 11 23.686 -2.920 -4.724 1.00 0.00 H new ATOM 0 HB2 ARG A 11 24.059 -5.568 -4.673 1.00 0.00 H new ATOM 0 HB3 ARG A 11 23.544 -4.682 -3.252 1.00 0.00 H new ATOM 0 HG2 ARG A 11 22.035 -6.528 -3.347 1.00 0.00 H new ATOM 0 HG3 ARG A 11 21.101 -5.198 -4.003 1.00 0.00 H new ATOM 0 HD2 ARG A 11 22.750 -6.911 -5.885 1.00 0.00 H new ATOM 0 HD3 ARG A 11 21.217 -7.525 -5.299 1.00 0.00 H new ATOM 0 HE ARG A 11 21.612 -5.325 -7.206 1.00 0.00 H new ATOM 0 HH11 ARG A 11 19.477 -6.806 -4.815 1.00 0.00 H new ATOM 0 HH12 ARG A 11 18.014 -6.108 -5.518 1.00 0.00 H new ATOM 0 HH21 ARG A 11 19.720 -4.455 -8.079 1.00 0.00 H new ATOM 0 HH22 ARG A 11 18.151 -4.795 -7.341 1.00 0.00 H new ATOM 188 N LYS A 12 23.452 -2.950 -7.389 1.00 0.00 N ATOM 189 CA LYS A 12 23.820 -3.099 -8.792 1.00 0.00 C ATOM 190 C LYS A 12 25.248 -2.617 -9.024 1.00 0.00 C ATOM 191 O LYS A 12 25.706 -1.693 -8.351 1.00 0.00 O ATOM 192 CB LYS A 12 22.857 -2.299 -9.673 1.00 0.00 C ATOM 193 CG LYS A 12 23.361 -0.861 -9.812 1.00 0.00 C ATOM 194 CD LYS A 12 22.241 0.022 -10.365 1.00 0.00 C ATOM 195 CE LYS A 12 21.296 0.421 -9.230 1.00 0.00 C ATOM 196 NZ LYS A 12 22.008 1.332 -8.289 1.00 0.00 N ATOM 0 H LYS A 12 23.211 -1.999 -7.111 1.00 0.00 H new ATOM 0 HA LYS A 12 23.758 -4.155 -9.055 1.00 0.00 H new ATOM 0 HB2 LYS A 12 22.777 -2.763 -10.656 1.00 0.00 H new ATOM 0 HB3 LYS A 12 21.859 -2.304 -9.236 1.00 0.00 H new ATOM 0 HG2 LYS A 12 23.690 -0.485 -8.843 1.00 0.00 H new ATOM 0 HG3 LYS A 12 24.225 -0.830 -10.476 1.00 0.00 H new ATOM 0 HD2 LYS A 12 22.663 0.913 -10.831 1.00 0.00 H new ATOM 0 HD3 LYS A 12 21.691 -0.513 -11.139 1.00 0.00 H new ATOM 0 HE2 LYS A 12 20.413 0.916 -9.634 1.00 0.00 H new ATOM 0 HE3 LYS A 12 20.950 -0.467 -8.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 21.333 2.016 -7.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 22.431 0.775 -7.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 22.757 1.842 -8.800 1.00 0.00 H new ATOM 210 N CYS A 13 25.926 -3.254 -9.987 1.00 0.00 N ATOM 211 CA CYS A 13 27.312 -2.918 -10.341 1.00 0.00 C ATOM 212 C CYS A 13 28.111 -2.431 -9.130 1.00 0.00 C ATOM 213 O CYS A 13 28.470 -1.257 -9.037 1.00 0.00 O ATOM 214 CB CYS A 13 27.312 -1.838 -11.428 1.00 0.00 C ATOM 215 SG CYS A 13 28.771 -2.035 -12.480 1.00 0.00 S ATOM 0 H CYS A 13 25.532 -4.014 -10.541 1.00 0.00 H new ATOM 0 HA CYS A 13 27.793 -3.824 -10.709 1.00 0.00 H new ATOM 0 HB2 CYS A 13 26.405 -1.912 -12.029 1.00 0.00 H new ATOM 0 HB3 CYS A 13 27.311 -0.848 -10.971 1.00 0.00 H new ATOM 0 HG CYS A 13 28.768 -1.119 -13.402 1.00 0.00 H new ATOM 220 N ASN A 14 28.379 -3.343 -8.200 1.00 0.00 N ATOM 221 CA ASN A 14 29.127 -2.998 -6.996 1.00 0.00 C ATOM 222 C ASN A 14 30.440 -3.773 -6.930 1.00 0.00 C ATOM 223 O ASN A 14 30.939 -4.074 -5.846 1.00 0.00 O ATOM 224 CB ASN A 14 28.287 -3.309 -5.755 1.00 0.00 C ATOM 225 CG ASN A 14 27.863 -4.773 -5.765 1.00 0.00 C ATOM 226 OD1 ASN A 14 28.689 -5.659 -5.983 1.00 0.00 O ATOM 227 ND2 ASN A 14 26.615 -5.083 -5.542 1.00 0.00 N ATOM 0 H ASN A 14 28.092 -4.320 -8.256 1.00 0.00 H new ATOM 0 HA ASN A 14 29.353 -1.932 -7.028 1.00 0.00 H new ATOM 0 HB2 ASN A 14 28.862 -3.095 -4.854 1.00 0.00 H new ATOM 0 HB3 ASN A 14 27.406 -2.667 -5.732 1.00 0.00 H new ATOM 0 HD21 ASN A 14 26.323 -6.060 -5.548 1.00 0.00 H new ATOM 0 HD22 ASN A 14 25.931 -4.348 -5.361 1.00 0.00 H new ATOM 234 N THR A 15 30.999 -4.090 -8.094 1.00 0.00 N ATOM 235 CA THR A 15 32.258 -4.826 -8.149 1.00 0.00 C ATOM 236 C THR A 15 33.439 -3.860 -8.166 1.00 0.00 C ATOM 237 O THR A 15 33.260 -2.651 -8.312 1.00 0.00 O ATOM 238 CB THR A 15 32.295 -5.706 -9.401 1.00 0.00 C ATOM 239 OG1 THR A 15 31.706 -5.006 -10.487 1.00 0.00 O ATOM 240 CG2 THR A 15 31.521 -6.999 -9.141 1.00 0.00 C ATOM 0 H THR A 15 30.605 -3.852 -9.004 1.00 0.00 H new ATOM 0 HA THR A 15 32.330 -5.456 -7.263 1.00 0.00 H new ATOM 0 HB THR A 15 33.329 -5.949 -9.645 1.00 0.00 H new ATOM 0 HG1 THR A 15 31.730 -5.567 -11.290 1.00 0.00 H new ATOM 0 HG21 THR A 15 31.548 -7.625 -10.033 1.00 0.00 H new ATOM 0 HG22 THR A 15 31.977 -7.535 -8.308 1.00 0.00 H new ATOM 0 HG23 THR A 15 30.486 -6.761 -8.896 1.00 0.00 H new ATOM 306 N GLN A 21 34.864 2.290 -13.503 1.00 0.00 N ATOM 307 CA GLN A 21 33.994 2.995 -14.435 1.00 0.00 C ATOM 308 C GLN A 21 33.625 4.373 -13.890 1.00 0.00 C ATOM 309 O GLN A 21 33.355 5.298 -14.656 1.00 0.00 O ATOM 310 CB GLN A 21 32.725 2.173 -14.699 1.00 0.00 C ATOM 311 CG GLN A 21 31.561 2.712 -13.861 1.00 0.00 C ATOM 312 CD GLN A 21 30.396 1.728 -13.900 1.00 0.00 C ATOM 313 OE1 GLN A 21 30.497 0.670 -14.521 1.00 0.00 O ATOM 314 NE2 GLN A 21 29.290 2.016 -13.270 1.00 0.00 N ATOM 0 HA GLN A 21 34.531 3.128 -15.374 1.00 0.00 H new ATOM 0 HB2 GLN A 21 32.470 2.214 -15.758 1.00 0.00 H new ATOM 0 HB3 GLN A 21 32.904 1.126 -14.455 1.00 0.00 H new ATOM 0 HG2 GLN A 21 31.884 2.867 -12.831 1.00 0.00 H new ATOM 0 HG3 GLN A 21 31.243 3.681 -14.245 1.00 0.00 H new ATOM 0 HE21 GLN A 21 29.209 2.893 -12.756 1.00 0.00 H new ATOM 0 HE22 GLN A 21 28.506 1.364 -13.291 1.00 0.00 H new ATOM 323 N ARG A 22 33.618 4.510 -12.566 1.00 0.00 N ATOM 324 CA ARG A 22 33.282 5.792 -11.955 1.00 0.00 C ATOM 325 C ARG A 22 34.457 6.760 -12.076 1.00 0.00 C ATOM 326 O ARG A 22 34.274 7.978 -12.074 1.00 0.00 O ATOM 327 CB ARG A 22 32.864 5.594 -10.483 1.00 0.00 C ATOM 328 CG ARG A 22 34.047 5.798 -9.521 1.00 0.00 C ATOM 329 CD ARG A 22 34.128 7.269 -9.104 1.00 0.00 C ATOM 330 NE ARG A 22 33.880 7.402 -7.671 1.00 0.00 N ATOM 331 CZ ARG A 22 34.823 7.132 -6.767 1.00 0.00 C ATOM 332 NH1 ARG A 22 36.014 6.735 -7.138 1.00 0.00 N ATOM 333 NH2 ARG A 22 34.555 7.266 -5.497 1.00 