USER MOD reduce.3.24.130724 H: found=0, std=0, add=489, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 489 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 40 HIS : no HE2:sc= -3.86 X(o=-11,f=-12) USER MOD Set 1.2: A 41 HIS : no HD1:sc= -7.49! C(o=-11!,f=-8.6!) USER MOD Single : A 0 MET CE :methyl -137:sc= -0.979 (180deg=-2.82!) USER MOD Single : A 0 MET N :NH3+ 170:sc= 0 (180deg=-0.132) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= -0.24 K(o=-0.24,f=-1.4) USER MOD Single : A 12 GLN : amide:sc= -0.0004 X(o=-0.0004,f=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -132:sc= 0 (180deg=-0.537) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0.936 USER MOD Single : A 20 GLN : amide:sc= -0.0273 X(o=-0.027,f=-0.44) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 HIS : no HD1:sc= 0 X(o=0,f=-0.00053) USER MOD Single : A 29 LYS NZ :NH3+ 137:sc= -1.22 (180deg=-4.33!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -0.903 X(o=-0.9,f=-0.69) USER MOD Single : A 50 ASN : amide:sc= -0.203 X(o=-0.2,f=-0.16) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 7.003 -7.807 -7.336 1.00 0.00 N ATOM 2 CA MET A 0 5.988 -7.933 -8.415 1.00 0.00 C ATOM 3 C MET A 0 4.649 -8.407 -7.859 1.00 0.00 C ATOM 4 O MET A 0 3.935 -9.175 -8.504 1.00 0.00 O ATOM 5 CB MET A 0 6.508 -8.922 -9.459 1.00 0.00 C ATOM 6 CG MET A 0 6.243 -8.490 -10.892 1.00 0.00 C ATOM 7 SD MET A 0 7.216 -7.050 -11.374 1.00 0.00 S ATOM 8 CE MET A 0 6.024 -5.737 -11.125 1.00 0.00 C ATOM 0 H1 MET A 0 7.940 -7.649 -7.758 1.00 0.00 H new ATOM 0 H2 MET A 0 6.760 -7.003 -6.723 1.00 0.00 H new ATOM 0 H3 MET A 0 7.020 -8.680 -6.772 1.00 0.00 H new ATOM 0 HA MET A 0 5.826 -6.956 -8.871 1.00 0.00 H new ATOM 0 HB2 MET A 0 7.581 -9.053 -9.320 1.00 0.00 H new ATOM 0 HB3 MET A 0 6.044 -9.894 -9.290 1.00 0.00 H new ATOM 0 HG2 MET A 0 6.468 -9.318 -11.565 1.00 0.00 H new ATOM 0 HG3 MET A 0 5.183 -8.263 -11.009 1.00 0.00 H new ATOM 0 HE1 MET A 0 6.072 -5.039 -11.961 1.00 0.00 H new ATOM 0 HE2 MET A 0 5.022 -6.162 -11.064 1.00 0.00 H new ATOM 0 HE3 MET A 0 6.251 -5.210 -10.198 1.00 0.00 H new ATOM 20 N LYS A 1 4.314 -7.943 -6.659 1.00 0.00 N ATOM 21 CA LYS A 1 3.060 -8.319 -6.017 1.00 0.00 C ATOM 22 C LYS A 1 2.182 -7.095 -5.778 1.00 0.00 C ATOM 23 O LYS A 1 2.614 -6.118 -5.166 1.00 0.00 O ATOM 24 CB LYS A 1 3.335 -9.029 -4.690 1.00 0.00 C ATOM 25 CG LYS A 1 3.998 -10.387 -4.853 1.00 0.00 C ATOM 26 CD LYS A 1 4.004 -11.164 -3.546 1.00 0.00 C ATOM 27 CE LYS A 1 2.871 -12.176 -3.494 1.00 0.00 C ATOM 28 NZ LYS A 1 3.333 -13.546 -3.853 1.00 0.00 N ATOM 0 H LYS A 1 4.894 -7.306 -6.112 1.00 0.00 H new ATOM 0 HA LYS A 1 2.530 -9.000 -6.683 1.00 0.00 H new ATOM 0 HB2 LYS A 1 3.972 -8.395 -4.073 1.00 0.00 H new ATOM 0 HB3 LYS A 1 2.395 -9.155 -4.153 1.00 0.00 H new ATOM 0 HG2 LYS A 1 3.472 -10.961 -5.616 1.00 0.00 H new ATOM 0 HG3 LYS A 1 5.022 -10.254 -5.203 1.00 0.00 H new ATOM 0 HD2 LYS A 1 4.958 -11.678 -3.432 1.00 0.00 H new ATOM 0 HD3 LYS A 1 3.913 -10.471 -2.709 1.00 0.00 H new ATOM 0 HE2 LYS A 1 2.441 -12.189 -2.492 1.00 0.00 H new ATOM 0 HE3 LYS A 1 2.079 -11.869 -4.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 2.531 -14.206 -3.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 3.720 -13.540 -4.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 4.071 -13.849 -3.186 1.00 0.00 H new ATOM 42 N ALA A 2 0.948 -7.155 -6.266 1.00 0.00 N ATOM 43 CA ALA A 2 0.008 -6.053 -6.107 1.00 0.00 C ATOM 44 C ALA A 2 -0.977 -6.333 -4.977 1.00 0.00 C ATOM 45 O ALA A 2 -1.421 -7.467 -4.794 1.00 0.00 O ATOM 46 CB ALA A 2 -0.736 -5.802 -7.409 1.00 0.00 C ATOM 0 H ALA A 2 0.576 -7.956 -6.775 1.00 0.00 H new ATOM 0 HA ALA A 2 0.574 -5.158 -5.848 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -1.435 -4.976 -7.275 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -0.022 -5.550 -8.193 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -1.285 -6.700 -7.693 1.00 0.00 H new ATOM 52 N ALA A 3 -1.316 -5.293 -4.223 1.00 0.00 N ATOM 53 CA ALA A 3 -2.250 -5.428 -3.111 1.00 0.00 C ATOM 54 C ALA A 3 -3.448 -4.503 -3.287 1.00 0.00 C ATOM 55 O ALA A 3 -3.311 -3.376 -3.764 1.00 0.00 O ATOM 56 CB ALA A 3 -1.546 -5.140 -1.794 1.00 0.00 C ATOM 0 H ALA A 3 -0.958 -4.348 -4.361 1.00 0.00 H new ATOM 0 HA ALA A 3 -2.616 -6.455 -3.097 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -2.255 -5.244 -0.972 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -0.726 -5.845 -1.658 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -1.152 -4.124 -1.807 1.00 0.00 H new ATOM 62 N ARG A 4 -4.624 -4.986 -2.901 1.00 0.00 N ATOM 63 CA ARG A 4 -5.848 -4.202 -3.016 1.00 0.00 C ATOM 64 C ARG A 4 -6.240 -3.604 -1.669 1.00 0.00 C ATOM 65 O ARG A 4 -6.541 -4.329 -0.721 1.00 0.00 O ATOM 66 CB ARG A 4 -6.986 -5.072 -3.553 1.00 0.00 C ATOM 67 CG ARG A 4 -8.300 -4.323 -3.719 1.00 0.00 C ATOM 68 CD ARG A 4 -9.346 -4.800 -2.723 1.00 0.00 C ATOM 69 NE ARG A 4 -10.648 -4.179 -2.957 1.00 0.00 N ATOM 70 CZ ARG A 4 -11.500 -4.576 -3.900 1.00 0.00 C ATOM 71 NH1 ARG A 4 -11.191 -5.589 -4.699 1.00 0.00 N ATOM 72 NH2 ARG A 4 -12.664 -3.958 -4.043 1.00 0.00 N ATOM 0 H ARG A 4 -4.755 -5.917 -2.506 1.00 0.00 H new ATOM 0 HA ARG A 4 -5.663 -3.386 -3.714 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -6.691 -5.488 -4.516 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -7.140 -5.913 -2.876 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -8.130 -3.255 -3.585 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -8.673 -4.462 -4.734 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -9.444 -5.883 -2.791 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -9.013 -4.573 -1.710 1.00 0.00 H new ATOM 0 HE ARG A 4 -10.920 -3.396 -2.363 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -10.297 -6.068 -4.593 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -11.848 -5.889 -5.420 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -12.906 -3.179 -3.431 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -13.317 -4.262 -4.765 1.00 0.00 H new ATOM 86 N LEU A 5 -6.237 -2.277 -1.593 1.00 0.00 N ATOM 87 CA LEU A 5 -6.594 -1.579 -0.363 1.00 0.00 C ATOM 88 C LEU A 5 -7.984 -1.992 0.110 1.00 0.00 C ATOM 89 O LEU A 5 -8.747 -2.605 -0.638 1.00 0.00 O ATOM 90 CB LEU A 5 -6.543 -0.066 -0.581 1.00 0.00 C ATOM 91 CG LEU A 5 -6.048 0.745 0.617 1.00 0.00 C ATOM 92 CD1 LEU A 5 -4.528 0.790 0.641 1.00 0.00 C ATOM 93 CD2 LEU A 5 -6.625 2.152 0.579 1.00 0.00 C ATOM 0 H LEU A 5 -5.991 -1.663 -2.369 1.00 0.00 H new ATOM 0 HA LEU A 5 -5.872 -1.852 0.407 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -5.895 0.141 -1.433 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -7.541 0.281 -0.848 1.00 0.00 H new ATOM 0 HG LEU A 5 -6.389 0.257 1.530 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -4.195 1.372 1.501 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -4.135 -0.224 0.715 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -4.163 1.255 -0.275 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -6.263 2.717 1.438 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -6.312 2.649 -0.339 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -7.713 2.100 0.611 