USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=10 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 23 ASN : amide:sc= -1.2 K(o=-12,f=-18!) USER MOD Set 1.2: A 26 GLN : amide:sc= -3.84! C(o=-12!,f=-13!) USER MOD Set 1.3: A 55 GLN : amide:sc= -7.05! C(o=-12!,f=-13!) USER MOD Set 2.1: A 21 ASN :FLIP amide:sc= -1.41 F(o=-6.2!,f=-2.3) USER MOD Set 2.2: A 52 ASN : amide:sc= -0.865 K(o=-2.3,f=-9.4!) USER MOD Single : A 1 VAL N :NH3+ 161:sc= -0.287 (180deg=-0.757) USER MOD Single : A 3 ASN : amide:sc= -0.184 K(o=-0.18,f=-1.7!) USER MOD Single : A 4 LYS NZ :NH3+ -166:sc= -0.121 (180deg=-0.474) USER MOD Single : A 6 ASN : amide:sc= -1.47 X(o=-1.5,f=-1) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl 173:sc= -10.2! (180deg=-10.8!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= 0.307 K(o=0.31,f=-5.7!) USER MOD Single : A 33 SER OG : rot 71:sc= 1.01 USER MOD Single : A 39 SER OG : rot -41:sc= 1.21 USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 41 SER OG : rot 90:sc= -1.51 USER MOD Single : A 43 ASN : amide:sc= -0.0141 K(o=-0.014,f=-1.1) USER MOD Single : A 49 LYS NZ :NH3+ -119:sc= -3.15! (180deg=-3.66!) USER MOD Single : A 50 LYS NZ :NH3+ -99:sc= 1.29 (180deg=-0.55) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -4.865 -16.194 17.123 1.00 0.00 N ATOM 2 CA VAL A 1 -5.121 -16.395 15.667 1.00 0.00 C ATOM 3 C VAL A 1 -3.895 -15.948 14.871 1.00 0.00 C ATOM 4 O VAL A 1 -3.298 -14.910 15.164 1.00 0.00 O ATOM 5 CB VAL A 1 -6.361 -15.588 15.232 1.00 0.00 C ATOM 6 CG1 VAL A 1 -7.634 -16.324 15.666 1.00 0.00 C ATOM 7 CG2 VAL A 1 -6.341 -14.188 15.873 1.00 0.00 C ATOM 0 H1 VAL A 1 -5.769 -16.183 17.636 1.00 0.00 H new ATOM 0 H2 VAL A 1 -4.272 -16.970 17.482 1.00 0.00 H new ATOM 0 H3 VAL A 1 -4.374 -15.288 17.267 1.00 0.00 H new ATOM 0 HA VAL A 1 -5.309 -17.451 15.475 1.00 0.00 H new ATOM 0 HB VAL A 1 -6.346 -15.484 14.147 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -8.509 -15.751 15.357 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -7.662 -17.309 15.200 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -7.638 -16.436 16.750 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -7.222 -13.630 15.557 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -6.343 -14.285 16.959 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -5.443 -13.656 15.558 1.00 0.00 H new ATOM 19 N ASP A 2 -3.529 -16.742 13.863 1.00 0.00 N ATOM 20 CA ASP A 2 -2.376 -16.426 13.023 1.00 0.00 C ATOM 21 C ASP A 2 -2.758 -15.393 11.965 1.00 0.00 C ATOM 22 O ASP A 2 -3.561 -15.671 11.071 1.00 0.00 O ATOM 23 CB ASP A 2 -1.857 -17.700 12.342 1.00 0.00 C ATOM 24 CG ASP A 2 -0.615 -17.383 11.507 1.00 0.00 C ATOM 25 OD1 ASP A 2 0.472 -17.391 12.063 1.00 0.00 O ATOM 26 OD2 ASP A 2 -0.770 -17.127 10.325 1.00 0.00 O ATOM 0 H ASP A 2 -4.013 -17.604 13.611 1.00 0.00 H new ATOM 0 HA ASP A 2 -1.589 -16.011 13.653 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -1.617 -18.451 13.094 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -2.634 -18.123 11.706 1.00 0.00 H new ATOM 31 N ASN A 3 -2.169 -14.202 12.079 1.00 0.00 N ATOM 32 CA ASN A 3 -2.435 -13.117 11.136 1.00 0.00 C ATOM 33 C ASN A 3 -1.121 -12.597 10.563 1.00 0.00 C ATOM 34 O ASN A 3 -0.393 -11.853 11.225 1.00 0.00 O ATOM 35 CB ASN A 3 -3.184 -11.982 11.845 1.00 0.00 C ATOM 36 CG ASN A 3 -4.445 -12.521 12.518 1.00 0.00 C ATOM 37 OD1 ASN A 3 -4.665 -12.285 13.705 1.00 0.00 O ATOM 38 ND2 ASN A 3 -5.291 -13.237 11.828 1.00 0.00 N ATOM 0 H ASN A 3 -1.504 -13.965 12.816 1.00 0.00 H new ATOM 0 HA ASN A 3 -3.053 -13.494 10.321 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -2.536 -11.518 12.589 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -3.450 -11.207 11.126 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -6.134 -13.600 12.273 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -5.109 -13.433 10.844 1.00 0.00 H new ATOM 45 N LYS A 4 -0.820 -13.001 9.329 1.00 0.00 N ATOM 46 CA LYS A 4 0.416 -12.579 8.667 1.00 0.00 C ATOM 47 C LYS A 4 0.211 -11.258 7.940 1.00 0.00 C ATOM 48 O LYS A 4 1.093 -10.790 7.213 1.00 0.00 O ATOM 49 CB LYS A 4 0.880 -13.646 7.670 1.00 0.00 C ATOM 50 CG LYS A 4 0.980 -15.005 8.377 1.00 0.00 C ATOM 51 CD LYS A 4 1.596 -16.045 7.431 1.00 0.00 C ATOM 52 CE LYS A 4 1.490 -17.445 8.050 1.00 0.00 C ATOM 53 NZ LYS A 4 2.037 -17.428 9.438 1.00 0.00 N ATOM 0 H LYS A 4 -1.411 -13.616 8.770 1.00 0.00 H new ATOM 0 HA LYS A 4 1.181 -12.447 9.432 1.00 0.00 H new ATOM 0 HB2 LYS A 4 0.179 -13.709 6.837 1.00 0.00 H new ATOM 0 HB3 LYS A 4 1.848 -13.370 7.252 1.00 0.00 H new ATOM 0 HG2 LYS A 4 1.590 -14.913 9.276 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -0.010 -15.332 8.696 1.00 0.00 H new ATOM 0 HD2 LYS A 4 1.083 -16.024 6.470 1.00 0.00 H new ATOM 0 HD3 LYS A 4 2.641 -15.801 7.240 1.00 0.00 H new ATOM 0 HE2 LYS A 4 0.449 -17.768 8.064 1.00 0.00 H new ATOM 0 HE3 LYS A 4 2.039 -18.164 7.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 2.184 -18.404 9.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 2.944 -16.920 9.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 1.365 -16.948 10.070 1.00 0.00 H new ATOM 67 N PHE A 5 -0.967 -10.678 8.131 1.00 0.00 N ATOM 68 CA PHE A 5 -1.320 -9.424 7.484 1.00 0.00 C ATOM 69 C PHE A 5 -0.298 -8.339 7.745 1.00 0.00 C ATOM 70 O PHE A 5 0.226 -7.739 6.817 1.00 0.00 O ATOM 71 CB PHE A 5 -2.627 -8.900 8.070 1.00 0.00 C ATOM 72 CG PHE A 5 -3.833 -9.547 7.441 1.00 0.00 C ATOM 73 CD1 PHE A 5 -3.887 -10.937 7.254 1.00 0.00 C ATOM 74 CD2 PHE A 5 -4.913 -8.741 7.059 1.00 0.00 C ATOM 75 CE1 PHE A 5 -5.028 -11.512 6.676 1.00 0.00 C ATOM 76 CE2 PHE A 5 -6.046 -9.315 6.487 1.00 0.00 C ATOM 77 CZ PHE A 5 -6.107 -10.695 6.293 1.00 0.00 C ATOM 0 H PHE A 5 -1.697 -11.060 8.733 1.00 0.00 H new ATOM 0 HA PHE A 5 -1.385 -9.635 6.417 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -2.639 -9.080 9.145 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -2.680 -7.821 7.927 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -3.056 -11.559 7.553 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -4.867 -7.672 7.208 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -5.078 -12.580 6.525 