0.00 N ATOM 0 H ARG A 22 33.837 3.763 -11.906 1.00 0.00 H new ATOM 0 HA ARG A 22 32.434 6.226 -12.486 1.00 0.00 H new ATOM 0 HB2 ARG A 22 32.068 6.295 -10.234 1.00 0.00 H new ATOM 0 HB3 ARG A 22 32.458 4.591 -10.352 1.00 0.00 H new ATOM 0 HG2 ARG A 22 33.925 5.167 -8.641 1.00 0.00 H new ATOM 0 HG3 ARG A 22 34.976 5.495 -10.003 1.00 0.00 H new ATOM 0 HD2 ARG A 22 35.111 7.670 -9.349 1.00 0.00 H new ATOM 0 HD3 ARG A 22 33.397 7.854 -9.663 1.00 0.00 H new ATOM 0 HE ARG A 22 32.961 7.710 -7.353 1.00 0.00 H new ATOM 0 HH11 ARG A 22 36.230 6.629 -8.129 1.00 0.00 H new ATOM 0 HH12 ARG A 22 36.726 6.532 -6.436 1.00 0.00 H new ATOM 0 HH21 ARG A 22 33.629 7.575 -5.201 1.00 0.00 H new ATOM 0 HH22 ARG A 22 35.271 7.061 -4.800 1.00 0.00 H new ATOM 347 N LEU A 23 35.664 6.209 -12.189 1.00 0.00 N ATOM 348 CA LEU A 23 36.859 7.034 -12.320 1.00 0.00 C ATOM 349 C LEU A 23 36.755 7.903 -13.568 1.00 0.00 C ATOM 350 O LEU A 23 37.132 9.074 -13.556 1.00 0.00 O ATOM 351 CB LEU A 23 38.105 6.148 -12.407 1.00 0.00 C ATOM 352 CG LEU A 23 39.361 7.021 -12.484 1.00 0.00 C ATOM 353 CD1 LEU A 23 39.537 7.790 -11.171 1.00 0.00 C ATOM 354 CD2 LEU A 23 40.584 6.130 -12.718 1.00 0.00 C ATOM 0 H LEU A 23 35.838 5.204 -12.192 1.00 0.00 H new ATOM 0 HA LEU A 23 36.942 7.675 -11.443 1.00 0.00 H new ATOM 0 HB2 LEU A 23 38.159 5.494 -11.536 1.00 0.00 H new ATOM 0 HB3 LEU A 23 38.044 5.505 -13.285 1.00 0.00 H new ATOM 0 HG LEU A 23 39.259 7.729 -13.306 1.00 0.00 H new ATOM 0 HD11 LEU A 23 40.432 8.410 -11.230 1.00 0.00 H new ATOM 0 HD12 LEU A 23 38.667 8.424 -11.001 1.00 0.00 H new ATOM 0 HD13 LEU A 23 39.638 7.084 -10.347 1.00 0.00 H new ATOM 0 HD21 LEU A 23 41.480 6.749 -12.773 1.00 0.00 H new ATOM 0 HD22 LEU A 23 40.682 5.423 -11.894 1.00 0.00 H new ATOM 0 HD23 LEU A 23 40.462 5.583 -13.653 1.00 0.00 H new ATOM 366 N ALA A 24 36.227 7.320 -14.640 1.00 0.00 N ATOM 367 CA ALA A 24 36.061 8.053 -15.889 1.00 0.00 C ATOM 368 C ALA A 24 35.058 9.186 -15.698 1.00 0.00 C ATOM 369 O ALA A 24 35.264 10.302 -16.172 1.00 0.00 O ATOM 370 CB ALA A 24 35.570 7.111 -16.990 1.00 0.00 C ATOM 0 H ALA A 24 35.910 6.351 -14.669 1.00 0.00 H new ATOM 0 HA ALA A 24 37.024 8.471 -16.181 1.00 0.00 H new ATOM 0 HB1 ALA A 24 35.449 7.669 -17.919 1.00 0.00 H new ATOM 0 HB2 ALA A 24 36.298 6.313 -17.138 1.00 0.00 H new ATOM 0 HB3 ALA A 24 34.612 6.679 -16.699 1.00 0.00 H new ATOM 376 N ASN A 25 33.973 8.886 -14.993 1.00 0.00 N ATOM 377 CA ASN A 25 32.943 9.884 -14.736 1.00 0.00 C ATOM 378 C ASN A 25 33.516 11.039 -13.920 1.00 0.00 C ATOM 379 O ASN A 25 33.173 12.200 -14.141 1.00 0.00 O ATOM 380 CB ASN A 25 31.778 9.247 -13.976 1.00 0.00 C ATOM 381 CG ASN A 25 31.011 8.301 -14.894 1.00 0.00 C ATOM 382 OD1 ASN A 25 31.099 7.083 -14.743 1.00 0.00 O ATOM 383 ND2 ASN A 25 30.259 8.792 -15.841 1.00 0.00 N ATOM 0 H ASN A 25 33.785 7.967 -14.592 1.00 0.00 H new ATOM 0 HA ASN A 25 32.585 10.269 -15.691 1.00 0.00 H new ATOM 0 HB2 ASN A 25 32.153 8.702 -13.110 1.00 0.00 H new ATOM 0 HB3 ASN A 25 31.111 10.023 -13.600 1.00 0.00 H new ATOM 0 HD21 ASN A 25 29.742 8.166 -16.458 1.00 0.00 H new ATOM 0 HD22 ASN A 25 30.188 9.802 -15.964 1.00 0.00 H new ATOM 390 N PHE A 26 34.391 10.708 -12.976 1.00 0.00 N ATOM 391 CA PHE A 26 35.011 11.720 -12.126 1.00 0.00 C ATOM 392 C PHE A 26 35.917 12.639 -12.944 1.00 0.00 C ATOM 393 O PHE A 26 36.105 13.805 -12.599 1.00 0.00 O ATOM 394 CB PHE A 26 35.829 11.043 -11.024 1.00 0.00 C ATOM 395 CG PHE A 26 36.353 12.089 -10.070 1.00 0.00 C ATOM 396 CD1 PHE A 26 35.542 12.556 -9.029 1.00 0.00 C ATOM 397 CD2 PHE A 26 37.651 12.591 -10.225 1.00 0.00 C ATOM 398 CE1 PHE A 26 36.028 13.525 -8.143 1.00 0.00 C ATOM 399 CE2 PHE A 26 38.138 13.560 -9.339 1.00 0.00 C ATOM 400 CZ PHE A 26 37.326 14.027 -8.298 1.00 0.00 C ATOM 0 H PHE A 26 34.686 9.752 -12.780 1.00 0.00 H new ATOM 0 HA PHE A 26 34.220 12.321 -11.678 1.00 0.00 H new ATOM 0 HB2 PHE A 26 35.210 10.324 -10.487 1.00 0.00 H new ATOM 0 HB3 PHE A 26 36.658 10.487 -11.462 1.00 0.00 H new ATOM 0 HD1 PHE A 26 34.541 12.169 -8.909 1.00 0.00 H new ATOM 0 HD2 PHE A 26 38.277 12.231 -11.028 1.00 0.00 H new ATOM 0 HE1 PHE A 26 35.402 13.885 -7.340 1.00 0.00 H new ATOM 0 HE2 PHE A 26 39.139 13.947 -9.458 1.00 0.00 H new ATOM 0 HZ PHE A 26 37.701 14.774 -7.615 1.00 0.00 H new ATOM 410 N LEU A 27 36.482 12.103 -14.020 1.00 0.00 N ATOM 411 CA LEU A 27 37.375 12.880 -14.875 1.00 0.00 C ATOM 412 C LEU A 27 36.632 14.073 -15.477 1.00 0.00 C ATOM 413 O LEU A 27 37.187 15.166 -15.592 1.00 0.00 O ATOM 414 CB LEU A 27 37.932 11.963 -15.985 1.00 0.00 C ATOM 415 CG LEU A 27 38.945 12.680 -16.910 1.00 0.00 C ATOM 416 CD1 LEU A 27 38.210 13.471 -18.005 1.00 0.00 C ATOM 417 CD2 LEU A 27 39.863 13.618 -16.109 1.00 0.00 C ATOM 0 H LEU A 27 36.339 11.139 -14.321 1.00 0.00 H new ATOM 0 HA LEU A 27 38.203 13.269 -14.282 1.00 0.00 H new ATOM 0 HB2 LEU A 27 38.414 11.099 -15.527 1.00 0.00 H new ATOM 0 HB3 LEU A 27 37.105 11.585 -16.585 1.00 0.00 H new ATOM 0 HG LEU A 27 39.564 11.916 -17.380 1.00 0.00 H new ATOM 0 HD11 LEU A 27 38.938 13.968 -18.646 1.00 0.00 H new ATOM 0 HD12 LEU A 27 37.606 12.789 -18.604 1.00 0.00 H new ATOM 0 HD13 LEU A 27 37.564 14.217 -17.543 1.00 0.00 H new ATOM 0 HD21 LEU A 27 40.563 14.107 -16.786 1.00 0.00 H new ATOM 0 HD22 LEU A 27 39.260 14.372 -15.603 1.00 0.00 H new ATOM 0 HD23 LEU A 27 40.417 13.040 -15.369 1.00 0.00 H new ATOM 429 N VAL A 28 35.370 13.869 -15.841 1.00 0.00 N ATOM 430 CA VAL A 28 34.575 14.952 -16.414 1.00 0.00 C ATOM 431 C VAL A 28 33.760 15.658 -15.331 1.00 0.00 C ATOM 432 O VAL A 28 33.406 16.828 -15.477 1.00 0.00 O ATOM 433 CB VAL A 