USER MOD reduce.3.24.130724 H: found=0, std=0, add=465, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 459 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 47 ASN : amide:sc= 1.23 K(o=2,f=-3.7!) USER MOD Set 1.2: A 49 THR OG1 : rot 100:sc= 0.82 USER MOD Set 2.1: A 3 LYS NZ :NH3+ -113:sc= 0.00987 (180deg=-0.323) USER MOD Set 2.2: A 29 TYR OH : rot 178:sc= 1.27 USER MOD Set 3.1: A 9 SER OG : rot -27:sc= 1.19 USER MOD Set 3.2: A 10 HIS : no HE2:sc= 0.0124 K(o=1.2,f=-0.42) USER MOD Single : A 1 LEU N :NH3+ -115:sc= 0.0124 (180deg=-1.17) USER MOD Single : A 2 THR OG1 : rot -67:sc= 1.22 USER MOD Single : A 5 GLN : amide:sc= -0.03 K(o=-0.03,f=-0.68) USER MOD Single : A 15 HIS : no HE2:sc= 0.359 K(o=0.36,f=-5.7!) USER MOD Single : A 18 SER OG : rot 82:sc= 1.23 USER MOD Single : A 22 LYS NZ :NH3+ 175:sc= 0.783 (180deg=0.751) USER MOD Single : A 26 ASN : amide:sc=0.000288 K(o=0.00029,f=-0.87) USER MOD Single : A 28 ASN : amide:sc= 0.949 K(o=0.95,f=0) USER MOD Single : A 33 GLN : amide:sc= 2.76 K(o=2.8,f=-6.3!) USER MOD Single : A 35 TYR OH : rot -14:sc= 1.14 USER MOD Single : A 37 SER OG : rot -141:sc= 1.28 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 THR OG1 : rot -92:sc= 1.87 USER MOD Single : A 56 SER OG : rot 180:sc= -0.0192 USER MOD Single : A 59 HIS : no HD1:sc= -0.23 K(o=-0.23,f=-0.77) USER MOD Single : A 60 HIS : no HE2:sc= -2.06 K(o=-2.1,f=-5.3!) USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 63 SER OG : rot 44:sc= 0.918 USER MOD Single : A 65 SER OG : rot 16:sc= 1.15 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 12.097 11.254 -0.830 1.00 0.00 N ATOM 2 CA LEU A 1 11.627 9.941 -0.407 1.00 0.00 C ATOM 3 C LEU A 1 10.905 10.012 0.950 1.00 0.00 C ATOM 4 O LEU A 1 10.945 11.039 1.627 1.00 0.00 O ATOM 5 CB LEU A 1 12.804 8.937 -0.420 1.00 0.00 C ATOM 6 CG LEU A 1 13.721 8.899 0.823 1.00 0.00 C ATOM 7 CD1 LEU A 1 14.744 7.771 0.660 1.00 0.00 C ATOM 8 CD2 LEU A 1 14.482 10.206 1.064 1.00 0.00 C ATOM 0 H1 LEU A 1 11.594 11.541 -1.694 1.00 0.00 H new ATOM 0 H2 LEU A 1 11.915 11.947 -0.077 1.00 0.00 H new ATOM 0 H3 LEU A 1 13.118 11.212 -1.022 1.00 0.00 H new ATOM 0 HA LEU A 1 10.882 9.579 -1.115 1.00 0.00 H new ATOM 0 HB2 LEU A 1 12.393 7.938 -0.566 1.00 0.00 H new ATOM 0 HB3 LEU A 1 13.424 9.156 -1.289 1.00 0.00 H new ATOM 0 HG LEU A 1 13.070 8.738 1.682 1.00 0.00 H new ATOM 0 HD11 LEU A 1 15.394 7.740 1.535 1.00 0.00 H new ATOM 0 HD12 LEU A 1 14.223 6.819 0.561 1.00 0.00 H new ATOM 0 HD13 LEU A 1 15.344 7.950 -0.232 1.00 0.00 H new ATOM 0 HD21 LEU A 1 15.105 10.106 1.953 1.00 0.00 H new ATOM 0 HD22 LEU A 1 15.112 10.424 0.202 1.00 0.00 H new ATOM 0 HD23 LEU A 1 13.771 11.019 1.209 1.00 0.00 H new ATOM 20 N THR A 2 10.275 8.906 1.359 1.00 0.00 N ATOM 21 CA THR A 2 9.717 8.699 2.699 1.00 0.00 C ATOM 22 C THR A 2 9.850 7.227 3.105 1.00 0.00 C ATOM 23 O THR A 2 10.323 6.399 2.319 1.00 0.00 O ATOM 24 CB THR A 2 8.230 9.108 2.814 1.00 0.00 C ATOM 25 OG1 THR A 2 7.409 8.177 2.142 1.00 0.00 O ATOM 26 CG2 THR A 2 7.892 10.521 2.339 1.00 0.00 C ATOM 0 H THR A 2 10.135 8.103 0.745 1.00 0.00 H new ATOM 0 HA THR A 2 10.291 9.343 3.366 1.00 0.00 H new ATOM 0 HB THR A 2 8.032 9.108 3.886 1.00 0.00 H new ATOM 0 HG1 THR A 2 7.580 8.226 1.178 1.00 0.00 H new ATOM 0 HG21 THR A 2 6.824 10.701 2.465 1.00 0.00 H new ATOM 0 HG22 THR A 2 8.454 11.247 2.927 1.00 0.00 H new ATOM 0 HG23 THR A 2 8.156 10.624 1.286 1.00 0.00 H new ATOM 34 N LYS A 3 9.356 6.885 4.306 1.00 0.00 N ATOM 35 CA LYS A 3 9.179 5.512 4.791 1.00 0.00 C ATOM 36 C LYS A 3 8.496 4.608 3.752 1.00 0.00 C ATOM 37 O LYS A 3 8.866 3.441 3.648 1.00 0.00 O ATOM 38 CB LYS A 3 8.400 5.559 6.116 1.00 0.00 C ATOM 39 CG LYS A 3 8.331 4.192 6.815 1.00 0.00 C ATOM 40 CD LYS A 3 7.531 4.294 8.122 1.00 0.00 C ATOM 41 CE LYS A 3 7.302 2.918 8.754 1.00 0.00 C ATOM 42 NZ LYS A 3 6.294 2.139 8.009 1.00 0.00 N ATOM 0 H LYS A 3 9.059 7.583 4.988 1.00 0.00 H new ATOM 0 HA LYS A 3 10.159 5.065 4.962 1.00 0.00 H new ATOM 0 HB2 LYS A 3 8.871 6.280 6.784 1.00 0.00 H new ATOM 0 HB3 LYS A 3 7.388 5.916 5.925 1.00 0.00 H new ATOM 0 HG2 LYS A 3 7.865 3.462 6.153 1.00 0.00 H new ATOM 0 HG3 LYS A 3 9.339 3.834 7.026 1.00 0.00 H new ATOM 0 HD2 LYS A 3 8.063 4.934 8.826 1.00 0.00 H new ATOM 0 HD3 LYS A 3 6.570 4.768 7.924 1.00 0.00 H new ATOM 0 HE2 LYS A 3 8.242 2.367 8.779 1.00 0.00 H new ATOM 0 HE3 LYS A 3 6.977 3.041 9.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 5.447 2.013 8.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 6.037 2.647 7.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 6.687 1.208 7.763 1.00 0.00 H new ATOM 56 N CYS A 4 7.585 5.151 2.930 1.00 0.00 N ATOM 57 CA CYS A 4 7.012 4.441 1.789 1.00 0.00 C ATOM 58 C CYS A 4 8.105 3.973 0.822 1.00 0.00 C ATOM 59 O CYS A 4 8.366 2.778 0.720 1.00 0.00 O ATOM 60 CB CYS A 4 5.973 5.322 1.083 1.00 0.00 C ATOM 61 SG CYS A 4 5.028 4.424 -0.168 1.00 0.00 S ATOM 0 H CYS A 4 7.227 6.099 3.043 1.00 0.00 H new ATOM 0 HA CYS A 4 6.506 3.548 2.156 1.00 0.00 H new ATOM 0 HB2 CYS A 4 5.287 5.733 1.824 1.00 0.00 H new ATOM 0 HB3 CYS A 4 6.478 6.166 0.614 1.00 0.00 H new ATOM 66 N GLN A 5 8.764 4.919 0.141 1.00 0.00 N ATOM 67 CA GLN A 5 9.804 4.650 -0.856 1.00 0.00 C ATOM 68 C GLN A 5 10.923 3.772 -0.288 1.00 0.00 C ATOM 69 O GLN A 5 11.375 2.849 -0.961 1.00 0.00 O ATOM 70 CB GLN A 5 10.374 5.988 -1.349 1.00 0.00 C ATOM 71 CG GLN A 5 9.428 6.766 -2.274 1.00 0.00 C ATOM 72 CD GLN A 5 9.344 6.174 -3.679 1.00 0.00 C ATOM 73 OE1 GLN A 5 8.770 5.121 -3.906 1.00 0.00 O ATOM 74 NE2 GLN A 5 9.893 6.835 -4.680 1.00 0.00 N ATOM 0 H GLN A 5 8.584 5.914 0.272 1.00 0.00 H new ATOM 0 HA GLN A 5 9.358 4.102 -1.686 1.00 0.00 H new ATOM 0 HB2 GLN A 5 10.614 6.609 -0.486 1.00 0.00 H new ATOM 0 HB3 GLN A 5 11.309 5.801 -1.877 1.00 0.00 H new ATOM 0 HG2 GLN A 5 8.431 6.783 -1.833 1.00 0.00 H new ATOM 0 HG3 GLN A 5 9.765 7.800 -2.341 1.00 0.00 H new ATOM 0 HE21 GLN A 5 10.376 7.716 -4.505 1.00 0.00 H new ATOM 0 HE22 GLN A 5 9.835 6.465 -5.629 1.00 0.00 H new ATOM 83 N GLU A 6 11.312 4.018 0.969 1.00 0.00 N ATOM 84 CA GLU A 6 12.257 3.199 1.721 1.00 0.00 C ATOM 85 C GLU A 6 11.778 1.748 1.771 1.00 0.00 C ATOM 86 O GLU A 6 12.457 0.878 1.233 1.00 0.00 O ATOM 87 CB GLU A 6 12.416 3.775 3.130 1.00 0.00 C ATOM 88 CG GLU A 6 13.178 5.112 3.139 1.00 0.00 C ATOM 89 CD GLU A 6 12.914 5.929 4.407 1.00 0.00 C ATOM 90 OE1 GLU A 6 12.821 5.311 5.491 1.00 0.00 O ATOM 91 OE2 GLU A 6 12.789 7.167 4.273 1.00 0.00 O ATOM 0 H GLU A 6 10.965 4.816 1.502 1.00 0.00 H new ATOM 0 HA GLU A 6 13.228 3.212 1.225 1.00 0.00 H new ATOM 0 HB2 GLU A 6 11.431 3.919 3.573 1.00 0.00 H new ATOM 0 HB3 GLU A 6 12.944 3.055 3.755 1.00 0.00 H new ATOM 0 HG2 GLU A 6 14.247 4.918 3.052 1.00 0.00 H new ATOM 0 HG3 GLU A 6 12.888 5.698 2.266 1.00 0.00 H new ATOM 98 N GLU A 7 10.594 1.489 2.342 1.00 0.00 N ATOM 99 CA GLU A 7 10.017 0.143 2.423 1.00 0.00 C ATOM 100 C GLU A 7 9.929 -0.525 1.047 1.00 0.00 C ATOM 101 O GLU A 7 10.376 -1.664 0.894 1.00 0.00 O ATOM 102 CB GLU A 7 8.619 0.182 3.061 1.00 0.00 C ATOM 103 CG GLU A 7 8.648 0.348 4.584 1.00 0.00 C ATOM 104 CD