USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 469 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 26 GLN : amide:sc= -0.683 X(o=-5.3,f=-5.6) USER MOD Set 1.2: A 55 GLN : amide:sc= -4.62! X(o=-5.3!,f=-5.6) USER MOD Set 2.1: A 21 ASN :FLIP amide:sc= -2.35! C(o=-9.2!,f=-4.1!) USER MOD Set 2.2: A 52 ASN : amide:sc= -1.78 K(o=-4.1,f=-11!) USER MOD Set 3.1: A 40 GLN :FLIP amide:sc= -0.656 F(o=-1.3,f=-0.62) USER MOD Set 3.2: A 43 ASN : amide:sc= 0.0394 K(o=-0.62,f=-1.3!) USER MOD Single : A 1 VAL N :NH3+ 180:sc= -1.05 (180deg=-1.05) USER MOD Single : A 3 ASN : amide:sc= -1.32 K(o=-1.3,f=-7.5!) USER MOD Single : A 4 LYS NZ :NH3+ -171:sc= 0.445 (180deg=0.368) USER MOD Single : A 6 ASN :FLIP amide:sc=-0.00244 F(o=-1.1,f=-0.0024) USER MOD Single : A 7 LYS NZ :NH3+ -107:sc= -1.34 (180deg=-4.24!) USER MOD Single : A 17 MET CE :methyl 170:sc= -10.6! (180deg=-11.2!) USER MOD Single : A 23 ASN : amide:sc= 0.0935 K(o=0.093,f=-9.4!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= 0.273 K(o=0.27,f=-3.6!) USER MOD Single : A 33 SER OG : rot 66:sc= 0.698 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 140:sc= -0.965 USER MOD Single : A 49 LYS NZ :NH3+ -159:sc= -2.18! (180deg=-3.1!) USER MOD Single : A 50 LYS NZ :NH3+ -167:sc= -0.333 (180deg=-0.434) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -6.529 -14.678 16.298 1.00 0.00 N ATOM 2 CA VAL A 1 -6.454 -13.219 15.990 1.00 0.00 C ATOM 3 C VAL A 1 -5.129 -12.906 15.292 1.00 0.00 C ATOM 4 O VAL A 1 -5.018 -11.904 14.584 1.00 0.00 O ATOM 5 CB VAL A 1 -6.575 -12.401 17.290 1.00 0.00 C ATOM 6 CG1 VAL A 1 -8.002 -12.514 17.843 1.00 0.00 C ATOM 7 CG2 VAL A 1 -5.579 -12.920 18.341 1.00 0.00 C ATOM 0 H1 VAL A 1 -7.431 -14.887 16.772 1.00 0.00 H new ATOM 0 H2 VAL A 1 -6.468 -15.223 15.414 1.00 0.00 H new ATOM 0 H3 VAL A 1 -5.740 -14.942 16.922 1.00 0.00 H new ATOM 0 HA VAL A 1 -7.276 -12.949 15.328 1.00 0.00 H new ATOM 0 HB VAL A 1 -6.349 -11.358 17.069 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -8.083 -11.934 18.762 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -8.709 -12.129 17.108 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -8.229 -13.559 18.052 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -5.675 -12.333 19.254 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -5.792 -13.967 18.558 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -4.563 -12.828 17.956 1.00 0.00 H new ATOM 19 N ASP A 2 -4.132 -13.771 15.497 1.00 0.00 N ATOM 20 CA ASP A 2 -2.819 -13.580 14.886 1.00 0.00 C ATOM 21 C ASP A 2 -2.858 -13.936 13.402 1.00 0.00 C ATOM 22 O ASP A 2 -3.259 -15.041 13.028 1.00 0.00 O ATOM 23 CB ASP A 2 -1.774 -14.452 15.593 1.00 0.00 C ATOM 24 CG ASP A 2 -0.389 -14.196 14.995 1.00 0.00 C ATOM 25 OD1 ASP A 2 0.261 -13.260 15.429 1.00 0.00 O ATOM 26 OD2 ASP A 2 -0.002 -14.935 14.102 1.00 0.00 O ATOM 0 H ASP A 2 -4.210 -14.605 16.079 1.00 0.00 H new ATOM 0 HA ASP A 2 -2.545 -12.530 14.991 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -1.765 -14.230 16.660 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -2.036 -15.505 15.488 1.00 0.00 H new ATOM 31 N ASN A 3 -2.432 -12.989 12.570 1.00 0.00 N ATOM 32 CA ASN A 3 -2.403 -13.185 11.123 1.00 0.00 C ATOM 33 C ASN A 3 -1.092 -12.655 10.552 1.00 0.00 C ATOM 34 O ASN A 3 -0.400 -11.863 11.196 1.00 0.00 O ATOM 35 CB ASN A 3 -3.588 -12.459 10.469 1.00 0.00 C ATOM 36 CG ASN A 3 -4.120 -13.265 9.283 1.00 0.00 C ATOM 37 OD1 ASN A 3 -3.348 -13.863 8.533 1.00 0.00 O ATOM 38 ND2 ASN A 3 -5.405 -13.311 9.066 1.00 0.00 N ATOM 0 H ASN A 3 -2.101 -12.074 12.875 1.00 0.00 H new ATOM 0 HA ASN A 3 -2.479 -14.251 10.910 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -4.381 -12.312 11.202 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -3.276 -11.470 10.134 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -5.770 -13.842 8.275 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -6.045 -12.816 9.687 1.00 0.00 H new ATOM 45 N LYS A 4 -0.754 -13.098 9.341 1.00 0.00 N ATOM 46 CA LYS A 4 0.483 -12.663 8.690 1.00 0.00 C ATOM 47 C LYS A 4 0.276 -11.343 7.960 1.00 0.00 C ATOM 48 O LYS A 4 1.164 -10.863 7.249 1.00 0.00 O ATOM 49 CB LYS A 4 0.983 -13.733 7.707 1.00 0.00 C ATOM 50 CG LYS A 4 1.027 -15.114 8.392 1.00 0.00 C ATOM 51 CD LYS A 4 1.987 -15.092 9.601 1.00 0.00 C ATOM 52 CE LYS A 4 1.202 -15.226 10.921 1.00 0.00 C ATOM 53 NZ LYS A 4 1.477 -14.046 11.790 1.00 0.00 N ATOM 0 H LYS A 4 -1.314 -13.752 8.794 1.00 0.00 H new ATOM 0 HA LYS A 4 1.236 -12.518 9.465 1.00 0.00 H new ATOM 0 HB2 LYS A 4 0.327 -13.772 6.837 1.00 0.00 H new ATOM 0 HB3 LYS A 4 1.976 -13.468 7.345 1.00 0.00 H new ATOM 0 HG2 LYS A 4 0.026 -15.395 8.721 1.00 0.00 H new ATOM 0 HG3 LYS A 4 1.351 -15.870 7.677 1.00 0.00 H new ATOM 0 HD2 LYS A 4 2.707 -15.906 9.515 1.00 0.00 H new ATOM 0 HD3 LYS A 4 2.556 -14.162 9.603 1.00 0.00 H new ATOM 0 HE2 LYS A 4 0.134 -15.297 10.715 1.00 0.00 H new ATOM 0 HE3 LYS A 4 1.489 -16.143 11.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 1.072 -14.208 12.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 2.504 -13.908 11.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 1.046 -13.198 11.370 1.00 0.00 H new ATOM 67 N PHE A 5 -0.908 -10.775 8.139 1.00 0.00 N ATOM 68 CA PHE A 5 -1.269 -9.519 7.503 1.00 0.00 C ATOM 69 C PHE A 5 -0.268 -8.416 7.787 1.00 0.00 C ATOM 70 O PHE A 5 0.226 -7.776 6.873 1.00 0.00 O ATOM 71 CB PHE A 5 -2.589 -9.021 8.078 1.00 0.00 C ATOM 72 CG PHE A 5 -3.782 -9.662 7.422 1.00 0.00 C ATOM 73 CD1 PHE A 5 -3.782 -11.029 7.107 1.00 0.00 C ATOM 74 CD2 PHE A 5 -4.905 -8.874 7.144 1.00 0.00 C ATOM 75 CE1 PHE A 5 -4.916 -11.597 6.505 1.00 0.00 C ATOM 76 CE2 PHE A 5 -6.028 -9.440 6.546 1.00 0.00 C ATOM 77 CZ PHE A 5 -6.036 -10.797 6.226 1.00 0.00 C ATOM 0 H PHE A 5 -1.642 -11.171 8.727 1.00 0.00 H new ATOM 0 HA PHE A 5 -1.314 -9.722 6.433 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -2.615 -9.224 9.149 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -2.649 -7.939 7.957 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -2.918 -11.639 7.326 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -4.900 -7.823 7.394 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -4.927 -12.648 6.257 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -6.892 -8.829 6.330 1.00 0.00 H new ATOM 0 HZ PHE A 5 -6.907 -11.235 5.762 1.00 0.00 H new ATOM 87 N ASN A 6 -0.033 -8.163 9.071 1.00 0.00 N ATOM 88 CA ASN A 6 0.837 -7.070 9.476 1.00 0.00 C ATOM 89 C ASN A 6 2.200 -7.140 8.821 1.00 0.00 C ATOM 90 O ASN A 6 2.652 -6.147 8.287 1.00 0.00 O ATOM 91 CB ASN A 6 1.014 -7.101 10.985 1.00 0.00 C ATOM 92 CG ASN A 6 1.750 -5.849 11.458 1.00 0.00 C ATOM 93 OD1 ASN A 6 1.106 -4.718 11.546 1.00 0.00 O flip ATOM 94 ND2 ASN A 6 2.943 -5.904 11.752 1.00 0.00 N flip ATOM 0 H ASN A 6 -0.431 -8.698 9.843 1.00 0.00 H new ATOM 0 HA ASN A 6 0.362 -6.142 9.156 1.00 0.00 H new ATOM 0 HB2 ASN A 6 0.040 -7.164 