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -6.878 -8.691 6.194 1.00 0.00 H new ATOM 0 HZ PHE A 5 -6.986 -11.138 5.847 1.00 0.00 H new ATOM 87 N ASN A 6 -0.062 -8.068 9.023 1.00 0.00 N ATOM 88 CA ASN A 6 0.845 -7.004 9.408 1.00 0.00 C ATOM 89 C ASN A 6 2.212 -7.155 8.778 1.00 0.00 C ATOM 90 O ASN A 6 2.726 -6.199 8.226 1.00 0.00 O ATOM 91 CB ASN A 6 0.993 -6.960 10.924 1.00 0.00 C ATOM 92 CG ASN A 6 1.300 -8.351 11.476 1.00 0.00 C ATOM 93 OD1 ASN A 6 2.466 -8.708 11.652 1.00 0.00 O ATOM 94 ND2 ASN A 6 0.320 -9.164 11.755 1.00 0.00 N ATOM 0 H ASN A 6 -0.486 -8.570 9.804 1.00 0.00 H new ATOM 0 HA ASN A 6 0.410 -6.072 9.046 1.00 0.00 H new ATOM 0 HB2 ASN A 6 1.792 -6.270 11.197 1.00 0.00 H new ATOM 0 HB3 ASN A 6 0.076 -6.579 11.373 1.00 0.00 H new ATOM 0 HD21 ASN A 6 0.518 -10.096 12.119 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -0.645 -8.868 11.609 1.00 0.00 H new ATOM 101 N LYS A 7 2.788 -8.349 8.843 1.00 0.00 N ATOM 102 CA LYS A 7 4.102 -8.571 8.266 1.00 0.00 C ATOM 103 C LYS A 7 4.100 -8.228 6.784 1.00 0.00 C ATOM 104 O LYS A 7 5.032 -7.600 6.288 1.00 0.00 O ATOM 105 CB LYS A 7 4.525 -10.024 8.490 1.00 0.00 C ATOM 106 CG LYS A 7 5.939 -10.274 7.932 1.00 0.00 C ATOM 107 CD LYS A 7 6.992 -9.564 8.803 1.00 0.00 C ATOM 108 CE LYS A 7 7.449 -8.266 8.125 1.00 0.00 C ATOM 109 NZ LYS A 7 8.680 -7.761 8.797 1.00 0.00 N ATOM 0 H LYS A 7 2.370 -9.168 9.285 1.00 0.00 H new ATOM 0 HA LYS A 7 4.822 -7.917 8.758 1.00 0.00 H new ATOM 0 HB2 LYS A 7 4.504 -10.254 9.555 1.00 0.00 H new ATOM 0 HB3 LYS A 7 3.814 -10.693 8.005 1.00 0.00 H new ATOM 0 HG2 LYS A 7 6.142 -11.345 7.905 1.00 0.00 H new ATOM 0 HG3 LYS A 7 6.002 -9.911 6.906 1.00 0.00 H new ATOM 0 HD2 LYS A 7 6.574 -9.343 9.785 1.00 0.00 H new ATOM 0 HD3 LYS A 7 7.847 -10.221 8.962 1.00 0.00 H new ATOM 0 HE2 LYS A 7 7.646 -8.445 7.068 1.00 0.00 H new ATOM 0 HE3 LYS A 7 6.659 -7.517 8.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 8.990 -6.881 8.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 8.477 -7.575 9.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 9.433 -8.474 8.723 1.00 0.00 H new ATOM 123 N GLU A 8 3.033 -8.613 6.094 1.00 0.00 N ATOM 124 CA GLU A 8 2.904 -8.320 4.675 1.00 0.00 C ATOM 125 C GLU A 8 2.602 -6.836 4.477 1.00 0.00 C ATOM 126 O GLU A 8 3.089 -6.206 3.536 1.00 0.00 O ATOM 127 CB GLU A 8 1.781 -9.191 4.104 1.00 0.00 C ATOM 128 CG GLU A 8 1.721 -9.047 2.581 1.00 0.00 C ATOM 129 CD GLU A 8 3.022 -9.523 1.919 1.00 0.00 C ATOM 130 OE1 GLU A 8 3.591 -10.501 2.383 1.00 0.00 O ATOM 131 OE2 GLU A 8 3.422 -8.909 0.943 1.00 0.00 O ATOM 0 H GLU A 8 2.248 -9.127 6.494 1.00 0.00 H new ATOM 0 HA GLU A 8 3.834 -8.543 4.153 1.00 0.00 H new ATOM 0 HB2 GLU A 8 1.949 -10.234 4.371 1.00 0.00 H new ATOM 0 HB3 GLU A 8 0.826 -8.899 4.542 1.00 0.00 H new ATOM 0 HG2 GLU A 8 0.882 -9.624 2.193 1.00 0.00 H new ATOM 0 HG3 GLU A 8 1.539 -8.004 2.320 1.00 0.00 H new ATOM 138 N ARG A 9 1.798 -6.296 5.388 1.00 0.00 N ATOM 139 CA ARG A 9 1.406 -4.907 5.368 1.00 0.00 C ATOM 140 C ARG A 9 2.560 -3.988 5.728 1.00 0.00 C ATOM 141 O ARG A 9 2.615 -2.893 5.229 1.00 0.00 O ATOM 142 CB ARG A 9 0.219 -4.660 6.306 1.00 0.00 C ATOM 143 CG ARG A 9 -1.050 -5.254 5.680 1.00 0.00 C ATOM 144 CD ARG A 9 -2.286 -4.838 6.480 1.00 0.00 C ATOM 145 NE ARG A 9 -2.527 -3.403 6.324 1.00 0.00 N ATOM 146 CZ ARG A 9 -2.867 -2.641 7.355 1.00 0.00 C ATOM 147 NH1 ARG A 9 -4.115 -2.538 7.708 1.00 0.00 N ATOM 148 NH2 ARG A 9 -1.949 -1.992 8.013 1.00 0.00 N ATOM 0 H ARG A 9 1.401 -6.823 6.165 1.00 0.00 H new ATOM 0 HA ARG A 9 1.102 -4.675 4.347 1.00 0.00 H new ATOM 0 HB2 ARG A 9 0.407 -5.116 7.278 1.00 0.00 H new ATOM 0 HB3 ARG A 9 0.090 -3.591 6.475 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -1.146 -4.916 4.648 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -0.975 -6.341 5.654 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -3.156 -5.400 6.139 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -2.145 -5.078 7.534 1.00 0.00 H new ATOM 0 HE ARG A 9 -2.431 -2.979 5.401 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -4.835 -3.044 7.192 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -4.374 -1.951 8.501 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -0.971 -2.070 7.735 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -2.208 -1.405 8.806 1.00 0.00 H new ATOM 162 N VAL A 10 3.465 -4.429 6.605 1.00 0.00 N ATOM 163 CA VAL A 10 4.601 -3.585 7.015 1.00 0.00 C ATOM 164 C VAL A 10 5.413 -3.264 5.793 1.00 0.00 C ATOM 165 O VAL A 10 5.811 -2.127 5.535 1.00 0.00 O ATOM 166 CB VAL A 10 5.568 -4.294 7.985 1.00 0.00 C ATOM 167 CG1 VAL A 10 6.639 -3.289 8.452 1.00 0.00 C ATOM 168 CG2 VAL A 10 4.839 -4.870 9.201 1.00 0.00 C ATOM 0 H VAL A 10 3.439 -5.350 7.042 1.00 0.00 H new ATOM 0 HA VAL A 10 4.177 -2.711 7.509 1.00 0.00 H new ATOM 0 HB VAL A 10 6.030 -5.126 7.454 1.00 0.00 H new ATOM 0 HG11 VAL A 10 7.327 -3.783 9.138 1.00 0.00 H new ATOM 0 HG12 VAL A 10 7.192 -2.919 7.589 1.00 0.00 H new ATOM 0 HG13 VAL A 10 6.157 -2.454 8.960 1.00 0.00 H new ATOM 0 HG21 VAL A 10 5.558 -5.360 9.858 1.00 0.00 H new ATOM 0 HG22 VAL A 10 4.343 -4.065 9.743 1.00 0.00 H new ATOM 0 HG23 VAL A 10 4.096 -5.596 8.870 1.00 0.00 H new ATOM 178 N ILE A 11 5.660 -4.323 5.064 1.00 0.00 N ATOM 179 CA ILE A 11 6.429 -4.258 3.864 1.00 0.00 C ATOM 180 C ILE A 11 5.728 -3.370 2.853 1.00 0.00 C ATOM 181 O ILE A 11 6.329 -2.485 2.261 1.00 0.00 O ATOM 182 CB ILE A 11 6.535 -5.684 3.319 1.00 0.00 C ATOM 183 CG1 ILE A 11 7.225 -6.586 4.360 1.00 0.00 C ATOM 184 CG2 ILE A 11 7.319 -5.693 2.010 1.00 0.00 C ATOM 185 CD1 ILE A 11 7.036 -8.055 3.965 1.00 0.00 C ATOM 0 H ILE A 11 5.327 -5.259 5.295 1.00 0.00 H new ATOM 0 HA ILE A 11 7.418 -3.842 4.057 1.00 0.00 H new ATOM 0 HB ILE A 11 5.533 -6.066 3.124 1.00 0.00 H new ATOM 0 HG12 ILE A 11 8.287 -6.347 4.418 1.00 0.00 H new ATOM 0 HG13 ILE A 11 6.804 -6.407 5.349 1.00 0.00 H new ATOM 0 HG21 ILE A 11 7.387 -6.714 1.633 1.00 0.00 H new ATOM 0 HG22 ILE A 11 6.809 -5.069 1.276 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.322 -5.303 2.184 1.00 0.00 H new ATOM 0 HD11 ILE A 11 7.524 -8.695 4.700 1.00 0.00 H new ATOM 0 HD12 ILE A 11 5.972 -8.288 3.930 1.00 0.00 H new ATOM 