GLU A 7 7.232 0.444 5.154 1.00 0.00 C ATOM 105 OE1 GLU A 7 6.505 1.396 4.780 1.00 0.00 O ATOM 106 OE2 GLU A 7 6.883 -0.432 5.974 1.00 0.00 O ATOM 0 H GLU A 7 10.008 2.211 2.762 1.00 0.00 H new ATOM 0 HA GLU A 7 10.685 -0.448 3.050 1.00 0.00 H new ATOM 0 HB2 GLU A 7 8.052 1.004 2.624 1.00 0.00 H new ATOM 0 HB3 GLU A 7 8.089 -0.738 2.813 1.00 0.00 H new ATOM 0 HG2 GLU A 7 9.169 -0.497 5.035 1.00 0.00 H new ATOM 0 HG3 GLU A 7 9.210 1.245 4.845 1.00 0.00 H new ATOM 113 N VAL A 8 9.402 0.184 0.039 1.00 0.00 N ATOM 114 CA VAL A 8 9.286 -0.345 -1.330 1.00 0.00 C ATOM 115 C VAL A 8 10.662 -0.731 -1.897 1.00 0.00 C ATOM 116 O VAL A 8 10.774 -1.733 -2.604 1.00 0.00 O ATOM 117 CB VAL A 8 8.532 0.625 -2.268 1.00 0.00 C ATOM 118 CG1 VAL A 8 8.304 0.043 -3.671 1.00 0.00 C ATOM 119 CG2 VAL A 8 7.120 0.914 -1.749 1.00 0.00 C ATOM 0 H VAL A 8 9.046 1.134 0.147 1.00 0.00 H new ATOM 0 HA VAL A 8 8.686 -1.253 -1.274 1.00 0.00 H new ATOM 0 HB VAL A 8 9.164 1.512 -2.303 1.00 0.00 H new ATOM 0 HG11 VAL A 8 7.770 0.769 -4.284 1.00 0.00 H new ATOM 0 HG12 VAL A 8 9.266 -0.184 -4.132 1.00 0.00 H new ATOM 0 HG13 VAL A 8 7.714 -0.870 -3.595 1.00 0.00 H new ATOM 0 HG21 VAL A 8 6.615 1.599 -2.430 1.00 0.00 H new ATOM 0 HG22 VAL A 8 6.557 -0.017 -1.688 1.00 0.00 H new ATOM 0 HG23 VAL A 8 7.182 1.366 -0.759 1.00 0.00 H new ATOM 129 N SER A 9 11.715 0.012 -1.535 1.00 0.00 N ATOM 130 CA SER A 9 13.122 -0.274 -1.852 1.00 0.00 C ATOM 131 C SER A 9 13.828 -1.306 -0.955 1.00 0.00 C ATOM 132 O SER A 9 15.010 -1.582 -1.177 1.00 0.00 O ATOM 133 CB SER A 9 13.918 1.038 -1.840 1.00 0.00 C ATOM 134 OG SER A 9 14.177 1.520 -0.537 1.00 0.00 O ATOM 0 H SER A 9 11.606 0.867 -0.989 1.00 0.00 H new ATOM 0 HA SER A 9 13.097 -0.737 -2.838 1.00 0.00 H new ATOM 0 HB2 SER A 9 14.864 0.886 -2.359 1.00 0.00 H new ATOM 0 HB3 SER A 9 13.367 1.795 -2.398 1.00 0.00 H new ATOM 0 HG SER A 9 13.474 1.211 0.072 1.00 0.00 H new ATOM 140 N HIS A 10 13.168 -1.855 0.075 1.00 0.00 N ATOM 141 CA HIS A 10 13.815 -2.707 1.088 1.00 0.00 C ATOM 142 C HIS A 10 13.096 -4.035 1.354 1.00 0.00 C ATOM 143 O HIS A 10 13.735 -4.994 1.785 1.00 0.00 O ATOM 144 CB HIS A 10 13.976 -1.914 2.394 1.00 0.00 C ATOM 145 CG HIS A 10 14.853 -0.687 2.298 1.00 0.00 C ATOM 146 ND1 HIS A 10 15.814 -0.424 1.346 1.00 0.00 N ATOM 147 CD2 HIS A 10 14.766 0.413 3.106 1.00 0.00 C ATOM 148 CE1 HIS A 10 16.301 0.806 1.592 1.00 0.00 C ATOM 149 NE2 HIS A 10 15.697 1.353 2.660 1.00 0.00 N ATOM 0 H HIS A 10 12.169 -1.722 0.231 1.00 0.00 H new ATOM 0 HA HIS A 10 14.788 -2.984 0.681 1.00 0.00 H new ATOM 0 HB2 HIS A 10 12.988 -1.609 2.739 1.00 0.00 H new ATOM 0 HB3 HIS A 10 14.388 -2.577 3.154 1.00 0.00 H new ATOM 0 HD1 HIS A 10 16.103 -1.048 0.593 1.00 0.00 H new ATOM 0 HD2 HIS A 10 14.094 0.533 3.943 1.00 0.00 H new ATOM 0 HE1 HIS A 10 17.073 1.288 1.010 1.00 0.00 H new ATOM 157 N ILE A 11 11.792 -4.126 1.074 1.00 0.00 N ATOM 158 CA ILE A 11 11.048 -5.392 1.083 1.00 0.00 C ATOM 159 C ILE A 11 11.572 -6.265 -0.081 1.00 0.00 C ATOM 160 O ILE A 11 11.802 -5.742 -1.175 1.00 0.00 O ATOM 161 CB ILE A 11 9.531 -5.083 1.006 1.00 0.00 C ATOM 162 CG1 ILE A 11 9.089 -4.369 2.312 1.00 0.00 C ATOM 163 CG2 ILE A 11 8.661 -6.339 0.806 1.00 0.00 C ATOM 164 CD1 ILE A 11 7.734 -3.670 2.203 1.00 0.00 C ATOM 0 H ILE A 11 11.218 -3.318 0.833 1.00 0.00 H new ATOM 0 HA ILE A 11 11.199 -5.957 2.003 1.00 0.00 H new ATOM 0 HB ILE A 11 9.383 -4.447 0.133 1.00 0.00 H new ATOM 0 HG12 ILE A 11 9.046 -5.101 3.119 1.00 0.00 H new ATOM 0 HG13 ILE A 11 9.846 -3.634 2.588 1.00 0.00 H new ATOM 0 HG21 ILE A 11 7.611 -6.051 0.761 1.00 0.00 H new ATOM 0 HG22 ILE A 11 8.942 -6.832 -0.124 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.814 -7.024 1.640 1.00 0.00 H new ATOM 0 HD11 ILE A 11 7.493 -3.194 3.153 1.00 0.00 H new ATOM 0 HD12 ILE A 11 7.777 -2.914 1.419 1.00 0.00 H new ATOM 0 HD13 ILE A 11 6.965 -4.403 1.959 1.00 0.00 H new ATOM 176 N PRO A 12 11.786 -7.584 0.098 1.00 0.00 N ATOM 177 CA PRO A 12 12.296 -8.441 -0.976 1.00 0.00 C ATOM 178 C PRO A 12 11.283 -8.587 -2.122 1.00 0.00 C ATOM 179 O PRO A 12 10.099 -8.295 -1.965 1.00 0.00 O ATOM 180 CB PRO A 12 12.603 -9.785 -0.303 1.00 0.00 C ATOM 181 CG PRO A 12 11.638 -9.820 0.880 1.00 0.00 C ATOM 182 CD PRO A 12 11.586 -8.357 1.315 1.00 0.00 C ATOM 0 HA PRO A 12 13.184 -8.016 -1.444 1.00 0.00 H new ATOM 0 HB2 PRO A 12 12.436 -10.621 -0.982 1.00 0.00 H new ATOM 0 HB3 PRO A 12 13.641 -9.842 0.024 1.00 0.00 H new ATOM 0 HG2 PRO A 12 10.655 -10.191 0.590 1.00 0.00 H new ATOM 0 HG3 PRO A 12 12.000 -10.467 1.679 1.00 0.00 H new ATOM 0 HD2 PRO A 12 10.629 -8.119 1.779 1.00 0.00 H new ATOM 0 HD3 PRO A 12 12.360 -8.138 2.051 1.00 0.00 H new ATOM 190 N ALA A 13 11.734 -9.082 -3.281 1.00 0.00 N ATOM 191 CA ALA A 13 10.839 -9.476 -4.375 1.00 0.00 C ATOM 192 C ALA A 13 10.037 -10.743 -4.022 1.00 0.00 C ATOM 193 O ALA A 13 8.869 -10.877 -4.383 1.00 0.00 O ATOM 194 CB ALA A 13 11.678 -9.690 -5.640 1.00 0.00 C ATOM 0 H ALA A 13 12.724 -9.220 -3.486 1.00 0.00 H new ATOM 0 HA ALA A 13 10.111 -8.683 -4.546 1.00 0.00 H new ATOM 0 HB1 ALA A 13 11.027 -9.984 -6.463 1.00 0.00 H new ATOM 0 HB2 ALA A 13 12.192 -8.764 -5.897 1.00 0.00 H new ATOM 0 HB3 ALA A 13 12.413 -10.475 -5.461 1.00 0.00 H new ATOM 200 N VAL A 14 10.645 -11.657 -3.256 1.00 0.00 N ATOM 201 CA VAL A 14 10.011 -12.851 -2.697 1.00 0.00 C ATOM 202 C VAL A 14 9.304 -12.446 -1.400 1.00 0.00 C ATOM 203 O VAL A 14 9.797 -12.685 -0.301 1.00 0.00 O ATOM 204 CB VAL A 14 11.029 -13.999 -2.501 1.00 0.00 C ATOM 205 CG1 VAL A 14 10.333 -15.293 -2.050 1.00 0.00 C ATOM 206 CG2 VAL A 14 11.772 -14.315 -3.810 1.00 0.00 C ATOM 0 H VAL A 14 11.629 -11.580 -3.001 1.00 0.00 H new ATOM 0 HA VAL A 14 9.271 -13.249 -3.392 1.00 0.00 H new ATOM 0 HB VAL A 14 11.729 -13.659 -1.738 1.00 0.00 H new ATOM 0 HG11 VAL A 14 11.076 -16.080 -1.921 1.00 0.00 H new ATOM 0 HG12 VAL A 14 9.820 -15.120 -1.104 1.00 0.00 H new ATOM 0 HG13 VAL A 14 9.608 -15.598 -2.805 1.00 0.00 H new ATOM 0 HG21 VAL A 14 12.480 -15.126 -3.640 1.00 0.00 H new ATOM 0 HG22 VAL A 14 11.054 -14.615 -4.573 1.00 0.00 H new ATOM 0 HG23 VAL A 14 12.310 -13.428 -4.146 1.00 0.00 H new ATOM 216 N HIS A 15 8.136 -11.818 -1.551 1.00 0.00 N ATOM 217 CA HIS A 15 7.246 -11.441 -0.442 1.00 0.00 C ATOM 218 C HIS A 15 5.847 -12.115 -0.512 1.00 0.00 C ATOM 219 O HIS A 15 4.817 -11.438 -0.420 1.00 0.00 O ATOM 220 CB HIS A 15 7.247 -9.906 -0.285 1.00 0.00 C ATOM 221 CG HIS A 15 6.528 -9.118 -1.352 1.00 0.00 C ATOM 222 ND1 HIS A 15 5.281 -8.551 -1.221 1.00 0.00 N ATOM 223 CD2 HIS A 15 7.019 -8.751 -2.574 1.00 0.00 C ATOM 224 CE1 HIS A 15 5.028 -7.859 -2.343 1.00 0.00 C ATOM 225 NE2 HIS A 15 6.069 -7.927 -3.185 1.00 0.00 N ATOM 0 H HIS A 15 7.772 -11.550 -2.465 1.00 0.00 H new ATOM 0 HA HIS A 15 7.639 -11.848 0.489 1.00 0.00 H new ATOM 0 HB2 HIS A 15 6.800 -9.662 0.679 1.00 0.00 H new ATOM 0 HB3 HIS A 15 8.283 -9.568 -0.251 1.00 0.00 H new ATOM 0 HD1 HIS A 15 4.661 -8.640 -0.416 1.00 0.00 H new ATOM 0 HD2 HIS A 15 7.970 -9.045 -2.992 1.00 0.00 H new ATOM 0 HE1 HIS A 15 4.112 -7.322 -2.540 1.00 0.00 H new ATOM 233 N PRO A 16 5.764 -13.461 -0.629 1.00 0.00 N ATOM 234 CA PRO A 16 4.488 -14.176 -0.696 1.00 0.00 C ATOM 235 C PRO A 16 3.675 -13.964 0.588 1.00 0.00 C ATOM 236 O PRO A 16 4.233 -13.907 1.689 1.00 0.00 O ATOM 237 CB PRO A 16 4.845 -15.648 -0.922 1.00 0.00 C ATOM 238 CG PRO A 16 6.221 -15.777 -0.275 1.00 0.00 C ATOM 239 CD PRO A 16 6.860 -14.421 -0.567 1.00 0.00 C ATOM 0 HA PRO A 16 3.856 -13.808 -1.504 1.00 0.00 H new ATOM 0 HB2 PRO A 16 4.118 -16.314 -0.458 1.00 0.00 H new ATOM 0 HB3 PRO A 16 4.874 -15.897 -1.983 1.00 0.00 H new ATOM 0 HG2 PRO A 16 6.148 -15.968 0.796 1.00 0.00 H new ATOM 0 HG3 PRO A 16 6.796 -16.596 -0.707 1.00 0.00 H new ATOM 0 HD2 PRO A 16 7.572 -14.150 0.213 1.00 0.00 H new ATOM 0 HD3 PRO A 16 7.411 -14.444 -1.507 1.00 0.00 H new ATOM 247 N GLY A 17 2.358 -13.769 0.431 1.00 0.00 N ATOM 248 CA GLY A 17 1.420 -13.416 1.503 1.00 0.00 C ATOM 249 C GLY A 17 1.824 -12.210 2.367 1.00 0.00 C ATOM 250 O GLY A 17 1.192 -11.964 3.394 1.00 0.00 O ATOM 0 H GLY A 17 1.902 -13.856 -0.477 1.00 0.00 H new ATOM 0 HA2 GLY A 17 0.447 -13.211 1.057 1.00 0.00 H new ATOM 0 HA3 GLY A 17 1.297 -14.282 2.154 1.00 0.00 H new ATOM 254 N SER A 18 2.840 -11.435 1.961 1.00 0.00 N ATOM 255 CA SER A 18 3.503 -10.411 2.771 1.00 0.00 C ATOM 256 C SER A 18 3.386 -9.032 2.113 1.00 0.00 C ATOM 257 O SER A 18 3.496 -8.916 0.888 1.00 0.00 O ATOM 258 CB SER A 18 4.971 -10.817 2.955 1.00 0.00 C ATOM 259 OG SER A 18 5.086 -12.138 3.458 1.00 0.00 O ATOM 0 H SER A 18 3.235 -11.510 1.024 1.00 0.00 H new ATOM 0 HA SER A 18 3.020 -10.339 3.745 1.00 0.00 H new ATOM 0 HB2 SER A 18 5.492 -10.743 2.001 1.00 0.00 H new ATOM 0 HB3 SER A 18 5.459 -10.122 3.639 1.00 0.00 H new ATOM 0 HG SER A 18 4.995 -12.778 2.721 1.00 0.00 H new ATOM 265 N PHE A 19 3.092 -7.997 2.906 1.00 0.00 N ATOM 266 CA PHE A 19 2.738 -6.663 2.410 1.00 0.00 C ATOM 267 C PHE A 19 3.888 -5.944 1.682 1.00 0.00 C ATOM 268 O PHE A 19 5.063 -6.181 1.957 1.00 0.00 O ATOM 269 CB PHE A 19 2.239 -5.816 3.598 1.00 0.00 C ATOM 270 CG PHE A 19 1.887 -4.374 3.257 1.00 0.00 C ATOM 271 CD1 PHE A 19 0.865 -4.103 2.329 1.00 0.00 C ATOM 272 CD2 PHE A 19 2.611 -3.304 3.817 1.00 0.00 C ATOM 273 CE1 PHE A 19 0.568 -2.781 1.958 1.00 0.00 C ATOM 274 CE2 PHE A 19 2.305 -1.979 3.460 1.00 0.00 C ATOM 275 CZ PHE A 19 1.284 -1.717 2.530 1.00 0.00 C ATOM 0 H PHE A 19 3.093 -8.063 3.924 1.00 0.00 H new ATOM 0 HA PHE A 19 1.955 -6.789 1.662 1.00 0.00 H new ATOM 0 HB2 PHE A 19 1.359 -6.298 4.024 1.00 0.00 H new ATOM 0 HB3 PHE A 19 3.007 -5.814 4.371 1.00 0.00 H new ATOM 0 HD1 PHE A 19 0.304 -4.919 1.898 1.00 0.00 H new ATOM 0 HD2 PHE A 19 3.404 -3.502 4.523 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -0.209 -2.583 1.235 1.00 0.00 H new ATOM 0 HE2 PHE A 19 2.855 -1.161 3.901 1.00 0.00 H new ATOM 0 HZ PHE A 19 1.051 -0.699 2.256 1.00 0.00 H new ATOM 285 N ARG A 20 3.516 -5.019 0.784 1.00 0.00 N ATOM 286 CA ARG A 20 4.378 -4.038 0.127 1.00 0.00 C ATOM 287 C ARG A 20 3.550 -2.772 -0.157 1.00 0.00 C ATOM 288 O ARG A 20 2.493 -2.898 -0.779 1.00 0.00 O ATOM 289 CB ARG A 20 4.955 -4.613 -1.174 1.00 0.00 C ATOM 290 CG ARG A 20 6.080 -3.718 -1.710 1.00 0.00 C ATOM 291 CD ARG A 20 6.515 -4.131 -3.121 1.00 0.00 C ATOM 292 NE ARG A 20 7.961 -3.926 -3.282 1.00 0.00 N ATOM 293 CZ ARG A 20 8.897 -4.800 -2.944 1.00 0.00 C ATOM 294 NH1 ARG A 20 8.615 -6.062 -2.705 1.00 0.00 N ATOM 295 NH2 ARG A 20 10.134 -4.392 -2.810 1.00 0.00 N ATOM 0 H ARG A 20 2.545 -4.935 0.482 1.00 0.00 H new ATOM 0 HA ARG A 20 5.217 -3.789 0.777 1.00 0.00 H new ATOM 0 HB2 ARG A 20 5.337 -5.618 -0.995 1.00 0.00 H new ATOM 0 HB3 ARG A 20 4.166 -4.700 -1.921 1.00 0.00 H new ATOM 0 HG2 ARG A 20 5.744 -2.681 -1.722 1.00 0.00 H new ATOM 0 HG3 ARG A 20 6.936 -3.768 -1.037 1.00 0.00 H new ATOM 0 HD2 ARG A 20 6.266 -5.178 -3.295 1.00 0.00 H new ATOM 0 HD3 ARG A 20 5.972 -3.547 -3.864 1.00 0.00 H new ATOM 0 HE ARG A 20 8.268 -3.041 -3.686 1.00 0.00 H new ATOM 0 HH11 ARG A 20 7.653 -6.392 -2.778 1.00 0.00 H new ATOM 0 HH12 ARG A 20 9.359 -6.711 -2.447 1.00 0.00 H new ATOM 0 HH21 ARG A 20 10.367 -3.411 -2.966 1.00 0.00 H new ATOM 0 HH22 ARG A 20 10.864 -5.055 -2.550 1.00 0.00 H new ATOM 309 N PRO A 21 3.976 -1.575 0.290 1.00 0.00 N ATOM 310 CA PRO A 21 3.300 -0.329 -0.055 1.00 0.00 C ATOM 311 C PRO A 21 3.561 0.105 -1.512 1.00 0.00 C ATOM 312 O PRO A 21 4.296 -0.546 -2.254 1.00 0.00 O ATOM 313 CB PRO A 21 3.799 0.686 0.981 1.00 0.00 C ATOM 314 CG PRO A 21 5.179 0.179 1.394 1.00 0.00 C ATOM 315 CD PRO A 21 5.117 -1.329 1.159 1.00 0.00 C ATOM 0 HA PRO A 21 2.215 -0.430 -0.018 1.00 0.00 H new ATOM 0 HB2 PRO A 21 3.857 1.688 0.556 1.00 0.00 H new ATOM 0 HB3 PRO A 21 3.126 0.741 1.837 1.00 0.00 H new ATOM 0 HG2 PRO A 21 5.966 0.642 0.799 1.00 0.00 H new ATOM 0 HG3 PRO A 21 5.391 0.410 2.438 1.00 0.00 H new ATOM 0 HD2 PRO A 21 6.038 -1.686 0.698 1.00 0.00 H new ATOM 0 HD3 PRO A 21 5.006 -1.863 2.103 1.00 0.00 H new ATOM 323 N LYS A 22 2.946 1.223 -1.918 1.00 0.00 N ATOM 324 CA LYS A 22 3.178 1.952 -3.176 1.00 0.00 C ATOM 325 C LYS A 22 3.168 3.460 -2.910 1.00 0.00 C ATOM 326 O LYS A 22 2.465 3.922 -2.007 1.00 0.00 O ATOM 327 CB LYS A 22 2.124 1.605 -4.242 1.00 0.00 C ATOM 328 CG LYS A 22 2.049 0.127 -4.646 1.00 0.00 C ATOM 329 CD LYS A 22 0.999 -0.668 -3.854 1.00 0.00 C ATOM 330 CE LYS A 22 1.051 -2.136 -4.275 1.00 0.00 C ATOM 331 NZ LYS A 22 2.222 -2.820 -3.691 1.00 0.00 N ATOM 0 H LYS A 22 2.231 1.671 -1.345 1.00 0.00 H new ATOM 0 HA LYS A 22 4.152 1.649 -3.561 1.00 0.00 H new ATOM 0 HB2 LYS A 22 1.146 1.912 -3.873 1.00 0.00 H new ATOM 0 HB3 LYS A 22 2.328 2.197 -5.134 1.00 0.00 H new ATOM 0 HG2 LYS A 22 1.819 0.060 -5.709 1.00 0.00 H new ATOM 0 HG3 LYS A 22 3.027 -0.332 -4.501 1.00 0.00 H new ATOM 0 HD2 LYS A 22 1.189 -0.578 -2.784 1.00 0.00 H new ATOM 0 HD3 LYS A 22 0.005 -0.261 -4.036 1.00 0.00 H new ATOM 0 HE2 LYS A 22 0.138 -2.640 -3.959 1.00 0.00 H new ATOM 0 HE3 LYS A 22 1.092 -2.204 -5.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 2.185 -3.833 -3.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 3.094 -2.407 -4.