1.00 0.00 H new ATOM 105 N LYS A 6 -8.307 -1.664 1.357 1.00 0.00 N ATOM 106 CA LYS A 6 -9.604 -2.015 1.923 1.00 0.00 C ATOM 107 C LYS A 6 -10.351 -0.786 2.439 1.00 0.00 C ATOM 108 O LYS A 6 -11.582 -0.761 2.444 1.00 0.00 O ATOM 109 CB LYS A 6 -9.429 -3.032 3.053 1.00 0.00 C ATOM 110 CG LYS A 6 -10.276 -4.281 2.879 1.00 0.00 C ATOM 111 CD LYS A 6 -11.749 -3.936 2.721 1.00 0.00 C ATOM 112 CE LYS A 6 -12.578 -5.164 2.376 1.00 0.00 C ATOM 113 NZ LYS A 6 -13.424 -4.942 1.171 1.00 0.00 N ATOM 0 H LYS A 6 -7.691 -1.157 1.993 1.00 0.00 H new ATOM 0 HA LYS A 6 -10.201 -2.456 1.125 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -8.379 -3.320 3.113 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -9.685 -2.558 4.001 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -9.935 -4.835 2.004 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -10.144 -4.935 3.741 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -12.121 -3.493 3.645 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -11.866 -3.186 1.939 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -11.916 -6.012 2.203 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -13.213 -5.423 3.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -13.973 -5.802 0.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -14.074 -4.149 1.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -12.817 -4.720 0.356 1.00 0.00 H new ATOM 127 N PHE A 7 -9.611 0.228 2.879 1.00 0.00 N ATOM 128 CA PHE A 7 -10.230 1.443 3.397 1.00 0.00 C ATOM 129 C PHE A 7 -9.336 2.659 3.172 1.00 0.00 C ATOM 130 O PHE A 7 -8.123 2.530 3.008 1.00 0.00 O ATOM 131 CB PHE A 7 -10.545 1.283 4.889 1.00 0.00 C ATOM 132 CG PHE A 7 -9.342 1.402 5.784 1.00 0.00 C ATOM 133 CD1 PHE A 7 -8.575 0.290 6.089 1.00 0.00 C ATOM 134 CD2 PHE A 7 -8.982 2.628 6.321 1.00 0.00 C ATOM 135 CE1 PHE A 7 -7.471 0.397 6.913 1.00 0.00 C ATOM 136 CE2 PHE A 7 -7.880 2.742 7.145 1.00 0.00 C ATOM 137 CZ PHE A 7 -7.123 1.625 7.441 1.00 0.00 C ATOM 0 H PHE A 7 -8.591 0.233 2.887 1.00 0.00 H new ATOM 0 HA PHE A 7 -11.160 1.605 2.853 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -11.277 2.037 5.178 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -11.010 0.310 5.050 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -8.843 -0.672 5.678 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -9.570 3.504 6.092 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -6.881 -0.478 7.144 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -7.610 3.703 7.557 1.00 0.00 H new ATOM 0 HZ PHE A 7 -6.260 1.712 8.085 1.00 0.00 H new ATOM 147 N ASP A 8 -9.947 3.839 3.169 1.00 0.00 N ATOM 148 CA ASP A 8 -9.211 5.080 2.966 1.00 0.00 C ATOM 149 C ASP A 8 -8.278 5.357 4.140 1.00 0.00 C ATOM 150 O ASP A 8 -8.727 5.607 5.258 1.00 0.00 O ATOM 151 CB ASP A 8 -10.180 6.250 2.783 1.00 0.00 C ATOM 152 CG ASP A 8 -11.258 6.285 3.850 1.00 0.00 C ATOM 153 OD1 ASP A 8 -11.172 5.489 4.809 1.00 0.00 O ATOM 154 OD2 ASP A 8 -12.189 7.108 3.726 1.00 0.00 O ATOM 0 H ASP A 8 -10.950 3.961 3.305 1.00 0.00 H new ATOM 0 HA ASP A 8 -8.609 4.972 2.064 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -9.622 7.186 2.804 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -10.648 6.180 1.801 1.00 0.00 H new ATOM 159 N PHE A 9 -6.976 5.311 3.876 1.00 0.00 N ATOM 160 CA PHE A 9 -5.979 5.559 4.910 1.00 0.00 C ATOM 161 C PHE A 9 -5.503 7.007 4.864 1.00 0.00 C ATOM 162 O PHE A 9 -5.158 7.523 3.802 1.00 0.00 O ATOM 163 CB PHE A 9 -4.790 4.612 4.738 1.00 0.00 C ATOM 164 CG PHE A 9 -3.736 4.772 5.797 1.00 0.00 C ATOM 165 CD1 PHE A 9 -3.893 4.189 7.043 1.00 0.00 C ATOM 166 CD2 PHE A 9 -2.588 5.507 5.544 1.00 0.00 C ATOM 167 CE1 PHE A 9 -2.925 4.335 8.019 1.00 0.00 C ATOM 168 CE2 PHE A 9 -1.617 5.656 6.516 1.00 0.00 C ATOM 169 CZ PHE A 9 -1.786 5.069 7.755 1.00 0.00 C ATOM 0 H PHE A 9 -6.588 5.104 2.956 1.00 0.00 H new ATOM 0 HA PHE A 9 -6.441 5.376 5.880 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -5.151 3.583 4.749 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -4.339 4.782 3.760 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -4.782 3.614 7.255 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -2.451 5.968 4.577 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -3.060 3.875 8.987 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -0.727 6.231 6.307 1.00 0.00 H new ATOM 0 HZ PHE A 9 -1.028 5.184 8.516 1.00 0.00 H new ATOM 179 N GLN A 10 -5.492 7.658 6.023 1.00 0.00 N ATOM 180 CA GLN A 10 -5.061 9.048 6.114 1.00 0.00 C ATOM 181 C GLN A 10 -3.591 9.140 6.508 1.00 0.00 C ATOM 182 O GLN A 10 -3.218 8.814 7.635 1.00 0.00 O ATOM 183 CB GLN A 10 -5.921 9.803 7.129 1.00 0.00 C ATOM 184 CG GLN A 10 -6.019 11.294 6.854 1.00 0.00 C ATOM 185 CD GLN A 10 -6.723 11.600 5.546 1.00 0.00 C ATOM 186 OE1 GLN A 10 -7.383 10.738 4.966 1.00 0.00 O ATOM 187 NE2 GLN A 10 -6.585 12.834 5.074 1.00 0.00 N ATOM 0 H GLN A 10 -5.776 7.245 6.911 1.00 0.00 H new ATOM 0 HA GLN A 10 -5.183 9.504 5.132 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -6.924 9.376 7.132 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -5.508 9.652 8.126 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -6.554 11.776 7.672 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -5.017 11.722 6.832 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -6.028 13.517 5.588 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -7.036 13.098 4.198 1.00 0.00 H new ATOM 196 N ALA A 11 -2.760 9.586 5.572 1.00 0.00 N ATOM 197 CA ALA A 11 -1.330 9.723 5.821 1.00 0.00 C ATOM 198 C ALA A 11 -1.048 10.879 6.774 1.00 0.00 C ATOM 199 O ALA A 11 -1.625 11.958 6.644 1.00 0.00 O ATOM 200 CB ALA A 11 -0.583 9.921 4.511 1.00 0.00 C ATOM 0 H ALA A 11 -3.053 9.859 4.634 1.00 0.00 H new ATOM 0 HA ALA A 11 -0.978 8.805 6.291 1.00 0.00 H new ATOM 0 HB1 ALA A 11 0.484 10.022 4.712 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -0.750 9.061 3.863 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -0.946 10.823 4.018 1.00 0.00 H new ATOM 206 N GLN A 12 -0.156 10.647 7.732 1.00 0.00 N ATOM 207 CA GLN A 12 0.203 11.667 8.706 1.00 0.00 C ATOM 208 C GLN A 12 1.558 12.284 8.373 1.00 0.00 C ATOM 209 O GLN A 12 1.767 13.483 8.553 1.00 0.00 O ATOM 210 CB GLN A 12 0.234 11.074 10.118 1.00 0.00 C ATOM 211 CG GLN A 12 0.691 9.624 10.172 1.00 0.00 C ATOM 212 CD GLN A 12 0.783 9.095 11.589 1.00 0.00 C ATOM 213 OE1 GLN A 12 0.085 8.150 11.958 1.00 0.00 O ATOM 214 NE2 GLN A 12 1.647 9.703 12.394 1.00 0.00 N ATOM 0 H GLN A 12 0.331 9.759 7.853 1.00 0.00 H new ATOM 0 HA GLN A 12 -0.555 12.450 8.667 1.00 0.00 H new ATOM 0 HB2 GLN A 12 0.897 11.676 10.739 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -0.763 11.146 10.553 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -0.003 9.007 9.602 1.00 0.00 H new ATOM 0 HG3 GLN A 12 1.665 9.536 9.691 1.00 0.00 H new ATOM 0 HE21 GLN A 12 2.206 10.483 12.047 1.00 0.00 H new ATOM 0 HE22 GLN A 12 1.752 9.390 13.359 1.00 0.00 H new ATOM 223 N SER A 13 2.475 11.455 7.886 1.00 0.00 N ATOM 224 CA SER A 13 3.810 11.918 7.527 1.00 0.00 C ATOM 225 C SER A 13 3.954 12.044 6.013 1.00 0.00 C ATOM 226 O SER A 13 3.257 11.368 5.256 1.00 0.00 O