0 HD13 ILE A 11 7.478 -8.228 2.984 1.00 0.00 H new ATOM 197 N ALA A 12 4.449 -3.649 2.678 1.00 0.00 N ATOM 198 CA ALA A 12 3.611 -2.935 1.731 1.00 0.00 C ATOM 199 C ALA A 12 3.290 -1.509 2.155 1.00 0.00 C ATOM 200 O ALA A 12 3.428 -0.585 1.361 1.00 0.00 O ATOM 201 CB ALA A 12 2.329 -3.710 1.609 1.00 0.00 C ATOM 0 H ALA A 12 3.959 -4.382 3.192 1.00 0.00 H new ATOM 0 HA ALA A 12 4.152 -2.857 0.788 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.666 -3.208 0.904 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.545 -4.716 1.250 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.845 -3.769 2.584 1.00 0.00 H new ATOM 207 N ILE A 13 2.874 -1.330 3.405 1.00 0.00 N ATOM 208 CA ILE A 13 2.561 -0.010 3.907 1.00 0.00 C ATOM 209 C ILE A 13 3.816 0.825 3.828 1.00 0.00 C ATOM 210 O ILE A 13 3.781 1.994 3.489 1.00 0.00 O ATOM 211 CB ILE A 13 2.068 -0.084 5.367 1.00 0.00 C ATOM 212 CG1 ILE A 13 1.468 1.278 5.759 1.00 0.00 C ATOM 213 CG2 ILE A 13 3.235 -0.451 6.308 1.00 0.00 C ATOM 214 CD1 ILE A 13 1.838 1.648 7.195 1.00 0.00 C ATOM 0 H ILE A 13 2.748 -2.083 4.081 1.00 0.00 H new ATOM 0 HA ILE A 13 1.765 0.435 3.309 1.00 0.00 H new ATOM 0 HB ILE A 13 1.305 -0.857 5.458 1.00 0.00 H new ATOM 0 HG12 ILE A 13 1.829 2.048 5.077 1.00 0.00 H new ATOM 0 HG13 ILE A 13 0.383 1.244 5.657 1.00 0.00 H new ATOM 0 HG21 ILE A 13 2.873 -0.500 7.335 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.643 -1.420 6.021 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.014 0.307 6.234 1.00 0.00 H new ATOM 0 HD11 ILE A 13 1.401 2.615 7.446 1.00 0.00 H new ATOM 0 HD12 ILE A 13 1.455 0.889 7.877 1.00 0.00 H new ATOM 0 HD13 ILE A 13 2.923 1.705 7.288 1.00 0.00 H new ATOM 226 N GLY A 14 4.931 0.176 4.122 1.00 0.00 N ATOM 227 CA GLY A 14 6.212 0.816 4.080 1.00 0.00 C ATOM 228 C GLY A 14 6.524 1.209 2.646 1.00 0.00 C ATOM 229 O GLY A 14 7.074 2.284 2.399 1.00 0.00 O ATOM 0 H GLY A 14 4.961 -0.806 4.394 1.00 0.00 H new ATOM 0 HA2 GLY A 14 6.213 1.698 4.720 1.00 0.00 H new ATOM 0 HA3 GLY A 14 6.981 0.144 4.462 1.00 0.00 H new ATOM 233 N GLU A 15 6.143 0.337 1.691 1.00 0.00 N ATOM 234 CA GLU A 15 6.375 0.635 0.289 1.00 0.00 C ATOM 235 C GLU A 15 5.464 1.769 -0.169 1.00 0.00 C ATOM 236 O GLU A 15 5.883 2.692 -0.866 1.00 0.00 O ATOM 237 CB GLU A 15 6.026 -0.595 -0.558 1.00 0.00 C ATOM 238 CG GLU A 15 6.991 -1.755 -0.279 1.00 0.00 C ATOM 239 CD GLU A 15 7.858 -2.037 -1.507 1.00 0.00 C ATOM 240 OE1 GLU A 15 8.642 -1.172 -1.866 1.00 0.00 O ATOM 241 OE2 GLU A 15 7.724 -3.108 -2.073 1.00 0.00 O ATOM 0 H GLU A 15 5.685 -0.556 1.872 1.00 0.00 H new ATOM 0 HA GLU A 15 7.422 0.915 0.169 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.005 -0.909 -0.344 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.064 -0.334 -1.616 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.625 -1.511 0.573 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.427 -2.649 -0.011 1.00 0.00 H new ATOM 248 N ILE A 16 4.202 1.643 0.213 1.00 0.00 N ATOM 249 CA ILE A 16 3.164 2.593 -0.150 1.00 0.00 C ATOM 250 C ILE A 16 3.301 3.942 0.557 1.00 0.00 C ATOM 251 O ILE A 16 3.058 4.992 -0.041 1.00 0.00 O ATOM 252 CB ILE A 16 1.815 1.899 0.074 1.00 0.00 C ATOM 253 CG1 ILE A 16 1.773 0.779 -0.973 1.00 0.00 C ATOM 254 CG2 ILE A 16 0.619 2.855 -0.086 1.00 0.00 C ATOM 255 CD1 ILE A 16 0.519 -0.076 -0.868 1.00 0.00 C ATOM 0 H ILE A 16 3.868 0.871 0.789 1.00 0.00 H new ATOM 0 HA ILE A 16 3.257 2.867 -1.201 1.00 0.00 H new ATOM 0 HB ILE A 16 1.733 1.524 1.094 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.827 1.217 -1.970 1.00 0.00 H new ATOM 0 HG13 ILE A 16 2.651 0.144 -0.856 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -0.309 2.309 0.084 1.00 0.00 H new ATOM 0 HG22 ILE A 16 0.701 3.665 0.639 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.617 3.269 -1.094 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.543 -0.852 -1.633 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.476 -0.539 0.118 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -0.361 0.550 -1.014 1.00 0.00 H new ATOM 267 N MET A 17 3.698 3.912 1.816 1.00 0.00 N ATOM 268 CA MET A 17 3.881 5.140 2.584 1.00 0.00 C ATOM 269 C MET A 17 5.069 5.936 2.035 1.00 0.00 C ATOM 270 O MET A 17 5.144 7.154 2.206 1.00 0.00 O ATOM 271 CB MET A 17 4.081 4.803 4.070 1.00 0.00 C ATOM 272 CG MET A 17 2.741 4.358 4.676 1.00 0.00 C ATOM 273 SD MET A 17 1.574 5.736 4.747 1.00 0.00 S ATOM 274 CE MET A 17 0.061 4.738 4.624 1.00 0.00 C ATOM 0 H MET A 17 3.901 3.056 2.332 1.00 0.00 H new ATOM 0 HA MET A 17 2.988 5.759 2.490 1.00 0.00 H new ATOM 0 HB2 MET A 17 4.823 4.012 4.178 1.00 0.00 H new ATOM 0 HB3 MET A 17 4.463 5.673 4.604 1.00 0.00 H new ATOM 0 HG2 MET A 17 2.319 3.549 4.080 1.00 0.00 H new ATOM 0 HG3 MET A 17 2.904 3.963 5.679 1.00 0.00 H new ATOM 0 HE1 MET A 17 -0.809 5.377 4.773 1.00 0.00 H new ATOM 0 HE2 MET A 17 0.009 4.277 3.638 1.00 0.00 H new ATOM 0 HE3 MET A 17 0.075 3.960 5.388 1.00 0.00 H new ATOM 284 N ARG A 18 5.985 5.230 1.359 1.00 0.00 N ATOM 285 CA ARG A 18 7.164 5.852 0.761 1.00 0.00 C ATOM 286 C ARG A 18 6.763 6.750 -0.406 1.00 0.00 C ATOM 287 O ARG A 18 7.389 7.784 -0.650 1.00 0.00 O ATOM 288 CB ARG A 18 8.112 4.752 0.264 1.00 0.00 C ATOM 289 CG ARG A 18 9.363 5.365 -0.377 1.00 0.00 C ATOM 290 CD ARG A 18 10.228 4.247 -0.960 1.00 0.00 C ATOM 291 NE ARG A 18 11.486 4.793 -1.466 1.00 0.00 N ATOM 292 CZ ARG A 18 12.655 4.432 -0.949 1.00 0.00 C ATOM 293 NH1 ARG A 18 13.053 4.946 0.179 1.00 0.00 N ATOM 294 NH2 ARG A 18 13.400 3.564 -1.570 1.00 0.00 N ATOM 0 H ARG A 18 5.927 4.222 1.214 1.00 0.00 H new ATOM 0 HA ARG A 18 7.664 6.464 1.512 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.401 4.110 1.096 1.00 0.00 H new ATOM 0 HB3 ARG A 18 7.597 4.121 -0.461 1.00 0.00 H new ATOM 0 HG2 ARG A 18 9.078 6.067 -1.161 1.00 0.00 H new ATOM 0 HG3 ARG A 18 9.928 5.929 0.366 1.00 0.00 H new ATOM 0 HD2 ARG A 18 10.430 3.497 -0.195 1.00 0.00 H new ATOM 0 HD3 ARG A 18 9.692 3.744 -1.765 1.00 0.00 H new ATOM 0 HE ARG A 18 11.466 5.466 -2.233 1.00 0.00 H new ATOM 0 HH11 ARG A 18 12.467 5.625 0.665 1.00 0.00 H new ATOM 0 HH12 ARG A 18 13.951 4.669 0.577 1.00 0.00 H new ATOM 0 HH21 ARG A 18 13.086 3.162 -2.453 