28 33.644 14.413 -17.502 1.00 0.00 C ATOM 434 CG1 VAL A 28 34.468 13.686 -18.566 1.00 0.00 C ATOM 435 CG2 VAL A 28 32.639 13.437 -16.883 1.00 0.00 C ATOM 0 H VAL A 28 34.881 12.978 -15.752 1.00 0.00 H new ATOM 0 HA VAL A 28 35.258 15.675 -16.860 1.00 0.00 H new ATOM 0 HB VAL A 28 33.108 15.244 -17.961 1.00 0.00 H new ATOM 0 HG11 VAL A 28 33.804 13.302 -19.341 1.00 0.00 H new ATOM 0 HG12 VAL A 28 35.182 14.380 -19.010 1.00 0.00 H new ATOM 0 HG13 VAL A 28 35.006 12.857 -18.106 1.00 0.00 H new ATOM 0 HG21 VAL A 28 31.977 13.055 -17.660 1.00 0.00 H new ATOM 0 HG22 VAL A 28 33.174 12.607 -16.422 1.00 0.00 H new ATOM 0 HG23 VAL A 28 32.049 13.954 -16.126 1.00 0.00 H new ATOM 445 N HIS A 29 33.477 14.952 -14.241 1.00 0.00 N ATOM 446 CA HIS A 29 32.718 15.543 -13.144 1.00 0.00 C ATOM 447 C HIS A 29 33.556 16.608 -12.443 1.00 0.00 C ATOM 448 O HIS A 29 33.052 17.664 -12.063 1.00 0.00 O ATOM 449 CB HIS A 29 32.322 14.460 -12.138 1.00 0.00 C ATOM 450 CG HIS A 29 31.338 15.028 -11.151 1.00 0.00 C ATOM 451 ND1 HIS A 29 30.029 15.321 -11.498 1.00 0.00 N ATOM 452 CD2 HIS A 29 31.458 15.361 -9.825 1.00 0.00 C ATOM 453 CE1 HIS A 29 29.418 15.806 -10.402 1.00 0.00 C ATOM 454 NE2 HIS A 29 30.245 15.852 -9.354 1.00 0.00 N ATOM 0 H HIS A 29 33.757 13.982 -14.094 1.00 0.00 H new ATOM 0 HA HIS A 29 31.817 16.004 -13.550 1.00 0.00 H new ATOM 0 HB2 HIS A 29 31.882 13.609 -12.658 1.00 0.00 H new ATOM 0 HB3 HIS A 29 33.206 14.092 -11.616 1.00 0.00 H new ATOM 0 HD2 HIS A 29 32.358 15.257 -9.237 1.00 0.00 H new ATOM 0 HE1 HIS A 29 28.385 16.120 -10.373 1.00 0.00 H new ATOM 0 HE2 HIS A 29 30.033 16.177 -8.411 1.00 0.00 H new ATOM 463 N SER A 30 34.841 16.312 -12.277 1.00 0.00 N ATOM 464 CA SER A 30 35.753 17.241 -11.618 1.00 0.00 C ATOM 465 C SER A 30 36.416 18.180 -12.630 1.00 0.00 C ATOM 466 O SER A 30 37.092 19.135 -12.247 1.00 0.00 O ATOM 467 CB SER A 30 36.832 16.464 -10.865 1.00 0.00 C ATOM 468 OG SER A 30 37.695 17.380 -10.204 1.00 0.00 O ATOM 0 H SER A 30 35.273 15.442 -12.587 1.00 0.00 H new ATOM 0 HA SER A 30 35.172 17.842 -10.918 1.00 0.00 H new ATOM 0 HB2 SER A 30 36.373 15.791 -10.140 1.00 0.00 H new ATOM 0 HB3 SER A 30 37.402 15.845 -11.558 1.00 0.00 H new ATOM 0 HG SER A 30 37.644 18.254 -10.645 1.00 0.00 H new ATOM 474 N SER A 31 36.228 17.901 -13.920 1.00 0.00 N ATOM 475 CA SER A 31 36.825 18.722 -14.971 1.00 0.00 C ATOM 476 C SER A 31 36.482 20.199 -14.790 1.00 0.00 C ATOM 477 O SER A 31 37.162 21.068 -15.336 1.00 0.00 O ATOM 478 CB SER A 31 36.339 18.247 -16.341 1.00 0.00 C ATOM 479 OG SER A 31 36.926 19.055 -17.353 1.00 0.00 O ATOM 0 H SER A 31 35.670 17.117 -14.260 1.00 0.00 H new ATOM 0 HA SER A 31 37.908 18.614 -14.905 1.00 0.00 H new ATOM 0 HB2 SER A 31 36.608 17.202 -16.493 1.00 0.00 H new ATOM 0 HB3 SER A 31 35.252 18.308 -16.395 1.00 0.00 H new ATOM 0 HG SER A 31 36.618 18.752 -18.233 1.00 0.00 H new ATOM 485 N ASN A 32 35.435 20.485 -14.023 1.00 0.00 N ATOM 486 CA ASN A 32 35.034 21.867 -13.787 1.00 0.00 C ATOM 487 C ASN A 32 36.154 22.633 -13.092 1.00 0.00 C ATOM 488 O ASN A 32 36.512 23.740 -13.497 1.00 0.00 O ATOM 489 CB ASN A 32 33.775 21.904 -12.919 1.00 0.00 C ATOM 490 CG ASN A 32 34.003 21.114 -11.635 1.00 0.00 C ATOM 491 OD1 ASN A 32 34.318 19.925 -11.684 1.00 0.00 O ATOM 492 ND2 ASN A 32 33.863 21.707 -10.481 1.00 0.00 N ATOM 0 H ASN A 32 34.854 19.787 -13.559 1.00 0.00 H new ATOM 0 HA ASN A 32 34.826 22.337 -14.748 1.00 0.00 H new ATOM 0 HB2 ASN A 32 33.518 22.936 -12.680 1.00 0.00 H new ATOM 0 HB3 ASN A 32 32.932 21.485 -13.469 1.00 0.00 H new ATOM 0 HD21 ASN A 32 34.015 21.185 -9.618 1.00 0.00 H new ATOM 0 HD22 ASN A 32 33.602 22.692 -10.442 1.00 0.00 H new ATOM 499 N ASN A 33 36.708 22.031 -12.045 1.00 0.00 N ATOM 500 CA ASN A 33 37.792 22.665 -11.306 1.00 0.00 C ATOM 501 C ASN A 33 39.027 22.776 -12.191 1.00 0.00 C ATOM 502 O ASN A 33 39.729 23.787 -12.181 1.00 0.00 O ATOM 503 CB ASN A 33 38.126 21.850 -10.053 1.00 0.00 C ATOM 504 CG ASN A 33 36.999 21.973 -9.033 1.00 0.00 C ATOM 505 OD1 ASN A 33 36.381 20.973 -8.667 1.00 0.00 O ATOM 506 ND2 ASN A 33 36.695 23.146 -8.548 1.00 0.00 N ATOM 0 H ASN A 33 36.428 21.116 -11.693 1.00 0.00 H new ATOM 0 HA ASN A 33 37.474 23.663 -11.005 1.00 0.00 H new ATOM 0 HB2 ASN A 33 38.274 20.803 -10.319 1.00 0.00 H new ATOM 0 HB3 ASN A 33 39.061 22.203 -9.618 1.00 0.00 H new ATOM 0 HD21 ASN A 33 35.944 23.236 -7.864 1.00 0.00 H new ATOM 0 HD22 ASN A 33 37.209 23.973 -8.853 1.00 0.00 H new ATOM 513 N PHE A 34 39.281 21.718 -12.954 1.00 0.00 N ATOM 514 CA PHE A 34 40.432 21.682 -13.849 1.00 0.00 C ATOM 515 C PHE A 34 40.488 22.944 -14.703 1.00 0.00 C ATOM 516 O PHE A 34 41.566 23.480 -14.961 1.00 0.00 O ATOM 517 CB PHE A 34 40.353 20.452 -14.755 1.00 0.00 C ATOM 518 CG PHE A 34 41.554 20.421 -15.670 1.00 0.00 C ATOM 519 CD1 PHE A 34 42.788 19.964 -15.191 1.00 0.00 C ATOM 520 CD2 PHE A 34 41.433 20.848 -16.998 1.00 0.00 C ATOM 521 CE1 PHE A 34 43.901 19.935 -16.039 1.00 0.00 C ATOM 522 CE2 PHE A 34 42.547 20.819 -17.846 1.00 0.00 C ATOM 523 CZ PHE A 34 43.780 20.363 -17.367 1.00 0.00 C ATOM 0 H PHE A 34 38.706 20.875 -12.971 1.00 0.00 H new ATOM 0 HA PHE A 34 41.336 21.628 -13.243 1.00 0.00 H new ATOM 0 HB2 PHE A 34 40.319 19.545 -14.152 1.00 0.00 H new ATOM 0 HB3 PHE A 34 39.435 20.479 -15.343 1.00 0.00 H new ATOM 0 HD1 PHE A 34 42.881 19.634 -14.167 1.00 0.00 H new ATOM 0 HD2 PHE A 34 40.481 21.199 -17.368 1.00 0.00 H new ATOM 0 HE1 PHE A 34 44.853 19.583 -15.669 1.00 0.00 H new ATOM 0 HE2 PHE A 34 42.454 21.149 -18.870 1.00 0.00 H new ATOM 0 HZ PHE A 34 44.639 20.341 -18.022 1.00 0.00 H new ATOM 533 N GLY A 