ATOM 227 CB SER A 13 4.869 10.959 8.074 1.00 0.00 C ATOM 228 OG SER A 13 5.327 11.377 9.349 1.00 0.00 O ATOM 0 H SER A 13 2.318 10.459 7.731 1.00 0.00 H new ATOM 0 HA SER A 13 3.957 12.903 7.971 1.00 0.00 H new ATOM 0 HB2 SER A 13 4.452 9.954 8.145 1.00 0.00 H new ATOM 0 HB3 SER A 13 5.709 10.907 7.382 1.00 0.00 H new ATOM 0 HG SER A 13 6.002 10.746 9.677 1.00 0.00 H new ATOM 234 N PRO A 14 4.865 12.916 5.549 1.00 0.00 N ATOM 235 CA PRO A 14 5.097 13.129 4.116 1.00 0.00 C ATOM 236 C PRO A 14 5.430 11.832 3.385 1.00 0.00 C ATOM 237 O PRO A 14 5.171 11.698 2.189 1.00 0.00 O ATOM 238 CB PRO A 14 6.295 14.083 4.081 1.00 0.00 C ATOM 239 CG PRO A 14 6.275 14.769 5.403 1.00 0.00 C ATOM 240 CD PRO A 14 5.738 13.763 6.381 1.00 0.00 C ATOM 0 HA PRO A 14 4.211 13.521 3.617 1.00 0.00 H new ATOM 0 HB2 PRO A 14 7.228 13.540 3.931 1.00 0.00 H new ATOM 0 HB3 PRO A 14 6.207 14.798 3.263 1.00 0.00 H new ATOM 0 HG2 PRO A 14 7.275 15.096 5.688 1.00 0.00 H new ATOM 0 HG3 PRO A 14 5.645 15.658 5.372 1.00 0.00 H new ATOM 0 HD2 PRO A 14 6.538 13.185 6.844 1.00 0.00 H new ATOM 0 HD3 PRO A 14 5.184 14.242 7.188 1.00 0.00 H new ATOM 248 N LYS A 15 6.006 10.880 4.112 1.00 0.00 N ATOM 249 CA LYS A 15 6.373 9.594 3.532 1.00 0.00 C ATOM 250 C LYS A 15 5.135 8.748 3.254 1.00 0.00 C ATOM 251 O LYS A 15 5.128 7.921 2.341 1.00 0.00 O ATOM 252 CB LYS A 15 7.319 8.840 4.470 1.00 0.00 C ATOM 253 CG LYS A 15 7.983 7.635 3.825 1.00 0.00 C ATOM 254 CD LYS A 15 8.630 6.734 4.864 1.00 0.00 C ATOM 255 CE LYS A 15 9.950 7.307 5.353 1.00 0.00 C ATOM 256 NZ LYS A 15 9.770 8.171 6.553 1.00 0.00 N ATOM 0 H LYS A 15 6.228 10.975 5.103 1.00 0.00 H new ATOM 0 HA LYS A 15 6.882 9.782 2.587 1.00 0.00 H new ATOM 0 HB2 LYS A 15 8.091 9.525 4.821 1.00 0.00 H new ATOM 0 HB3 LYS A 15 6.762 8.511 5.347 1.00 0.00 H new ATOM 0 HG2 LYS A 15 7.242 7.068 3.261 1.00 0.00 H new ATOM 0 HG3 LYS A 15 8.737 7.971 3.113 1.00 0.00 H new ATOM 0 HD2 LYS A 15 7.953 6.606 5.708 1.00 0.00 H new ATOM 0 HD3 LYS A 15 8.797 5.745 4.436 1.00 0.00 H new ATOM 0 HE2 LYS A 15 10.633 6.492 5.592 1.00 0.00 H new ATOM 0 HE3 LYS A 15 10.412 7.887 4.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 10.282 9.066 6.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 8.758 8.368 6.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 10.144 7.683 7.392 1.00 0.00 H new ATOM 270 N GLU A 16 4.088 8.960 4.045 1.00 0.00 N ATOM 271 CA GLU A 16 2.844 8.218 3.882 1.00 0.00 C ATOM 272 C GLU A 16 1.980 8.836 2.788 1.00 0.00 C ATOM 273 O GLU A 16 2.133 10.010 2.452 1.00 0.00 O ATOM 274 CB GLU A 16 2.072 8.186 5.202 1.00 0.00 C ATOM 275 CG GLU A 16 2.499 7.061 6.130 1.00 0.00 C ATOM 276 CD GLU A 16 1.506 6.820 7.250 1.00 0.00 C ATOM 277 OE1 GLU A 16 1.032 7.810 7.846 1.00 0.00 O ATOM 278 OE2 GLU A 16 1.203 5.641 7.531 1.00 0.00 O ATOM 0 H GLU A 16 4.077 9.640 4.805 1.00 0.00 H new ATOM 0 HA GLU A 16 3.093 7.198 3.588 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.206 9.139 5.714 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.008 8.085 4.988 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.619 6.144 5.552 1.00 0.00 H new ATOM 0 HG3 GLU A 16 3.473 7.298 6.558 1.00 0.00 H new ATOM 285 N LEU A 17 1.073 8.038 2.234 1.00 0.00 N ATOM 286 CA LEU A 17 0.185 8.508 1.177 1.00 0.00 C ATOM 287 C LEU A 17 -1.264 8.135 1.474 1.00 0.00 C ATOM 288 O LEU A 17 -1.555 7.013 1.887 1.00 0.00 O ATOM 289 CB LEU A 17 0.607 7.919 -0.171 1.00 0.00 C ATOM 290 CG LEU A 17 -0.146 8.474 -1.382 1.00 0.00 C ATOM 291 CD1 LEU A 17 0.697 9.511 -2.108 1.00 0.00 C ATOM 292 CD2 LEU A 17 -0.540 7.349 -2.328 1.00 0.00 C ATOM 0 H LEU A 17 0.934 7.063 2.499 1.00 0.00 H new ATOM 0 HA LEU A 17 0.259 9.595 1.133 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.673 8.098 -0.311 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.467 6.839 -0.139 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.055 8.959 -1.027 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.144 9.894 -2.966 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.928 10.332 -1.429 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.624 9.051 -2.450 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.074 7.763 -3.183 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.356 6.834 -2.675 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.184 6.643 -1.805 1.00 0.00 H new ATOM 304 N THR A 18 -2.169 9.085 1.261 1.00 0.00 N ATOM 305 CA THR A 18 -3.588 8.856 1.504 1.00 0.00 C ATOM 306 C THR A 18 -4.282 8.353 0.242 1.00 0.00 C ATOM 307 O THR A 18 -4.220 8.993 -0.808 1.00 0.00 O ATOM 308 CB THR A 18 -4.258 10.142 1.991 1.00 0.00 C ATOM 309 OG1 THR A 18 -3.622 10.626 3.161 1.00 0.00 O ATOM 310 CG2 THR A 18 -5.728 9.971 2.305 1.00 0.00 C ATOM 0 H THR A 18 -1.945 10.020 0.921 1.00 0.00 H new ATOM 0 HA THR A 18 -3.680 8.092 2.276 1.00 0.00 H new ATOM 0 HB THR A 18 -4.160 10.848 1.166 1.00 0.00 H new ATOM 0 HG1 THR A 18 -4.063 11.450 3.456 1.00 0.00 H new ATOM 0 HG21 THR A 18 -6.140 10.921 2.645 1.00 0.00 H new ATOM 0 HG22 THR A 18 -6.256 9.646 1.409 1.00 0.00 H new ATOM 0 HG23 THR A 18 -5.848 9.223 3.088 1.00 0.00 H new ATOM 318 N LEU A 19 -4.942 7.204 0.351 1.00 0.00 N ATOM 319 CA LEU A 19 -5.645 6.618 -0.785 1.00 0.00 C ATOM 320 C LEU A 19 -6.900 5.878 -0.332 1.00 0.00 C ATOM 321 O LEU A 19 -6.896 5.200 0.695 1.00 0.00 O ATOM 322 CB LEU A 19 -4.723 5.663 -1.546 1.00 0.00 C ATOM 323 CG LEU A 19 -4.361 4.375 -0.803 1.00 0.00 C ATOM 324 CD1 LEU A 19 -3.982 3.281 -1.789 1.00 0.00 C ATOM 325 CD2 LEU A 19 -3.225 4.627 0.179 1.00 0.00 C ATOM 0 H LEU A 19 -5.005 6.661 1.212 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.945 7.429 -1.448 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.200 5.397 -2.489 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.802 6.192 -1.793 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.234 4.044 -0.240 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.727 2.372 -1.244 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.823 3.082 -2.453 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.123 3.603 -2.378 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.981 3.700 0.698 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.348 4.981 -0.362 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.532 5.380 0.905 1.00 0.00 H new ATOM 337 N GLN A 20 -7.971 6.012 -1.108 1.00 0.00 N ATOM 338 CA GLN A 20 -9.234 5.354 -0.790 1.00 0.00 C ATOM 339 C GLN A 20 -9.213 3.897 -1.241 1.00 0.00 C ATOM 340 O GLN A 20 -8.436 3.521 -2.118 1.00 0.00 O ATOM 341 CB GLN A 20 -10.398 6.090 -1.455 1.00 0.00 C ATOM 342 CG GLN A 20 -11.684 6.052 -0.645 1.00 0.00 C ATOM 343 CD GLN A 20 -12.919 6.248 -1.503 1.00 0.00 C ATOM 344 OE1 GLN A 20 -13.065 5.623 -2.553 1.00 0.00 O ATOM 345 NE2 GLN A 20 -13.816 7.120 -1.058 1.00 0.00 N ATOM 0 H GLN A 20 -7.990 6.570 -1.962 1.00 0.00 H new ATOM 0 HA GLN A 20 -9.369 5.380 0.291 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -10.113 7.129 -1.620 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -10.583 5.650 -2.435 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -11.754 5.096 -0.126 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -11.650 