1.00 0.00 H new ATOM 0 HH22 ARG A 18 14.298 3.286 -1.174 1.00 0.00 H new ATOM 308 N LEU A 19 5.730 6.317 -1.129 1.00 0.00 N ATOM 309 CA LEU A 19 5.226 7.027 -2.300 1.00 0.00 C ATOM 310 C LEU A 19 5.099 8.537 -2.045 1.00 0.00 C ATOM 311 O LEU A 19 4.210 8.980 -1.315 1.00 0.00 O ATOM 312 CB LEU A 19 3.883 6.413 -2.689 1.00 0.00 C ATOM 313 CG LEU A 19 4.056 4.885 -2.807 1.00 0.00 C ATOM 314 CD1 LEU A 19 2.736 4.207 -3.178 1.00 0.00 C ATOM 315 CD2 LEU A 19 5.124 4.582 -3.861 1.00 0.00 C ATOM 0 H LEU A 19 5.219 5.460 -0.916 1.00 0.00 H new ATOM 0 HA LEU A 19 5.935 6.919 -3.121 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.127 6.651 -1.941 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.537 6.829 -3.635 1.00 0.00 H new ATOM 0 HG LEU A 19 4.370 4.490 -1.841 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.889 3.130 -3.254 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.992 4.414 -2.409 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.386 4.592 -4.136 1.00 0.00 H new ATOM 0 HD21 LEU A 19 5.252 3.503 -3.950 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.813 4.991 -4.822 1.00 0.00 H new ATOM 0 HD23 LEU A 19 6.069 5.036 -3.562 1.00 0.00 H new ATOM 327 N PRO A 20 5.999 9.324 -2.617 1.00 0.00 N ATOM 328 CA PRO A 20 6.023 10.807 -2.432 1.00 0.00 C ATOM 329 C PRO A 20 4.948 11.552 -3.222 1.00 0.00 C ATOM 330 O PRO A 20 4.742 12.746 -2.992 1.00 0.00 O ATOM 331 CB PRO A 20 7.408 11.241 -2.947 1.00 0.00 C ATOM 332 CG PRO A 20 8.112 10.014 -3.435 1.00 0.00 C ATOM 333 CD PRO A 20 7.091 8.884 -3.501 1.00 0.00 C ATOM 0 HA PRO A 20 5.830 11.046 -1.386 1.00 0.00 H new ATOM 0 HB2 PRO A 20 7.307 11.970 -3.751 1.00 0.00 H new ATOM 0 HB3 PRO A 20 7.980 11.720 -2.152 1.00 0.00 H new ATOM 0 HG2 PRO A 20 8.550 10.191 -4.417 1.00 0.00 H new ATOM 0 HG3 PRO A 20 8.930 9.751 -2.764 1.00 0.00 H new ATOM 0 HD2 PRO A 20 6.738 8.727 -4.520 1.00 0.00 H new ATOM 0 HD3 PRO A 20 7.520 7.941 -3.163 1.00 0.00 H new ATOM 341 N ASN A 21 4.293 10.879 -4.173 1.00 0.00 N ATOM 342 CA ASN A 21 3.288 11.566 -4.993 1.00 0.00 C ATOM 343 C ASN A 21 1.901 11.459 -4.378 1.00 0.00 C ATOM 344 O ASN A 21 1.302 12.470 -4.008 1.00 0.00 O ATOM 345 CB ASN A 21 3.298 11.014 -6.431 1.00 0.00 C ATOM 346 CG ASN A 21 4.717 11.101 -6.993 1.00 0.00 C ATOM 347 OD1 ASN A 21 5.190 10.123 -7.703 1.00 0.00 O flip ATOM 348 ND2 ASN A 21 5.412 12.094 -6.782 1.00 0.00 N flip ATOM 0 H ASN A 21 4.432 9.892 -4.391 1.00 0.00 H new ATOM 0 HA ASN A 21 3.548 12.624 -5.028 1.00 0.00 H new ATOM 0 HB2 ASN A 21 2.954 9.980 -6.439 1.00 0.00 H new ATOM 0 HB3 ASN A 21 2.611 11.583 -7.057 1.00 0.00 H new ATOM 0 HD21 ASN A 21 5.044 12.865 -6.225 1.00 0.00 H new ATOM 0 HD22 ASN A 21 6.356 12.146 -7.165 1.00 0.00 H new ATOM 355 N LEU A 22 1.404 10.235 -4.279 1.00 0.00 N ATOM 356 CA LEU A 22 0.074 9.968 -3.721 1.00 0.00 C ATOM 357 C LEU A 22 -0.241 10.827 -2.511 1.00 0.00 C ATOM 358 O LEU A 22 0.645 11.153 -1.716 1.00 0.00 O ATOM 359 CB LEU A 22 0.004 8.518 -3.270 1.00 0.00 C ATOM 360 CG LEU A 22 0.173 7.601 -4.469 1.00 0.00 C ATOM 361 CD1 LEU A 22 0.730 6.272 -3.991 1.00 0.00 C ATOM 362 CD2 LEU A 22 -1.180 7.379 -5.132 1.00 0.00 C ATOM 0 H LEU A 22 1.904 9.398 -4.580 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.646 10.195 -4.508 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.783 8.318 -2.534 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.952 8.324 -2.783 1.00 0.00 H new ATOM 0 HG LEU A 22 0.855 8.051 -5.190 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.856 5.603 -4.842 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.695 6.434 -3.510 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.039 5.824 -3.277 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.060 6.721 -5.993 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.864 6.921 -4.418 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.585 8.336 -5.461 1.00 0.00 H new ATOM 374 N ASN A 23 -1.525 11.122 -2.342 1.00 0.00 N ATOM 375 CA ASN A 23 -1.964 11.872 -1.180 1.00 0.00 C ATOM 376 C ASN A 23 -2.183 10.864 -0.078 1.00 0.00 C ATOM 377 O ASN A 23 -2.290 9.666 -0.352 1.00 0.00 O ATOM 378 CB ASN A 23 -3.245 12.668 -1.473 1.00 0.00 C ATOM 379 CG ASN A 23 -4.197 11.863 -2.349 1.00 0.00 C ATOM 380 OD1 ASN A 23 -4.733 10.847 -1.912 1.00 0.00 O ATOM 381 ND2 ASN A 23 -4.433 12.258 -3.570 1.00 0.00 N ATOM 0 H ASN A 23 -2.269 10.856 -2.988 1.00 0.00 H new ATOM 0 HA ASN A 23 -1.216 12.610 -0.891 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -3.738 12.928 -0.537 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -2.991 13.604 -1.970 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -5.065 11.723 -4.166 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -3.986 13.102 -3.928 1.00 0.00 H new ATOM 388 N SER A 24 -2.222 11.323 1.157 1.00 0.00 N ATOM 389 CA SER A 24 -2.387 10.404 2.268 1.00 0.00 C ATOM 390 C SER A 24 -3.567 9.475 2.052 1.00 0.00 C ATOM 391 O SER A 24 -3.508 8.327 2.426 1.00 0.00 O ATOM 392 CB SER A 24 -2.583 11.160 3.568 1.00 0.00 C ATOM 393 OG SER A 24 -3.724 12.004 3.466 1.00 0.00 O ATOM 0 H SER A 24 -2.144 12.307 1.415 1.00 0.00 H new ATOM 0 HA SER A 24 -1.476 9.808 2.326 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.711 10.458 4.392 1.00 0.00 H new ATOM 0 HB3 SER A 24 -1.697 11.755 3.791 1.00 0.00 H new ATOM 0 HG SER A 24 -3.848 12.489 4.308 1.00 0.00 H new ATOM 399 N LEU A 25 -4.630 9.970 1.443 1.00 0.00 N ATOM 400 CA LEU A 25 -5.806 9.145 1.210 1.00 0.00 C ATOM 401 C LEU A 25 -5.484 7.979 0.319 1.00 0.00 C ATOM 402 O LEU A 25 -5.826 6.860 0.647 1.00 0.00 O ATOM 403 CB LEU A 25 -6.889 9.961 0.537 1.00 0.00 C ATOM 404 CG LEU A 25 -7.184 11.240 1.328 1.00 0.00 C ATOM 405 CD1 LEU A 25 -6.194 12.358 0.962 1.00 0.00 C ATOM 406 CD2 LEU A 25 -8.587 11.696 0.962 1.00 0.00 C ATOM 0 H LEU A 25 -4.705 10.929 1.103 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.145 8.781 2.180 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -6.579 10.219 -0.476 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -7.798 9.365 0.450 1.00 0.00 H new ATOM 0 HG LEU A 25 -7.091 11.034 2.394 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.427 13.253 1.538 