35 39.325 23.416 -15.138 1.00 0.00 N ATOM 534 CA GLY A 35 39.268 24.618 -15.960 1.00 0.00 C ATOM 535 C GLY A 35 39.847 25.813 -15.211 1.00 0.00 C ATOM 536 O GLY A 35 40.747 26.490 -15.705 1.00 0.00 O ATOM 0 H GLY A 35 38.420 22.991 -14.938 1.00 0.00 H new ATOM 0 HA2 GLY A 35 39.823 24.459 -16.884 1.00 0.00 H new ATOM 0 HA3 GLY A 35 38.235 24.824 -16.240 1.00 0.00 H new ATOM 540 N ALA A 36 39.328 26.070 -14.016 1.00 0.00 N ATOM 541 CA ALA A 36 39.811 27.191 -13.218 1.00 0.00 C ATOM 542 C ALA A 36 41.234 26.933 -12.724 1.00 0.00 C ATOM 543 O ALA A 36 41.958 27.868 -12.383 1.00 0.00 O ATOM 544 CB ALA A 36 38.884 27.419 -12.022 1.00 0.00 C ATOM 0 H ALA A 36 38.582 25.525 -13.582 1.00 0.00 H new ATOM 0 HA ALA A 36 39.818 28.081 -13.847 1.00 0.00 H new ATOM 0 HB1 ALA A 36 39.252 28.258 -11.431 1.00 0.00 H new ATOM 0 HB2 ALA A 36 37.878 27.640 -12.378 1.00 0.00 H new ATOM 0 HB3 ALA A 36 38.861 26.522 -11.403 1.00 0.00 H new ATOM 550 N ILE A 37 41.628 25.663 -12.683 1.00 0.00 N ATOM 551 CA ILE A 37 42.966 25.302 -12.224 1.00 0.00 C ATOM 552 C ILE A 37 44.033 25.769 -13.212 1.00 0.00 C ATOM 553 O ILE A 37 45.114 26.199 -12.810 1.00 0.00 O ATOM 554 CB ILE A 37 43.065 23.786 -12.036 1.00 0.00 C ATOM 555 CG1 ILE A 37 42.436 23.403 -10.690 1.00 0.00 C ATOM 556 CG2 ILE A 37 44.536 23.360 -12.053 1.00 0.00 C ATOM 557 CD1 ILE A 37 42.280 21.881 -10.597 1.00 0.00 C ATOM 0 H ILE A 37 41.045 24.873 -12.960 1.00 0.00 H new ATOM 0 HA ILE A 37 43.140 25.800 -11.270 1.00 0.00 H new ATOM 0 HB ILE A 37 42.536 23.282 -12.845 1.00 0.00 H new ATOM 0 HG12 ILE A 37 43.060 23.763 -9.872 1.00 0.00 H new ATOM 0 HG13 ILE A 37 41.463 23.883 -10.584 1.00 0.00 H new ATOM 0 HG21 ILE A 37 44.604 22.280 -11.919 1.00 0.00 H new ATOM 0 HG22 ILE A 37 44.984 23.636 -13.008 1.00 0.00 H new ATOM 0 HG23 ILE A 37 45.069 23.860 -11.244 1.00 0.00 H new ATOM 0 HD11 ILE A 37 41.833 21.619 -9.638 1.00 0.00 H new ATOM 0 HD12 ILE A 37 41.637 21.531 -11.405 1.00 0.00 H new ATOM 0 HD13 ILE A 37 43.259 21.409 -10.682 1.00 0.00 H new ATOM 569 N LEU A 38 43.726 25.680 -14.504 1.00 0.00 N ATOM 570 CA LEU A 38 44.678 26.098 -15.529 1.00 0.00 C ATOM 571 C LEU A 38 44.762 27.622 -15.604 1.00 0.00 C ATOM 572 O LEU A 38 45.747 28.173 -16.094 1.00 0.00 O ATOM 573 CB LEU A 38 44.286 25.511 -16.895 1.00 0.00 C ATOM 574 CG LEU A 38 43.209 26.371 -17.568 1.00 0.00 C ATOM 575 CD1 LEU A 38 43.864 27.317 -18.578 1.00 0.00 C ATOM 576 CD2 LEU A 38 42.222 25.457 -18.299 1.00 0.00 C ATOM 0 H LEU A 38 42.838 25.327 -14.862 1.00 0.00 H new ATOM 0 HA LEU A 38 45.663 25.718 -15.257 1.00 0.00 H new ATOM 0 HB2 LEU A 38 45.165 25.453 -17.537 1.00 0.00 H new ATOM 0 HB3 LEU A 38 43.917 24.493 -16.766 1.00 0.00 H new ATOM 0 HG LEU A 38 42.684 26.955 -16.812 1.00 0.00 H new ATOM 0 HD11 LEU A 38 43.097 27.927 -19.055 1.00 0.00 H new ATOM 0 HD12 LEU A 38 44.574 27.964 -18.063 1.00 0.00 H new ATOM 0 HD13 LEU A 38 44.388 26.734 -19.336 1.00 0.00 H new ATOM 0 HD21 LEU A 38 41.453 26.062 -18.780 1.00 0.00 H new ATOM 0 HD22 LEU A 38 42.753 24.878 -19.054 1.00 0.00 H new ATOM 0 HD23 LEU A 38 41.756 24.779 -17.584 1.00 0.00 H new ATOM 588 N SER A 39 43.728 28.297 -15.108 1.00 0.00 N ATOM 589 CA SER A 39 43.706 29.755 -15.119 1.00 0.00 C ATOM 590 C SER A 39 44.868 30.311 -14.302 1.00 0.00 C ATOM 591 O SER A 39 45.490 31.303 -14.684 1.00 0.00 O ATOM 592 CB SER A 39 42.385 30.263 -14.540 1.00 0.00 C ATOM 593 OG SER A 39 42.379 31.684 -14.559 1.00 0.00 O ATOM 0 H SER A 39 42.902 27.862 -14.697 1.00 0.00 H new ATOM 0 HA SER A 39 43.803 30.094 -16.150 1.00 0.00 H new ATOM 0 HB2 SER A 39 41.548 29.877 -15.121 1.00 0.00 H new ATOM 0 HB3 SER A 39 42.259 29.901 -13.520 1.00 0.00 H new ATOM 0 HG SER A 39 41.533 32.013 -14.190 1.00 0.00 H new ATOM 599 N SER A 40 45.157 29.666 -13.176 1.00 0.00 N ATOM 600 CA SER A 40 46.249 30.105 -12.313 1.00 0.00 C ATOM 601 C SER A 40 47.543 29.381 -12.673 1.00 0.00 C ATOM 602 O SER A 40 48.419 29.198 -11.827 1.00 0.00 O ATOM 603 CB SER A 40 45.899 29.832 -10.851 1.00 0.00 C ATOM 604 OG SER A 40 44.744 30.582 -10.497 1.00 0.00 O ATOM 0 H SER A 40 44.655 28.844 -12.841 1.00 0.00 H new ATOM 0 HA SER A 40 46.394 31.175 -12.458 1.00 0.00 H new ATOM 0 HB2 SER A 40 45.716 28.768 -10.701 1.00 0.00 H new ATOM 0 HB3 SER A 40 46.735 30.105 -10.208 1.00 0.00 H new ATOM 0 HG SER A 40 44.515 30.408 -9.560 1.00 0.00 H new ATOM 610 N THR A 41 47.656 28.972 -13.933 1.00 0.00 N ATOM 611 CA THR A 41 48.848 28.269 -14.396 1.00 0.00 C ATOM 612 C THR A 41 50.096 29.143 -14.258 1.00 0.00 C ATOM 613 O THR A 41 51.218 28.651 -14.375 1.00 0.00 O ATOM 614 CB THR A 41 48.675 27.858 -15.859 1.00 0.00 C ATOM 615 OG1 THR A 41 49.852 27.199 -16.306 1.00 0.00 O ATOM 616 CG2 THR A 41 48.428 29.101 -16.715 1.00 0.00 C ATOM 0 H THR A 41 46.942 29.114 -14.648 1.00 0.00 H new ATOM 0 HA THR A 41 48.977 27.382 -13.775 1.00 0.00 H new ATOM 0 HB THR A 41 47.824 27.183 -15.949 1.00 0.00 H new ATOM 0 HG1 THR A 41 49.742 26.933 -17.243 1.00 0.00 H new ATOM 0 HG21 THR A 41 48.305 28.806 -17.757 1.00 0.00 H new ATOM 0 HG22 THR A 41 47.525 29.606 -16.372 1.00 0.00 H new ATOM 0 HG23 THR A 41 49.278 29.778 -16.627 1.00 0.00 H new ATOM 624 N ASN A 42 49.900 30.438 -14.014 1.00 0.00 N ATOM 625 CA ASN A 42 51.027 31.354 -13.870 1.00 0.00 C ATOM 626 C ASN A 42 51.515 31.402 -12.422 1.00 0.00 C ATOM 627 O ASN A 42 52.200 32.343 -12.023 1.00 0.00 O ATOM 628 CB ASN A 42 50.615 32.758 -14.317 1.00 0.00 C ATOM 629 CG ASN A 42 49.608 33.345 -13.333 1.00 0.00 C ATOM 630 OD1 ASN A 42 49.053 32.621 -12.506 1.00 0.00 O ATOM 631 ND2 ASN A 42 49.337 34.621 -13.373 1.00 0.00 N ATOM 0 H ASN