11.471 1.00 0.00 H new ATOM 0 HB3 ASN A 6 1.573 -7.991 11.274 1.00 0.00 H new ATOM 0 HD21 ASN A 6 3.445 -6.789 11.683 1.00 0.00 H new ATOM 0 HD22 ASN A 6 3.430 -5.064 12.065 1.00 0.00 H new ATOM 101 N LYS A 7 2.837 -8.305 8.836 1.00 0.00 N ATOM 102 CA LYS A 7 4.147 -8.442 8.219 1.00 0.00 C ATOM 103 C LYS A 7 4.062 -8.095 6.740 1.00 0.00 C ATOM 104 O LYS A 7 4.894 -7.359 6.216 1.00 0.00 O ATOM 105 CB LYS A 7 4.651 -9.874 8.396 1.00 0.00 C ATOM 106 CG LYS A 7 6.173 -9.914 8.652 1.00 0.00 C ATOM 107 CD LYS A 7 6.957 -9.201 7.538 1.00 0.00 C ATOM 108 CE LYS A 7 7.416 -7.817 8.021 1.00 0.00 C ATOM 109 NZ LYS A 7 8.618 -7.390 7.249 1.00 0.00 N ATOM 0 H LYS A 7 2.472 -9.157 9.263 1.00 0.00 H new ATOM 0 HA LYS A 7 4.845 -7.757 8.700 1.00 0.00 H new ATOM 0 HB2 LYS A 7 4.129 -10.343 9.230 1.00 0.00 H new ATOM 0 HB3 LYS A 7 4.416 -10.456 7.505 1.00 0.00 H new ATOM 0 HG2 LYS A 7 6.393 -9.443 9.610 1.00 0.00 H new ATOM 0 HG3 LYS A 7 6.503 -10.950 8.723 1.00 0.00 H new ATOM 0 HD2 LYS A 7 7.821 -9.800 7.250 1.00 0.00 H new ATOM 0 HD3 LYS A 7 6.332 -9.097 6.651 1.00 0.00 H new ATOM 0 HE2 LYS A 7 6.613 -7.091 7.893 1.00 0.00 H new ATOM 0 HE3 LYS A 7 7.648 -7.851 9.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 9.460 -7.452 7.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 8.739 -8.011 6.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 8.494 -6.408 6.928 1.00 0.00 H new ATOM 123 N GLU A 8 3.024 -8.602 6.083 1.00 0.00 N ATOM 124 CA GLU A 8 2.818 -8.328 4.672 1.00 0.00 C ATOM 125 C GLU A 8 2.482 -6.853 4.485 1.00 0.00 C ATOM 126 O GLU A 8 2.880 -6.229 3.501 1.00 0.00 O ATOM 127 CB GLU A 8 1.685 -9.231 4.168 1.00 0.00 C ATOM 128 CG GLU A 8 1.518 -9.089 2.652 1.00 0.00 C ATOM 129 CD GLU A 8 1.103 -10.423 2.018 1.00 0.00 C ATOM 130 OE1 GLU A 8 0.272 -11.110 2.594 1.00 0.00 O ATOM 131 OE2 GLU A 8 1.611 -10.729 0.952 1.00 0.00 O ATOM 0 H GLU A 8 2.316 -9.202 6.506 1.00 0.00 H new ATOM 0 HA GLU A 8 3.720 -8.538 4.097 1.00 0.00 H new ATOM 0 HB2 GLU A 8 1.900 -10.269 4.420 1.00 0.00 H new ATOM 0 HB3 GLU A 8 0.753 -8.968 4.668 1.00 0.00 H new ATOM 0 HG2 GLU A 8 0.767 -8.330 2.435 1.00 0.00 H new ATOM 0 HG3 GLU A 8 2.454 -8.747 2.210 1.00 0.00 H new ATOM 138 N ARG A 9 1.757 -6.318 5.460 1.00 0.00 N ATOM 139 CA ARG A 9 1.349 -4.931 5.469 1.00 0.00 C ATOM 140 C ARG A 9 2.496 -3.995 5.822 1.00 0.00 C ATOM 141 O ARG A 9 2.524 -2.893 5.332 1.00 0.00 O ATOM 142 CB ARG A 9 0.179 -4.724 6.437 1.00 0.00 C ATOM 143 CG ARG A 9 -1.094 -5.329 5.829 1.00 0.00 C ATOM 144 CD ARG A 9 -2.289 -5.105 6.756 1.00 0.00 C ATOM 145 NE ARG A 9 -1.993 -5.611 8.094 1.00 0.00 N ATOM 146 CZ ARG A 9 -2.309 -4.920 9.181 1.00 0.00 C ATOM 147 NH1 ARG A 9 -3.528 -4.948 9.640 1.00 0.00 N ATOM 148 NH2 ARG A 9 -1.400 -4.213 9.788 1.00 0.00 N ATOM 0 H ARG A 9 1.436 -6.846 6.272 1.00 0.00 H new ATOM 0 HA ARG A 9 1.028 -4.684 4.457 1.00 0.00 H new ATOM 0 HB2 ARG A 9 0.397 -5.195 7.396 1.00 0.00 H new ATOM 0 HB3 ARG A 9 0.035 -3.661 6.629 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -1.290 -4.876 4.857 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -0.952 -6.397 5.661 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -2.526 -4.042 6.806 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -3.169 -5.609 6.355 1.00 0.00 H new ATOM 0 HE ARG A 9 -1.533 -6.516 8.194 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -4.240 -5.502 9.163 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -3.770 -4.416 10.476 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -0.446 -4.191 9.427 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -1.642 -3.681 10.624 1.00 0.00 H new ATOM 162 N VAL A 10 3.426 -4.427 6.684 1.00 0.00 N ATOM 163 CA VAL A 10 4.552 -3.564 7.082 1.00 0.00 C ATOM 164 C VAL A 10 5.391 -3.287 5.868 1.00 0.00 C ATOM 165 O VAL A 10 5.771 -2.156 5.564 1.00 0.00 O ATOM 166 CB VAL A 10 5.503 -4.226 8.097 1.00 0.00 C ATOM 167 CG1 VAL A 10 6.524 -3.176 8.579 1.00 0.00 C ATOM 168 CG2 VAL A 10 4.751 -4.813 9.295 1.00 0.00 C ATOM 0 H VAL A 10 3.425 -5.352 7.114 1.00 0.00 H new ATOM 0 HA VAL A 10 4.111 -2.674 7.531 1.00 0.00 H new ATOM 0 HB VAL A 10 6.011 -5.053 7.601 1.00 0.00 H new ATOM 0 HG11 VAL A 10 7.203 -3.633 9.299 1.00 0.00 H new ATOM 0 HG12 VAL A 10 7.094 -2.805 7.727 1.00 0.00 H new ATOM 0 HG13 VAL A 10 5.998 -2.347 9.052 1.00 0.00 H new ATOM 0 HG21 VAL A 10 5.463 -5.269 9.983 1.00 0.00 H new ATOM 0 HG22 VAL A 10 4.208 -4.019 9.808 1.00 0.00 H new ATOM 0 HG23 VAL A 10 4.047 -5.569 8.948 1.00 0.00 H new ATOM 178 N ILE A 11 5.685 -4.374 5.202 1.00 0.00 N ATOM 179 CA ILE A 11 6.484 -4.345 4.021 1.00 0.00 C ATOM 180 C ILE A 11 5.797 -3.492 2.975 1.00 0.00 C ATOM 181 O ILE A 11 6.408 -2.621 2.362 1.00 0.00 O ATOM 182 CB ILE A 11 6.624 -5.782 3.526 1.00 0.00 C ATOM 183 CG1 ILE A 11 7.338 -6.625 4.601 1.00 0.00 C ATOM 184 CG2 ILE A 11 7.413 -5.808 2.219 1.00 0.00 C ATOM 185 CD1 ILE A 11 7.191 -8.115 4.269 1.00 0.00 C ATOM 0 H ILE A 11 5.371 -5.306 5.472 1.00 0.00 H new ATOM 0 HA ILE A 11 7.468 -3.920 4.220 1.00 0.00 H new ATOM 0 HB ILE A 11 5.635 -6.202 3.342 1.00 0.00 H new ATOM 0 HG12 ILE A 11 8.393 -6.355 4.648 1.00 0.00 H new ATOM 0 HG13 ILE A 11 6.912 -6.417 5.583 1.00 0.00 H new ATOM 0 HG21 ILE A 11 7.509 -6.837 1.872 1.00 0.00 H new ATOM 0 HG22 ILE A 11 6.890 -5.218 1.466 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.405 -5.387 2.384 1.00 0.00 H new ATOM 0 HD11 ILE A 11 7.697 -8.709 5.030 1.00 0.00 H new ATOM 0 HD12 ILE A 11 6.134 -8.380 4.245 1.00 0.00 H new ATOM 0 HD13 ILE A 11 7.638 -8.317 3.295 1.00 0.00 H new ATOM 197 N ALA A 12 4.517 -3.773 2.794 1.00 0.00 N ATOM 198 CA ALA A 12 3.703 -3.075 1.820 1.00 0.00 C ATOM 199 C ALA A 12 3.403 -1.641 2.216 1.00 0.00 C ATOM 200 O ALA A 12 3.620 -0.743 1.425 1.00 0.00 O ATOM 201 CB ALA A 12 2.403 -3.828 1.706 1.00 0.00 C ATOM 0 H ALA A 12 4.016 -4.490 3.318 1.00 0.00 H new ATOM 0 HA ALA A 12 4.250 -3.035 0.878 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.758 -3.333 0.979 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.601 -4.849 1.379 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.907 -3.847 2.677 1.00 0.00 H new ATOM 207 N ILE A 13 2.942 -1.418 3.445 1.00 0.00 N ATOM 208 CA ILE A 13 2.637 -0.073 3.894 1.00 0.00 C ATOM 209 C ILE A 13 3.889 0.763 3.797 1.00 0.00 C ATOM 210 O ILE A 13 3.849 1.923 3.421 1.00 0.00 O ATOM 211 CB ILE A 13 2.117 -0.084 5.345 1.00 0.00 C ATOM 212 CG1 ILE A 13 1.530 1.300 5.674 1.00 0.00 C ATOM 213 CG2 ILE A 13 3.262 -0.433 6.317 1.00 0.00 C ATOM 214 CD1 ILE A 13 1.894 1.727 7.094 1.00 0.00 C ATOM 0 H ILE A 13 2.775 -2.148 4.138 1.00 0.00 H new ATOM 0 HA ILE A 13 1.855 0.350 3.263 1.00 0.00 H new ATOM 0 HB ILE A 13 1.340 -0.841 5.453 1.00 0.00 H new ATOM 0 HG12 ILE A 13 1.904 2.036 4.962 1.00 0.00 H new ATOM 0 HG13 ILE A 13 0.446 1.274 5.565 1.00 0.00 H new ATOM 0 HG21 ILE A 13 2.883 -0.438 7.339 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.659 -1.418 6.073 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.054 0.310 6.227 1.00 0.00 H new ATOM 0 HD11 ILE A 13 1.466 2.708 7.300 1.00 0.00 H new ATOM 0 HD12 ILE A 13 1.497 1.002 7.805 1.00 0.00 H new ATOM 0 HD13 ILE A 13 2.978 1.776 7.193 1.00 0.00 H new ATOM 226 N GLY A 14 5.006 0.130 4.107 1.00 0.00 N ATOM 227 CA GLY A 14 6.280 0.778 4.032 1.00 0.00 C ATOM 228 C GLY A 14 6.539 1.167 2.581 1.00 0.00 C ATOM 229 O GLY A 14 7.054 2.251 2.305 1.00 0.00 O ATOM 0 H GLY A 14 5.044 -0.842 4.415 1.00 0.00 H new ATOM 0 HA2 GLY A 14 6.294 1.662 4.670 1.00 0.00 H new ATOM 0 HA3 GLY A 14 7.065 0.113 4.392 1.00 0.00 H new ATOM 233 N GLU A 15 6.140 0.277 1.650 1.00 0.00 N ATOM 234 CA GLU A 15 6.304 0.551 0.230 1.00 0.00 C ATOM 235 C GLU A 15 5.339 1.644 -0.231 1.00 0.00 C ATOM 236 O GLU A 15 5.700 2.536 -0.998 1.00 0.00 O ATOM 237 CB GLU A 15 5.982 -0.708 -0.580 1.00 0.00 C ATOM 238 CG GLU A 15 6.969 -1.840 -0.257 1.00 0.00 C ATOM 239 CD GLU A 15 7.811 -2.183 -1.488 1.00 0.00 C ATOM 240 OE1 GLU A 15 8.535 -1.314 -1.952 1.00 0.00 O ATOM 241 OE2 GLU A 15 7.717 -3.306 -1.955 1.00 0.00 O ATOM 0 H GLU A 15 5.709 -0.622 1.863 1.00 0.00 H new ATOM 0 HA GLU A 15 7.334 0.870 0.073 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.965 -1.034 -0.362 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.022 -0.479 -1.645 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.620 -1.540 0.564 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.423 -2.723 0.075 1.00 0.00 H new ATOM 248 N ILE A 16 4.097 1.515 0.225 1.00 0.00 N ATOM 249 CA ILE A 16 3.013 2.423 -0.133 1.00 0.00 C ATOM 250 C ILE A 16 3.239 3.820 0.451 1.00 0.00 C ATOM 251 O ILE A 16 3.047 4.835 -0.218 1.00 0.00 O ATOM 252 CB ILE A 16 1.692 1.849 0.413 1.00 0.00 C ATOM 253 CG1 ILE A 16 1.615 0.326 0.089 1.00 0.00 C ATOM 254 CG2 ILE A 16 0.494 2.635 -0.128 1.00 0.00 C ATOM 255 CD1 ILE A 16 0.437 -0.106 -0.784 1.00 0.00 C ATOM 0 H ILE A 16 3.812 0.769 0.860 1.00 0.00 H new ATOM 0 HA ILE A 16 2.976 2.514 -1.219 1.00 0.00 H new ATOM 0 HB ILE A 16 1.661 1.957 1.497 1.00 0.00 H new ATOM 0 HG12 ILE A 16 2.539 0.032 -0.408 1.00 0.00 H new ATOM 0 HG13 ILE A 16 1.569 -0.225 1.028 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -0.428 2.212 0.270 1.00 0.00 H new ATOM 0 HG22 ILE A 16 0.576 3.678 0.176 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.480 2.574 -1.216 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.481 -1.183 -0.947 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -0.498 0.148 -0.285 1.00 0.00 H new ATOM 0 HD13 ILE A 16 0.487 0.408 -1.744 1.00 0.00 H new ATOM 267 N MET A 17 3.621 3.846 1.720 1.00 0.00 N ATOM 268 CA MET A 17 3.863 5.089 2.445 1.00 0.00 C ATOM 269 C MET A 17 5.096 5.828 1.907 1.00 0.00 C ATOM 270 O MET A 17 5.208 7.046 2.058 1.00 0.00 O ATOM 271 CB MET A 17 4.027 4.775 3.942 1.00 0.00 C ATOM 272 CG MET A 17 2.681 4.308 4.524 1.00 0.00 C ATOM 273 SD MET A 17 1.519 5.686 4.664 1.00 0.00 S ATOM 274 CE MET A 17 -0.003 4.691 4.627 1.00 0.00 C ATOM 0 H MET A 17 3.773 3.006 2.278 1.00 0.00 H new ATOM 0 HA MET A 17 3.008 5.749 2.300 1.00 0.00 H new ATOM 0 HB2 MET A 17 4.782 4.001 4.081 1.00 0.00 H new ATOM 0 HB3 MET A 17 4.376 5.660 4.473 1.00 0.00 H new ATOM 0 HG2 MET A 17 2.255 3.533 3.887 1.00 0.00 H new ATOM 0 HG3 MET A 17 2.841 3.862 5.506 1.00 0.00 H new ATOM 0 HE1 MET A 17 -0.856 5.321 4.879 1.00 0.00 H new ATOM 0 HE2 MET A 17 -0.141 4.275 3.629 1.00 0.00 H new ATOM 0 HE3 MET A 17 0.075 3.880 5.351 1.00 0.00 H new ATOM 284 N ARG A 18 6.010 5.084 1.274 1.00 0.00 N ATOM 285 CA ARG A 18 7.228 5.667 0.708 1.00 0.00 C ATOM 286 C ARG A 18 6.887 6.606 -0.444 1.00 0.00 C ATOM 287 O ARG A 18 7.566 7.609 -0.674 1.00 0.00 O ATOM 288 CB ARG A 18 8.135 4.537 0.201 1.00 0.00 C ATOM 289 CG ARG A 18 9.424 5.108 -0.402 1.00 0.00 C ATOM 290 CD ARG A 18 10.243 3.969 -1.012 1.00 0.00 C ATOM 291 NE ARG A 18 11.523 4.472 -1.507 1.00 0.00 N ATOM 292 CZ ARG A 18 11.619 5.074 -2.688 1.00 0.00 C ATOM 293 NH1 ARG A 18 11.268 6.321 -2.814 1.00 0.00 N ATOM 294 NH2 ARG A 18 12.065 4.414 -3.719 1.00 0.00 N ATOM 0 H ARG A 18 5.928 4.076 1.142 1.00 0.00 H new ATOM 0 HA ARG A 18 7.741 6.240 1.480 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.379 3.863 1.022 1.00 0.00 H new ATOM 0 HB3 ARG A 18 7.606 3.948 -0.548 1.00 0.00 H new ATOM 0 HG2 ARG A 18 9.185 5.849 -1.165 1.00 0.00 H new ATOM 0 HG3 ARG A 18 10.004 5.618 0.367 1.00 0.00 H new ATOM 0 HD2 ARG A 18 10.414 3.194 -0.265 1.00 0.00 H new ATOM 0 HD3 ARG A 18 9.686 3.508 -1.828 1.00 0.00 H new ATOM 0 HE ARG A 18 12.360 4.359 -0.934 1.00 0.00 H new ATOM 0 HH11 ARG A 18 10.919 6.837 -2.006 1.00 0.00 H new ATOM 0 HH12 ARG A 18 11.342 6.783 -3.721 1.00 0.00 H new ATOM 0 HH21 ARG A 18 12.340 3.437 -3.619 1.00 0.00 H new ATOM 0 HH22 ARG A 18 12.139 4.874 -4.626 1.00 0.00 H new ATOM 308 N LEU A 19 5.841 6.232 -1.171 1.00 0.00 N ATOM 309 CA LEU A 19 5.373 6.969 -2.337 1.00 0.00 C ATOM 310 C LEU A 19 5.225 8.472 -2.060 1.00 0.00 C ATOM 311 O LEU A 19 4.310 8.891 -1.348 1.00 0.00 O ATOM 312 CB LEU A 19 4.042 6.361 -2.774 1.00 0.00 C ATOM 313 CG LEU A 19 4.211 4.835 -2.892 1.00 0.00 C ATOM 314 CD1 LEU A 19 2.889 4.165 -3.248 1.00 0.00 C ATOM 315 CD2 LEU A 19 5.268 4.523 -3.953 1.00 0.00 C ATOM 0 H LEU A 19 5.289 5.400 -0.965 1.00 0.00 H new ATOM 0 HA LEU A 19 6.113 6.883 -3.132 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.262 6.600 -2.051 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.730 6.782 -3.730 1.00 0.00 H new ATOM 0 HG LEU A 19 4.535 4.441 -1.929 1.00 0.00 H new ATOM 0 HD11 LEU A 19 3.036 3.088 -3.325 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.154 4.376 -2.472 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.531 4.551 -4.202 1.00 0.00 H new ATOM 0 HD21 LEU A 19 5.390 3.443 -4.039 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.951 4.930 -4.913 1.00 0.00 H new ATOM 0 HD23 LEU A 19 6.218 4.973 -3.664 1.00 0.00 H new ATOM 327 N PRO A 20 6.121 9.283 -2.600 1.00 0.00 N ATOM 328 CA PRO A 20 6.107 10.763 -2.401 1.00 0.00 C ATOM 329 C PRO A 20 5.053 11.489 -3.243 1.00 0.00 C ATOM 330 O PRO A 20 4.823 12.683 -3.036 1.00 0.00 O ATOM 331 CB PRO A 20 7.510 11.227 -2.835 1.00 0.00 C ATOM 332 CG PRO A 20 8.258 10.010 -3.290 1.00 0.00 C ATOM 333 CD PRO A 20 7.249 8.882 -3.458 1.00 0.00 C ATOM 0 HA PRO A 20 5.858 10.995 -1.366 1.00 0.00 H new ATOM 0 HB2 PRO A 20 7.441 11.960 -3.639 1.00 0.00 H new ATOM 0 HB3 PRO A 20 8.029 11.710 -2.007 1.00 0.00 H new ATOM 0 HG2 PRO A 20 8.772 10.207 -4.231 1.00 0.00 H new ATOM 0 HG3 PRO A 20 9.021 9.735 -2.561 1.00 0.00 H new ATOM 0 HD2 PRO A 20 6.941 8.774 -4.498 1.00 0.00 H new ATOM 0 HD3 PRO A 20 7.666 7.924 -3.148 1.00 0.00 H new ATOM 341 N ASN A 21 4.439 10.794 -4.209 1.00 0.00 N ATOM 342 CA ASN A 21 3.449 11.451 -5.072 1.00 0.00 C ATOM 343 C ASN A 21 2.057 11.396 -4.472 1.00 0.00 C ATOM 344 O ASN A 21 1.442 12.433 -4.215 1.00 0.00 O ATOM 345 CB ASN A 21 3.453 