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 2.213 -2.703 -2.658 1.00 0.00 H new ATOM 345 N CYS A 23 3.895 4.242 -3.714 1.00 0.00 N ATOM 346 CA CYS A 23 4.160 5.654 -3.422 1.00 0.00 C ATOM 347 C CYS A 23 3.992 6.565 -4.639 1.00 0.00 C ATOM 348 O CYS A 23 4.114 6.141 -5.786 1.00 0.00 O ATOM 349 CB CYS A 23 5.593 5.780 -2.870 1.00 0.00 C ATOM 350 SG CYS A 23 6.197 4.417 -1.830 1.00 0.00 S ATOM 0 H CYS A 23 4.316 3.915 -4.584 1.00 0.00 H new ATOM 0 HA CYS A 23 3.424 5.983 -2.689 1.00 0.00 H new ATOM 0 HB2 CYS A 23 6.273 5.889 -3.715 1.00 0.00 H new ATOM 0 HB3 CYS A 23 5.653 6.701 -2.291 1.00 0.00 H new ATOM 355 N ASP A 24 3.694 7.835 -4.361 1.00 0.00 N ATOM 356 CA ASP A 24 3.510 8.891 -5.346 1.00 0.00 C ATOM 357 C ASP A 24 4.829 9.579 -5.753 1.00 0.00 C ATOM 358 O ASP A 24 5.890 9.335 -5.177 1.00 0.00 O ATOM 359 CB ASP A 24 2.452 9.890 -4.831 1.00 0.00 C ATOM 360 CG ASP A 24 2.762 10.495 -3.461 1.00 0.00 C ATOM 361 OD1 ASP A 24 3.945 10.828 -3.225 1.00 0.00 O ATOM 362 OD2 ASP A 24 1.809 10.613 -2.663 1.00 0.00 O ATOM 0 H ASP A 24 3.570 8.165 -3.404 1.00 0.00 H new ATOM 0 HA ASP A 24 3.145 8.437 -6.267 1.00 0.00 H new ATOM 0 HB2 ASP A 24 2.351 10.698 -5.556 1.00 0.00 H new ATOM 0 HB3 ASP A 24 1.488 9.384 -4.781 1.00 0.00 H new ATOM 367 N GLU A 25 4.754 10.496 -6.726 1.00 0.00 N ATOM 368 CA GLU A 25 5.890 11.311 -7.185 1.00 0.00 C ATOM 369 C GLU A 25 6.519 12.184 -6.083 1.00 0.00 C ATOM 370 O GLU A 25 7.678 12.572 -6.190 1.00 0.00 O ATOM 371 CB GLU A 25 5.462 12.173 -8.387 1.00 0.00 C ATOM 372 CG GLU A 25 4.379 13.213 -8.050 1.00 0.00 C ATOM 373 CD GLU A 25 3.956 13.992 -9.294 1.00 0.00 C ATOM 374 OE1 GLU A 25 3.143 13.433 -10.063 1.00 0.00 O ATOM 375 OE2 GLU A 25 4.455 15.125 -9.459 1.00 0.00 O ATOM 0 H GLU A 25 3.888 10.697 -7.226 1.00 0.00 H new ATOM 0 HA GLU A 25 6.672 10.613 -7.486 1.00 0.00 H new ATOM 0 HB2 GLU A 25 6.337 12.688 -8.783 1.00 0.00 H new ATOM 0 HB3 GLU A 25 5.092 11.520 -9.177 1.00 0.00 H new ATOM 0 HG2 GLU A 25 3.512 12.713 -7.619 1.00 0.00 H new ATOM 0 HG3 GLU A 25 4.756 13.904 -7.296 1.00 0.00 H new ATOM 382 N ASN A 26 5.773 12.461 -5.009 1.00 0.00 N ATOM 383 CA ASN A 26 6.212 13.170 -3.809 1.00 0.00 C ATOM 384 C ASN A 26 6.891 12.221 -2.796 1.00 0.00 C ATOM 385 O ASN A 26 7.147 12.617 -1.659 1.00 0.00 O ATOM 386 CB ASN A 26 5.001 13.893 -3.176 1.00 0.00 C ATOM 387 CG ASN A 26 4.029 14.472 -4.197 1.00 0.00 C ATOM 388 OD1 ASN A 26 3.183 13.771 -4.737 1.00 0.00 O ATOM 389 ND2 ASN A 26 4.128 15.749 -4.504 1.00 0.00 N ATOM 0 H ASN A 26 4.794 12.180 -4.953 1.00 0.00 H new ATOM 0 HA ASN A 26 6.963 13.907 -4.093 1.00 0.00 H new ATOM 0 HB2 ASN A 26 4.466 13.193 -2.535 1.00 0.00 H new ATOM 0 HB3 ASN A 26 5.364 14.698 -2.536 1.00 0.00 H new ATOM 0 HD21 ASN A 26 3.498 16.158 -5.194 1.00 0.00 H new ATOM 0 HD22 ASN A 26 4.834 16.329 -4.051 1.00 0.00 H new ATOM 396 N GLY A 27 7.114 10.949 -3.162 1.00 0.00 N ATOM 397 CA GLY A 27 7.725 9.911 -2.332 1.00 0.00 C ATOM 398 C GLY A 27 6.878 9.458 -1.139 1.00 0.00 C ATOM 399 O GLY A 27 7.356 8.671 -0.321 1.00 0.00 O ATOM 0 H GLY A 27 6.860 10.605 -4.088 1.00 0.00 H new ATOM 0 HA2 GLY A 27 7.938 9.044 -2.958 1.00 0.00 H new ATOM 0 HA3 GLY A 27 8.682 10.279 -1.961 1.00 0.00 H new ATOM 403 N ASN A 28 5.646 9.960 -1.020 1.00 0.00 N ATOM 404 CA ASN A 28 4.682 9.672 0.038 1.00 0.00 C ATOM 405 C ASN A 28 3.807 8.476 -0.368 1.00 0.00 C ATOM 406 O ASN A 28 3.774 8.102 -1.543 1.00 0.00 O ATOM 407 CB ASN A 28 3.847 10.944 0.279 1.00 0.00 C ATOM 408 CG ASN A 28 4.551 11.976 1.151 1.00 0.00 C ATOM 409 OD1 ASN A 28 4.154 12.220 2.279 1.00 0.00 O ATOM 410 ND2 ASN A 28 5.604 12.623 0.689 1.00 0.00 N ATOM 0 H ASN A 28 5.275 10.619 -1.704 1.00 0.00 H new ATOM 0 HA ASN A 28 5.185 9.399 0.966 1.00 0.00 H new ATOM 0 HB2 ASN A 28 3.604 11.397 -0.682 1.00 0.00 H new ATOM 0 HB3 ASN A 28 2.903 10.666 0.748 1.00 0.00 H new ATOM 0 HD21 ASN A 28 6.074 13.315 1.272 1.00 0.00 H new ATOM 0 HD22 ASN A 28 5.948 12.431 -0.252 1.00 0.00 H new ATOM 417 N TYR A 29 3.087 7.874 0.587 1.00 0.00 N ATOM 418 CA TYR A 29 2.222 6.723 0.311 1.00 0.00 C ATOM 419 C TYR A 29 1.107 7.118 -0.663 1.00 0.00 C ATOM 420 O TYR A 29 0.399 8.100 -0.432 1.00 0.00 O ATOM 421 CB TYR A 29 1.643 6.145 1.611 1.00 0.00 C ATOM 422 CG TYR A 29 2.652 5.498 2.547 1.00 0.00 C ATOM 423 CD1 TYR A 29 3.361 6.282 3.476 1.00 0.00 C ATOM 424 CD2 TYR A 29 2.870 4.104 2.509 1.00 0.00 C ATOM 425 CE1 TYR A 29 4.270 5.688 4.369 1.00 0.00 C ATOM 426 CE2 TYR A 29 3.793 3.503 3.391 1.00 0.00 C ATOM 427 CZ TYR A 29 4.493 4.298 4.327 1.00 0.00 C ATOM 428 OH TYR A 29 5.397 3.747 5.178 1.00 0.00 O ATOM 0 H TYR A 29 3.088 8.168 1.564 1.00 0.00 H new ATOM 0 HA TYR A 29 2.824 5.943 -0.156 1.00 0.00 H new ATOM 0 HB2 TYR A 29 1.136 6.945 2.149 1.00 0.00 H new ATOM 0 HB3 TYR A 29 0.886 5.404 1.353 1.00 0.00 H new ATOM 0 HD1 TYR A 29 3.205 7.350 3.503 1.00 0.00 H new ATOM 0 HD2 TYR A 29 2.328 3.494 1.801 1.00 0.00 H new ATOM 0 HE1 TYR A 29 4.798 6.298 5.087 1.00 0.00 H new ATOM 0 HE2 TYR A 29 3.964 2.437 3.351 1.00 0.00 H new ATOM 0 HH TYR A 29 5.415 2.775 5.051 1.00 0.00 H new ATOM 438 N LEU A 30 0.949 6.352 -1.754 1.00 0.00 N ATOM 439 CA LEU A 30 -0.139 6.555 -2.713 1.00 0.00 C ATOM 440 C LEU A 30 -1.500 6.513 -1.979 1.00 0.00 C ATOM 441 O LEU A 30 -1.666 5.640 -1.125 1.00 0.00 O ATOM 442 CB LEU A 30 -0.126 5.474 -3.816 1.00 0.00 C ATOM 443 CG LEU A 30 0.488 5.912 -5.154 1.00 0.00 C ATOM 444 CD1 LEU A 30 0.628 4.700 -6.078 1.00 0.00 C ATOM 445 CD2 LEU A 30 -0.347 6.968 -5.884 1.00 0.00 C ATOM 0 H LEU A 30 1.571 5.579 -1.992 1.00 0.00 H new ATOM 0 HA LEU A 30 0.006 7.529 -3.180 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.425 4.609 -3.448 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.150 5.147 -3.994 1.00 0.00 H new ATOM 0 HG LEU A 30 1.457 6.352 -4.916 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.064 5.014 -7.026 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.275 3.958 -5.609 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.355 4.264 -6.257 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.142 7.234 -6.821 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.339 6.567 -6.093 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.439 7.856 -5.258 1.00 0.00 H new ATOM 457 N PRO A 31 -2.493 7.359 -2.333 1.00 0.00 N ATOM 458 CA PRO A 31 -3.829 7.369 -1.724 1.00 0.00 C ATOM 459 C PRO A 31 -4.518 6.007 -1.578 1.00 0.00 C ATOM 460 O PRO A 31 -5.270 5.826 -0.625 1.00 0.00 O ATOM 461 CB PRO A 31 -4.658 8.305 -2.605 1.00 0.00 C ATOM 462 CG PRO A 31 -3.625 9.333 -3.048 1.00 0.00 C ATOM 463 CD PRO A 31 -2.383 8.470 -3.269 1.00 0.00 C ATOM 0 HA PRO A 31 -3.735 7.696 -0.689 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -5.099 7.781 -3.453 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -5.478 8.764 -2.052 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -3.929 9.849 -3.959 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -3.460 10.097 -2.288 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -2.336 8.111 -4.297 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -1.473 9.043 -3.089 1.00 0.00 H new ATOM 471 N LEU A 32 -4.246 5.063 -2.491 1.00 0.00 N ATOM 472 CA LEU A 32 -4.621 3.650 -2.419 1.00 0.00 C ATOM 473 C LEU A 32 -3.362 2.816 -2.143 1.00 0.00 C ATOM 474 O LEU A 32 -2.365 2.945 -2.854 1.00 0.00 O ATOM 475 CB LEU A 32 -5.272 3.227 -3.755 1.00 0.00 C ATOM 476 CG LEU A 32 -5.801 1.775 -3.775 1.00 0.00 C ATOM 477 CD1 LEU A 32 -7.117 1.617 -3.027 1.00 0.00 C ATOM 478 CD2 LEU A 32 -6.044 1.305 -5.212 1.00 0.00 C ATOM 0 H LEU A 32 -3.731 5.280 -3.344 1.00 0.00 H new ATOM 0 HA LEU A 32 -5.339 3.487 -1.615 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -6.097 3.905 -3.974 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.541 3.346 -4.555 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.032 1.178 -3.285 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.440 0.577 -3.075 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.981 1.907 -1.985 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.874 2.253 -3.485 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.416 0.280 -5.202 