A 42 48.982 30.871 -13.913 1.00 0.00 H new ATOM 0 HA ASN A 42 51.841 30.992 -14.497 1.00 0.00 H new ATOM 0 HB2 ASN A 42 51.493 33.401 -14.378 1.00 0.00 H new ATOM 0 HB3 ASN A 42 50.179 32.717 -15.315 1.00 0.00 H new ATOM 0 HD21 ASN A 42 48.664 35.020 -12.718 1.00 0.00 H new ATOM 0 HD22 ASN A 42 49.798 35.219 -14.059 1.00 0.00 H new ATOM 638 N VAL A 43 51.162 30.385 -11.638 1.00 0.00 N ATOM 639 CA VAL A 43 51.577 30.332 -10.240 1.00 0.00 C ATOM 640 C VAL A 43 52.942 29.655 -10.100 1.00 0.00 C ATOM 641 O VAL A 43 53.330 29.246 -9.006 1.00 0.00 O ATOM 642 CB VAL A 43 50.534 29.568 -9.420 1.00 0.00 C ATOM 643 CG1 VAL A 43 50.723 28.061 -9.619 1.00 0.00 C ATOM 644 CG2 VAL A 43 50.693 29.913 -7.935 1.00 0.00 C ATOM 0 H VAL A 43 50.595 29.594 -11.944 1.00 0.00 H new ATOM 0 HA VAL A 43 51.660 31.353 -9.867 1.00 0.00 H new ATOM 0 HB VAL A 43 49.536 29.853 -9.753 1.00 0.00 H new ATOM 0 HG11 VAL A 43 49.979 27.521 -9.034 1.00 0.00 H new ATOM 0 HG12 VAL A 43 50.603 27.815 -10.674 1.00 0.00 H new ATOM 0 HG13 VAL A 43 51.722 27.773 -9.291 1.00 0.00 H new ATOM 0 HG21 VAL A 43 49.950 29.368 -7.353 1.00 0.00 H new ATOM 0 HG22 VAL A 43 51.692 29.632 -7.601 1.00 0.00 H new ATOM 0 HG23 VAL A 43 50.551 30.984 -7.793 1.00 0.00 H new ATOM 654 N GLY A 44 53.670 29.541 -11.209 1.00 0.00 N ATOM 655 CA GLY A 44 54.987 28.914 -11.182 1.00 0.00 C ATOM 656 C GLY A 44 54.870 27.392 -11.175 1.00 0.00 C ATOM 657 O GLY A 44 55.791 26.693 -10.752 1.00 0.00 O ATOM 0 H GLY A 44 53.373 29.871 -12.127 1.00 0.00 H new ATOM 0 HA2 GLY A 44 55.563 29.234 -12.050 1.00 0.00 H new ATOM 0 HA3 GLY A 44 55.533 29.244 -10.298 1.00 0.00 H new ATOM 661 N SER A 45 53.735 26.883 -11.646 1.00 0.00 N ATOM 662 CA SER A 45 53.515 25.442 -11.689 1.00 0.00 C ATOM 663 C SER A 45 53.083 25.006 -13.086 1.00 0.00 C ATOM 664 O SER A 45 52.294 24.074 -13.239 1.00 0.00 O ATOM 665 CB SER A 45 52.441 25.046 -10.675 1.00 0.00 C ATOM 666 OG SER A 45 51.193 25.600 -11.072 1.00 0.00 O ATOM 0 H SER A 45 52.959 27.442 -12.001 1.00 0.00 H new ATOM 0 HA SER A 45 54.452 24.944 -11.439 1.00 0.00 H new ATOM 0 HB2 SER A 45 52.367 23.960 -10.612 1.00 0.00 H new ATOM 0 HB3 SER A 45 52.712 25.405 -9.682 1.00 0.00 H new ATOM 0 HG SER A 45 50.502 25.347 -10.425 1.00 0.00 H new ATOM 672 N ASN A 46 53.604 25.689 -14.100 1.00 0.00 N ATOM 673 CA ASN A 46 53.263 25.365 -15.481 1.00 0.00 C ATOM 674 C ASN A 46 54.327 24.465 -16.103 1.00 0.00 C ATOM 675 O ASN A 46 54.507 24.451 -17.320 1.00 0.00 O ATOM 676 CB ASN A 46 53.136 26.649 -16.302 1.00 0.00 C ATOM 677 CG ASN A 46 54.498 27.321 -16.436 1.00 0.00 C ATOM 678 OD1 ASN A 46 55.448 26.944 -15.749 1.00 0.00 O ATOM 679 ND2 ASN A 46 54.652 28.301 -17.284 1.00 0.00 N ATOM 0 H ASN A 46 54.259 26.464 -13.994 1.00 0.00 H new ATOM 0 HA ASN A 46 52.311 24.835 -15.483 1.00 0.00 H new ATOM 0 HB2 ASN A 46 52.736 26.420 -17.290 1.00 0.00 H new ATOM 0 HB3 ASN A 46 52.432 27.329 -15.822 1.00 0.00 H new ATOM 0 HD21 ASN A 46 55.560 28.756 -17.378 1.00 0.00 H new ATOM 0 HD22 ASN A 46 53.864 28.612 -17.852 1.00 0.00 H new ATOM 686 N THR A 47 55.030 23.716 -15.259 1.00 0.00 N ATOM 687 CA THR A 47 56.074 22.818 -15.740 1.00 0.00 C ATOM 688 C THR A 47 55.509 21.424 -15.996 1.00 0.00 C ATOM 689 O THR A 47 56.225 20.427 -15.899 1.00 0.00 O ATOM 690 CB THR A 47 57.202 22.731 -14.710 1.00 0.00 C ATOM 691 OG1 THR A 47 57.000 23.714 -13.704 1.00 0.00 O ATOM 692 CG2 THR A 47 58.546 22.973 -15.400 1.00 0.00 C ATOM 0 H THR A 47 54.898 23.712 -14.248 1.00 0.00 H new ATOM 0 HA THR A 47 56.465 23.216 -16.676 1.00 0.00 H new ATOM 0 HB THR A 47 57.203 21.740 -14.255 1.00 0.00 H new ATOM 0 HG1 THR A 47 57.721 23.658 -13.043 1.00 0.00 H new ATOM 0 HG21 THR A 47 59.349 22.911 -14.665 1.00 0.00 H new ATOM 0 HG22 THR A 47 58.700 22.218 -16.171 1.00 0.00 H new ATOM 0 HG23 THR A 47 58.548 23.963 -15.856 1.00 0.00 H new ATOM 700 N TYR A 48 54.222 21.361 -16.325 1.00 0.00 N ATOM 701 CA TYR A 48 53.574 20.082 -16.594 1.00 0.00 C ATOM 702 C TYR A 48 52.683 20.173 -17.831 1.00 0.00 C ATOM 703 O TYR A 48 51.767 19.370 -18.006 1.00 0.00 O ATOM 704 CB TYR A 48 52.735 19.661 -15.385 1.00 0.00 C ATOM 705 CG TYR A 48 51.489 20.512 -15.311 1.00 0.00 C ATOM 706 CD1 TYR A 48 50.253 19.980 -15.698 1.00 0.00 C ATOM 707 CD2 TYR A 48 51.570 21.834 -14.855 1.00 0.00 C ATOM 708 CE1 TYR A 48 49.098 20.769 -15.630 1.00 0.00 C ATOM 709 CE2 TYR A 48 50.415 22.622 -14.787 1.00 0.00 C ATOM 710 CZ TYR A 48 49.179 22.090 -15.174 1.00 0.00 C ATOM 711 OH TYR A 48 48.041 22.867 -15.107 1.00 0.00 O ATOM 0 H TYR A 48 53.612 22.174 -16.411 1.00 0.00 H new ATOM 0 HA TYR A 48 54.348 19.337 -16.779 1.00 0.00 H new ATOM 0 HB2 TYR A 48 52.464 18.608 -15.467 1.00 0.00 H new ATOM 0 HB3 TYR A 48 53.317 19.770 -14.470 1.00 0.00 H new ATOM 0 HD1 TYR A 48 50.190 18.961 -16.049 1.00 0.00 H new ATOM 0 HD2 TYR A 48 52.523 22.245 -14.556 1.00 0.00 H new ATOM 0 HE1 TYR A 48 48.145 20.358 -15.929 1.00 0.00 H new ATOM 0 HE2 TYR A 48 50.477 23.641 -14.436 1.00 0.00 H new ATOM 0 HH TYR A 48 48.272 23.757 -14.769 1.00 0.00 H new ATOM 721 N GLY A 49 52.955 21.154 -18.686 1.00 0.00 N ATOM 722 CA GLY A 49 52.166 21.335 -19.900 1.00 0.00 C ATOM 723 C GLY A 49 52.173 20.070 -20.751 1.00 0.00 C ATOM 724 O GLY A 49 53.230 19.584 -21.152 1.00 0.00 O ATOM 0 H GLY A 49 53.709 21.830 -18.563 1.00 0.00 H new ATOM 0 HA2 GLY A 49 51.141 21.594 -19.636 1.00 0.00 H new ATOM 0 HA3 GLY A 49 52.567 22.168 -20.477 1.00 0.00 H new ATOM 728 N LYS A 50 50.984 19.542 -21.024 1.00 0.00 N ATOM 729 CA LYS A 50 50.859 18.334 -21.832 1.00 0.00 C ATOM 730 C LYS A 50 51.284 18.606 -23.271 1.00 0.00 C ATOM 731 O LYS A 50 