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.179 12.034 1.190 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -6.274 12.580 -0.102 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -8.828 12.607 1.510 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -8.638 11.892 -0.109 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -9.303 10.916 1.222 1.00 0.00 H new ATOM 418 N GLN A 26 -4.814 8.245 -0.793 1.00 0.00 N ATOM 419 CA GLN A 26 -4.436 7.189 -1.704 1.00 0.00 C ATOM 420 C GLN A 26 -3.455 6.276 -1.022 1.00 0.00 C ATOM 421 O GLN A 26 -3.571 5.059 -1.072 1.00 0.00 O ATOM 422 CB GLN A 26 -3.800 7.782 -2.923 1.00 0.00 C ATOM 423 CG GLN A 26 -4.895 8.433 -3.764 1.00 0.00 C ATOM 424 CD GLN A 26 -4.322 9.434 -4.748 1.00 0.00 C ATOM 425 OE1 GLN A 26 -3.242 9.989 -4.539 1.00 0.00 O ATOM 426 NE2 GLN A 26 -5.000 9.700 -5.820 1.00 0.00 N ATOM 0 H GLN A 26 -4.525 9.180 -1.080 1.00 0.00 H new ATOM 0 HA GLN A 26 -5.321 6.625 -1.997 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -3.049 8.520 -2.639 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -3.287 7.011 -3.498 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -5.445 7.663 -4.306 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -5.609 8.933 -3.109 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -5.893 9.237 -5.987 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -4.640 10.373 -6.497 1.00 0.00 H new ATOM 435 N VAL A 27 -2.514 6.908 -0.344 1.00 0.00 N ATOM 436 CA VAL A 27 -1.500 6.208 0.407 1.00 0.00 C ATOM 437 C VAL A 27 -2.189 5.313 1.425 1.00 0.00 C ATOM 438 O VAL A 27 -1.838 4.147 1.605 1.00 0.00 O ATOM 439 CB VAL A 27 -0.637 7.277 1.108 1.00 0.00 C ATOM 440 CG1 VAL A 27 0.172 6.699 2.261 1.00 0.00 C ATOM 441 CG2 VAL A 27 0.326 7.914 0.101 1.00 0.00 C ATOM 0 H VAL A 27 -2.435 7.924 -0.302 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.871 5.586 -0.230 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.320 8.024 1.511 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.763 7.490 2.723 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.504 6.272 3.002 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.837 5.921 1.885 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.932 8.668 0.604 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.976 7.145 -0.317 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.244 8.383 -0.701 1.00 0.00 H new ATOM 451 N VAL A 28 -3.193 5.889 2.058 1.00 0.00 N ATOM 452 CA VAL A 28 -4.000 5.191 3.048 1.00 0.00 C ATOM 453 C VAL A 28 -4.916 4.181 2.398 1.00 0.00 C ATOM 454 O VAL A 28 -5.197 3.120 2.952 1.00 0.00 O ATOM 455 CB VAL A 28 -4.752 6.167 3.930 1.00 0.00 C ATOM 456 CG1 VAL A 28 -5.569 5.379 4.959 1.00 0.00 C ATOM 457 CG2 VAL A 28 -3.707 7.015 4.657 1.00 0.00 C ATOM 0 H VAL A 28 -3.475 6.857 1.902 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.326 4.632 3.697 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.423 6.794 3.343 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.114 6.073 5.599 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -6.276 4.730 4.442 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -4.899 4.773 5.569 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.209 7.734 5.305 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.068 6.368 5.258 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.099 7.548 3.926 1.00 0.00 H new ATOM 467 N ALA A 29 -5.383 4.545 1.219 1.00 0.00 N ATOM 468 CA ALA A 29 -6.276 3.713 0.450 1.00 0.00 C ATOM 469 C ALA A 29 -5.639 2.373 0.290 1.00 0.00 C ATOM 470 O ALA A 29 -6.293 1.333 0.359 1.00 0.00 O ATOM 471 CB ALA A 29 -6.433 4.323 -0.925 1.00 0.00 C ATOM 0 H ALA A 29 -5.150 5.431 0.770 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.243 3.629 0.946 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -7.106 3.707 -1.522 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -6.847 5.327 -0.832 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.460 4.375 -1.413 1.00 0.00 H new ATOM 477 N PHE A 30 -4.336 2.421 0.105 1.00 0.00 N ATOM 478 CA PHE A 30 -3.581 1.245 -0.030 1.00 0.00 C ATOM 479 C PHE A 30 -3.501 0.544 1.280 1.00 0.00 C ATOM 480 O PHE A 30 -3.624 -0.669 1.303 1.00 0.00 O ATOM 481 CB PHE A 30 -2.209 1.583 -0.516 1.00 0.00 C ATOM 482 CG PHE A 30 -2.307 1.834 -1.979 1.00 0.00 C ATOM 483 CD1 PHE A 30 -2.619 0.776 -2.825 1.00 0.00 C ATOM 484 CD2 PHE A 30 -2.152 3.118 -2.482 1.00 0.00 C ATOM 485 CE1 PHE A 30 -2.757 1.000 -4.181 1.00 0.00 C ATOM 486 CE2 PHE A 30 -2.302 3.351 -3.831 1.00 0.00 C ATOM 487 CZ PHE A 30 -2.600 2.287 -4.697 1.00 0.00 C ATOM 0 H PHE A 30 -3.795 3.284 0.048 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.063 0.587 -0.753 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -1.825 2.463 -0.000 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.517 0.766 -0.312 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -2.753 -0.218 -2.423 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -1.914 3.934 -1.816 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -2.987 0.178 -4.843 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.190 4.351 -4.222 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.707 2.464 -5.757 1.00 0.00 H new ATOM 497 N ILE A 31 -3.341 1.304 2.382 1.00 0.00 N ATOM 498 CA ILE A 31 -3.286 0.647 3.683 1.00 0.00 C ATOM 499 C ILE A 31 -4.551 -0.180 3.817 1.00 0.00 C ATOM 500 O ILE A 31 -4.548 -1.301 4.332 1.00 0.00 O ATOM 501 CB ILE A 31 -3.307 1.626 4.866 1.00 0.00 C ATOM 502 CG1 ILE A 31 -2.155 2.620 4.805 1.00 0.00 C ATOM 503 CG2 ILE A 31 -3.198 0.835 6.181 1.00 0.00 C ATOM 504 CD1 ILE A 31 -2.362 3.659 5.918 1.00 0.00 C ATOM 0 H ILE A 31 -3.253 2.320 2.393 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.357 0.077 3.718 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.244 2.182 4.817 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.202 2.107 4.936 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.124 3.107 3.830 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -3.213 1.526 7.024 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -4.039 0.146 6.262 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.265 0.271 6.190 