10.810 -6.472 1.00 0.00 C ATOM 346 CG ASN A 21 4.585 11.409 -7.294 1.00 0.00 C ATOM 347 OD1 ASN A 21 5.552 10.649 -7.690 1.00 0.00 O flip ATOM 348 ND2 ASN A 21 4.591 12.610 -7.572 1.00 0.00 N flip ATOM 0 H ASN A 21 4.603 9.807 -4.410 1.00 0.00 H new ATOM 0 HA ASN A 21 3.730 12.501 -5.158 1.00 0.00 H new ATOM 0 HB2 ASN A 21 3.579 9.730 -6.390 1.00 0.00 H new ATOM 0 HB3 ASN A 21 2.497 10.983 -6.967 1.00 0.00 H new ATOM 0 HD21 ASN A 21 3.827 13.210 -7.259 1.00 0.00 H new ATOM 0 HD22 ASN A 21 5.359 13.004 -8.115 1.00 0.00 H new ATOM 355 N LEU A 22 1.573 10.183 -4.276 1.00 0.00 N ATOM 356 CA LEU A 22 0.236 9.941 -3.735 1.00 0.00 C ATOM 357 C LEU A 22 -0.119 10.834 -2.565 1.00 0.00 C ATOM 358 O LEU A 22 0.743 11.278 -1.804 1.00 0.00 O ATOM 359 CB LEU A 22 0.153 8.504 -3.254 1.00 0.00 C ATOM 360 CG LEU A 22 0.284 7.571 -4.442 1.00 0.00 C ATOM 361 CD1 LEU A 22 0.817 6.234 -3.960 1.00 0.00 C ATOM 362 CD2 LEU A 22 -1.084 7.383 -5.081 1.00 0.00 C ATOM 0 H LEU A 22 2.093 9.331 -4.486 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.465 10.156 -4.542 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.944 8.304 -2.531 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.796 8.333 -2.745 1.00 0.00 H new ATOM 0 HG LEU A 22 0.969 7.991 -5.178 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.915 5.555 -4.807 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.792 6.377 -3.495 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.127 5.808 -3.232 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.997 6.713 -5.936 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.770 6.953 -4.351 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.466 8.348 -5.414 1.00 0.00 H new ATOM 374 N ASN A 23 -1.422 11.015 -2.400 1.00 0.00 N ATOM 375 CA ASN A 23 -1.951 11.776 -1.288 1.00 0.00 C ATOM 376 C ASN A 23 -2.188 10.791 -0.167 1.00 0.00 C ATOM 377 O ASN A 23 -2.280 9.585 -0.414 1.00 0.00 O ATOM 378 CB ASN A 23 -3.254 12.480 -1.688 1.00 0.00 C ATOM 379 CG ASN A 23 -4.138 11.536 -2.498 1.00 0.00 C ATOM 380 OD1 ASN A 23 -4.774 10.650 -1.938 1.00 0.00 O ATOM 381 ND2 ASN A 23 -4.205 11.667 -3.794 1.00 0.00 N ATOM 0 H ASN A 23 -2.132 10.641 -3.029 1.00 0.00 H new ATOM 0 HA ASN A 23 -1.256 12.556 -0.977 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -3.785 12.811 -0.796 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -3.029 13.371 -2.274 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -4.786 11.032 -4.341 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -3.676 12.404 -4.260 1.00 0.00 H new ATOM 388 N SER A 24 -2.263 11.279 1.057 1.00 0.00 N ATOM 389 CA SER A 24 -2.457 10.390 2.188 1.00 0.00 C ATOM 390 C SER A 24 -3.636 9.459 1.971 1.00 0.00 C ATOM 391 O SER A 24 -3.596 8.323 2.388 1.00 0.00 O ATOM 392 CB SER A 24 -2.681 11.170 3.466 1.00 0.00 C ATOM 393 OG SER A 24 -3.784 12.053 3.305 1.00 0.00 O ATOM 0 H SER A 24 -2.194 12.269 1.292 1.00 0.00 H new ATOM 0 HA SER A 24 -1.546 9.798 2.278 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.870 10.485 4.293 1.00 0.00 H new ATOM 0 HB3 SER A 24 -1.784 11.736 3.719 1.00 0.00 H new ATOM 0 HG SER A 24 -3.926 12.554 4.135 1.00 0.00 H new ATOM 399 N LEU A 25 -4.681 9.943 1.321 1.00 0.00 N ATOM 400 CA LEU A 25 -5.855 9.118 1.089 1.00 0.00 C ATOM 401 C LEU A 25 -5.511 7.939 0.232 1.00 0.00 C ATOM 402 O LEU A 25 -5.856 6.829 0.577 1.00 0.00 O ATOM 403 CB LEU A 25 -6.933 9.916 0.386 1.00 0.00 C ATOM 404 CG LEU A 25 -7.246 11.211 1.144 1.00 0.00 C ATOM 405 CD1 LEU A 25 -6.236 12.315 0.793 1.00 0.00 C ATOM 406 CD2 LEU A 25 -8.631 11.670 0.725 1.00 0.00 C ATOM 0 H LEU A 25 -4.741 10.891 0.949 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.215 8.778 2.060 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -6.611 10.154 -0.628 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -7.838 9.314 0.300 1.00 0.00 H new ATOM 0 HG LEU A 25 -7.191 11.022 2.216 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.482 13.222 1.345 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.232 11.988 1.062 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -6.277 12.519 -0.277 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -8.883 12.592 1.249 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -8.645 11.848 -0.350 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -9.361 10.900 0.975 1.00 0.00 H new ATOM 418 N GLN A 26 -4.812 8.185 -0.868 1.00 0.00 N ATOM 419 CA GLN A 26 -4.405 7.107 -1.743 1.00 0.00 C ATOM 420 C GLN A 26 -3.459 6.208 -1.004 1.00 0.00 C ATOM 421 O GLN A 26 -3.580 4.993 -1.028 1.00 0.00 O ATOM 422 CB GLN A 26 -3.691 7.654 -2.954 1.00 0.00 C ATOM 423 CG GLN A 26 -4.709 8.210 -3.946 1.00 0.00 C ATOM 424 CD GLN A 26 -5.369 7.079 -4.744 1.00 0.00 C ATOM 425 OE1 GLN A 26 -5.295 5.908 -4.362 1.00 0.00 O ATOM 426 NE2 GLN A 26 -6.003 7.361 -5.845 1.00 0.00 N ATOM 0 H GLN A 26 -4.520 9.115 -1.169 1.00 0.00 H new ATOM 0 HA GLN A 26 -5.292 6.559 -2.061 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -2.996 8.438 -2.654 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -3.101 6.868 -3.426 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -5.472 8.777 -3.412 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -4.217 8.903 -4.628 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -6.066 8.328 -6.164 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -6.437 6.615 -6.389 1.00 0.00 H new ATOM 435 N VAL A 27 -2.541 6.852 -0.314 1.00 0.00 N ATOM 436 CA VAL A 27 -1.553 6.169 0.480 1.00 0.00 C ATOM 437 C VAL A 27 -2.274 5.282 1.481 1.00 0.00 C ATOM 438 O VAL A 27 -1.932 4.116 1.672 1.00 0.00 O ATOM 439 CB VAL A 27 -0.727 7.259 1.192 1.00 0.00 C ATOM 440 CG1 VAL A 27 0.106 6.692 2.333 1.00 0.00 C ATOM 441 CG2 VAL A 27 0.201 7.949 0.182 1.00 0.00 C ATOM 0 H VAL A 27 -2.463 7.869 -0.291 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.895 5.540 -0.119 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.430 7.978 1.614 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.671 7.496 2.805 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.552 6.230 3.069 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.796 5.944 1.943 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.783 8.719 0.689 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.876 7.212 -0.254 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.396 8.407 -0.607 1.00 0.00 H new ATOM 451 N VAL A 28 -3.300 5.859 2.079 1.00 0.00 N ATOM 452 CA VAL A 28 -4.138 5.157 3.037 1.00 0.00 C ATOM 453 C VAL A 28 -5.046 4.155 2.350 1.00 0.00 C ATOM 454 O VAL A 28 -5.346 3.089 2.884 1.00 0.00 O ATOM 455 CB VAL A 28 -4.907 6.129 3.908 1.00 0.00 C ATOM 456 CG1 VAL A 28 -5.701 5.330 4.943 1.00 0.00 C ATOM 457 CG2 VAL A 28 -3.881 7.005 4.629 1.00 0.00 C ATOM 0 H VAL A 28 -3.577 6.827 1.915 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.486 4.586 3.698 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.588 6.740 