51.874 17.747 -23.928 1.00 0.00 O ATOM 732 CB LYS A 50 49.413 17.838 -21.809 1.00 0.00 C ATOM 733 CG LYS A 50 49.078 17.305 -20.414 1.00 0.00 C ATOM 734 CD LYS A 50 47.697 16.645 -20.434 1.00 0.00 C ATOM 735 CE LYS A 50 46.617 17.718 -20.580 1.00 0.00 C ATOM 736 NZ LYS A 50 46.700 18.667 -19.434 1.00 0.00 N ATOM 0 H LYS A 50 50.098 19.929 -20.700 1.00 0.00 H new ATOM 0 HA LYS A 50 51.511 17.569 -21.412 1.00 0.00 H new ATOM 0 HB2 LYS A 50 48.735 18.650 -22.072 1.00 0.00 H new ATOM 0 HB3 LYS A 50 49.275 17.053 -22.553 1.00 0.00 H new ATOM 0 HG2 LYS A 50 49.832 16.584 -20.098 1.00 0.00 H new ATOM 0 HG3 LYS A 50 49.093 18.119 -19.689 1.00 0.00 H new ATOM 0 HD2 LYS A 50 47.634 15.936 -21.260 1.00 0.00 H new ATOM 0 HD3 LYS A 50 47.540 16.079 -19.516 1.00 0.00 H new ATOM 0 HE2 LYS A 50 46.747 18.254 -21.520 1.00 0.00 H new ATOM 0 HE3 LYS A 50 45.631 17.255 -20.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 45.741 18.918 -19.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 47.214 18.219 -18.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 47.203 19.527 -19.731 1.00 0.00 H new ATOM 750 N ARG A 51 50.977 19.805 -23.755 1.00 0.00 N ATOM 751 CA ARG A 51 51.327 20.182 -25.121 1.00 0.00 C ATOM 752 C ARG A 51 52.809 19.936 -25.390 1.00 0.00 C ATOM 753 O ARG A 51 53.219 19.764 -26.537 1.00 0.00 O ATOM 754 CB ARG A 51 51.000 21.660 -25.355 1.00 0.00 C ATOM 755 CG ARG A 51 51.973 22.537 -24.563 1.00 0.00 C ATOM 756 CD ARG A 51 51.540 24.000 -24.668 1.00 0.00 C ATOM 757 NE ARG A 51 52.494 24.861 -23.974 1.00 0.00 N ATOM 758 CZ ARG A 51 52.472 25.008 -22.648 1.00 0.00 C ATOM 759 NH1 ARG A 51 51.589 24.375 -21.917 1.00 0.00 N ATOM 760 NH2 ARG A 51 53.341 25.793 -22.072 1.00 0.00 N ATOM 0 H ARG A 51 50.490 20.529 -23.226 1.00 0.00 H new ATOM 0 HA ARG A 51 50.743 19.567 -25.805 1.00 0.00 H new ATOM 0 HB2 ARG A 51 51.068 21.893 -26.418 1.00 0.00 H new ATOM 0 HB3 ARG A 51 49.975 21.868 -25.048 1.00 0.00 H new ATOM 0 HG2 ARG A 51 51.992 22.226 -23.518 1.00 0.00 H new ATOM 0 HG3 ARG A 51 52.985 22.417 -24.950 1.00 0.00 H new ATOM 0 HD2 ARG A 51 51.471 24.292 -25.716 1.00 0.00 H new ATOM 0 HD3 ARG A 51 50.547 24.124 -24.237 1.00 0.00 H new ATOM 0 HE ARG A 51 53.196 25.363 -24.518 1.00 0.00 H new ATOM 0 HH11 ARG A 51 50.906 23.760 -22.360 1.00 0.00 H new ATOM 0 HH12 ARG A 51 51.584 24.497 -20.904 1.00 0.00 H new ATOM 0 HH21 ARG A 51 54.031 26.290 -22.635 1.00 0.00 H new ATOM 0 HH22 ARG A 51 53.330 25.910 -21.059 1.00 0.00 H new ATOM 774 N ASN A 52 53.608 19.920 -24.330 1.00 0.00 N ATOM 775 CA ASN A 52 55.041 19.692 -24.472 1.00 0.00 C ATOM 776 C ASN A 52 55.309 18.311 -25.063 1.00 0.00 C ATOM 777 O ASN A 52 56.211 18.139 -25.883 1.00 0.00 O ATOM 778 CB ASN A 52 55.726 19.805 -23.110 1.00 0.00 C ATOM 779 CG ASN A 52 57.224 19.561 -23.258 1.00 0.00 C ATOM 780 OD1 ASN A 52 57.933 20.384 -23.839 1.00 0.00 O ATOM 781 ND2 ASN A 52 57.750 18.472 -22.769 1.00 0.00 N ATOM 0 H ASN A 52 53.292 20.061 -23.371 1.00 0.00 H new ATOM 0 HA ASN A 52 55.444 20.448 -25.146 1.00 0.00 H new ATOM 0 HB2 ASN A 52 55.550 20.794 -22.686 1.00 0.00 H new ATOM 0 HB3 ASN A 52 55.298 19.081 -22.417 1.00 0.00 H new ATOM 0 HD21 ASN A 52 58.751 18.300 -22.867 1.00 0.00 H new ATOM 0 HD22 ASN A 52 57.161 17.792 -22.288 1.00 0.00 H new ATOM 788 N ALA A 53 54.522 17.329 -24.635 1.00 0.00 N ATOM 789 CA ALA A 53 54.683 15.964 -25.123 1.00 0.00 C ATOM 790 C ALA A 53 54.460 15.896 -26.631 1.00 0.00 C ATOM 791 O ALA A 53 55.253 15.300 -27.359 1.00 0.00 O ATOM 792 CB ALA A 53 53.690 15.039 -24.418 1.00 0.00 C ATOM 0 H ALA A 53 53.771 17.451 -23.956 1.00 0.00 H new ATOM 0 HA ALA A 53 55.702 15.642 -24.906 1.00 0.00 H new ATOM 0 HB1 ALA A 53 53.816 14.021 -24.787 1.00 0.00 H new ATOM 0 HB2 ALA A 53 53.872 15.060 -23.344 1.00 0.00 H new ATOM 0 HB3 ALA A 53 52.673 15.375 -24.620 1.00 0.00 H new ATOM 798 N VAL A 54 53.376 16.511 -27.092 1.00 0.00 N ATOM 799 CA VAL A 54 53.054 16.516 -28.517 1.00 0.00 C ATOM 800 C VAL A 54 53.967 17.473 -29.280 1.00 0.00 C ATOM 801 O VAL A 54 54.143 17.343 -30.491 1.00 0.00 O ATOM 802 CB VAL A 54 51.591 16.930 -28.715 1.00 0.00 C ATOM 803 CG1 VAL A 54 51.511 18.416 -29.079 1.00 0.00 C ATOM 804 CG2 VAL A 54 50.978 16.096 -29.843 1.00 0.00 C ATOM 0 H VAL A 54 52.708 17.010 -26.505 1.00 0.00 H new ATOM 0 HA VAL A 54 53.207 15.510 -28.907 1.00 0.00 H new ATOM 0 HB VAL A 54 51.042 16.760 -27.789 1.00 0.00 H new ATOM 0 HG11 VAL A 54 50.468 18.701 -29.218 1.00 0.00 H new ATOM 0 HG12 VAL A 54 51.946 19.011 -28.276 1.00 0.00 H new ATOM 0 HG13 VAL A 54 52.062 18.595 -30.002 1.00 0.00 H new ATOM 0 HG21 VAL A 54 49.938 16.387 -29.987 1.00 0.00 H new ATOM 0 HG22 VAL A 54 51.534 16.267 -30.765 1.00 0.00 H new ATOM 0 HG23 VAL A 54 51.026 15.039 -29.581 1.00 0.00 H new ATOM 814 N GLU A 55 54.542 18.436 -28.565 1.00 0.00 N ATOM 815 CA GLU A 55 55.429 19.407 -29.194 1.00 0.00 C ATOM 816 C GLU A 55 56.734 18.742 -29.622 1.00 0.00 C ATOM 817 O GLU A 55 57.167 18.883 -30.765 1.00 0.00 O ATOM 818 CB GLU A 55 55.725 20.553 -28.224 1.00 0.00 C ATOM 819 CG GLU A 55 56.388 21.706 -28.980 1.00 0.00 C ATOM 820 CD GLU A 55 57.881 21.436 -29.149 1.00 0.00 C ATOM 821 OE1 GLU A 55 58.450 20.792 -28.283 1.00 0.00 O ATOM 822 OE2 GLU A 55 58.433 21.878 -30.144 1.00 0.00 O ATOM 0 H GLU A 55 54.411 18.564 -27.561 1.00 0.00 H new ATOM 0 HA GLU A 55 54.933 19.805 -30.079 1.00 0.00 H new ATOM 0 HB2 GLU A 55 54.802 20.895 -27.756 1.00 0.00 H new ATOM 0 HB3 GLU A 55 56.378 20.206 -27.424 1.00 0.00 H new ATOM 0 HG2 GLU A 55 55.920 21.827 -29.957 1.00 0.00 H new ATOM 0 HG3 GLU A 55 56.239 22.640 -28.438 1.00 0.00 H new