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -1.548 4.384 5.895 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.310 4.174 5.764 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -2.375 3.158 6.886 1.00 0.00 H new ATOM 516 N ASN A 32 -5.636 0.425 3.334 1.00 0.00 N ATOM 517 CA ASN A 32 -6.944 -0.193 3.374 1.00 0.00 C ATOM 518 C ASN A 32 -7.042 -1.392 2.445 1.00 0.00 C ATOM 519 O ASN A 32 -7.673 -2.386 2.786 1.00 0.00 O ATOM 520 CB ASN A 32 -7.990 0.851 2.991 1.00 0.00 C ATOM 521 CG ASN A 32 -8.388 1.672 4.213 1.00 0.00 C ATOM 522 OD1 ASN A 32 -9.097 1.179 5.090 1.00 0.00 O ATOM 523 ND2 ASN A 32 -7.965 2.899 4.327 1.00 0.00 N ATOM 0 H ASN A 32 -5.625 1.352 2.908 1.00 0.00 H new ATOM 0 HA ASN A 32 -7.119 -0.559 4.386 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -7.593 1.507 2.217 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -8.868 0.360 2.572 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -8.221 3.453 5.144 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -7.378 3.306 3.599 1.00 0.00 H new ATOM 530 N SER A 33 -6.435 -1.300 1.268 1.00 0.00 N ATOM 531 CA SER A 33 -6.496 -2.397 0.327 1.00 0.00 C ATOM 532 C SER A 33 -5.739 -3.614 0.857 1.00 0.00 C ATOM 533 O SER A 33 -6.161 -4.751 0.643 1.00 0.00 O ATOM 534 CB SER A 33 -5.924 -1.958 -1.008 1.00 0.00 C ATOM 535 OG SER A 33 -6.498 -0.714 -1.386 1.00 0.00 O ATOM 0 H SER A 33 -5.904 -0.488 0.951 1.00 0.00 H new ATOM 0 HA SER A 33 -7.539 -2.684 0.193 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.840 -1.864 -0.938 1.00 0.00 H new ATOM 0 HB3 SER A 33 -6.130 -2.711 -1.769 1.00 0.00 H new ATOM 0 HG SER A 33 -6.148 -0.004 -0.809 1.00 0.00 H new ATOM 541 N LEU A 34 -4.614 -3.367 1.538 1.00 0.00 N ATOM 542 CA LEU A 34 -3.802 -4.482 2.084 1.00 0.00 C ATOM 543 C LEU A 34 -4.646 -5.345 3.019 1.00 0.00 C ATOM 544 O LEU A 34 -4.589 -6.568 2.969 1.00 0.00 O ATOM 545 CB LEU A 34 -2.571 -4.029 2.901 1.00 0.00 C ATOM 546 CG LEU A 34 -1.981 -2.698 2.433 1.00 0.00 C ATOM 547 CD1 LEU A 34 -0.687 -2.408 3.194 1.00 0.00 C ATOM 548 CD2 LEU A 34 -1.660 -2.729 0.942 1.00 0.00 C ATOM 0 H LEU A 34 -4.245 -2.435 1.725 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.457 -5.027 1.205 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.854 -3.943 3.950 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.802 -4.799 2.840 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.723 -1.923 2.625 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.271 -1.459 2.856 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.898 -2.353 4.262 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.032 -3.206 3.007 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.242 -1.769 0.640 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.936 -3.519 0.742 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.572 -2.922 0.377 1.00 0.00 H new ATOM 560 N ARG A 35 -5.414 -4.690 3.884 1.00 0.00 N ATOM 561 CA ARG A 35 -6.264 -5.400 4.838 1.00 0.00 C ATOM 562 C ARG A 35 -7.391 -6.107 4.097 1.00 0.00 C ATOM 563 O ARG A 35 -7.807 -7.203 4.473 1.00 0.00 O ATOM 564 CB ARG A 35 -6.792 -4.410 5.893 1.00 0.00 C ATOM 565 CG ARG A 35 -8.160 -3.833 5.499 1.00 0.00 C ATOM 566 CD ARG A 35 -8.374 -2.466 6.169 1.00 0.00 C ATOM 567 NE ARG A 35 -9.288 -1.640 5.375 1.00 0.00 N ATOM 568 CZ ARG A 35 -10.394 -2.145 4.832 1.00 0.00 C ATOM 569 NH1 ARG A 35 -11.500 -2.176 5.516 1.00 0.00 N ATOM 570 NH2 ARG A 35 -10.367 -2.607 3.613 1.00 0.00 N ATOM 0 H ARG A 35 -5.467 -3.673 3.945 1.00 0.00 H new ATOM 0 HA ARG A 35 -5.688 -6.164 5.360 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -6.874 -4.914 6.856 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -6.077 -3.597 6.019 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -8.220 -3.728 4.416 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -8.952 -4.520 5.797 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -8.779 -2.606 7.171 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -7.417 -1.956 6.280 1.00 0.00 H new ATOM 0 HE ARG A 35 -9.071 -0.653 5.235 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -11.521 -1.813 6.469 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -12.347 -2.563 5.099 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -9.500 -2.581 3.077 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -11.213 -2.994 3.195 1.00 0.00 H new ATOM 584 N ASP A 36 -7.850 -5.472 3.020 1.00 0.00 N ATOM 585 CA ASP A 36 -8.896 -6.033 2.189 1.00 0.00 C ATOM 586 C ASP A 36 -8.345 -7.262 1.479 1.00 0.00 C ATOM 587 O ASP A 36 -9.096 -8.145 1.058 1.00 0.00 O ATOM 588 CB ASP A 36 -9.357 -4.987 1.163 1.00 0.00 C ATOM 589 CG ASP A 36 -10.860 -5.109 0.927 1.00 0.00 C ATOM 590 OD1 ASP A 36 -11.245 -5.895 0.075 1.00 0.00 O ATOM 591 OD2 ASP A 36 -11.605 -4.417 1.603 1.00 0.00 O ATOM 0 H ASP A 36 -7.507 -4.564 2.707 1.00 0.00 H new ATOM 0 HA ASP A 36 -9.752 -6.318 2.801 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -9.118 -3.986 1.521 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -8.821 -5.127 0.224 1.00 0.00 H new ATOM 596 N ASP A 37 -7.012 -7.291 1.356 1.00 0.00 N ATOM 597 CA ASP A 37 -6.320 -8.394 0.696 1.00 0.00 C ATOM 598 C ASP A 37 -4.797 -8.276 0.899 1.00 0.00 C ATOM 599 O ASP A 37 -4.132 -7.509 0.197 1.00 0.00 O ATOM 600 CB ASP A 37 -6.643 -8.374 -0.801 1.00 0.00 C ATOM 601 CG ASP A 37 -6.301 -9.725 -1.433 1.00 0.00 C ATOM 602 OD1 ASP A 37 -5.204 -10.205 -1.205 1.00 0.00 O ATOM 603 OD2 ASP A 37 -7.141 -10.261 -2.136 1.00 0.00 O ATOM 0 H ASP A 37 -6.394 -6.559 1.707 1.00 0.00 H new ATOM 0 HA ASP A 37 -6.657 -9.334 1.134 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -7.700 -8.152 -0.950 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -6.078 -7.581 -1.292 1.00 0.00 H new ATOM 608 N PRO A 38 -4.235 -9.008 1.845 1.00 0.00 N ATOM 609 CA PRO A 38 -2.770 -8.962 2.130 1.00 0.00 C ATOM 610 C PRO A 38 -1.940 -9.625 1.035 1.00 0.00 C ATOM 611 O PRO A 38 -0.838 -9.171 0.727 1.00 0.00 O ATOM 612 CB PRO A 38 -2.599 -9.705 3.462 1.00 0.00 C ATOM 613 CG PRO A 38 -3.959 -10.140 3.900 1.00 0.00 C ATOM 614 CD PRO A 38 -4.925 -9.951 2.732 1.00 0.00 C ATOM 0 HA PRO A 38 -2.417 -7.932 2.174 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -1.940 -10.565 3.342 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -2.143 -9.056 4.209 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -3.941 -11.184 4.212 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -4.285 -9.556 4.760 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -5.130 -10.895 2.228 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -5.883 -9.554 3.068 1.00 0.00 H new ATOM 622 N SER A 39 -2.477 -10.693 0.437 1.00 0.00 N ATOM 623 CA SER A 39 -1.765 -11.388 -0.631 1.00 0.00 C ATOM 624 C SER A 39 -1.586 -10.437 -1.802 1.00 0.00 C ATOM 625 O SER A 39 -0.629 -10.546 -2.571 1.00 0.00 O ATOM 626 CB SER A 39 -2.530 -12.644 -1.072 1.00 0.00 C ATOM 627 OG SER A 39 -3.663 -12.280 -1.849 1.00 0.00 O ATOM 0 H SER A 39 -3.388 -11.088 0.672 1.00 0.00 H new ATOM 0 HA SER A 39 -0.789 -11.707 -0.264 1.00 0.00 H new ATOM 0 HB2 SER A 39 -1.875 -13.293 -1.653 1.00 0.00 H new ATOM 0 HB3 SER A 39 -2.847 -13.212 -0.197 1.00 0.00 H new ATOM 0 HG SER A 39 -4.096 -11.497 -1.450 1.00 0.00 H new ATOM 633 N GLN A 40 -2.518 -9.489 -1.904 1.00 0.00 N ATOM 634 CA GLN A 40 -2.479 -8.490 -2.954 1.00 0.00 C ATOM 635 C GLN A 40 -1.837 -7.199 -2.459 1.00 0.00 C ATOM 636 O GLN A 40 -1.863 -6.196 -3.163 1.00 0.00 O ATOM 637 CB GLN A 40 -3.890 -8.206 -3.476 1.00 0.00 C ATOM 638 CG GLN A 40 -4.411 -9.433 -4.231 1.00 0.00 C ATOM 639 CD GLN A 40 -5.801 -9.163 -4.799 1.00 0.00 C ATOM 640 OE1 GLN A 40 -6.565 -8.366 -4.251 1.00 0.00 O ATOM 641 NE2 GLN A 40 -6.171 -9.783 -5.880 1.00 0.00 N ATOM 0 H GLN A 40 -3.309 -9.398 -1.266 1.00 0.00 H new ATOM 0 HA GLN A 40 -1.872 -8.885 -3.769 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -4.555 -7.967 -2.646 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -3.878 -7.338 -4.135 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -3.725 -9.688 -5.039 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -4.447 -10.291 -3.560 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -5.537 -10.442 -6.332 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -7.095 -9.610 -6.276 1.00 0.00 H new ATOM 650 N SER A 41 -1.229 -7.225 -1.261 1.00 0.00 N ATOM 651 CA SER A 41 -0.568 -6.030 -0.735 1.00 0.00 C ATOM 652 C SER A 41 0.434 -5.575 -1.775 1.00 0.00 C ATOM 653 O SER A 41 0.532 -4.401 -2.080 1.00 0.00 O ATOM 654 CB SER A 41 0.154 -6.342 0.591 1.00 0.00 C ATOM 655 OG SER A 41 1.299 -7.135 0.315 1.00 0.00 O ATOM 0 H SER A 41 -1.184 -8.043 -0.654 1.00 0.00 H new ATOM 0 HA SER A 41 -1.303 -5.251 -0.533 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.447 -5.417 1.088 1.00 0.00 H new ATOM 0 HB3 SER A 41 -0.516 -6.870 1.270 1.00 0.00 H new ATOM 0 HG SER A 41 2.070 -6.552 0.154 1.00 0.00 H new ATOM 661 N ALA A 42 1.138 -6.552 -2.335 1.00 0.00 N ATOM 662 CA ALA A 42 2.120 -6.323 -3.372 1.00 0.00 C ATOM 663 C ALA A 42 1.491 -5.729 -4.629 1.00 0.00 C ATOM 664 O ALA A 42 2.094 -4.885 -5.277 1.00 0.00 O ATOM 665 CB ALA A 42 2.781 -7.647 -3.731 1.00 0.00 C ATOM 0 H ALA A 42 1.037 -7.533 -2.075 1.00 0.00 H new ATOM 0 HA ALA A 42 2.852 -5.611 -2.990 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.523 -7.483 -4.512 1.00 0.00 H new ATOM 0 HB2 ALA A 42 3.269 -8.061 -2.849 1.00 0.00 H new ATOM 0 HB3 ALA A 42 2.025 -8.346 -4.089 1.00 0.00 H new ATOM 671 N ASN A 43 0.277 -6.176 -4.955 1.00 0.00 N ATOM 672 CA ASN A 43 -0.447 -5.690 -6.124 1.00 0.00 C ATOM 673 C ASN A 43 -0.898 -4.274 -5.880 1.00 0.00 C ATOM 674 O ASN A 43 -0.951 -3.437 -6.775 1.00 0.00 O ATOM 675 CB ASN A 43 -1.677 -6.551 -6.311 1.00 0.00 C ATOM 676 CG ASN A 43 -2.329 -6.303 -7.666 1.00 0.00 C ATOM 677 OD1 ASN A 43 -1.655 -5.983 -8.646 1.00 0.00 O ATOM 678 ND2 ASN A 43 -3.618 -6.438 -7.774 1.00 0.00 N ATOM 0 H ASN A 43 -0.227 -6.881 -4.418 1.00 0.00 H new ATOM 0 HA ASN A 43 0.197 -5.730 -7.002 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -1.403 -7.603 -6.224 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -2.394 -6.342 -5.517 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -4.074 -6.279 -8.672 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -4.173 -6.703 -6.960 1.00 0.00 H new ATOM 685 N LEU A 44 -1.251 -4.059 -4.638 1.00 0.00 N ATOM 686 CA LEU A 44 -1.731 -2.782 -4.168 1.00 0.00 C ATOM 687 C LEU A 44 -0.604 -1.811 -4.103 1.00 0.00 C ATOM 688 O LEU A 44 -0.684 -0.707 -4.605 1.00 0.00 O ATOM 689 CB LEU A 44 -2.338 -3.014 -2.805 1.00 0.00 C ATOM 690 CG LEU A 44 -3.589 -3.843 -3.023 1.00 0.00 C ATOM 691 CD1 LEU A 44 -4.075 -4.472 -1.718 1.00 0.00 C ATOM 692 CD2 LEU A 44 -4.627 -2.922 -3.623 1.00 0.00 C ATOM 0 H LEU A 44 -1.213 -4.776 -3.913 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.478 -2.362 -4.842 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.637 -3.535 -2.152 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.580 -2.067 -2.322 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.388 -4.676 -3.696 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -4.973 -5.059 -1.910 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.297 -5.120 -1.314 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.302 -3.686 -0.998 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -5.548 -3.477 -3.798 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.824 -2.099 -2.936 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.258 -2.525 -4.568 1.00 0.00 H new ATOM 704 N LEU A 45 0.467 -2.277 -3.525 1.00 0.00 N ATOM 705 CA LEU A 45 1.665 -1.498 -3.430 1.00 0.00 C ATOM 706 C LEU A 45 2.198 -1.320 -4.845 1.00 0.00 C ATOM 707 O LEU A 45 2.725 -0.269 -5.201 1.00 0.00 O ATOM 708 CB LEU A 45 2.613 -2.196 -2.445 1.00 0.00 C ATOM 709 CG LEU A 45 3.844 -2.737 -3.120 1.00 0.00 C ATOM 710 CD1 LEU A 45 4.762 -1.559 -3.436 1.00 0.00 C ATOM 711 CD2 LEU A 45 4.516 -3.724 -2.160 1.00 0.00 C ATOM 0 H LEU A 45 0.532 -3.206 -3.108 1.00 0.00 H new ATOM 0 HA LEU A 45 1.516 -0.496 -3.028 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.908 -1.491 -1.668 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.084 -3.012 -1.952 1.00 0.00 H new ATOM 0 HG LEU A 45 3.607 -3.258 -4.048 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.665 -1.923 -3.927 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.246 -0.862 -4.096 