6.828 0.120 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -13.654 7.616 -0.182 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -14.667 7.294 -1.592 1.00 0.00 H new ATOM 354 N LYS A 21 -10.069 3.080 -0.636 1.00 0.00 N ATOM 355 CA LYS A 21 -10.145 1.668 -0.974 1.00 0.00 C ATOM 356 C LYS A 21 -10.516 1.475 -2.441 1.00 0.00 C ATOM 357 O LYS A 21 -11.022 2.390 -3.090 1.00 0.00 O ATOM 358 CB LYS A 21 -11.163 0.968 -0.075 1.00 0.00 C ATOM 359 CG LYS A 21 -12.599 1.404 -0.315 1.00 0.00 C ATOM 360 CD LYS A 21 -13.293 0.505 -1.325 1.00 0.00 C ATOM 361 CE LYS A 21 -14.788 0.778 -1.379 1.00 0.00 C ATOM 362 NZ LYS A 21 -15.552 -0.404 -1.867 1.00 0.00 N ATOM 0 H LYS A 21 -10.720 3.375 0.092 1.00 0.00 H new ATOM 0 HA LYS A 21 -9.162 1.225 -0.813 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -11.090 -0.109 -0.229 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -10.905 1.159 0.967 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -13.148 1.387 0.627 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -12.613 2.433 -0.673 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -12.858 0.661 -2.312 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -13.122 -0.539 -1.062 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -15.142 1.054 -0.386 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -14.978 1.629 -2.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -16.567 -0.177 -1.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -15.232 -0.653 -2.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -15.391 -1.209 -1.228 1.00 0.00 H new ATOM 376 N GLY A 22 -10.260 0.277 -2.956 1.00 0.00 N ATOM 377 CA GLY A 22 -10.572 -0.017 -4.343 1.00 0.00 C ATOM 378 C GLY A 22 -9.394 0.214 -5.273 1.00 0.00 C ATOM 379 O GLY A 22 -9.461 -0.114 -6.457 1.00 0.00 O ATOM 0 H GLY A 22 -9.842 -0.496 -2.438 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -10.896 -1.054 -4.426 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -11.408 0.605 -4.662 1.00 0.00 H new ATOM 383 N ASP A 23 -8.313 0.781 -4.741 1.00 0.00 N ATOM 384 CA ASP A 23 -7.124 1.052 -5.540 1.00 0.00 C ATOM 385 C ASP A 23 -6.080 -0.045 -5.354 1.00 0.00 C ATOM 386 O ASP A 23 -5.978 -0.644 -4.284 1.00 0.00 O ATOM 387 CB ASP A 23 -6.528 2.409 -5.161 1.00 0.00 C ATOM 388 CG ASP A 23 -7.040 3.531 -6.044 1.00 0.00 C ATOM 389 OD1 ASP A 23 -6.707 3.538 -7.247 1.00 0.00 O ATOM 390 OD2 ASP A 23 -7.773 4.403 -5.531 1.00 0.00 O ATOM 0 H ASP A 23 -8.238 1.060 -3.763 1.00 0.00 H new ATOM 0 HA ASP A 23 -7.419 1.072 -6.589 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -6.767 2.630 -4.121 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.442 2.359 -5.234 1.00 0.00 H new ATOM 395 N ILE A 24 -5.306 -0.301 -6.404 1.00 0.00 N ATOM 396 CA ILE A 24 -4.267 -1.323 -6.358 1.00 0.00 C ATOM 397 C ILE A 24 -2.881 -0.703 -6.495 1.00 0.00 C ATOM 398 O ILE A 24 -2.681 0.227 -7.276 1.00 0.00 O ATOM 399 CB ILE A 24 -4.460 -2.372 -7.470 1.00 0.00 C ATOM 400 CG1 ILE A 24 -5.911 -2.856 -7.499 1.00 0.00 C ATOM 401 CG2 ILE A 24 -3.510 -3.542 -7.265 1.00 0.00 C ATOM 402 CD1 ILE A 24 -6.375 -3.458 -6.190 1.00 0.00 C ATOM 0 H ILE A 24 -5.379 0.186 -7.297 1.00 0.00 H new ATOM 0 HA ILE A 24 -4.349 -1.814 -5.388 1.00 0.00 H new ATOM 0 HB ILE A 24 -4.232 -1.908 -8.430 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -6.560 -2.018 -7.754 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -6.022 -3.598 -8.290 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -3.658 -4.275 -8.058 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -2.481 -3.184 -7.290 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.709 -4.007 -6.300 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -7.412 -3.779 -6.285 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -5.751 -4.317 -5.943 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -6.297 -2.713 -5.399 1.00 0.00 H new ATOM 414 N VAL A 25 -1.926 -1.223 -5.730 1.00 0.00 N ATOM 415 CA VAL A 25 -0.559 -0.718 -5.767 1.00 0.00 C ATOM 416 C VAL A 25 0.447 -1.856 -5.897 1.00 0.00 C ATOM 417 O VAL A 25 0.179 -2.986 -5.488 1.00 0.00 O ATOM 418 CB VAL A 25 -0.229 0.101 -4.505 1.00 0.00 C ATOM 419 CG1 VAL A 25 -1.080 1.360 -4.446 1.00 0.00 C ATOM 420 CG2 VAL A 25 -0.426 -0.743 -3.254 1.00 0.00 C ATOM 0 H VAL A 25 -2.074 -1.993 -5.078 1.00 0.00 H new ATOM 0 HA VAL A 25 -0.486 -0.072 -6.642 1.00 0.00 H new ATOM 0 HB VAL A 25 0.818 0.401 -4.553 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.832 1.925 -3.547 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -0.884 1.973 -5.326 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -2.135 1.086 -4.423 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.188 -0.148 -2.372 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.463 -1.075 -3.199 1.00 0.00 H new ATOM 0 HG23 VAL A 25 0.232 -1.611 -3.294 1.00 0.00 H new ATOM 430 N TYR A 26 1.608 -1.550 -6.469 1.00 0.00 N ATOM 431 CA TYR A 26 2.657 -2.546 -6.653 1.00 0.00 C ATOM 432 C TYR A 26 3.720 -2.421 -5.566 1.00 0.00 C ATOM 433 O TYR A 26 4.496 -1.466 -5.550 1.00 0.00 O ATOM 434 CB TYR A 26 3.300 -2.390 -8.032 1.00 0.00 C ATOM 435 CG TYR A 26 2.323 -2.546 -9.176 1.00 0.00 C ATOM 436 CD1 TYR A 26 1.296 -1.630 -9.367 1.00 0.00 C ATOM 437 CD2 TYR A 26 2.429 -3.609 -10.064 1.00 0.00 C ATOM 438 CE1 TYR A 26 0.401 -1.770 -10.411 1.00 0.00 C ATOM 439 CE2 TYR A 26 1.538 -3.755 -11.111 1.00 0.00 C ATOM 440 CZ TYR A 26 0.526 -2.833 -11.280 1.00 0.00 C ATOM 441 OH TYR A 26 -0.363 -2.976 -12.320 1.00 0.00 O ATOM 0 H TYR A 26 1.845 -0.620 -6.813 1.00 0.00 H new ATOM 0 HA TYR A 26 2.203 -3.535 -6.581 1.00 0.00 H new ATOM 0 HB2 TYR A 26 3.768 -1.408 -8.096 1.00 0.00 H new ATOM 0 HB3 TYR A 26 4.094 -3.129 -8.139 1.00 0.00 H new ATOM 0 HD1 TYR A 26 1.195 -0.795 -8.689 1.00 0.00 H new ATOM 0 HD2 TYR A 26 3.220 -4.333 -9.934 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -0.393 -1.050 -10.545 1.00 0.00 H new ATOM 0 HE2 TYR A 26 1.634 -4.587 -11.793 1.00 0.00 H new ATOM 0 HH TYR A 26 -0.134 -3.776 -12.838 1.00 0.00 H new ATOM 451 N ILE A 27 3.744 -3.389 -4.656 1.00 0.00 N ATOM 452 CA ILE A 27 4.708 -3.386 -3.561 1.00 0.00 C ATOM 453 C ILE A 27 6.060 -3.930 -4.011 1.00 0.00 C ATOM 454 O ILE A 27 6.139 -4.992 -4.629 1.00 0.00 O ATOM 455 CB ILE A 27 4.209 -4.219 -2.361 1.00 0.00 C ATOM 456 CG1 ILE A 27 2.694 -4.069 -2.186 1.00 0.00 C ATOM 457 CG2 ILE A 27 4.936 -3.806 -1.091 1.00 0.00 C ATOM 458 CD1 ILE A 27 2.223 -2.630 -2.166 1.00 0.00 C ATOM 0 H ILE A 27 3.107 -4.186 -4.655 1.00 0.00 H new ATOM 0 HA ILE A 27 4.821 -2.347 -3.251 1.00 0.00 H new ATOM 0 HB ILE A 27 4.425 -5.269 -2.560 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.190 -4.596 -2.996 1.00 0.00 H new ATOM 0 HG13 ILE A 27 2.395 -4.553 -1.256 1.00 0.00 H new ATOM 0 HG21 ILE A 27 4.573 -4.402 -0.254 1.00 0.00 H new ATOM 0 HG22 ILE A 27 6.007 -3.969 -1.215 1.00 0.00 H new ATOM 0 HG23 ILE A 27 4.750 -2.751 -0.892 1.00 0.00 H new ATOM 0 HD11 ILE A 27 1.141 -2.603 -2.039 1.00 0.00 H new ATOM 0 HD12 ILE A 27 2.699 -2.103 -1.339 1.00 0.00 H new ATOM 0 HD13 ILE A 27 2.490 -2.147 -3.106 1.00 0.00 H new ATOM 470 N HIS A 28 7.123 -3.197 -3.694 1.00 0.00 N ATOM 471 CA