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.780 1.954 -5.687 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.109 1.346 -5.771 1.00 0.00 H new ATOM 490 N GLN A 33 -3.425 1.931 -1.145 1.00 0.00 N ATOM 491 CA GLN A 33 -2.420 0.901 -0.881 1.00 0.00 C ATOM 492 C GLN A 33 -3.040 -0.464 -1.152 1.00 0.00 C ATOM 493 O GLN A 33 -4.191 -0.705 -0.787 1.00 0.00 O ATOM 494 CB GLN A 33 -1.943 0.958 0.578 1.00 0.00 C ATOM 495 CG GLN A 33 -1.210 2.256 0.921 1.00 0.00 C ATOM 496 CD GLN A 33 0.034 2.486 0.076 1.00 0.00 C ATOM 497 OE1 GLN A 33 0.989 1.725 0.107 1.00 0.00 O ATOM 498 NE2 GLN A 33 0.087 3.542 -0.699 1.00 0.00 N ATOM 0 H GLN A 33 -4.199 1.912 -0.480 1.00 0.00 H new ATOM 0 HA GLN A 33 -1.561 1.071 -1.530 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -2.802 0.848 1.239 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -1.282 0.113 0.771 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -1.892 3.096 0.788 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -0.928 2.238 1.974 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -0.702 4.187 -0.736 1.00 0.00 H new ATOM 0 HE22 GLN A 33 0.917 3.718 -1.265 1.00 0.00 H new ATOM 507 N CYS A 34 -2.266 -1.365 -1.757 1.00 0.00 N ATOM 508 CA CYS A 34 -2.718 -2.706 -2.098 1.00 0.00 C ATOM 509 C CYS A 34 -1.714 -3.751 -1.619 1.00 0.00 C ATOM 510 O CYS A 34 -0.568 -3.806 -2.061 1.00 0.00 O ATOM 511 CB CYS A 34 -2.999 -2.811 -3.597 1.00 0.00 C ATOM 512 SG CYS A 34 -4.452 -1.884 -4.161 1.00 0.00 S ATOM 0 H CYS A 34 -1.300 -1.179 -2.025 1.00 0.00 H new ATOM 0 HA CYS A 34 -3.656 -2.907 -1.581 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -2.124 -2.457 -4.143 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -3.132 -3.862 -3.855 1.00 0.00 H new ATOM 517 N TYR A 35 -2.186 -4.636 -0.747 1.00 0.00 N ATOM 518 CA TYR A 35 -1.488 -5.811 -0.252 1.00 0.00 C ATOM 519 C TYR A 35 -1.671 -6.909 -1.316 1.00 0.00 C ATOM 520 O TYR A 35 -2.347 -7.920 -1.124 1.00 0.00 O ATOM 521 CB TYR A 35 -2.065 -6.092 1.150 1.00 0.00 C ATOM 522 CG TYR A 35 -1.397 -7.102 2.069 1.00 0.00 C ATOM 523 CD1 TYR A 35 -0.519 -8.085 1.581 1.00 0.00 C ATOM 524 CD2 TYR A 35 -1.705 -7.073 3.445 1.00 0.00 C ATOM 525 CE1 TYR A 35 -0.003 -9.064 2.445 1.00 0.00 C ATOM 526 CE2 TYR A 35 -1.154 -8.027 4.322 1.00 0.00 C ATOM 527 CZ TYR A 35 -0.311 -9.040 3.820 1.00 0.00 C ATOM 528 OH TYR A 35 0.195 -9.983 4.660 1.00 0.00 O ATOM 0 H TYR A 35 -3.119 -4.545 -0.346 1.00 0.00 H new ATOM 0 HA TYR A 35 -0.411 -5.715 -0.117 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -2.094 -5.142 1.683 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -3.098 -6.413 1.015 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -0.240 -8.087 0.538 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -2.369 -6.313 3.829 1.00 0.00 H new ATOM 0 HE1 TYR A 35 0.635 -9.842 2.053 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -1.377 -7.983 5.378 1.00 0.00 H new ATOM 0 HH TYR A 35 0.565 -10.723 4.136 1.00 0.00 H new ATOM 538 N GLY A 36 -1.061 -6.660 -2.485 1.00 0.00 N ATOM 539 CA GLY A 36 -1.244 -7.424 -3.721 1.00 0.00 C ATOM 540 C GLY A 36 -0.863 -8.901 -3.613 1.00 0.00 C ATOM 541 O GLY A 36 -1.467 -9.728 -4.287 1.00 0.00 O ATOM 0 H GLY A 36 -0.401 -5.890 -2.596 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -2.288 -7.352 -4.027 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -0.648 -6.964 -4.510 1.00 0.00 H new ATOM 545 N SER A 37 0.060 -9.246 -2.709 1.00 0.00 N ATOM 546 CA SER A 37 0.431 -10.619 -2.346 1.00 0.00 C ATOM 547 C SER A 37 -0.719 -11.446 -1.735 1.00 0.00 C ATOM 548 O SER A 37 -0.582 -12.665 -1.645 1.00 0.00 O ATOM 549 CB SER A 37 1.665 -10.577 -1.438 1.00 0.00 C ATOM 550 OG SER A 37 1.452 -9.635 -0.411 1.00 0.00 O ATOM 0 H SER A 37 0.591 -8.548 -2.189 1.00 0.00 H new ATOM 0 HA SER A 37 0.671 -11.149 -3.267 1.00 0.00 H new ATOM 0 HB2 SER A 37 1.851 -11.563 -1.011 1.00 0.00 H new ATOM 0 HB3 SER A 37 2.549 -10.308 -2.017 1.00 0.00 H new ATOM 0 HG SER A 37 2.284 -9.148 -0.236 1.00 0.00 H new ATOM 556 N ILE A 38 -1.849 -10.819 -1.359 1.00 0.00 N ATOM 557 CA ILE A 38 -3.126 -11.451 -1.008 1.00 0.00 C ATOM 558 C ILE A 38 -4.303 -10.849 -1.813 1.00 0.00 C ATOM 559 O ILE A 38 -5.443 -11.301 -1.686 1.00 0.00 O ATOM 560 CB ILE A 38 -3.392 -11.375 0.508 1.00 0.00 C ATOM 561 CG1 ILE A 38 -3.530 -9.934 1.034 1.00 0.00 C ATOM 562 CG2 ILE A 38 -2.336 -12.168 1.295 1.00 0.00 C ATOM 563 CD1 ILE A 38 -4.052 -9.833 2.472 1.00 0.00 C ATOM 0 H ILE A 38 -1.894 -9.802 -1.289 1.00 0.00 H new ATOM 0 HA ILE A 38 -3.050 -12.504 -1.280 1.00 0.00 H new ATOM 0 HB ILE A 38 -4.363 -11.842 0.672 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -2.558 -9.445 0.978 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -4.202 -9.383 0.377 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.548 -12.097 2.362 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -2.363 -13.214 0.988 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -1.347 -11.756 1.094 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -4.119 -8.784 2.762 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -5.040 -10.290 2.533 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -3.369 -10.353 3.144 1.00 0.00 H new ATOM 575 N GLY A 39 -4.045 -9.824 -2.637 1.00 0.00 N ATOM 576 CA GLY A 39 -5.013 -9.124 -3.482 1.00 0.00 C ATOM 577 C GLY A 39 -5.965 -8.164 -2.752 1.00 0.00 C ATOM 578 O GLY A 39 -7.039 -7.899 -3.285 1.00 0.00 O ATOM 0 H GLY A 39 -3.104 -9.443 -2.735 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -4.466 -8.559 -4.237 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -5.611 -9.867 -4.010 1.00 0.00 H new ATOM 582 N TYR A 40 -5.640 -7.697 -1.540 1.00 0.00 N ATOM 583 CA TYR A 40 -6.470 -6.734 -0.789 1.00 0.00 C ATOM 584 C TYR A 40 -5.988 -5.294 -1.008 1.00 0.00 C ATOM 585 O TYR A 40 -4.816 -5.083 -1.316 1.00 0.00 O ATOM 586 CB TYR A 40 -6.433 -7.068 0.713 1.00 0.00 C ATOM 587 CG TYR A 40 -7.445 -8.110 1.153 1.00 0.00 C ATOM 588 CD1 TYR A 40 -7.310 -9.452 0.753 1.00 0.00 C ATOM 589 CD2 TYR A 40 -8.535 -7.729 1.963 1.00 0.00 C ATOM 590 CE1 TYR A 40 -8.253 -10.414 1.159 1.00 0.00 C ATOM 591 CE2 TYR A 40 -9.490 -8.682 2.355 1.00 0.00 C ATOM 592 CZ TYR A 40 -9.348 -10.028 1.959 1.00 0.00 C ATOM 593 OH TYR A 40 -10.277 -10.945 2.346 1.00 0.00 O ATOM 0 H TYR A 40 -4.791 -7.975 -1.047 1.00 0.00 H new ATOM 0 HA TYR A 40 -7.493 -6.813 -1.158 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -5.434 -7.420 0.969 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -6.604 -6.153 1.280 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -6.478 -9.746 0.131 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -8.636 -6.702 2.283 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -8.138 -11.445 0.859 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -10.333 -8.384 2.960 1.00 0.00 H new ATOM 0 HH TYR A 40 -10.961 -10.506 2.894 1.00 0.00 H new ATOM 603 N CYS A 41 -6.851 -4.297 -0.768 1.00 0.00 N ATOM 604 CA CYS A 41 -6.463 -2.881 -0.743 1.00 0.00 C ATOM 605 C CYS A 41 -7.182 -2.088 0.357 1.00 0.00 C ATOM 606 O CYS A 41 -8.184 -2.539 0.909 1.00 0.00 O