3.316 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.261 6.015 5.580 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -6.393 4.660 4.433 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -5.015 4.745 5.555 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.398 7.720 5.268 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.231 6.377 5.239 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.281 7.542 3.894 1.00 0.00 H new ATOM 467 N ALA A 29 -5.482 4.532 1.158 1.00 0.00 N ATOM 468 CA ALA A 29 -6.362 3.716 0.350 1.00 0.00 C ATOM 469 C ALA A 29 -5.734 2.373 0.191 1.00 0.00 C ATOM 470 O ALA A 29 -6.392 1.333 0.214 1.00 0.00 O ATOM 471 CB ALA A 29 -6.465 4.340 -1.028 1.00 0.00 C ATOM 0 H ALA A 29 -5.231 5.421 0.725 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.344 3.640 0.817 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -7.125 3.738 -1.652 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -6.868 5.349 -0.941 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.475 4.383 -1.483 1.00 0.00 H new ATOM 477 N PHE A 30 -4.432 2.428 0.049 1.00 0.00 N ATOM 478 CA PHE A 30 -3.655 1.272 -0.088 1.00 0.00 C ATOM 479 C PHE A 30 -3.578 0.555 1.214 1.00 0.00 C ATOM 480 O PHE A 30 -3.703 -0.660 1.226 1.00 0.00 O ATOM 481 CB PHE A 30 -2.298 1.683 -0.542 1.00 0.00 C ATOM 482 CG PHE A 30 -2.352 1.873 -2.011 1.00 0.00 C ATOM 483 CD1 PHE A 30 -2.619 0.789 -2.837 1.00 0.00 C ATOM 484 CD2 PHE A 30 -2.171 3.136 -2.542 1.00 0.00 C ATOM 485 CE1 PHE A 30 -2.714 0.976 -4.201 1.00 0.00 C ATOM 486 CE2 PHE A 30 -2.264 3.332 -3.900 1.00 0.00 C ATOM 487 CZ PHE A 30 -2.544 2.250 -4.745 1.00 0.00 C ATOM 0 H PHE A 30 -3.899 3.297 0.028 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.100 0.595 -0.817 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -1.993 2.605 -0.048 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.561 0.923 -0.282 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -2.752 -0.196 -2.414 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -1.956 3.970 -1.890 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -2.920 0.136 -4.848 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.121 4.319 -4.315 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.628 2.401 -5.811 1.00 0.00 H new ATOM 497 N ILE A 31 -3.421 1.305 2.324 1.00 0.00 N ATOM 498 CA ILE A 31 -3.374 0.640 3.623 1.00 0.00 C ATOM 499 C ILE A 31 -4.641 -0.179 3.743 1.00 0.00 C ATOM 500 O ILE A 31 -4.647 -1.303 4.252 1.00 0.00 O ATOM 501 CB ILE A 31 -3.399 1.614 4.810 1.00 0.00 C ATOM 502 CG1 ILE A 31 -2.225 2.585 4.773 1.00 0.00 C ATOM 503 CG2 ILE A 31 -3.333 0.815 6.123 1.00 0.00 C ATOM 504 CD1 ILE A 31 -2.426 3.622 5.889 1.00 0.00 C ATOM 0 H ILE A 31 -3.329 2.321 2.343 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.448 0.066 3.662 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.323 2.189 4.747 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.285 2.051 4.915 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.169 3.077 3.802 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -3.350 1.503 6.969 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -4.189 0.143 6.184 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.412 0.232 6.148 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -1.597 4.329 5.882 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.361 4.158 5.724 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -2.463 3.116 6.854 1.00 0.00 H new ATOM 516 N ASN A 32 -5.718 0.429 3.253 1.00 0.00 N ATOM 517 CA ASN A 32 -7.023 -0.189 3.280 1.00 0.00 C ATOM 518 C ASN A 32 -7.080 -1.416 2.386 1.00 0.00 C ATOM 519 O ASN A 32 -7.648 -2.433 2.769 1.00 0.00 O ATOM 520 CB ASN A 32 -8.060 0.847 2.839 1.00 0.00 C ATOM 521 CG ASN A 32 -8.509 1.692 4.027 1.00 0.00 C ATOM 522 OD1 ASN A 32 -9.705 1.901 4.223 1.00 0.00 O ATOM 523 ND2 ASN A 32 -7.617 2.199 4.832 1.00 0.00 N ATOM 0 H ASN A 32 -5.702 1.357 2.831 1.00 0.00 H new ATOM 0 HA ASN A 32 -7.237 -0.526 4.294 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -7.636 1.490 2.068 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -8.920 0.344 2.397 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -7.911 2.769 5.625 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -6.625 2.025 4.669 1.00 0.00 H new ATOM 530 N SER A 33 -6.493 -1.328 1.201 1.00 0.00 N ATOM 531 CA SER A 33 -6.499 -2.448 0.286 1.00 0.00 C ATOM 532 C SER A 33 -5.717 -3.629 0.862 1.00 0.00 C ATOM 533 O SER A 33 -6.090 -4.783 0.654 1.00 0.00 O ATOM 534 CB SER A 33 -5.910 -2.020 -1.046 1.00 0.00 C ATOM 535 OG SER A 33 -6.513 -0.802 -1.464 1.00 0.00 O ATOM 0 H SER A 33 -6.011 -0.497 0.857 1.00 0.00 H new ATOM 0 HA SER A 33 -7.529 -2.772 0.136 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.832 -1.891 -0.954 1.00 0.00 H new ATOM 0 HB3 SER A 33 -6.075 -2.795 -1.794 1.00 0.00 H new ATOM 0 HG SER A 33 -6.262 -0.084 -0.846 1.00 0.00 H new ATOM 541 N LEU A 34 -4.620 -3.334 1.573 1.00 0.00 N ATOM 542 CA LEU A 34 -3.785 -4.410 2.162 1.00 0.00 C ATOM 543 C LEU A 34 -4.616 -5.300 3.081 1.00 0.00 C ATOM 544 O LEU A 34 -4.521 -6.520 3.027 1.00 0.00 O ATOM 545 CB LEU A 34 -2.609 -3.890 3.021 1.00 0.00 C ATOM 546 CG LEU A 34 -1.977 -2.616 2.466 1.00 0.00 C ATOM 547 CD1 LEU A 34 -0.688 -2.300 3.230 1.00 0.00 C ATOM 548 CD2 LEU A 34 -1.640 -2.780 0.989 1.00 0.00 C ATOM 0 H LEU A 34 -4.289 -2.387 1.756 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.392 -4.951 1.301 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.963 -3.701 4.034 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.847 -4.666 3.090 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.694 -1.803 2.584 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.241 -1.390 2.830 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.917 -2.158 4.286 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.013 -3.127 3.119 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.191 -1.860 0.614 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.937 -3.604 0.865 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.551 -2.993 0.429 1.00 0.00 H new ATOM 560 N ARG A 35 -5.416 -4.677 3.940 1.00 0.00 N ATOM 561 CA ARG A 35 -6.250 -5.430 4.875 1.00 0.00 C ATOM 562 C ARG A 35 -7.383 -6.109 4.119 1.00 0.00 C ATOM 563 O ARG A 35 -7.786 -7.226 4.449 1.00 0.00 O ATOM 564 CB ARG A 35 -6.764 -4.498 5.985 1.00 0.00 C ATOM 565 CG ARG A 35 -8.120 -3.874 5.625 1.00 0.00 C ATOM 566 CD ARG A 35 -8.398 -2.683 6.544 1.00 0.00 C ATOM 567 NE ARG A 35 -9.755 -2.191 6.327 1.00 0.00 N ATOM 568 CZ ARG A 35 -9.995 -1.140 5.554 1.00 0.00 C ATOM 569 NH1 ARG A 35 -9.941 -1.257 4.259 1.00 0.00 N ATOM 570 NH2 ARG A 35 -10.288 0.008 6.094 1.00 0.00 N ATOM 0 H ARG A 35 -5.506 -3.663 4.010 1.00 0.00 H new ATOM 0 HA ARG A 35 -5.661 -6.212 5.355 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -6.858 -5.058 6.915 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -6.035 -3.707 6.161 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -8.118 -3.550 4.584 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -8.912 -4.617 5.726 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -8.272 -2.979 7.585 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -7.679 -1.888 6.350 1.00 0.00 H new ATOM 0 HE ARG A 35 -10.536 -2.666 6.780 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -9.714 -2.158 3.837 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -10.126 -0.448 3.666 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -10.333 0.098 7.109 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -10.473 0.818 5.502 1.00 0.00 H new ATOM 584 N ASP A 36 -7.855 -5.431 3.077 1.00 0.00 N ATOM 585 CA ASP A 36 -8.905 -5.960 2.229 1.00 0.00 C ATOM 586 C ASP A 36 -8.344 -7.136 1.437 1.00 0.00 C ATOM 587 O ASP A 36 -9.088 -7.988 0.950 1.00 0.00 O ATOM 588 CB ASP A 36 -9.401 -4.856 1.277 1.00 0.00 C ATOM 589 CG ASP A 36 -10.065 -3.704 2.053 1.00 0.00 C ATOM 590 OD1 ASP A 36 -10.460 -3.907 3.193 1.00 0.00 O ATOM 591 OD2 ASP A 36 -10.161 -2.625 1.491 1.00 0.00 O ATOM 0 H ASP A 36 -7.520 -4.507 2.803 1.00 0.00 H new ATOM 0 HA ASP A 36 -9.747 -6.299 2.833 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -8.563 -4.470 0.696 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -10.113 -5.278 0.568 1.00 0.00 H new ATOM 596 N ASP A 37 -7.008 -7.160 1.326 1.00 0.00 N ATOM 597 CA ASP A 37 -6.308 -8.217 0.601 1.00 0.00 C ATOM 598 C ASP A 37 -4.790 -8.112 0.829 1.00 0.00 C ATOM 599 O ASP A 37 -4.097 -7.381 0.113 1.00 0.00 O ATOM 600 CB ASP A 37 -6.610 -8.104 -0.898 1.00 0.00 C ATOM 601 CG ASP A 37 -6.303 -9.428 -1.610 1.00 0.00 C ATOM 602 OD1 ASP A 37 -5.257 -10.004 -1.340 1.00 0.00 O ATOM 603 OD2 ASP A 37 -7.115 -9.845 -2.417 1.00 0.00 O ATOM 0 H ASP A 37 -6.394 -6.455 1.732 1.00 0.00 H new ATOM 0 HA ASP A 37 -6.654 -9.182 0.972 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -7.657 -7.840 -1.045 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -6.015 -7.303 -1.335 1.00 0.00 H new ATOM 608 N PRO A 38 -4.259 -8.819 1.806 1.00 0.00 N ATOM 609 CA PRO A 38 -2.800 -8.791 2.114 1.00 0.00 C ATOM 610 C PRO A 38 -1.986 -9.500 1.040 1.00 0.00 C ATOM 611 O PRO A 38 -0.875 -9.087 0.720 1.00 0.00 O ATOM 612 CB PRO A 38 -2.661 -9.505 3.463 1.00 0.00 C ATOM 613 CG PRO A 38 -4.035 -9.907 3.890 1.00 0.00 C ATOM 614 CD PRO A 38 -4.984 -9.718 2.709 1.00 0.00 C ATOM 0 HA PRO A 38 -2.421 -7.770 2.148 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -2.015 -10.378 3.372 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -2.205 -8.847 4.202 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -4.041 -10.946 4.218 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -4.360 -9.304 4.737 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -5.213 -10.668 2.226 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -5.933 -9.285 3.026 1.00 0.00 H new ATOM 622 N SER A 39 -2.567 -10.553 0.467 1.00 0.00 N ATOM 623 CA SER A 39 -1.901 -11.303 -0.590 1.00 0.00 C ATOM 624 C SER A 39 -1.623 -10.368 -1.750 1.00 0.00 C ATOM 625 O SER A 39 -0.631 -10.517 -2.468 1.00 0.00 O ATOM 626 CB SER A 39 -2.784 -12.465 -1.053 1.00 0.00 C ATOM 627 OG SER A 39 -3.147 -13.259 0.070 1.00 0.00 O ATOM 0 H SER A 39 -3.492 -10.902 0.717 1.00 0.00 H new ATOM 0 HA SER A 39 -0.964 -11.714 -0.213 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.678 -12.083 -1.546 1.00 0.00 H new ATOM 0 HB3 SER A 39 -2.251 -13.072 -1.785 1.00 0.00 H new ATOM 0 HG SER A 39 -3.714 -14.002 -0.224 1.00 0.00 H new ATOM 633 N GLN A 40 -2.514 -9.391 -1.905 1.00 0.00 N ATOM 634 CA GLN A 40 -2.388 -8.401 -2.954 1.00 0.00 C ATOM 635 C GLN A 40 -1.724 -7.134 -2.430 1.00 0.00 C ATOM 636 O GLN A 40 -1.708 -6.124 -3.121 1.00 0.00 O ATOM 637 CB GLN A 40 -3.769 -8.068 -3.536 1.00 0.00 C ATOM 638 CG GLN A 40 -4.341 -9.297 -4.254 1.00 0.00 C ATOM 639 CD GLN A 40 -3.684 -9.465 -5.622 1.00 0.00 C ATOM 640 OE1 GLN A 40 -4.287 -9.010 -6.685 1.00 0.00 O flip ATOM 641 NE2 GLN A 40 -2.591 -10.020 -5.724 1.00 0.00 N flip ATOM 0 H GLN A 40 -3.333 -9.270 -1.310 1.00 0.00 H new ATOM 0 HA GLN A 40 -1.759 -8.818 -3.741 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -4.443 -7.754 -2.739 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -3.689 -7.233 -4.232 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -4.174 -10.189 -3.651 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -5.419 -9.189 -4.372 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -2.120 -10.376 -4.892 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -2.156 -10.125 -6.640 1.00 0.00 H new ATOM 650 N SER A 41 -1.149 -7.190 -1.220 1.00 0.00 N ATOM 651 CA SER A 41 -0.474 -6.018 -0.660 1.00 0.00 C ATOM 652 C SER A 41 0.573 -5.566 -1.662 1.00 0.00 C ATOM 653 O SER A 41 0.746 -4.381 -1.907 1.00 0.00 O ATOM 654 CB SER A 41 0.192 -6.357 0.690 1.00 0.00 C ATOM 655 OG SER A 41 1.303 -7.215 0.462 1.00 0.00 O ATOM 0 H SER A 41 -1.139 -8.017 -0.624 1.00 0.00 H new ATOM 0 HA SER A 41 -1.199 -5.225 -0.476 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.519 -5.444 1.187 1.00 0.00 H new ATOM 0 HB3 SER A 41 -0.526 -6.841 1.352 1.00 0.00 H new ATOM 0 HG SER A 41 2.044 -6.954 1.048 1.00 0.00 H new ATOM 661 N ALA A 42 1.226 -6.556 -2.261 1.00 0.00 N ATOM 662 CA ALA A 42 2.233 -6.334 -3.274 1.00 0.00 C ATOM 663 C ALA A 42 1.634 -5.710 -4.531 1.00 0.00 C ATOM 664 O ALA A 42 2.248 -4.850 -5.146 1.00 0.00 O ATOM 665 CB ALA A 42 2.870 -7.669 -3.642 1.00 0.00 C ATOM 0 H ALA A 42 1.065 -7.541 -2.050 1.00 0.00 H new ATOM 0 HA ALA A 42 2.977 -5.647 -2.870 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.631 -7.511 -4.406 1.00 0.00 H new ATOM 0 HB2 ALA A 42 3.330 -8.109 -2.757 1.00 0.00 H new ATOM 0 HB3 ALA A 42 2.105 -8.344 -4.026 1.00 0.00 H new ATOM 671 N ASN A 43 0.428 -6.151 -4.891 1.00 0.00 N ATOM 672 CA ASN A 43 -0.271 -5.644 -6.063 1.00 0.00 C ATOM 673 C ASN A 43 -0.732 -4.235 -5.809 1.00 0.00 C ATOM 674 O ASN A 43 -0.784 -3.397 -6.697 1.00 0.00 O ATOM 675 CB ASN A 43 -1.499 -6.499 -6.287 1.00 0.00 C ATOM 676 CG ASN A 43 -2.136 -6.217 -7.644 1.00 0.00 C ATOM 677 OD1 ASN A 43 -1.462 -5.802 -8.589 1.00 0.00 O ATOM 678 ND2 ASN A 43 -3.411 -6.421 -7.791 1.00 0.00 N ATOM 0 H ASN A 43 -0.086 -6.867 -4.378 1.00 0.00 H new ATOM 0 HA ASN A 43 0.395 -5.668 -6.925 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -1.227 -7.553 -6.224 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -2.225 -6.309 -5.496 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -3.856 -6.238 -8.690 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -3.966 -6.764 -7.007 1.00 0.00 H new ATOM 685 N LEU A 44 -1.103 -4.027 -4.571 1.00 0.00 N ATOM 686 CA LEU A 44 -1.601 -2.756 -4.111 1.00 0.00 C ATOM 687 C LEU A 44 -0.491 -1.765 -4.038 1.00 0.00 C ATOM 688 O LEU A 44 -0.589 -0.658 -4.530 1.00 0.00 O ATOM 689 CB LEU A 44 -2.239 -2.988 -2.764 1.00 0.00 C ATOM 690 CG