HIS A 28 8.473 -3.607 -4.061 1.00 0.00 C ATOM 472 C HIS A 28 9.127 -4.386 -2.924 1.00 0.00 C ATOM 473 O HIS A 28 9.720 -5.443 -3.141 1.00 0.00 O ATOM 474 CB HIS A 28 9.323 -2.384 -4.413 1.00 0.00 C ATOM 475 CG HIS A 28 9.378 -2.095 -5.881 1.00 0.00 C ATOM 476 ND1 HIS A 28 10.560 -1.931 -6.573 1.00 0.00 N ATOM 477 CD2 HIS A 28 8.387 -1.940 -6.791 1.00 0.00 C ATOM 478 CE1 HIS A 28 10.294 -1.687 -7.844 1.00 0.00 C ATOM 479 NE2 HIS A 28 8.983 -1.688 -8.002 1.00 0.00 N ATOM 0 H HIS A 28 7.075 -2.315 -3.183 1.00 0.00 H new ATOM 0 HA HIS A 28 8.407 -4.256 -4.934 1.00 0.00 H new ATOM 0 HB2 HIS A 28 8.923 -1.513 -3.894 1.00 0.00 H new ATOM 0 HB3 HIS A 28 10.337 -2.538 -4.043 1.00 0.00 H new ATOM 0 HD2 HIS A 28 7.326 -2.003 -6.600 1.00 0.00 H new ATOM 0 HE1 HIS A 28 11.024 -1.516 -8.621 1.00 0.00 H new ATOM 0 HE2 HIS A 28 8.492 -1.527 -8.882 1.00 0.00 H new ATOM 488 N LYS A 29 9.011 -3.856 -1.710 1.00 0.00 N ATOM 489 CA LYS A 29 9.586 -4.499 -0.533 1.00 0.00 C ATOM 490 C LYS A 29 8.537 -4.650 0.564 1.00 0.00 C ATOM 491 O LYS A 29 7.611 -3.845 0.663 1.00 0.00 O ATOM 492 CB LYS A 29 10.776 -3.691 -0.012 1.00 0.00 C ATOM 493 CG LYS A 29 10.542 -2.189 -0.021 1.00 0.00 C ATOM 494 CD LYS A 29 11.422 -1.483 0.999 1.00 0.00 C ATOM 495 CE LYS A 29 10.655 -1.164 2.273 1.00 0.00 C ATOM 496 NZ LYS A 29 10.534 0.304 2.495 1.00 0.00 N ATOM 0 H LYS A 29 8.523 -2.982 -1.515 1.00 0.00 H new ATOM 0 HA LYS A 29 9.933 -5.491 -0.822 1.00 0.00 H new ATOM 0 HB2 LYS A 29 11.003 -4.009 1.006 1.00 0.00 H new ATOM 0 HB3 LYS A 29 11.652 -3.918 -0.619 1.00 0.00 H new ATOM 0 HG2 LYS A 29 10.747 -1.794 -1.016 1.00 0.00 H new ATOM 0 HG3 LYS A 29 9.494 -1.981 0.195 1.00 0.00 H new ATOM 0 HD2 LYS A 29 12.280 -2.112 1.238 1.00 0.00 H new ATOM 0 HD3 LYS A 29 11.812 -0.561 0.568 1.00 0.00 H new ATOM 0 HE2 LYS A 29 9.660 -1.606 2.218 1.00 0.00 H new ATOM 0 HE3 LYS A 29 11.160 -1.620 3.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 9.567 0.530 2.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 11.211 0.601 3.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 10.739 0.807 1.608 1.00 0.00 H new ATOM 510 N GLU A 30 8.684 -5.687 1.382 1.00 0.00 N ATOM 511 CA GLU A 30 7.742 -5.941 2.466 1.00 0.00 C ATOM 512 C GLU A 30 8.408 -5.799 3.826 1.00 0.00 C ATOM 513 O GLU A 30 9.114 -6.698 4.283 1.00 0.00 O ATOM 514 CB GLU A 30 7.133 -7.337 2.327 1.00 0.00 C ATOM 515 CG GLU A 30 6.735 -7.689 0.902 1.00 0.00 C ATOM 516 CD GLU A 30 5.397 -8.398 0.829 1.00 0.00 C ATOM 517 OE1 GLU A 30 5.134 -9.260 1.693 1.00 0.00 O ATOM 518 OE2 GLU A 30 4.612 -8.091 -0.093 1.00 0.00 O ATOM 0 H GLU A 30 9.444 -6.364 1.315 1.00 0.00 H new ATOM 0 HA GLU A 30 6.950 -5.195 2.397 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.850 -8.075 2.688 1.00 0.00 H new ATOM 0 HB3 GLU A 30 6.254 -7.406 2.968 1.00 0.00 H new ATOM 0 HG2 GLU A 30 6.692 -6.778 0.305 1.00 0.00 H new ATOM 0 HG3 GLU A 30 7.503 -8.324 0.460 1.00 0.00 H new ATOM 525 N VAL A 31 8.158 -4.669 4.477 1.00 0.00 N ATOM 526 CA VAL A 31 8.714 -4.415 5.797 1.00 0.00 C ATOM 527 C VAL A 31 7.710 -4.813 6.867 1.00 0.00 C ATOM 528 O VAL A 31 6.814 -4.047 7.220 1.00 0.00 O ATOM 529 CB VAL A 31 9.100 -2.940 6.005 1.00 0.00 C ATOM 530 CG1 VAL A 31 10.414 -2.835 6.765 1.00 0.00 C ATOM 531 CG2 VAL A 31 9.186 -2.199 4.678 1.00 0.00 C ATOM 0 H VAL A 31 7.575 -3.916 4.112 1.00 0.00 H new ATOM 0 HA VAL A 31 9.622 -5.014 5.875 1.00 0.00 H new ATOM 0 HB VAL A 31 8.317 -2.469 6.599 1.00 0.00 H new ATOM 0 HG11 VAL A 31 10.672 -1.785 6.903 1.00 0.00 H new ATOM 0 HG12 VAL A 31 10.311 -3.314 7.738 1.00 0.00 H new ATOM 0 HG13 VAL A 31 11.203 -3.331 6.199 1.00 0.00 H new ATOM 0 HG21 VAL A 31 9.461 -1.160 4.859 1.00 0.00 H new ATOM 0 HG22 VAL A 31 9.940 -2.669 4.047 1.00 0.00 H new ATOM 0 HG23 VAL A 31 8.219 -2.237 4.177 1.00 0.00 H new ATOM 541 N ASP A 32 7.867 -6.025 7.359 1.00 0.00 N ATOM 542 CA ASP A 32 6.979 -6.571 8.379 1.00 0.00 C ATOM 543 C ASP A 32 7.040 -5.769 9.679 1.00 0.00 C ATOM 544 O ASP A 32 6.178 -5.922 10.544 1.00 0.00 O ATOM 545 CB ASP A 32 7.333 -8.033 8.657 1.00 0.00 C ATOM 546 CG ASP A 32 7.008 -8.938 7.485 1.00 0.00 C ATOM 547 OD1 ASP A 32 5.849 -9.394 7.391 1.00 0.00 O ATOM 548 OD2 ASP A 32 7.912 -9.192 6.662 1.00 0.00 O ATOM 0 H ASP A 32 8.609 -6.661 7.068 1.00 0.00 H new ATOM 0 HA ASP A 32 5.961 -6.505 7.994 1.00 0.00 H new ATOM 0 HB2 ASP A 32 8.395 -8.109 8.888 1.00 0.00 H new ATOM 0 HB3 ASP A 32 6.790 -8.375 9.538 1.00 0.00 H new ATOM 553 N LYS A 33 8.053 -4.914 9.820 1.00 0.00 N ATOM 554 CA LYS A 33 8.194 -4.102 11.027 1.00 0.00 C ATOM 555 C LYS A 33 6.878 -3.404 11.365 1.00 0.00 C ATOM 556 O LYS A 33 6.372 -3.523 12.480 1.00 0.00 O ATOM 557 CB LYS A 33 9.303 -3.064 10.845 1.00 0.00 C ATOM 558 CG LYS A 33 9.980 -2.662 12.147 1.00 0.00 C ATOM 559 CD LYS A 33 10.056 -1.149 12.301 1.00 0.00 C ATOM 560 CE LYS A 33 9.361 -0.681 13.570 1.00 0.00 C ATOM 561 NZ LYS A 33 9.643 0.752 13.862 1.00 0.00 N ATOM 0 H LYS A 33 8.781 -4.767 9.121 1.00 0.00 H new ATOM 0 HA LYS A 33 8.460 -4.763 11.852 1.00 0.00 H new ATOM 0 HB2 LYS A 33 10.054 -3.462 10.163 1.00 0.00 H new ATOM 0 HB3 LYS A 33 8.884 -2.175 10.374 1.00 0.00 H new ATOM 0 HG2 LYS A 33 9.431 -3.086 12.988 1.00 0.00 H new ATOM 0 HG3 LYS A 33 10.986 -3.082 12.179 1.00 0.00 H new ATOM 0 HD2 LYS A 33 11.100 -0.836 12.321 1.00 0.00 H new ATOM 0 HD3 LYS A 33 9.596 -0.671 11.436 1.00 0.00 H new ATOM 0 HE2 LYS A 33 8.285 -0.826 13.469 1.00 0.00 H new ATOM 0 HE3 LYS A 33 9.688 -1.294 14.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 9.151 1.032 14.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 10.667 0.887 13.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 9.308 1.340 13.072 1.00 0.00 H new ATOM 575 N ASN A 34 6.325 -2.694 10.380 1.00 0.00 N ATOM 576 CA ASN A 34 5.049 -1.984 10.547 1.00 0.00 C ATOM 577 C ASN A 34 4.823 -0.934 9.453 1.00 0.00 C ATOM 578 O ASN A 34 4.076 0.023 9.658 1.00 0.00 O ATOM 579 CB ASN A 34 4.974 -1.304 11.921 1.00 0.00 C ATOM 580 CG ASN A 34 3.933 -1.935 12.826 1.00 0.00 C ATOM 581 OD1 ASN A 34 3.224 -1.240 13.554 1.00 0.00 O ATOM 582 ND2 ASN A 34 3.834 -3.259 12.785 1.00 0.00 N ATOM 0 H ASN A 34 6.740 -2.593 9.454 1.00 0.00 H new ATOM 0 HA ASN A 34 4.265 -2.737 10.468 1.00 0.00 H new ATOM 0 HB2 ASN A 34 5.950 -1.358 12.403 1.00 0.00 H new ATOM 0 HB3 ASN A 34 4.742 -0.247 11.788 1.00 0.00 H new ATOM 0 HD21 ASN A 34 3.150 -3.738 13.372 1.00 0.00 H new ATOM 0 HD22 ASN A 34 4.441 -3.797 12.167 1.00 0.00 H new ATOM 589 N TRP A 35 5.454 -1.109 8.294 1.00 0.00 N ATOM 590 CA TRP A 35 5.293 -0.165 7.195 1.00 0.00 C ATOM 591 C TRP A 35 5.682 -0.802 5.864 1.00 0.00 C ATOM 592 O TRP A 35 6.841 -1.151 5.652 1.00 0.00 O ATOM 593 CB TRP A 35 6.141 1.083 7.448 1.00 0.00 C ATOM 594 CG TRP A 35 5.341 2.348 7.488 1.00 0.00 C ATOM 595 CD1 TRP A 35 4.169 2.598 6.835 1.00 0.00 C ATOM 596 CD2 TRP A 35 5.654 3.538 8.222 1.00 0.00 C ATOM 597 NE1 TRP A 35 3.734 3.870 7.116 1.00 0.00 N ATOM 598 CE2 TRP A 35 4.628 4.467 7.966 1.00 0.00 C ATOM 599 CE3 TRP A 35 6.701 3.907 9.071 1.00 0.00 C ATOM 600 CZ2 TRP A 35 4.620 5.741 8.528 1.00 0.00 C ATOM 601 CZ3 TRP A 35 6.692 5.172 9.628 1.00 0.00 C ATOM 602 CH2 TRP A 35 5.657 