ATOM 607 CB CYS A 41 -6.734 -2.211 -2.104 1.00 0.00 C ATOM 608 SG CYS A 41 -6.067 -3.006 -3.597 1.00 0.00 S ATOM 0 H CYS A 41 -7.842 -4.452 -0.585 1.00 0.00 H new ATOM 0 HA CYS A 41 -5.395 -2.866 -0.527 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -7.814 -2.127 -2.225 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -6.338 -1.196 -2.061 1.00 0.00 H new ATOM 613 N TRP A 42 -6.667 -0.892 0.651 1.00 0.00 N ATOM 614 CA TRP A 42 -7.279 0.146 1.485 1.00 0.00 C ATOM 615 C TRP A 42 -6.825 1.524 0.992 1.00 0.00 C ATOM 616 O TRP A 42 -5.823 1.643 0.285 1.00 0.00 O ATOM 617 CB TRP A 42 -6.914 -0.032 2.961 1.00 0.00 C ATOM 618 CG TRP A 42 -5.462 -0.104 3.278 1.00 0.00 C ATOM 619 CD1 TRP A 42 -4.667 0.927 3.638 1.00 0.00 C ATOM 620 CD2 TRP A 42 -4.626 -1.294 3.274 1.00 0.00 C ATOM 621 NE1 TRP A 42 -3.390 0.446 3.874 1.00 0.00 N ATOM 622 CE2 TRP A 42 -3.309 -0.913 3.649 1.00 0.00 C ATOM 623 CE3 TRP A 42 -4.858 -2.657 2.992 1.00 0.00 C ATOM 624 CZ2 TRP A 42 -2.261 -1.838 3.731 1.00 0.00 C ATOM 625 CZ3 TRP A 42 -3.821 -3.598 3.089 1.00 0.00 C ATOM 626 CH2 TRP A 42 -2.524 -3.192 3.452 1.00 0.00 C ATOM 0 H TRP A 42 -5.757 -0.605 0.292 1.00 0.00 H new ATOM 0 HA TRP A 42 -8.362 0.061 1.402 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -7.346 0.797 3.522 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -7.389 -0.944 3.323 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -4.977 1.958 3.727 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -2.606 1.025 4.177 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -5.846 -2.980 2.698 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -1.267 -1.517 4.004 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -4.020 -4.639 2.884 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -1.729 -3.920 3.517 1.00 0.00 H new ATOM 637 N CYS A 43 -7.520 2.581 1.411 1.00 0.00 N ATOM 638 CA CYS A 43 -7.047 3.944 1.196 1.00 0.00 C ATOM 639 C CYS A 43 -6.163 4.358 2.374 1.00 0.00 C ATOM 640 O CYS A 43 -6.399 3.925 3.503 1.00 0.00 O ATOM 641 CB CYS A 43 -8.220 4.917 1.050 1.00 0.00 C ATOM 642 SG CYS A 43 -9.332 4.634 -0.345 1.00 0.00 S ATOM 0 H CYS A 43 -8.412 2.517 1.901 1.00 0.00 H new ATOM 0 HA CYS A 43 -6.470 3.976 0.271 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -8.808 4.883 1.967 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -7.818 5.927 0.966 1.00 0.00 H new ATOM 647 N VAL A 44 -5.193 5.242 2.140 1.00 0.00 N ATOM 648 CA VAL A 44 -4.368 5.840 3.198 1.00 0.00 C ATOM 649 C VAL A 44 -4.220 7.348 3.015 1.00 0.00 C ATOM 650 O VAL A 44 -4.324 7.859 1.901 1.00 0.00 O ATOM 651 CB VAL A 44 -2.938 5.258 3.261 1.00 0.00 C ATOM 652 CG1 VAL A 44 -2.912 3.763 3.561 1.00 0.00 C ATOM 653 CG2 VAL A 44 -2.129 5.519 1.988 1.00 0.00 C ATOM 0 H VAL A 44 -4.953 5.568 1.204 1.00 0.00 H new ATOM 0 HA VAL A 44 -4.899 5.604 4.120 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.472 5.790 4.090 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.879 3.416 3.592 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.386 3.577 4.525 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -3.452 3.226 2.781 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -1.134 5.086 2.094 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.634 5.064 1.136 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.042 6.593 1.826 1.00 0.00 H new ATOM 663 N PHE A 45 -3.933 8.059 4.105 1.00 0.00 N ATOM 664 CA PHE A 45 -3.455 9.438 4.038 1.00 0.00 C ATOM 665 C PHE A 45 -1.963 9.384 3.623 1.00 0.00 C ATOM 666 O PHE A 45 -1.325 8.347 3.827 1.00 0.00 O ATOM 667 CB PHE A 45 -3.654 10.111 5.403 1.00 0.00 C ATOM 668 CG PHE A 45 -5.115 10.335 5.759 1.00 0.00 C ATOM 669 CD1 PHE A 45 -5.796 11.454 5.246 1.00 0.00 C ATOM 670 CD2 PHE A 45 -5.805 9.421 6.580 1.00 0.00 C ATOM 671 CE1 PHE A 45 -7.157 11.654 5.544 1.00 0.00 C ATOM 672 CE2 PHE A 45 -7.162 9.624 6.886 1.00 0.00 C ATOM 673 CZ PHE A 45 -7.840 10.740 6.365 1.00 0.00 C ATOM 0 H PHE A 45 -4.025 7.697 5.054 1.00 0.00 H new ATOM 0 HA PHE A 45 -4.008 10.029 3.308 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -3.190 9.496 6.174 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.136 11.070 5.406 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -5.272 12.162 4.621 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -5.288 8.559 6.976 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -7.677 12.511 5.141 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -7.683 8.923 7.521 1.00 0.00 H new ATOM 0 HZ PHE A 45 -8.884 10.895 6.595 1.00 0.00 H new ATOM 683 N PRO A 46 -1.359 10.457 3.067 1.00 0.00 N ATOM 684 CA PRO A 46 -0.003 10.424 2.493 1.00 0.00 C ATOM 685 C PRO A 46 1.123 9.868 3.385 1.00 0.00 C ATOM 686 O PRO A 46 2.136 9.400 2.865 1.00 0.00 O ATOM 687 CB PRO A 46 0.290 11.869 2.080 1.00 0.00 C ATOM 688 CG PRO A 46 -1.092 12.419 1.743 1.00 0.00 C ATOM 689 CD PRO A 46 -1.996 11.731 2.764 1.00 0.00 C ATOM 0 HA PRO A 46 -0.005 9.711 1.669 1.00 0.00 H new ATOM 0 HB2 PRO A 46 0.762 12.431 2.886 1.00 0.00 H new ATOM 0 HB3 PRO A 46 0.962 11.915 1.223 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -1.128 13.504 1.839 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -1.383 12.179 0.720 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -2.102 12.338 3.663 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -2.997 11.581 2.360 1.00 0.00 H new ATOM 697 N ASN A 47 0.950 9.873 4.716 1.00 0.00 N ATOM 698 CA ASN A 47 1.871 9.297 5.691 1.00 0.00 C ATOM 699 C ASN A 47 1.721 7.771 5.899 1.00 0.00 C ATOM 700 O ASN A 47 2.507 7.195 6.648 1.00 0.00 O ATOM 701 CB ASN A 47 1.721 10.054 7.026 1.00 0.00 C ATOM 702 CG ASN A 47 0.544 9.575 7.869 1.00 0.00 C ATOM 703 OD1 ASN A 47 -0.505 9.177 7.369 1.00 0.00 O ATOM 704 ND2 ASN A 47 0.687 9.564 9.180 1.00 0.00 N ATOM 0 H ASN A 47 0.131 10.296 5.153 1.00 0.00 H new ATOM 0 HA ASN A 47 2.876 9.420 5.286 1.00 0.00 H new ATOM 0 HB2 ASN A 47 2.639 9.943 7.603 1.00 0.00 H new ATOM 0 HB3 ASN A 47 1.601 11.118 6.820 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -0.071 9.226 9.773 1.00 0.00 H new ATOM 0 HD22 ASN A 47 1.556 9.893 9.601 1.00 0.00 H new ATOM 711 N GLY A 48 0.720 7.129 5.280 1.00 0.00 N ATOM 712 CA GLY A 48 0.432 5.695 5.381 1.00 0.00 C ATOM 713 C GLY A 48 -0.745 5.333 6.300 1.00 0.00 C ATOM 714 O GLY A 48 -1.063 4.153 6.428 1.00 0.00 O ATOM 0 H GLY A 48 0.063 7.617 4.671 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.226 5.310 4.382 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.325 5.185 5.741 1.00 0.00 H new ATOM 718 N THR A 49 -1.403 6.314 6.935 1.00 0.00 N ATOM 719 CA THR A 49 -2.526 6.082 7.865 1.00 0.00 C ATOM 720 C THR A 49 -3.760 5.595 7.105 1.00 0.00 C ATOM 721 O THR A 49 -4.304 6.353 6.306 1.00 0.00 O ATOM 722 CB THR A 49 -2.902 7.357 8.645 1.00 0.00 C ATOM 723 OG1 THR A 49 -1.763 7.956 9.209 1.00 0.00 O ATOM 724 CG2 THR A 49 -3.881 7.070 9.785 1.00 0.00 C ATOM 0 H THR A 49 -1.171 7.300 6.819 1.00 0.00 H new ATOM 0 HA THR A 49 -2.195 5.323 8.573 1.00 0.00 H new ATOM 0 HB THR A 49 -3.371 8.023 7.921 1.00 0.00 H new ATOM 0 HG1 THR A 49 -1.473 8.703 8.645 1.00 