LEU A 44 -3.481 -3.825 -3.015 1.00 0.00 C ATOM 691 CD1 LEU A 44 -3.997 -4.454 -1.721 1.00 0.00 C ATOM 692 CD2 LEU A 44 -4.515 -2.917 -3.649 1.00 0.00 C ATOM 0 H LEU A 44 -1.067 -4.744 -3.846 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.340 -2.346 -4.800 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.552 -3.504 -2.093 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.498 -2.042 -2.289 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.254 -4.656 -3.682 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -4.887 -5.047 -1.934 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.226 -5.097 -1.296 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.247 -3.668 -1.009 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -5.425 -3.484 -3.845 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.740 -2.093 -2.972 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.125 -2.520 -4.586 1.00 0.00 H new ATOM 704 N LEU A 45 0.589 -2.209 -3.473 1.00 0.00 N ATOM 705 CA LEU A 45 1.769 -1.397 -3.392 1.00 0.00 C ATOM 706 C LEU A 45 2.290 -1.221 -4.810 1.00 0.00 C ATOM 707 O LEU A 45 2.791 -0.163 -5.180 1.00 0.00 O ATOM 708 CB LEU A 45 2.730 -2.057 -2.407 1.00 0.00 C ATOM 709 CG LEU A 45 3.877 -2.733 -3.105 1.00 0.00 C ATOM 710 CD1 LEU A 45 4.852 -1.645 -3.531 1.00 0.00 C ATOM 711 CD2 LEU A 45 4.514 -3.713 -2.117 1.00 0.00 C ATOM 0 H LEU A 45 0.680 -3.136 -3.057 1.00 0.00 H new ATOM 0 HA LEU A 45 1.599 -0.394 -3.002 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.117 -1.305 -1.719 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.189 -2.789 -1.808 1.00 0.00 H new ATOM 0 HG LEU A 45 3.564 -3.291 -3.988 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.701 -2.098 -4.043 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.350 -0.950 -4.205 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.204 -1.107 -2.651 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.351 -4.220 -2.596 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.872 -3.168 -1.243 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.773 -4.450 -1.807 1.00 0.00 H new ATOM 723 N ALA A 46 2.083 -2.261 -5.612 1.00 0.00 N ATOM 724 CA ALA A 46 2.448 -2.216 -7.024 1.00 0.00 C ATOM 725 C ALA A 46 1.568 -1.180 -7.700 1.00 0.00 C ATOM 726 O ALA A 46 2.039 -0.340 -8.460 1.00 0.00 O ATOM 727 CB ALA A 46 2.199 -3.568 -7.687 1.00 0.00 C ATOM 0 H ALA A 46 1.666 -3.142 -5.310 1.00 0.00 H new ATOM 0 HA ALA A 46 3.505 -1.967 -7.118 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.477 -3.514 -8.739 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.799 -4.332 -7.192 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.143 -3.825 -7.604 1.00 0.00 H new ATOM 733 N GLU A 47 0.280 -1.235 -7.354 1.00 0.00 N ATOM 734 CA GLU A 47 -0.703 -0.306 -7.850 1.00 0.00 C ATOM 735 C GLU A 47 -0.319 1.074 -7.380 1.00 0.00 C ATOM 736 O GLU A 47 -0.365 2.035 -8.118 1.00 0.00 O ATOM 737 CB GLU A 47 -2.045 -0.691 -7.239 1.00 0.00 C ATOM 738 CG GLU A 47 -2.804 -1.659 -8.146 1.00 0.00 C ATOM 739 CD GLU A 47 -3.883 -2.386 -7.346 1.00 0.00 C ATOM 740 OE1 GLU A 47 -4.920 -1.788 -7.104 1.00 0.00 O ATOM 741 OE2 GLU A 47 -3.656 -3.530 -6.981 1.00 0.00 O ATOM 0 H GLU A 47 -0.099 -1.935 -6.717 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.761 -0.324 -8.938 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.886 -1.151 -6.264 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.644 0.205 -7.075 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -3.258 -1.115 -8.974 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -2.113 -2.381 -8.580 1.00 0.00 H new ATOM 748 N ALA A 48 0.082 1.124 -6.128 1.00 0.00 N ATOM 749 CA ALA A 48 0.506 2.350 -5.490 1.00 0.00 C ATOM 750 C ALA A 48 1.678 2.946 -6.239 1.00 0.00 C ATOM 751 O ALA A 48 1.694 4.136 -6.527 1.00 0.00 O ATOM 752 CB ALA A 48 0.902 2.059 -4.055 1.00 0.00 C ATOM 0 H ALA A 48 0.123 0.307 -5.519 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.316 3.066 -5.501 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.222 2.982 -3.572 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.048 1.646 -3.519 1.00 0.00 H new ATOM 0 HB3 ALA A 48 1.721 1.340 -4.042 1.00 0.00 H new ATOM 758 N LYS A 49 2.638 2.099 -6.590 1.00 0.00 N ATOM 759 CA LYS A 49 3.784 2.556 -7.360 1.00 0.00 C ATOM 760 C LYS A 49 3.292 3.029 -8.720 1.00 0.00 C ATOM 761 O LYS A 49 3.783 4.020 -9.260 1.00 0.00 O ATOM 762 CB LYS A 49 4.822 1.436 -7.508 1.00 0.00 C ATOM 763 CG LYS A 49 5.536 1.233 -6.165 1.00 0.00 C ATOM 764 CD LYS A 49 6.596 0.131 -6.289 1.00 0.00 C ATOM 765 CE LYS A 49 7.284 -0.066 -4.933 1.00 0.00 C ATOM 766 NZ LYS A 49 7.751 -1.476 -4.805 1.00 0.00 N ATOM 0 H LYS A 49 2.646 1.106 -6.357 1.00 0.00 H new ATOM 0 HA LYS A 49 4.273 3.381 -6.842 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.336 0.511 -7.819 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.544 1.693 -8.283 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.005 2.165 -5.850 1.00 0.00 H new ATOM 0 HG3 LYS A 49 4.811 0.965 -5.396 1.00 0.00 H new ATOM 0 HD2 LYS A 49 6.132 -0.801 -6.613 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.331 0.401 -7.047 1.00 0.00 H new ATOM 0 HE2 LYS A 49 8.129 0.617 -4.841 1.00 0.00 H new ATOM 0 HE3 LYS A 49 6.592 0.172 -4.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 7.885 -1.707 -3.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 7.041 -2.115 -5.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 8.653 -1.590 -5.310 1.00 0.00 H new ATOM 780 N LYS A 50 2.272 2.333 -9.238 1.00 0.00 N ATOM 781 CA LYS A 50 1.665 2.706 -10.506 1.00 0.00 C ATOM 782 C LYS A 50 0.894 4.009 -10.329 1.00 0.00 C ATOM 783 O LYS A 50 0.870 4.851 -11.213 1.00 0.00 O ATOM 784 CB LYS A 50 0.725 1.587 -10.984 1.00 0.00 C ATOM 785 CG LYS A 50 1.545 0.381 -11.451 1.00 0.00 C ATOM 786 CD LYS A 50 0.598 -0.757 -11.855 1.00 0.00 C ATOM 787 CE LYS A 50 1.357 -2.090 -11.863 1.00 0.00 C ATOM 788 NZ LYS A 50 0.886 -2.932 -10.725 1.00 0.00 N ATOM 0 H LYS A 50 1.857 1.513 -8.795 1.00 0.00 H new ATOM 0 HA LYS A 50 2.442 2.850 -11.257 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.056 1.292 -10.175 1.00 0.00 H new ATOM 0 HB3 LYS A 50 0.099 1.950 -11.799 1.00 0.00 H new ATOM 0 HG2 LYS A 50 2.175 0.661 -12.295 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.210 0.049 -10.654 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -0.239 -0.809 -11.159 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.180 -0.561 -12.842 1.00 0.00 H new ATOM 0 HE2 LYS A 50 1.193 -2.609 -12.807 1.00 0.00 H new ATOM 0 HE3 LYS A 50 2.429 -1.912 -11.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.538 -3.731 -10.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 0.858 -2.359 -9.