6.076 9.355 1.00 0.00 C ATOM 0 H TRP A 35 6.077 -1.891 8.094 1.00 0.00 H new ATOM 0 HA TRP A 35 4.242 0.120 7.141 1.00 0.00 H new ATOM 0 HB2 TRP A 35 6.671 0.967 8.393 1.00 0.00 H new ATOM 0 HB3 TRP A 35 6.897 1.164 6.667 1.00 0.00 H new ATOM 0 HD1 TRP A 35 3.658 1.898 6.191 1.00 0.00 H new ATOM 0 HE1 TRP A 35 2.884 4.300 6.751 1.00 0.00 H new ATOM 0 HE3 TRP A 35 7.502 3.216 9.288 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 3.824 6.440 8.318 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 7.496 5.469 10.285 1.00 0.00 H new ATOM 0 HH2 TRP A 35 5.678 7.057 9.806 1.00 0.00 H new ATOM 613 N LEU A 36 4.710 -0.947 4.969 1.00 0.00 N ATOM 614 CA LEU A 36 4.952 -1.535 3.668 1.00 0.00 C ATOM 615 C LEU A 36 5.268 -0.462 2.631 1.00 0.00 C ATOM 616 O LEU A 36 4.692 0.623 2.656 1.00 0.00 O ATOM 617 CB LEU A 36 3.719 -2.312 3.245 1.00 0.00 C ATOM 618 CG LEU A 36 3.889 -3.146 1.988 1.00 0.00 C ATOM 619 CD1 LEU A 36 4.279 -4.566 2.359 1.00 0.00 C ATOM 620 CD2 LEU A 36 2.606 -3.121 1.176 1.00 0.00 C ATOM 0 H LEU A 36 3.744 -0.662 5.128 1.00 0.00 H new ATOM 0 HA LEU A 36 5.813 -2.201 3.735 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.424 -2.970 4.063 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.900 -1.609 3.089 1.00 0.00 H new ATOM 0 HG LEU A 36 4.687 -2.725 1.376 1.00 0.00 H new ATOM 0 HD11 LEU A 36 4.399 -5.159 1.452 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.219 -4.553 2.911 1.00 0.00 H new ATOM 0 HD13 LEU A 36 3.499 -5.007 2.980 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.734 -3.721 0.275 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.790 -3.530 1.772 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.372 -2.094 0.897 1.00 0.00 H new ATOM 632 N GLU A 37 6.180 -0.773 1.716 1.00 0.00 N ATOM 633 CA GLU A 37 6.561 0.173 0.672 1.00 0.00 C ATOM 634 C GLU A 37 5.865 -0.154 -0.644 1.00 0.00 C ATOM 635 O GLU A 37 5.969 -1.270 -1.152 1.00 0.00 O ATOM 636 CB GLU A 37 8.077 0.167 0.475 1.00 0.00 C ATOM 637 CG GLU A 37 8.654 1.538 0.161 1.00 0.00 C ATOM 638 CD GLU A 37 9.790 1.477 -0.842 1.00 0.00 C ATOM 639 OE1 GLU A 37 10.435 0.412 -0.943 1.00 0.00 O ATOM 640 OE2 GLU A 37 10.034 2.493 -1.525 1.00 0.00 O ATOM 0 H GLU A 37 6.667 -1.668 1.675 1.00 0.00 H new ATOM 0 HA GLU A 37 6.247 1.167 0.990 1.00 0.00 H new ATOM 0 HB2 GLU A 37 8.551 -0.220 1.377 1.00 0.00 H new ATOM 0 HB3 GLU A 37 8.327 -0.518 -0.335 1.00 0.00 H new ATOM 0 HG2 GLU A 37 7.864 2.180 -0.229 1.00 0.00 H new ATOM 0 HG3 GLU A 37 9.012 1.997 1.082 1.00 0.00 H new ATOM 647 N GLY A 38 5.155 0.827 -1.191 1.00 0.00 N ATOM 648 CA GLY A 38 4.452 0.623 -2.444 1.00 0.00 C ATOM 649 C GLY A 38 4.349 1.894 -3.263 1.00 0.00 C ATOM 650 O GLY A 38 4.408 2.997 -2.720 1.00 0.00 O ATOM 0 H GLY A 38 5.054 1.759 -0.789 1.00 0.00 H new ATOM 0 HA2 GLY A 38 4.968 -0.140 -3.027 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.451 0.245 -2.238 1.00 0.00 H new ATOM 654 N GLU A 39 4.194 1.740 -4.574 1.00 0.00 N ATOM 655 CA GLU A 39 4.083 2.886 -5.469 1.00 0.00 C ATOM 656 C GLU A 39 3.146 2.581 -6.633 1.00 0.00 C ATOM 657 O GLU A 39 2.889 1.419 -6.950 1.00 0.00 O ATOM 658 CB GLU A 39 5.463 3.286 -5.999 1.00 0.00 C ATOM 659 CG GLU A 39 6.362 2.104 -6.319 1.00 0.00 C ATOM 660 CD GLU A 39 7.671 2.523 -6.958 1.00 0.00 C ATOM 661 OE1 GLU A 39 8.440 3.262 -6.307 1.00 0.00 O ATOM 662 OE2 GLU A 39 7.929 2.112 -8.109 1.00 0.00 O ATOM 0 H GLU A 39 4.142 0.834 -5.040 1.00 0.00 H new ATOM 0 HA GLU A 39 3.667 3.717 -4.900 1.00 0.00 H new ATOM 0 HB2 GLU A 39 5.336 3.888 -6.899 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.957 3.917 -5.260 1.00 0.00 H new ATOM 0 HG2 GLU A 39 6.570 1.552 -5.402 1.00 0.00 H new ATOM 0 HG3 GLU A 39 5.836 1.423 -6.989 1.00 0.00 H new ATOM 669 N HIS A 40 2.637 3.633 -7.263 1.00 0.00 N ATOM 670 CA HIS A 40 1.726 3.487 -8.391 1.00 0.00 C ATOM 671 C HIS A 40 1.880 4.654 -9.363 1.00 0.00 C ATOM 672 O HIS A 40 1.913 5.814 -8.953 1.00 0.00 O ATOM 673 CB HIS A 40 0.281 3.403 -7.896 1.00 0.00 C ATOM 674 CG HIS A 40 -0.089 4.492 -6.937 1.00 0.00 C ATOM 675 ND1 HIS A 40 -1.263 5.209 -7.029 1.00 0.00 N ATOM 676 CD2 HIS A 40 0.567 4.986 -5.860 1.00 0.00 C ATOM 677 CE1 HIS A 40 -1.312 6.097 -6.052 1.00 0.00 C ATOM 678 NE2 HIS A 40 -0.215 5.981 -5.328 1.00 0.00 N ATOM 0 H HIS A 40 2.841 4.600 -7.010 1.00 0.00 H new ATOM 0 HA HIS A 40 1.975 2.565 -8.916 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -0.391 3.442 -8.754 1.00 0.00 H new ATOM 0 HB3 HIS A 40 0.127 2.438 -7.414 1.00 0.00 H new ATOM 0 HD1 HIS A 40 -1.982 5.075 -7.740 1.00 0.00 H new ATOM 0 HD2 HIS A 40 1.527 4.658 -5.489 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -2.114 6.799 -5.876 1.00 0.00 H new ATOM 687 N HIS A 41 1.978 4.334 -10.651 1.00 0.00 N ATOM 688 CA HIS A 41 2.131 5.347 -11.695 1.00 0.00 C ATOM 689 C HIS A 41 3.207 6.369 -11.330 1.00 0.00 C ATOM 690 O HIS A 41 3.056 7.563 -11.589 1.00 0.00 O ATOM 691 CB HIS A 41 0.798 6.053 -11.965 1.00 0.00 C ATOM 692 CG HIS A 41 0.272 6.828 -10.797 1.00 0.00 C ATOM 693 ND1 HIS A 41 -0.732 6.360 -9.975 1.00 0.00 N ATOM 694 CD2 HIS A 41 0.611 8.048 -10.315 1.00 0.00 C ATOM 695 CE1 HIS A 41 -0.989 7.259 -9.041 1.00 0.00 C ATOM 696 NE2 HIS A 41 -0.187 8.291 -9.225 1.00 0.00 N ATOM 0 H HIS A 41 1.954 3.376 -10.999 1.00 0.00 H new ATOM 0 HA HIS A 41 2.448 4.835 -12.604 1.00 0.00 H new ATOM 0 HB2 HIS A 41 0.922 6.729 -12.811 1.00 0.00 H new ATOM 0 HB3 HIS A 41 0.057 5.309 -12.258 1.00 0.00 H new ATOM 0 HD2 HIS A 41 1.368 8.707 -10.714 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -1.729 7.165 -8.260 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -0.164 9.133 -8.650 1.00 0.00 H new ATOM 705 N GLY A 42 4.296 5.890 -10.737 1.00 0.00 N ATOM 706 CA GLY A 42 5.385 6.773 -10.356 1.00 0.00 C ATOM 707 C GLY A 42 5.195 7.406 -8.988 1.00 0.00 C ATOM 708 O GLY A 42 6.123 8.008 -8.448 1.00 0.00 O ATOM 0 H GLY A 42 4.444 4.906 -10.513 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.319 6.210 -10.362 1.00 0.00 H new ATOM 0 HA3 GLY A 42 5.483 7.561 -11.103 1.00 0.00 H new ATOM 712 N ARG A 43 4.000 7.270 -8.421 1.00 0.00 N ATOM 713 CA ARG A 43 3.715 7.837 -7.107 1.00 0.00 C ATOM 714 C ARG A 43 3.996 6.816 -6.009 1.00 0.00 C ATOM 715 O ARG A 43 3.454 5.713 -6.023 1.00 0.00 O ATOM 716 CB ARG A 43 2.258 8.302 -7.033 1.00 0.00 C ATOM 717 CG ARG A 43 2.098 9.712 -6.489 1.00 0.00 C ATOM 718 CD ARG A 43 2.592 9.815 -5.055 1.00 0.00 C ATOM 719 NE ARG A 43 2.754 11.203 -4.629 1.00 0.00 N ATOM 720 CZ ARG A 43 3.801 11.959 -4.950 1.00 0.00 C ATOM 721 NH1 ARG A 43 4.781 11.466 -5.698 1.00 0.00 N ATOM 722 NH2 ARG A 43 3.870 13.212 -4.521 1.00 0.00 N ATOM 0 H ARG A 43 3.217 6.775 -8.848 1.00 0.00 H new ATOM 0 HA ARG A 43 4.367 8.697 -6.956 1.00 0.00 H new ATOM 0 HB2 ARG A 43 1.819 8.254 -8.029 1.00 0.00 H new ATOM 0 HB3 ARG A 43 1.696 7.612 -6.403 1.00 0.00 H new ATOM 0 HG2 ARG A 43 2.652 10.410 -7.117 1.00 0.00 H new ATOM 0 HG3 ARG A 43 1.049 10.004 -6.535 1.00 0.00 H new ATOM 0 HD2 ARG A 43 1.888 9.312 -4.392 1.00 0.00 H new ATOM 0 HD3 ARG A 43 3.545 9.294 -4.962 1.00 0.00 H new ATOM 0 HE ARG A 43 2.022 11.617 -4.052 1.00 0.00 H new ATOM 0 HH11 ARG A 43 4.734 10.503 -6.030 1.00 