ATOM 829 N VAL A 56 57.359 18.021 -28.696 1.00 0.00 N ATOM 830 CA VAL A 56 58.617 17.345 -28.991 1.00 0.00 C ATOM 831 C VAL A 56 58.388 16.144 -29.907 1.00 0.00 C ATOM 832 O VAL A 56 59.242 15.808 -30.726 1.00 0.00 O ATOM 833 CB VAL A 56 59.281 16.883 -27.692 1.00 0.00 C ATOM 834 CG1 VAL A 56 58.477 15.735 -27.080 1.00 0.00 C ATOM 835 CG2 VAL A 56 60.704 16.404 -27.991 1.00 0.00 C ATOM 0 H VAL A 56 57.018 17.891 -27.743 1.00 0.00 H new ATOM 0 HA VAL A 56 59.271 18.051 -29.502 1.00 0.00 H new ATOM 0 HB VAL A 56 59.314 17.715 -26.989 1.00 0.00 H new ATOM 0 HG11 VAL A 56 58.954 15.409 -26.155 1.00 0.00 H new ATOM 0 HG12 VAL A 56 57.463 16.074 -26.866 1.00 0.00 H new ATOM 0 HG13 VAL A 56 58.440 14.902 -27.782 1.00 0.00 H new ATOM 0 HG21 VAL A 56 61.179 16.074 -27.067 1.00 0.00 H new ATOM 0 HG22 VAL A 56 60.668 15.574 -28.696 1.00 0.00 H new ATOM 0 HG23 VAL A 56 61.280 17.222 -28.423 1.00 0.00 H new ATOM 845 N LEU A 57 57.234 15.499 -29.760 1.00 0.00 N ATOM 846 CA LEU A 57 56.918 14.334 -30.582 1.00 0.00 C ATOM 847 C LEU A 57 56.810 14.727 -32.052 1.00 0.00 C ATOM 848 O LEU A 57 57.302 14.017 -32.930 1.00 0.00 O ATOM 849 CB LEU A 57 55.605 13.694 -30.123 1.00 0.00 C ATOM 850 CG LEU A 57 55.900 12.390 -29.378 1.00 0.00 C ATOM 851 CD1 LEU A 57 56.277 12.699 -27.928 1.00 0.00 C ATOM 852 CD2 LEU A 57 54.655 11.499 -29.402 1.00 0.00 C ATOM 0 H LEU A 57 56.511 15.758 -29.089 1.00 0.00 H new ATOM 0 HA LEU A 57 57.726 13.611 -30.467 1.00 0.00 H new ATOM 0 HB2 LEU A 57 55.062 14.381 -29.473 1.00 0.00 H new ATOM 0 HB3 LEU A 57 54.965 13.496 -30.983 1.00 0.00 H new ATOM 0 HG LEU A 57 56.729 11.875 -29.864 1.00 0.00 H new ATOM 0 HD11 LEU A 57 56.486 11.769 -27.400 1.00 0.00 H new ATOM 0 HD12 LEU A 57 57.163 13.334 -27.910 1.00 0.00 H new ATOM 0 HD13 LEU A 57 55.451 13.215 -27.439 1.00 0.00 H new ATOM 0 HD21 LEU A 57 54.863 10.569 -28.872 1.00 0.00 H new ATOM 0 HD22 LEU A 57 53.828 12.017 -28.916 1.00 0.00 H new ATOM 0 HD23 LEU A 57 54.387 11.276 -30.435 1.00 0.00 H new ATOM 864 N LYS A 58 56.167 15.859 -32.315 1.00 0.00 N ATOM 865 CA LYS A 58 56.006 16.333 -33.685 1.00 0.00 C ATOM 866 C LYS A 58 57.367 16.603 -34.320 1.00 0.00 C ATOM 867 O LYS A 58 57.605 16.257 -35.477 1.00 0.00 O ATOM 868 CB LYS A 58 55.173 17.616 -33.698 1.00 0.00 C ATOM 869 CG LYS A 58 53.705 17.278 -33.429 1.00 0.00 C ATOM 870 CD LYS A 58 53.060 16.751 -34.712 1.00 0.00 C ATOM 871 CE LYS A 58 51.553 16.592 -34.499 1.00 0.00 C ATOM 872 NZ LYS A 58 51.298 15.442 -33.586 1.00 0.00 N ATOM 0 H LYS A 58 55.752 16.461 -31.604 1.00 0.00 H new ATOM 0 HA LYS A 58 55.494 15.561 -34.260 1.00 0.00 H new ATOM 0 HB2 LYS A 58 55.542 18.309 -32.941 1.00 0.00 H new ATOM 0 HB3 LYS A 58 55.271 18.115 -34.662 1.00 0.00 H new ATOM 0 HG2 LYS A 58 53.632 16.531 -32.639 1.00 0.00 H new ATOM 0 HG3 LYS A 58 53.175 18.164 -33.080 1.00 0.00 H new ATOM 0 HD2 LYS A 58 53.251 17.438 -35.536 1.00 0.00 H new ATOM 0 HD3 LYS A 58 53.502 15.793 -34.987 1.00 0.00 H new ATOM 0 HE2 LYS A 58 51.137 17.506 -34.075 1.00 0.00 H new ATOM 0 HE3 LYS A 58 51.055 16.428 -35.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 50.717 14.732 -34.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 52.203 15.014 -33.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 50.795 15.776 -32.739 1.00 0.00 H new ATOM 886 N ARG A 59 58.255 17.224 -33.550 1.00 0.00 N ATOM 887 CA ARG A 59 59.593 17.541 -34.037 1.00 0.00 C ATOM 888 C ARG A 59 60.431 16.273 -34.172 1.00 0.00 C ATOM 889 O ARG A 59 61.257 16.158 -35.077 1.00 0.00 O ATOM 890 CB ARG A 59 60.282 18.510 -33.075 1.00 0.00 C ATOM 891 CG ARG A 59 61.550 19.063 -33.727 1.00 0.00 C ATOM 892 CD ARG A 59 62.766 18.281 -33.227 1.00 0.00 C ATOM 893 NE ARG A 59 63.995 18.871 -33.748 1.00 0.00 N ATOM 894 CZ ARG A 59 65.198 18.409 -33.401 1.00 0.00 C ATOM 895 NH1 ARG A 59 65.316 17.401 -32.574 1.00 0.00 N ATOM 896 NH2 ARG A 59 66.270 18.968 -33.893 1.00 0.00 N ATOM 0 H ARG A 59 58.073 17.517 -32.590 1.00 0.00 H new ATOM 0 HA ARG A 59 59.500 18.006 -35.018 1.00 0.00 H new ATOM 0 HB2 ARG A 59 59.607 19.326 -32.819 1.00 0.00 H new ATOM 0 HB3 ARG A 59 60.532 17.999 -32.145 1.00 0.00 H new ATOM 0 HG2 ARG A 59 61.476 18.986 -34.812 1.00 0.00 H new ATOM 0 HG3 ARG A 59 61.662 20.121 -33.489 1.00 0.00 H new ATOM 0 HD2 ARG A 59 62.786 18.284 -32.137 1.00 0.00 H new ATOM 0 HD3 ARG A 59 62.692 17.240 -33.541 1.00 0.00 H new ATOM 0 HE ARG A 59 63.933 19.657 -34.395 1.00 0.00 H new ATOM 0 HH11 ARG A 59 64.482 16.959 -32.187 1.00 0.00 H new ATOM 0 HH12 ARG A 59 66.242 17.058 -32.317 1.00 0.00 H new ATOM 0 HH21 ARG A 59 66.185 19.753 -34.539 1.00 0.00 H new ATOM 0 HH22 ARG A 59 67.192 18.620 -33.632 1.00 0.00 H new ATOM 910 N GLU A 60 60.215 15.328 -33.264 1.00 0.00 N ATOM 911 CA GLU A 60 60.960 14.074 -33.288 1.00 0.00 C ATOM 912 C GLU A 60 60.517 13.209 -34.471 1.00 0.00 C ATOM 913 O GLU A 60 59.411 13.373 -34.985 1.00 0.00 O ATOM 914 CB GLU A 60 60.733 13.312 -31.979 1.00 0.00 C ATOM 915 CG GLU A 60 61.595 13.922 -30.871 1.00 0.00 C ATOM 916 CD GLU A 60 63.073 13.688 -31.167 1.00 0.00 C ATOM 917 OE1 GLU A 60 63.458 12.536 -31.279 1.00 0.00 O ATOM 918 OE2 GLU A 60 63.797 14.663 -31.277 1.00 0.00 O ATOM 0 H GLU A 60 59.535 15.405 -32.507 1.00 0.00 H new ATOM 0 HA GLU A 60 62.020 14.301 -33.398 1.00 0.00 H new ATOM 0 HB2 GLU A 60 59.680 13.355 -31.700 1.00 0.00 H new ATOM 0 HB3 GLU A 60 60.985 12.260 -32.111 1.00 0.00 H new ATOM 0 HG2 GLU A 60 61.397 14.991 -30.792 1.00 0.00 H new ATOM 0 HG3 GLU A 60 61.334 13.478 -29.910 1.00 0.00 H new ATOM 925 N PRO A 61 61.353 12.299 -34.910 1.00 0.00 N ATOM 926 CA PRO A 61 61.032 11.397 -36.057 1.00 0.00 C ATOM 927 C PRO A 61 60.015 10.314 -35.692 1.00 0.00 C ATOM 928 O PRO A 61 59.584 9.544 -36.550 1.00 0.00 O ATOM 929 CB PRO A 61 62.382 10.772 -36.411 1.00 0.00 C ATOM 930 CG PRO A 61 63.176 10.807 -35.149 1.00 0.00 C ATOM 931 CD PRO A 61 62.696 12.027 -34.364 1.00 0.00 C ATOM 0 HA PRO A 61 60.572 11.942 -36.881 1.00 0.00 H new ATOM 0 HB2 PRO A 61 62.260 9.750 -36.771 1.00 0.00 H new ATOM 0 HB3 PRO A 61 62.879 11.332 -37.204 1.00 0.00 H new ATOM 0 HG2 PRO A 61 63.029 9.893 -34.573 1.00 0.00 H new ATOM 0 HG3 PRO A 61 64.242 10.880 -35.364 1.00 0.00 H new ATOM 0 HD2 PRO A 61 62.658 11.823 -33.294 1.00 0.00 H new ATOM 0 HD3 PRO A 61 63.363 12.878 -34.503 1.00 0.00 H new ATOM 939 N LEU A 62 59.641 10.252 -34.415 1.00 0.00 N ATOM 940 CA LEU A 62 58.685 9.250 -33.960 1.00 0.00 C ATOM 941 C LEU A 62 57.363 9.390 -34.710 1.00 0.00 C ATOM 942 O LEU A 62 56.742 8.395 -35.082 1.00 0.00 O ATOM 943 CB LEU A 62 58.449 9.401 -32.454 1.00 0.00 C ATOM 944 CG LEU A 62 57.451 8.343 -31.970 1.00 0.00 C ATOM 945 CD1 LEU A 62 58.044 6.946 -32.166 1.00 0.00 C ATOM 946 CD2 LEU A 62 57.158 8.566 -30.485 1.00 0.00 C ATOM 0 H LEU A 62 59.982 10.878 -33.685 1.00 0.00 H new ATOM 0 HA LEU A 62 59.096 8.261 -34.162 1.00 0.00 H new ATOM 0 HB2 LEU A 62 59.392 9.295 -31.918 1.00 0.00 H new ATOM 0 HB3 LEU A 62 58.068 10.399 -32.236 1.00 0.00 H new ATOM 0 HG LEU A 62 56.528 8.427 -32.544 1.00 0.00 H new ATOM 0 HD11 LEU A 62 57.332 6.197 -31.821 1.00 0.00 H new ATOM 0 HD12 LEU A 62 58.256 6.786 -33.223 1.00 0.00 H new ATOM 0 HD13 LEU A 62 58.968 6.859 -31.594 1.00 0.00 H new ATOM 0 HD21 LEU A 62 56.448 7.815 -30.137 1.00 0.00 H new ATOM 0 HD22 LEU A 62 58.083 8.482 -29.915 1.00 0.00 H new ATOM 0 HD23 LEU A 62 56.733 9.560 -30.343 1.00 0.00 H new ATOM 958 N ASN A 63 56.940 10.631 -34.929 1.00 0.00 N ATOM 959 CA ASN A 63 55.690 10.885 -35.638 1.00 0.00 C ATOM 960 C ASN A 63 55.851 10.630 -37.136 1.00 0.00 C ATOM 961 O ASN A 63 54.864 10.463 -37.853 1.00 0.00 O ATOM 962 CB ASN A 63 55.246 12.332 -35.411 1.00 0.00 C ATOM 963 CG ASN A 63 56.206 13.289 -36.109 1.00 0.00 C ATOM 964 OD1 ASN A 63 57.355 12.935 -36.373 1.00 0.00 O ATOM 965 ND2 ASN A 63 55.801 14.488 -36.427 1.00 0.00 N ATOM 0 H ASN A 63 57.438 11.469 -34.629 1.00 0.00 H new ATOM 0 HA ASN A 63 54.933 10.204 -35.248 1.00 0.00 H new ATOM 0 HB2 ASN A 63 54.235 12.475 -35.793 1.00 0.00 H new ATOM 0 HB3 ASN A 63 55.216 12.548 -34.343 1.00 0.00 H new ATOM 0 HD21 ASN A 63 56.437 15.134 -36.895 1.00 0.00 H new ATOM 0 HD22 ASN A 63 54.849 14.780 -36.207 1.00 0.00 H new ATOM 972 N TYR A 64 57.096 10.602 -37.606 1.00 0.00 N ATOM 973 CA TYR A 64 57.361 10.367 -39.021 1.00 0.00 C ATOM 974 C TYR A 64 57.145 8.898 -39.371 1.00 0.00 C ATOM 975 O TYR A 64 56.661 8.573 -40.455 1.00 0.00 O ATOM 976 CB TYR A 64 58.799 10.767 -39.356 1.00 0.00 C ATOM 977 CG TYR A 64 59.035 10.603 -40.838 1.00 0.00 C ATOM 978 CD1 TYR A 64 58.590 11.585 -41.731 1.00 0.00 C ATOM 979 CD2 TYR A 64 59.700 9.469 -41.320 1.00 0.00 C ATOM 980 CE1 TYR A 64 58.809 11.433 -43.106 1.00 0.00 C ATOM 981 CE2 TYR A 64 59.919 9.317 -42.694 1.00 0.00 C ATOM 982 CZ TYR A 64 59.474 10.298 -43.587 1.00 0.00 C ATOM 983 OH TYR A 64 59.690 10.148 -44.942 1.00 0.00 O ATOM 0 H TYR A 64 57.929 10.738 -37.033 1.00 0.00 H new ATOM 0 HA TYR A 64 56.669 10.973 -39.606 1.00 0.00 H new ATOM 0 HB2 TYR A 64 58.978 11.801 -39.061 1.00 0.00 H new ATOM 0 HB3 TYR A 64 59.500 10.149 -38.795 1.00 0.00 H new ATOM 0 HD1 TYR A 64 58.078 12.460 -41.360 1.00 0.00 H new ATOM 0 HD2 TYR A 64 60.044 8.711 -40.631 1.00 0.00 H new ATOM 0 HE1 TYR A 64 58.465 12.190 -43.795 1.00 0.00 H new ATOM 0 HE2 TYR A 64 60.432 8.442 -43.065 1.00 0.00 H new ATOM 0 HH TYR A 64 60.165 9.307 -45.106 1.00 0.00 H new ATOM 993 N LEU A 65 57.508 8.015 -38.446 1.00 0.00 N ATOM 994 CA LEU A 65 57.349 6.583 -38.668 1.00 0.00 C ATOM 995 C LEU A 65 55.874 6.189 -38.564 1.00 0.00 C ATOM 996 O LEU A 65 55.078 6.909 -37.961 1.00 0.00 O ATOM 997 CB LEU A 65 58.165 5.804 -37.634 1.00 0.00 C ATOM 998 CG LEU A 65 59.655 6.081 -37.841 1.00 0.00 C ATOM 999 CD1 LEU A 65 60.447 5.505 -36.665 1.00 0.00 C ATOM 1000 CD2 LEU A 65 60.124 5.423 -39.142 1.00 0.00 C ATOM 0 H LEU A 65 57.911 8.263 -37.543 1.00 0.00 H new ATOM 0 HA LEU A 65 57.708 6.342 -39.669 1.00 0.00 H new ATOM 0 HB2 LEU A 65 57.867 6.095 -36.627 1.00 0.00 H new ATOM 0 HB3 LEU A 65 57.967 4.736 -37.729 1.00 0.00 H new ATOM 0 HG LEU A 65 59.819 7.157 -37.900 1.00 0.00 H new ATOM 0 HD11 LEU A 65 61.509 5.701 -36.811 1.00 0.00 H new ATOM 0 HD12 LEU A 65 60.115 5.974 -35.738 1.00 0.00 H new ATOM 0 HD13 LEU A 65 60.282 4.429 -36.607 1.00 0.00 H new ATOM 0 HD21 LEU A 65 61.186 5.621 -39.288 1.00 0.00 H new ATOM 0 HD22 LEU A 65 59.960 4.347 -39.085 1.00 0.00 H new ATOM 0 HD23 LEU A 65 59.560 5.832 -39.980 1.00 0.00 H new ATOM 1012 N PRO A 66 55.495 5.070 -39.133 1.00 0.00 N ATOM 1013 CA PRO A 66 54.080 4.592 -39.092 1.00 0.00 C ATOM 1014 C PRO A 66 53.539 4.524 -37.666 1.00 0.00 C ATOM 1015 O PRO A 66 54.245 4.121 -36.742 1.00 0.00 O ATOM 1016 CB PRO A 66 54.142 3.195 -39.716 1.00 0.00 C ATOM 1017 CG PRO A 66 55.378 3.186 -40.550 1.00 0.00 C ATOM 1018 CD PRO A 66 56.362 4.140 -39.876 1.00 0.00 C ATOM 0 HA PRO A 66 53.408 5.268 -39.621 1.00 0.00 H new ATOM 0 HB2 PRO A 66 54.182 2.423 -38.947 1.00 0.00 H new ATOM 0 HB3 PRO A 66 53.258 2.996 -40.322 1.00 0.00 H new ATOM 0 HG2 PRO A 66 55.795 2.181 -40.615 1.00 0.00 H new ATOM 0 HG3 PRO A 66 55.161 3.508 -41.569 1.00 0.00 H new ATOM 0 HD2 PRO A 66 57.042 3.609 -39.210 1.00 0.00 H new ATOM 0 HD3 PRO A 66 56.977 4.664 -40.608 1.00 0.00 H new