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -0.067 -3.294 -10.932 1.00 0.00 H new ATOM 802 N LEU A 51 0.281 4.144 -9.153 1.00 0.00 N ATOM 803 CA LEU A 51 -0.505 5.316 -8.781 1.00 0.00 C ATOM 804 C LEU A 51 0.392 6.519 -8.581 1.00 0.00 C ATOM 805 O LEU A 51 0.095 7.626 -9.022 1.00 0.00 O ATOM 806 CB LEU A 51 -1.186 5.033 -7.444 1.00 0.00 C ATOM 807 CG LEU A 51 -2.640 4.586 -7.592 1.00 0.00 C ATOM 808 CD1 LEU A 51 -3.494 5.765 -8.082 1.00 0.00 C ATOM 809 CD2 LEU A 51 -2.732 3.369 -8.536 1.00 0.00 C ATOM 0 H LEU A 51 0.318 3.432 -8.424 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.226 5.520 -9.573 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.627 4.261 -6.915 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.150 5.931 -6.828 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.030 4.271 -6.624 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.531 5.445 -8.187 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -3.437 6.580 -7.360 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.121 6.108 -9.047 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.773 3.061 -8.632 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.341 3.639 -9.517 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.147 2.546 -8.126 1.00 0.00 H new ATOM 821 N ASN A 52 1.488 6.261 -7.885 1.00 0.00 N ATOM 822 CA ASN A 52 2.467 7.272 -7.567 1.00 0.00 C ATOM 823 C ASN A 52 2.992 7.860 -8.855 1.00 0.00 C ATOM 824 O ASN A 52 3.058 9.078 -9.031 1.00 0.00 O ATOM 825 CB ASN A 52 3.587 6.590 -6.767 1.00 0.00 C ATOM 826 CG ASN A 52 4.743 7.541 -6.474 1.00 0.00 C ATOM 827 OD1 ASN A 52 4.800 8.142 -5.403 1.00 0.00 O ATOM 828 ND2 ASN A 52 5.681 7.700 -7.365 1.00 0.00 N ATOM 0 H ASN A 52 1.719 5.335 -7.525 1.00 0.00 H new ATOM 0 HA ASN A 52 2.040 8.081 -6.975 1.00 0.00 H new ATOM 0 HB2 ASN A 52 3.183 6.211 -5.828 1.00 0.00 H new ATOM 0 HB3 ASN A 52 3.958 5.730 -7.324 1.00 0.00 H new ATOM 0 HD21 ASN A 52 6.465 8.324 -7.174 1.00 0.00 H new ATOM 0 HD22 ASN A 52 5.631 7.200 -8.253 1.00 0.00 H new ATOM 835 N ASP A 53 3.335 6.959 -9.755 1.00 0.00 N ATOM 836 CA ASP A 53 3.833 7.319 -11.053 1.00 0.00 C ATOM 837 C ASP A 53 2.728 7.893 -11.949 1.00 0.00 C ATOM 838 O ASP A 53 2.973 8.797 -12.750 1.00 0.00 O ATOM 839 CB ASP A 53 4.438 6.074 -11.715 1.00 0.00 C ATOM 840 CG ASP A 53 5.635 5.538 -10.909 1.00 0.00 C ATOM 841 OD1 ASP A 53 6.181 6.274 -10.096 1.00 0.00 O ATOM 842 OD2 ASP A 53 5.986 4.388 -11.118 1.00 0.00 O ATOM 0 H ASP A 53 3.273 5.953 -9.598 1.00 0.00 H new ATOM 0 HA ASP A 53 4.590 8.093 -10.927 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.677 5.298 -11.799 1.00 0.00 H new ATOM 0 HB3 ASP A 53 4.759 6.318 -12.728 1.00 0.00 H new ATOM 847 N ALA A 54 1.528 7.312 -11.841 1.00 0.00 N ATOM 848 CA ALA A 54 0.392 7.710 -12.686 1.00 0.00 C ATOM 849 C ALA A 54 -0.227 9.044 -12.321 1.00 0.00 C ATOM 850 O ALA A 54 -0.622 9.811 -13.202 1.00 0.00 O ATOM 851 CB ALA A 54 -0.708 6.679 -12.535 1.00 0.00 C ATOM 0 H ALA A 54 1.317 6.566 -11.179 1.00 0.00 H new ATOM 0 HA ALA A 54 0.792 7.788 -13.697 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.558 6.960 -13.156 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.337 5.703 -12.848 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -1.021 6.631 -11.492 1.00 0.00 H new ATOM 857 N GLN A 55 -0.352 9.303 -11.029 1.00 0.00 N ATOM 858 CA GLN A 55 -0.975 10.528 -10.580 1.00 0.00 C ATOM 859 C GLN A 55 0.006 11.656 -10.576 1.00 0.00 C ATOM 860 O GLN A 55 -0.284 12.753 -11.058 1.00 0.00 O ATOM 861 CB GLN A 55 -1.476 10.373 -9.152 1.00 0.00 C ATOM 862 CG GLN A 55 -2.679 9.437 -9.082 1.00 0.00 C ATOM 863 CD GLN A 55 -3.209 9.423 -7.651 1.00 0.00 C ATOM 864 OE1 GLN A 55 -4.207 8.767 -7.364 1.00 0.00 O ATOM 865 NE2 GLN A 55 -2.607 10.135 -6.732 1.00 0.00 N ATOM 0 H GLN A 55 -0.032 8.685 -10.283 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.797 10.739 -11.264 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -0.674 9.985 -8.524 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.749 11.350 -8.753 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.457 9.770 -9.769 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.393 8.431 -9.388 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.778 10.680 -6.970 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.967 10.145 -5.778 1.00 0.00 H new ATOM 874 N ALA A 56 1.147 11.376 -9.959 1.00 0.00 N ATOM 875 CA ALA A 56 2.186 12.381 -9.791 1.00 0.00 C ATOM 876 C ALA A 56 1.519 13.704 -9.365 1.00 0.00 C ATOM 877 O ALA A 56 1.545 14.691 -10.104 1.00 0.00 O ATOM 878 CB ALA A 56 2.977 12.543 -11.089 1.00 0.00 C ATOM 0 H ALA A 56 1.375 10.462 -9.567 1.00 0.00 H new ATOM 0 HA ALA A 56 2.892 12.074 -9.019 1.00 0.00 H new ATOM 0 HB1 ALA A 56 3.752 13.297 -10.951 1.00 0.00 H new ATOM 0 HB2 ALA A 56 3.440 11.592 -11.354 1.00 0.00 H new ATOM 0 HB3 ALA A 56 2.305 12.855 -11.888 1.00 0.00 H new ATOM 884 N PRO A 57 0.873 13.711 -8.203 1.00 0.00 N ATOM 885 CA PRO A 57 0.127 14.893 -7.684 1.00 0.00 C ATOM 886 C PRO A 57 1.061 16.010 -7.199 1.00 0.00 C ATOM 887 O PRO A 57 0.961 16.485 -6.065 1.00 0.00 O ATOM 888 CB PRO A 57 -0.757 14.332 -6.548 1.00 0.00 C ATOM 889 CG PRO A 57 -0.507 12.862 -6.503 1.00 0.00 C ATOM 890 CD PRO A 57 0.801 12.608 -7.247 1.00 0.00 C ATOM 0 HA PRO A 57 -0.468 15.368 -8.464 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.506 14.798 -5.595 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -1.810 14.541 -6.737 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -0.438 12.514 -5.472 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -1.328 12.317 -6.969 1.00 0.00 H new ATOM 0 HD2 PRO A 57 1.654 12.609 -6.569 1.00 0.00 H new ATOM 0 HD3 PRO A 57 0.795 11.641 -7.750 1.00 0.00 H new ATOM 898 N LYS A 58 1.971 16.420 -8.082 1.00 0.00 N ATOM 899 CA LYS A 58 2.934 17.474 -7.773 1.00 0.00 C ATOM 900 C LYS A 58 2.222 18.798 -7.480 1.00 0.00 C ATOM 901 O LYS A 58 1.293 19.124 -8.203 1.00 0.00 O ATOM 902 CB LYS A 58 3.883 17.650 -8.962 1.00 0.00 C ATOM 903 CG LYS A 58 4.685 16.356 -9.183 1.00 0.00 C ATOM 904 CD LYS A 58 5.430 16.422 -10.525 1.00 0.00 C ATOM 905 CE LYS A 58 6.433 17.579 -10.511 1.00 0.00 C ATOM 906 NZ LYS A 58 7.338 17.467 -11.690 1.00 0.00 N ATOM 907 OXT LYS A 58 2.616 19.465 -6.539 1.00 0.00 O ATOM 0 H LYS A 58 2.061 16.035 -9.022 1.00 0.00 H new ATOM 0 HA LYS A 58 3.496 17.187 -6.885 1.00 0.00 H new ATOM 0 HB2 LYS A 58 3.315 17.895 -9.860 1.00 0.00 H new ATOM 0 HB3 LYS A 58 4.562 18.483 -8.777 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.397 16.216 -8.369 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.015 15.497 -9.172 1.00 0.00 H new ATOM 0 HD2 LYS A 58 5.950 15.482 -10.708 1.00 0.00 H new ATOM 0 HD3 LYS A 58 4.718 16.557 -11.339 1.00 0.00 H new ATOM 0 HE2 LYS A 58 5.905 18.532 -10.534 1.00 0.00 H new ATOM 0 HE3 LYS A 58 7.015 17.559 -9.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 8.019 18.253 -11.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 7.851 16.563 -11.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 6.776 17.507 -12.564 1.00 0.00 H new TER 921 LYS A 58