0.00 H new ATOM 0 HH12 ARG A 43 5.581 12.051 -5.941 1.00 0.00 H new ATOM 0 HH21 ARG A 43 3.121 13.596 -3.945 1.00 0.00 H new ATOM 0 HH22 ARG A 43 4.672 13.792 -4.767 1.00 0.00 H new ATOM 736 N LEU A 44 4.851 7.187 -5.062 1.00 0.00 N ATOM 737 CA LEU A 44 5.201 6.291 -3.966 1.00 0.00 C ATOM 738 C LEU A 44 4.383 6.600 -2.714 1.00 0.00 C ATOM 739 O LEU A 44 4.291 7.750 -2.286 1.00 0.00 O ATOM 740 CB LEU A 44 6.702 6.382 -3.660 1.00 0.00 C ATOM 741 CG LEU A 44 7.116 7.514 -2.715 1.00 0.00 C ATOM 742 CD1 LEU A 44 8.587 7.391 -2.350 1.00 0.00 C ATOM 743 CD2 LEU A 44 6.833 8.868 -3.348 1.00 0.00 C ATOM 0 H LEU A 44 5.312 8.096 -5.031 1.00 0.00 H new ATOM 0 HA LEU A 44 4.966 5.273 -4.277 1.00 0.00 H new ATOM 0 HB2 LEU A 44 7.025 5.435 -3.227 1.00 0.00 H new ATOM 0 HB3 LEU A 44 7.240 6.503 -4.600 1.00 0.00 H new ATOM 0 HG LEU A 44 6.527 7.433 -1.801 1.00 0.00 H new ATOM 0 HD11 LEU A 44 8.864 8.203 -1.678 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.760 6.435 -1.855 1.00 0.00 H new ATOM 0 HD13 LEU A 44 9.192 7.446 -3.255 1.00 0.00 H new ATOM 0 HD21 LEU A 44 7.133 9.660 -2.662 1.00 0.00 H new ATOM 0 HD22 LEU A 44 7.395 8.960 -4.277 1.00 0.00 H new ATOM 0 HD23 LEU A 44 5.767 8.955 -3.559 1.00 0.00 H new ATOM 755 N GLY A 45 3.798 5.560 -2.132 1.00 0.00 N ATOM 756 CA GLY A 45 3.000 5.727 -0.933 1.00 0.00 C ATOM 757 C GLY A 45 3.160 4.564 0.022 1.00 0.00 C ATOM 758 O GLY A 45 3.041 3.405 -0.376 1.00 0.00 O ATOM 0 H GLY A 45 3.863 4.600 -2.471 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.289 6.650 -0.431 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.950 5.829 -1.208 1.00 0.00 H new ATOM 762 N ILE A 46 3.445 4.868 1.283 1.00 0.00 N ATOM 763 CA ILE A 46 3.636 3.832 2.288 1.00 0.00 C ATOM 764 C ILE A 46 2.562 3.898 3.370 1.00 0.00 C ATOM 765 O ILE A 46 2.075 4.974 3.717 1.00 0.00 O ATOM 766 CB ILE A 46 5.032 3.971 2.926 1.00 0.00 C ATOM 767 CG1 ILE A 46 6.096 3.936 1.828 1.00 0.00 C ATOM 768 CG2 ILE A 46 5.283 2.882 3.963 1.00 0.00 C ATOM 769 CD1 ILE A 46 7.512 3.918 2.352 1.00 0.00 C ATOM 0 H ILE A 46 3.548 5.821 1.632 1.00 0.00 H new ATOM 0 HA ILE A 46 3.555 2.865 1.793 1.00 0.00 H new ATOM 0 HB ILE A 46 5.084 4.927 3.448 1.00 0.00 H new ATOM 0 HG12 ILE A 46 5.937 3.053 1.208 1.00 0.00 H new ATOM 0 HG13 ILE A 46 5.968 4.805 1.183 1.00 0.00 H new ATOM 0 HG21 ILE A 46 6.277 3.011 4.392 1.00 0.00 H new ATOM 0 HG22 ILE A 46 4.535 2.952 4.752 1.00 0.00 H new ATOM 0 HG23 ILE A 46 5.218 1.904 3.487 1.00 0.00 H new ATOM 0 HD11 ILE A 46 8.210 3.893 1.515 1.00 0.00 H new ATOM 0 HD12 ILE A 46 7.691 4.813 2.947 1.00 0.00 H new ATOM 0 HD13 ILE A 46 7.659 3.034 2.973 1.00 0.00 H new ATOM 781 N PHE A 47 2.202 2.732 3.899 1.00 0.00 N ATOM 782 CA PHE A 47 1.191 2.637 4.944 1.00 0.00 C ATOM 783 C PHE A 47 1.311 1.306 5.684 1.00 0.00 C ATOM 784 O PHE A 47 1.865 0.343 5.154 1.00 0.00 O ATOM 785 CB PHE A 47 -0.211 2.780 4.347 1.00 0.00 C ATOM 786 CG PHE A 47 -0.403 2.013 3.069 1.00 0.00 C ATOM 787 CD1 PHE A 47 -0.299 0.631 3.053 1.00 0.00 C ATOM 788 CD2 PHE A 47 -0.687 2.674 1.885 1.00 0.00 C ATOM 789 CE1 PHE A 47 -0.476 -0.077 1.880 1.00 0.00 C ATOM 790 CE2 PHE A 47 -0.864 1.971 0.709 1.00 0.00 C ATOM 791 CZ PHE A 47 -0.758 0.594 0.706 1.00 0.00 C ATOM 0 H PHE A 47 2.599 1.835 3.618 1.00 0.00 H new ATOM 0 HA PHE A 47 1.355 3.448 5.653 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -0.944 2.440 5.078 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -0.412 3.835 4.161 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -0.077 0.102 3.968 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -0.771 3.751 1.881 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -0.394 -1.154 1.881 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -1.085 2.498 -0.207 1.00 0.00 H new ATOM 0 HZ PHE A 47 -0.895 0.043 -0.213 1.00 0.00 H new ATOM 801 N PRO A 48 0.792 1.231 6.921 1.00 0.00 N ATOM 802 CA PRO A 48 0.849 0.005 7.723 1.00 0.00 C ATOM 803 C PRO A 48 0.284 -1.199 6.975 1.00 0.00 C ATOM 804 O PRO A 48 -0.758 -1.107 6.327 1.00 0.00 O ATOM 805 CB PRO A 48 -0.013 0.333 8.944 1.00 0.00 C ATOM 806 CG PRO A 48 0.020 1.819 9.045 1.00 0.00 C ATOM 807 CD PRO A 48 0.113 2.328 7.634 1.00 0.00 C ATOM 0 HA PRO A 48 1.873 -0.270 7.975 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -1.032 -0.032 8.818 1.00 0.00 H new ATOM 0 HB3 PRO A 48 0.384 -0.134 9.845 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -0.876 2.197 9.538 1.00 0.00 H new ATOM 0 HG3 PRO A 48 0.873 2.151 9.637 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -0.872 2.531 7.214 1.00 0.00 H new ATOM 0 HD3 PRO A 48 0.681 3.256 7.578 1.00 0.00 H new ATOM 815 N ALA A 49 0.983 -2.326 7.067 1.00 0.00 N ATOM 816 CA ALA A 49 0.558 -3.551 6.397 1.00 0.00 C ATOM 817 C ALA A 49 -0.737 -4.104 6.991 1.00 0.00 C ATOM 818 O ALA A 49 -1.351 -5.007 6.422 1.00 0.00 O ATOM 819 CB ALA A 49 1.659 -4.598 6.471 1.00 0.00 C ATOM 0 H ALA A 49 1.848 -2.417 7.600 1.00 0.00 H new ATOM 0 HA ALA A 49 0.363 -3.305 5.353 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.331 -5.507 5.968 1.00 0.00 H new ATOM 0 HB2 ALA A 49 2.556 -4.217 5.983 1.00 0.00 H new ATOM 0 HB3 ALA A 49 1.880 -4.820 7.515 1.00 0.00 H new ATOM 825 N ASN A 50 -1.149 -3.566 8.137 1.00 0.00 N ATOM 826 CA ASN A 50 -2.369 -4.020 8.797 1.00 0.00 C ATOM 827 C ASN A 50 -3.598 -3.260 8.295 1.00 0.00 C ATOM 828 O ASN A 50 -4.662 -3.316 8.912 1.00 0.00 O ATOM 829 CB ASN A 50 -2.241 -3.856 10.312 1.00 0.00 C ATOM 830 CG ASN A 50 -3.239 -4.707 11.072 1.00 0.00 C ATOM 831 OD1 ASN A 50 -4.089 -4.189 11.797 1.00 0.00 O ATOM 832 ND2 ASN A 50 -3.141 -6.021 10.909 1.00 0.00 N ATOM 0 H ASN A 50 -0.657 -2.818 8.626 1.00 0.00 H new ATOM 0 HA ASN A 50 -2.503 -5.074 8.555 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -1.230 -4.124 10.620 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -2.387 -2.808 10.575 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -3.786 -6.645 11.395 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -2.421 -6.407 10.298 1.00 0.00 H new ATOM 839 N TYR A 51 -3.451 -2.551 7.178 1.00 0.00 N ATOM 840 CA TYR A 51 -4.558 -1.789 6.609 1.00 0.00 C ATOM 841 C TYR A 51 -4.758 -2.122 5.132 1.00 0.00 C ATOM 842 O TYR A 51 -5.356 -1.344 4.389 1.00 0.00 O ATOM 843 CB TYR A 51 -4.307 -0.288 6.775 1.00 0.00 C ATOM 844 CG TYR A 51 -4.315 0.175 8.215 1.00 0.00 C ATOM 845 CD1 TYR A 51 -5.231 -0.338 9.127 1.00 0.00 C ATOM 846 CD2 TYR A 51 -3.408 1.127 8.663 1.00 0.00 C ATOM 847 CE1 TYR A 51 -5.241 0.084 10.442 1.00 0.00 C ATOM 848 CE2 TYR A 51 -3.413 1.554 9.978 1.00 0.00 C ATOM 849 CZ TYR A 51 -4.330 1.030 10.863 1.00 0.00 C ATOM 850 OH TYR A 51 -4.338 1.453 12.172 1.00 0.00 O ATOM 0 H TYR A 51 -2.580 -2.489 6.651 1.00 0.00 H new ATOM 0 HA TYR A 51 -5.465 -2.064 7.146 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -3.345 -0.038 6.328 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -5.068 0.262 6.222 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -5.946 -1.079 8.802 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -2.687 1.540 7.973 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -5.959 -0.325 11.137 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -2.701 