0.00 H new ATOM 0 HG21 THR A 49 -4.116 7.999 10.305 1.00 0.00 H new ATOM 0 HG22 THR A 49 -4.796 6.640 9.379 1.00 0.00 H new ATOM 0 HG23 THR A 49 -3.429 6.367 10.484 1.00 0.00 H new ATOM 732 N GLU A 50 -4.209 4.354 7.337 1.00 0.00 N ATOM 733 CA GLU A 50 -5.411 3.790 6.707 1.00 0.00 C ATOM 734 C GLU A 50 -6.669 4.634 6.969 1.00 0.00 C ATOM 735 O GLU A 50 -6.921 5.066 8.092 1.00 0.00 O ATOM 736 CB GLU A 50 -5.591 2.320 7.143 1.00 0.00 C ATOM 737 CG GLU A 50 -6.657 1.533 6.344 1.00 0.00 C ATOM 738 CD GLU A 50 -8.055 1.407 6.970 1.00 0.00 C ATOM 739 OE1 GLU A 50 -8.269 1.955 8.072 1.00 0.00 O ATOM 740 OE2 GLU A 50 -8.904 0.734 6.335 1.00 0.00 O ATOM 0 H GLU A 50 -3.744 3.707 7.973 1.00 0.00 H new ATOM 0 HA GLU A 50 -5.268 3.814 5.627 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -4.634 1.807 7.048 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -5.860 2.299 8.199 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -6.766 2.007 5.368 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -6.274 0.528 6.169 1.00 0.00 H new ATOM 747 N VAL A 51 -7.479 4.831 5.922 1.00 0.00 N ATOM 748 CA VAL A 51 -8.790 5.484 5.993 1.00 0.00 C ATOM 749 C VAL A 51 -9.804 4.415 6.436 1.00 0.00 C ATOM 750 O VAL A 51 -9.996 3.445 5.688 1.00 0.00 O ATOM 751 CB VAL A 51 -9.201 6.079 4.633 1.00 0.00 C ATOM 752 CG1 VAL A 51 -10.561 6.784 4.725 1.00 0.00 C ATOM 753 CG2 VAL A 51 -8.176 7.098 4.110 1.00 0.00 C ATOM 0 H VAL A 51 -7.234 4.533 4.978 1.00 0.00 H new ATOM 0 HA VAL A 51 -8.755 6.313 6.700 1.00 0.00 H new ATOM 0 HB VAL A 51 -9.255 5.237 3.943 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -10.825 7.194 3.750 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -11.322 6.068 5.036 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -10.504 7.592 5.455 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -8.510 7.489 3.149 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.081 7.917 4.823 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.209 6.611 3.987 1.00 0.00 H new ATOM 763 N PRO A 52 -10.410 4.545 7.638 1.00 0.00 N ATOM 764 CA PRO A 52 -11.222 3.508 8.272 1.00 0.00 C ATOM 765 C PRO A 52 -12.227 2.808 7.360 1.00 0.00 C ATOM 766 O PRO A 52 -12.937 3.443 6.582 1.00 0.00 O ATOM 767 CB PRO A 52 -11.918 4.189 9.452 1.00 0.00 C ATOM 768 CG PRO A 52 -10.888 5.227 9.882 1.00 0.00 C ATOM 769 CD PRO A 52 -10.280 5.674 8.554 1.00 0.00 C ATOM 0 HA PRO A 52 -10.568 2.691 8.577 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -12.861 4.650 9.157 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -12.144 3.485 10.252 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -11.350 6.058 10.415 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -10.137 4.800 10.547 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -10.798 6.551 8.165 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -9.234 5.953 8.680 1.00 0.00 H new ATOM 777 N ASN A 53 -12.301 1.482 7.515 1.00 0.00 N ATOM 778 CA ASN A 53 -13.203 0.568 6.815 1.00 0.00 C ATOM 779 C ASN A 53 -12.996 0.496 5.289 1.00 0.00 C ATOM 780 O ASN A 53 -13.804 -0.141 4.615 1.00 0.00 O ATOM 781 CB ASN A 53 -14.660 0.881 7.205 1.00 0.00 C ATOM 782 CG ASN A 53 -14.864 0.946 8.711 1.00 0.00 C ATOM 783 OD1 ASN A 53 -14.708 -0.032 9.421 1.00 0.00 O ATOM 784 ND2 ASN A 53 -15.200 2.105 9.241 1.00 0.00 N ATOM 0 H ASN A 53 -11.695 0.991 8.173 1.00 0.00 H new ATOM 0 HA ASN A 53 -12.952 -0.439 7.148 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -14.954 1.832 6.761 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -15.316 0.118 6.786 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -15.330 2.186 10.249 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -15.329 2.921 8.643 1.00 0.00 H new ATOM 791 N THR A 54 -11.926 1.085 4.727 1.00 0.00 N ATOM 792 CA THR A 54 -11.628 0.905 3.295 1.00 0.00 C ATOM 793 C THR A 54 -10.981 -0.444 3.023 1.00 0.00 C ATOM 794 O THR A 54 -11.093 -0.925 1.902 1.00 0.00 O ATOM 795 CB THR A 54 -10.756 2.016 2.685 1.00 0.00 C ATOM 796 OG1 THR A 54 -9.572 2.227 3.426 1.00 0.00 O ATOM 797 CG2 THR A 54 -11.527 3.335 2.630 1.00 0.00 C ATOM 0 H THR A 54 -11.265 1.678 5.230 1.00 0.00 H new ATOM 0 HA THR A 54 -12.601 0.958 2.807 1.00 0.00 H new ATOM 0 HB THR A 54 -10.492 1.687 1.680 1.00 0.00 H new ATOM 0 HG1 THR A 54 -9.723 2.931 4.091 1.00 0.00 H new ATOM 0 HG21 THR A 54 -10.894 4.109 2.196 1.00 0.00 H new ATOM 0 HG22 THR A 54 -12.419 3.210 2.017 1.00 0.00 H new ATOM 0 HG23 THR A 54 -11.818 3.628 3.639 1.00 0.00 H new ATOM 805 N ARG A 55 -10.353 -1.078 4.028 1.00 0.00 N ATOM 806 CA ARG A 55 -9.704 -2.384 3.899 1.00 0.00 C ATOM 807 C ARG A 55 -10.653 -3.434 3.302 1.00 0.00 C ATOM 808 O ARG A 55 -11.565 -3.919 3.976 1.00 0.00 O ATOM 809 CB ARG A 55 -9.036 -2.789 5.228 1.00 0.00 C ATOM 810 CG ARG A 55 -8.110 -4.020 5.087 1.00 0.00 C ATOM 811 CD ARG A 55 -8.602 -5.265 5.841 1.00 0.00 C ATOM 812 NE ARG A 55 -9.960 -5.630 5.423 1.00 0.00 N ATOM 813 CZ ARG A 55 -10.533 -6.815 5.345 1.00 0.00 C ATOM 814 NH1 ARG A 55 -9.927 -7.915 5.726 1.00 0.00 N ATOM 815 NH2 ARG A 55 -11.751 -6.875 4.863 1.00 0.00 N ATOM 0 H ARG A 55 -10.284 -0.686 4.967 1.00 0.00 H new ATOM 0 HA ARG A 55 -8.893 -2.314 3.174 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -8.457 -1.947 5.609 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -9.809 -3.005 5.966 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -8.008 -4.265 4.030 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -7.117 -3.757 5.450 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -7.924 -6.098 5.656 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -8.587 -5.074 6.914 1.00 0.00 H new ATOM 0 HE ARG A 55 -10.553 -4.846 5.151 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -8.978 -7.872 6.099 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -10.405 -8.813 5.650 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -12.223 -6.022 4.563 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -12.226 -7.775 4.788 1.00 0.00 H new ATOM 829 N SER A 56 -10.433 -3.770 2.028 1.00 0.00 N ATOM 830 CA SER A 56 -11.336 -4.568 1.202 1.00 0.00 C ATOM 831 C SER A 56 -10.596 -5.488 0.221 1.00 0.00 C ATOM 832 O SER A 56 -9.384 -5.389 0.021 1.00 0.00 O ATOM 833 CB SER A 56 -12.275 -3.606 0.460 1.00 0.00 C ATOM 834 OG SER A 56 -13.319 -4.328 -0.165 1.00 0.00 O ATOM 0 H SER A 56 -9.591 -3.483 1.528 1.00 0.00 H new ATOM 0 HA SER A 56 -11.904 -5.235 1.850 1.00 0.00 H new ATOM 0 HB2 SER A 56 -12.692 -2.881 1.159 1.00 0.00 H new ATOM 0 HB3 SER A 56 -11.715 -3.043 -0.286 1.00 0.00 H new ATOM 0 HG SER A 56 -13.913 -3.705 -0.634 1.00 0.00 H new ATOM 840 N ARG A 57 -11.372 -6.368 -0.421 1.00 0.00 N ATOM 841 CA ARG A 57 -11.003 -7.458 -1.338 1.00 0.00 C ATOM 842 C ARG A 57 -10.387 -7.002 -2.673 1.00 0.00 C ATOM 843 O ARG A 57 -10.060 -7.849 -3.502 1.00 0.00 O ATOM 844 CB ARG A 57 -12.259 -8.333 -1.565 1.00 0.00 C ATOM 845 CG ARG A 57 -12.147 -9.750 -0.970 1.00 0.00 C ATOM 846 CD ARG A 57 -11.550 -10.776 -1.943 1.00 0.00 C ATOM 847 NE ARG A 57 -10.199 -10.401 -2.380 1.00 0.00 N ATOM 848 CZ ARG A 57 -9.060 -11.044 -2.186 1.00 0.00 