2.295 10.310 1.00 0.00 H new ATOM 0 HH TYR A 51 -3.633 2.120 12.304 1.00 0.00 H new ATOM 860 N VAL A 52 -4.259 -3.281 4.712 1.00 0.00 N ATOM 861 CA VAL A 52 -4.389 -3.709 3.324 1.00 0.00 C ATOM 862 C VAL A 52 -4.311 -5.229 3.207 1.00 0.00 C ATOM 863 O VAL A 52 -3.790 -5.904 4.095 1.00 0.00 O ATOM 864 CB VAL A 52 -3.301 -3.074 2.436 1.00 0.00 C ATOM 865 CG1 VAL A 52 -1.916 -3.527 2.874 1.00 0.00 C ATOM 866 CG2 VAL A 52 -3.542 -3.409 0.972 1.00 0.00 C ATOM 0 H VAL A 52 -3.762 -3.939 5.312 1.00 0.00 H new ATOM 0 HA VAL A 52 -5.367 -3.374 2.978 1.00 0.00 H new ATOM 0 HB VAL A 52 -3.354 -1.991 2.551 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.163 -3.067 2.234 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.745 -3.227 3.908 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.846 -4.612 2.794 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.764 -2.952 0.361 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.520 -4.490 0.838 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.515 -3.025 0.666 1.00 0.00 H new ATOM 876 N GLU A 53 -4.831 -5.762 2.105 1.00 0.00 N ATOM 877 CA GLU A 53 -4.817 -7.202 1.872 1.00 0.00 C ATOM 878 C GLU A 53 -3.968 -7.547 0.653 1.00 0.00 C ATOM 879 O GLU A 53 -4.237 -7.083 -0.455 1.00 0.00 O ATOM 880 CB GLU A 53 -6.243 -7.723 1.679 1.00 0.00 C ATOM 881 CG GLU A 53 -7.085 -6.865 0.749 1.00 0.00 C ATOM 882 CD GLU A 53 -8.516 -7.354 0.641 1.00 0.00 C ATOM 883 OE1 GLU A 53 -9.139 -7.603 1.695 1.00 0.00 O ATOM 884 OE2 GLU A 53 -9.013 -7.488 -0.496 1.00 0.00 O ATOM 0 H GLU A 53 -5.267 -5.218 1.360 1.00 0.00 H new ATOM 0 HA GLU A 53 -4.378 -7.682 2.746 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -6.199 -8.738 1.283 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -6.734 -7.781 2.650 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -7.083 -5.836 1.108 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -6.632 -6.857 -0.242 1.00 0.00 H new ATOM 891 N VAL A 54 -2.940 -8.363 0.865 1.00 0.00 N ATOM 892 CA VAL A 54 -2.051 -8.769 -0.216 1.00 0.00 C ATOM 893 C VAL A 54 -2.725 -9.785 -1.133 1.00 0.00 C ATOM 894 O VAL A 54 -3.130 -10.861 -0.693 1.00 0.00 O ATOM 895 CB VAL A 54 -0.740 -9.372 0.330 1.00 0.00 C ATOM 896 CG1 VAL A 54 -1.020 -10.631 1.137 1.00 0.00 C ATOM 897 CG2 VAL A 54 0.230 -9.662 -0.806 1.00 0.00 C ATOM 0 H VAL A 54 -2.703 -8.756 1.776 1.00 0.00 H new ATOM 0 HA VAL A 54 -1.818 -7.870 -0.787 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.278 -8.641 0.994 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.081 -11.039 1.512 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -1.671 -10.388 1.977 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -1.508 -11.370 0.501 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.148 -10.087 -0.401 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.223 -10.371 -1.499 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.460 -8.736 -1.333 1.00 0.00 H new ATOM 907 N LEU A 55 -2.843 -9.436 -2.410 1.00 0.00 N ATOM 908 CA LEU A 55 -3.468 -10.318 -3.389 1.00 0.00 C ATOM 909 C LEU A 55 -3.303 -9.768 -4.804 1.00 0.00 C ATOM 910 O LEU A 55 -4.222 -9.161 -5.354 1.00 0.00 O ATOM 911 CB LEU A 55 -4.953 -10.498 -3.069 1.00 0.00 C ATOM 912 CG LEU A 55 -5.754 -9.197 -2.961 1.00 0.00 C ATOM 913 CD1 LEU A 55 -6.690 -9.042 -4.150 1.00 0.00 C ATOM 914 CD2 LEU A 55 -6.537 -9.157 -1.656 1.00 0.00 C ATOM 0 H LEU A 55 -2.514 -8.549 -2.791 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.971 -11.287 -3.336 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.403 -11.121 -3.842 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -5.043 -11.042 -2.129 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.052 -8.363 -2.967 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.250 -8.112 -4.054 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.108 -9.022 -5.071 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -7.384 -9.882 -4.178 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -7.100 -8.225 -1.598 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -7.227 -10.000 -1.620 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.846 -9.217 -0.815 1.00 0.00 H new ATOM 926 N PRO A 56 -2.123 -9.975 -5.415 1.00 0.00 N ATOM 927 CA PRO A 56 -1.841 -9.498 -6.773 1.00 0.00 C ATOM 928 C PRO A 56 -2.932 -9.889 -7.765 1.00 0.00 C ATOM 929 O PRO A 56 -3.124 -11.069 -8.058 1.00 0.00 O ATOM 930 CB PRO A 56 -0.525 -10.193 -7.126 1.00 0.00 C ATOM 931 CG PRO A 56 0.137 -10.431 -5.814 1.00 0.00 C ATOM 932 CD PRO A 56 -0.972 -10.690 -4.831 1.00 0.00 C ATOM 0 HA PRO A 56 -1.792 -8.410 -6.820 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -0.701 -11.129 -7.657 1.00 0.00 H new ATOM 0 HB3 PRO A 56 0.091 -9.570 -7.774 1.00 0.00 H new ATOM 0 HG2 PRO A 56 0.817 -11.281 -5.868 1.00 0.00 H new ATOM 0 HG3 PRO A 56 0.731 -9.567 -5.514 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -1.173 -11.756 -4.725 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -0.726 -10.312 -3.839 1.00 0.00 H new ATOM 940 N LEU A 57 -3.644 -8.891 -8.278 1.00 0.00 N ATOM 941 CA LEU A 57 -4.716 -9.131 -9.238 1.00 0.00 C ATOM 942 C LEU A 57 -4.198 -9.026 -10.668 1.00 0.00 C ATOM 943 O LEU A 57 -3.250 -8.291 -10.944 1.00 0.00 O ATOM 944 CB LEU A 57 -5.857 -8.135 -9.021 1.00 0.00 C ATOM 945 CG LEU A 57 -6.335 -8.001 -7.572 1.00 0.00 C ATOM 946 CD1 LEU A 57 -6.026 -6.614 -7.031 1.00 0.00 C ATOM 947 CD2 LEU A 57 -7.825 -8.295 -7.471 1.00 0.00 C ATOM 0 H LEU A 57 -3.498 -7.909 -8.045 1.00 0.00 H new ATOM 0 HA LEU A 57 -5.092 -10.142 -9.080 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.535 -7.155 -9.373 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -6.703 -8.434 -9.640 1.00 0.00 H new ATOM 0 HG LEU A 57 -5.799 -8.731 -6.966 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -6.374 -6.540 -6.001 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.950 -6.442 -7.064 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -6.532 -5.865 -7.640 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -8.146 -8.195 -6.434 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -8.378 -7.590 -8.092 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -8.019 -9.311 -7.814 1.00 0.00 H new ATOM 959 N GLU A 58 -4.828 -9.765 -11.576 1.00 0.00 N ATOM 960 CA GLU A 58 -4.431 -9.754 -12.979 1.00 0.00 C ATOM 961 C GLU A 58 -5.652 -9.834 -13.890 1.00 0.00 C ATOM 962 O GLU A 58 -5.777 -9.068 -14.845 1.00 0.00 O ATOM 963 CB GLU A 58 -3.484 -10.919 -13.272 1.00 0.00 C ATOM 964 CG GLU A 58 -2.019 -10.584 -13.046 1.00 0.00 C ATOM 965 CD GLU A 58 -1.228 -11.762 -12.512 1.00 0.00 C ATOM 966 OE1 GLU A 58 -1.799 -12.561 -11.741 1.00 0.00 O ATOM 967 OE2 GLU A 58 -0.036 -11.885 -12.866 1.00 0.00 O ATOM 0 H GLU A 58 -5.615 -10.379 -11.365 1.00 0.00 H new ATOM 0 HA GLU A 58 -3.913 -8.816 -13.177 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -3.756 -11.765 -12.641 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -3.620 -11.236 -14.306 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -1.577 -10.250 -13.985 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -1.944 -9.753 -12.345 1.00 0.00 H new TER 974 GLU A 58