C ATOM 849 NH1 ARG A 57 -9.000 -12.244 -1.659 1.00 0.00 N ATOM 850 NH2 ARG A 57 -7.937 -10.471 -2.528 1.00 0.00 N ATOM 0 H ARG A 57 -12.384 -6.332 -0.299 1.00 0.00 H new ATOM 0 HA ARG A 57 -10.203 -8.028 -0.866 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -13.123 -7.833 -1.127 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -12.446 -8.413 -2.636 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -11.530 -9.711 -0.072 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -13.137 -10.086 -0.662 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -11.517 -11.754 -1.463 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -12.199 -10.870 -2.814 1.00 0.00 H new ATOM 0 HE ARG A 57 -10.130 -9.528 -2.903 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -9.857 -12.721 -1.379 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -8.097 -12.699 -1.529 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -7.945 -9.538 -2.940 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -7.052 -10.957 -2.383 1.00 0.00 H new ATOM 864 N GLY A 58 -10.241 -5.695 -2.889 1.00 0.00 N ATOM 865 CA GLY A 58 -9.667 -5.099 -4.093 1.00 0.00 C ATOM 866 C GLY A 58 -9.664 -3.566 -4.060 1.00 0.00 C ATOM 867 O GLY A 58 -10.037 -2.957 -3.056 1.00 0.00 O ATOM 0 H GLY A 58 -10.530 -4.997 -2.204 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -8.645 -5.456 -4.217 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -10.230 -5.437 -4.963 1.00 0.00 H new ATOM 871 N HIS A 59 -9.214 -2.968 -5.170 1.00 0.00 N ATOM 872 CA HIS A 59 -9.014 -1.529 -5.385 1.00 0.00 C ATOM 873 C HIS A 59 -10.275 -0.675 -5.152 1.00 0.00 C ATOM 874 O HIS A 59 -11.403 -1.161 -5.252 1.00 0.00 O ATOM 875 CB HIS A 59 -8.524 -1.310 -6.831 1.00 0.00 C ATOM 876 CG HIS A 59 -7.358 -2.172 -7.255 1.00 0.00 C ATOM 877 ND1 HIS A 59 -7.444 -3.417 -7.842 1.00 0.00 N ATOM 878 CD2 HIS A 59 -6.030 -1.845 -7.181 1.00 0.00 C ATOM 879 CE1 HIS A 59 -6.189 -3.836 -8.079 1.00 0.00 C ATOM 880 NE2 HIS A 59 -5.297 -2.914 -7.696 1.00 0.00 N ATOM 0 H HIS A 59 -8.964 -3.512 -5.996 1.00 0.00 H new ATOM 0 HA HIS A 59 -8.280 -1.202 -4.648 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -9.356 -1.493 -7.511 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -8.242 -0.264 -6.947 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -5.623 -0.923 -6.793 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -5.934 -4.789 -8.519 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -4.282 -2.980 -7.767 1.00 0.00 H new ATOM 888 N HIS A 60 -10.081 0.627 -4.905 1.00 0.00 N ATOM 889 CA HIS A 60 -11.156 1.618 -4.780 1.00 0.00 C ATOM 890 C HIS A 60 -10.663 3.046 -5.099 1.00 0.00 C ATOM 891 O HIS A 60 -9.463 3.310 -5.173 1.00 0.00 O ATOM 892 CB HIS A 60 -11.845 1.503 -3.402 1.00 0.00 C ATOM 893 CG HIS A 60 -11.027 0.870 -2.301 1.00 0.00 C ATOM 894 ND1 HIS A 60 -11.173 -0.408 -1.813 1.00 0.00 N ATOM 895 CD2 HIS A 60 -9.970 1.431 -1.645 1.00 0.00 C ATOM 896 CE1 HIS A 60 -10.247 -0.579 -0.855 1.00 0.00 C ATOM 897 NE2 HIS A 60 -9.485 0.511 -0.729 1.00 0.00 N ATOM 0 H HIS A 60 -9.151 1.029 -4.784 1.00 0.00 H new ATOM 0 HA HIS A 60 -11.915 1.399 -5.531 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -12.138 2.502 -3.080 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -12.762 0.926 -3.524 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -11.858 -1.098 -2.122 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -9.578 2.423 -1.811 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -10.134 -1.477 -0.266 1.00 0.00 H new ATOM 905 N ASN A 61 -11.604 3.978 -5.293 1.00 0.00 N ATOM 906 CA ASN A 61 -11.386 5.320 -5.818 1.00 0.00 C ATOM 907 C ASN A 61 -11.040 6.313 -4.700 1.00 0.00 C ATOM 908 O ASN A 61 -11.821 7.205 -4.372 1.00 0.00 O ATOM 909 CB ASN A 61 -12.617 5.750 -6.641 1.00 0.00 C ATOM 910 CG ASN A 61 -12.875 4.835 -7.830 1.00 0.00 C ATOM 911 OD1 ASN A 61 -11.975 4.462 -8.563 1.00 0.00 O ATOM 912 ND2 ASN A 61 -14.111 4.441 -8.057 1.00 0.00 N ATOM 0 H ASN A 61 -12.585 3.802 -5.075 1.00 0.00 H new ATOM 0 HA ASN A 61 -10.522 5.314 -6.482 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -13.496 5.758 -5.996 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -12.473 6.770 -6.997 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -14.313 3.825 -8.845 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -14.866 4.752 -7.445 1.00 0.00 H new ATOM 919 N CYS A 62 -9.866 6.128 -4.095 1.00 0.00 N ATOM 920 CA CYS A 62 -9.402 6.923 -2.959 1.00 0.00 C ATOM 921 C CYS A 62 -9.307 8.427 -3.266 1.00 0.00 C ATOM 922 O CYS A 62 -8.451 8.865 -4.037 1.00 0.00 O ATOM 923 CB CYS A 62 -8.053 6.393 -2.478 1.00 0.00 C ATOM 924 SG CYS A 62 -8.096 4.669 -1.959 1.00 0.00 S ATOM 0 H CYS A 62 -9.201 5.411 -4.385 1.00 0.00 H new ATOM 0 HA CYS A 62 -10.149 6.819 -2.172 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -7.322 6.504 -3.279 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -7.708 7.006 -1.645 1.00 0.00 H new ATOM 929 N SER A 63 -10.182 9.225 -2.643 1.00 0.00 N ATOM 930 CA SER A 63 -10.305 10.671 -2.822 1.00 0.00 C ATOM 931 C SER A 63 -9.110 11.432 -2.221 1.00 0.00 C ATOM 932 O SER A 63 -9.209 11.988 -1.127 1.00 0.00 O ATOM 933 CB SER A 63 -11.640 11.146 -2.225 1.00 0.00 C ATOM 934 OG SER A 63 -11.633 10.945 -0.827 1.00 0.00 O ATOM 0 H SER A 63 -10.854 8.860 -1.969 1.00 0.00 H new ATOM 0 HA SER A 63 -10.296 10.891 -3.890 1.00 0.00 H new ATOM 0 HB2 SER A 63 -11.795 12.201 -2.450 1.00 0.00 H new ATOM 0 HB3 SER A 63 -12.467 10.599 -2.677 1.00 0.00 H new ATOM 0 HG SER A 63 -10.769 11.228 -0.460 1.00 0.00 H new ATOM 940 N GLU A 64 -7.973 11.407 -2.927 1.00 0.00 N ATOM 941 CA GLU A 64 -6.657 11.977 -2.572 1.00 0.00 C ATOM 942 C GLU A 64 -6.124 11.646 -1.166 1.00 0.00 C ATOM 943 O GLU A 64 -5.218 12.293 -0.641 1.00 0.00 O ATOM 944 CB GLU A 64 -6.557 13.468 -2.953 1.00 0.00 C ATOM 945 CG GLU A 64 -7.422 14.416 -2.109 1.00 0.00 C ATOM 946 CD GLU A 64 -7.131 15.875 -2.460 1.00 0.00 C ATOM 947 OE1 GLU A 64 -7.714 16.346 -3.461 1.00 0.00 O ATOM 948 OE2 GLU A 64 -6.325 16.493 -1.731 1.00 0.00 O ATOM 0 H GLU A 64 -7.942 10.950 -3.839 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.949 11.437 -3.201 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -5.516 13.779 -2.869 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.839 13.579 -4.000 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -8.477 14.200 -2.278 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -7.228 14.247 -1.050 1.00 0.00 H new ATOM 955 N SER A 65 -6.668 10.596 -0.559 1.00 0.00 N ATOM 956 CA SER A 65 -6.214 9.949 0.672 1.00 0.00 C ATOM 957 C SER A 65 -6.920 8.606 0.859 1.00 0.00 C ATOM 958 O SER A 65 -8.029 8.404 0.357 1.00 0.00 O ATOM 959 CB SER A 65 -6.475 10.843 1.886 1.00 0.00 C ATOM 960 OG SER A 65 -5.541 11.905 1.875 1.00 0.00 O ATOM 0 H SER A 65 -7.497 10.141 -0.940 1.00 0.00 H new ATOM 0 HA SER A 65 -5.140 9.780 0.587 1.00 0.00 H new ATOM 0 HB2 SER A 65 -7.492 11.234 1.856 1.00 0.00 H new ATOM 0 HB3 SER A 65 -6.382 10.267 2.807 1.00 0.00 H new ATOM 0 HG SER A 65 -5.129 11.969 0.988 1.00 0.00 H new TER 966 SER A 65