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.032 -1.050 -2.511 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.413 -4.132 -2.626 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.788 -3.208 -1.239 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.826 -4.536 -1.931 1.00 0.00 H new ATOM 723 N ALA A 46 1.967 -2.348 -5.661 1.00 0.00 N ATOM 724 CA ALA A 46 2.337 -2.298 -7.073 1.00 0.00 C ATOM 725 C ALA A 46 1.503 -1.227 -7.727 1.00 0.00 C ATOM 726 O ALA A 46 1.997 -0.425 -8.521 1.00 0.00 O ATOM 727 CB ALA A 46 2.016 -3.615 -7.775 1.00 0.00 C ATOM 0 H ALA A 46 1.527 -3.221 -5.369 1.00 0.00 H new ATOM 0 HA ALA A 46 3.407 -2.102 -7.150 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.303 -3.547 -8.824 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.569 -4.425 -7.299 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.947 -3.815 -7.703 1.00 0.00 H new ATOM 733 N GLU A 47 0.222 -1.220 -7.352 1.00 0.00 N ATOM 734 CA GLU A 47 -0.706 -0.252 -7.861 1.00 0.00 C ATOM 735 C GLU A 47 -0.305 1.102 -7.366 1.00 0.00 C ATOM 736 O GLU A 47 -0.309 2.062 -8.094 1.00 0.00 O ATOM 737 CB GLU A 47 -2.095 -0.578 -7.334 1.00 0.00 C ATOM 738 CG GLU A 47 -2.970 -1.079 -8.480 1.00 0.00 C ATOM 739 CD GLU A 47 -3.428 0.098 -9.345 1.00 0.00 C ATOM 740 OE1 GLU A 47 -2.676 0.501 -10.217 1.00 0.00 O ATOM 741 OE2 GLU A 47 -4.525 0.583 -9.119 1.00 0.00 O ATOM 0 H GLU A 47 -0.182 -1.885 -6.693 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.708 -0.269 -8.951 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -2.031 -1.336 -6.553 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.541 0.308 -6.882 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.413 -1.792 -9.088 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -3.837 -1.607 -8.082 1.00 0.00 H new ATOM 748 N ALA A 48 0.049 1.135 -6.106 1.00 0.00 N ATOM 749 CA ALA A 48 0.469 2.349 -5.450 1.00 0.00 C ATOM 750 C ALA A 48 1.651 2.949 -6.176 1.00 0.00 C ATOM 751 O ALA A 48 1.660 4.135 -6.479 1.00 0.00 O ATOM 752 CB ALA A 48 0.849 2.029 -4.023 1.00 0.00 C ATOM 0 H ALA A 48 0.054 0.314 -5.501 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.348 3.071 -5.460 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.168 2.941 -3.518 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -0.012 1.609 -3.503 1.00 0.00 H new ATOM 0 HB3 ALA A 48 1.665 1.306 -4.017 1.00 0.00 H new ATOM 758 N LYS A 49 2.624 2.110 -6.496 1.00 0.00 N ATOM 759 CA LYS A 49 3.781 2.573 -7.242 1.00 0.00 C ATOM 760 C LYS A 49 3.315 3.026 -8.617 1.00 0.00 C ATOM 761 O LYS A 49 3.810 4.011 -9.161 1.00 0.00 O ATOM 762 CB LYS A 49 4.829 1.462 -7.369 1.00 0.00 C ATOM 763 CG LYS A 49 5.511 1.252 -6.011 1.00 0.00 C ATOM 764 CD LYS A 49 6.609 0.190 -6.134 1.00 0.00 C ATOM 765 CE LYS A 49 7.281 -0.007 -4.771 1.00 0.00 C ATOM 766 NZ LYS A 49 7.756 -1.415 -4.646 1.00 0.00 N ATOM 0 H LYS A 49 2.636 1.119 -6.255 1.00 0.00 H new ATOM 0 HA LYS A 49 4.248 3.404 -6.714 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.357 0.537 -7.699 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.569 1.729 -8.123 1.00 0.00 H new ATOM 0 HG2 LYS A 49 5.940 2.191 -5.661 1.00 0.00 H new ATOM 0 HG3 LYS A 49 4.775 0.942 -5.269 1.00 0.00 H new ATOM 0 HD2 LYS A 49 6.183 -0.751 -6.481 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.347 0.498 -6.875 1.00 0.00 H new ATOM 0 HE2 LYS A 49 8.120 0.681 -4.665 1.00 0.00 H new ATOM 0 HE3 LYS A 49 6.577 0.222 -3.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 7.279 -1.872 -3.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 7.537 -1.934 -5.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 8.784 -1.422 -4.488 1.00 0.00 H new ATOM 780 N LYS A 50 2.319 2.310 -9.145 1.00 0.00 N ATOM 781 CA LYS A 50 1.738 2.642 -10.433 1.00 0.00 C ATOM 782 C LYS A 50 0.946 3.942 -10.311 1.00 0.00 C ATOM 783 O LYS A 50 0.947 4.760 -11.213 1.00 0.00 O ATOM 784 CB LYS A 50 0.836 1.486 -10.891 1.00 0.00 C ATOM 785 CG LYS A 50 0.556 1.574 -12.400 1.00 0.00 C ATOM 786 CD LYS A 50 0.627 0.169 -13.031 1.00 0.00 C ATOM 787 CE LYS A 50 -0.410 -0.770 -12.393 1.00 0.00 C ATOM 788 NZ LYS A 50 -1.784 -0.280 -12.701 1.00 0.00 N ATOM 0 H LYS A 50 1.902 1.496 -8.693 1.00 0.00 H new ATOM 0 HA LYS A 50 2.522 2.786 -11.176 1.00 0.00 H new ATOM 0 HB2 LYS A 50 1.313 0.534 -10.660 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.104 1.513 -10.340 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -0.429 2.009 -12.571 1.00 0.00 H new ATOM 0 HG3 LYS A 50 1.283 2.233 -12.876 1.00 0.00 H new ATOM 0 HD2 LYS A 50 0.450 0.238 -14.104 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.627 -0.244 -12.899 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -0.281 -1.783 -12.773 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -0.262 -0.813 -11.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -2.153 0.253 -11.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -1.753 0.340 -13.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -2.406 -1.090 -12.895 1.00 0.00 H new ATOM 802 N LEU A 51 0.287 4.100 -9.161 1.00 0.00 N ATOM 803 CA LEU A 51 -0.520 5.273 -8.845 1.00 0.00 C ATOM 804 C LEU A 51 0.371 6.480 -8.643 1.00 0.00 C ATOM 805 O LEU A 51 0.104 7.573 -9.137 1.00 0.00 O ATOM 806 CB LEU A 51 -1.242 5.027 -7.517 1.00 0.00 C ATOM 807 CG LEU A 51 -2.668 4.484 -7.679 1.00 0.00 C ATOM 808 CD1 LEU A 51 -3.600 5.609 -8.156 1.00 0.00 C ATOM 809 CD2 LEU A 51 -2.699 3.264 -8.627 1.00 0.00 C ATOM 0 H LEU A 51 0.301 3.405 -8.415 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.219 5.448 -9.663 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.660 4.322 -6.923 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.280 5.961 -6.956 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.026 4.133 -6.711 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.612 5.220 -8.270 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -3.602 6.415 -7.423 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.248 5.991 -9.114 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.723 2.902 -8.721 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.326 3.556 -9.608 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.070 2.472 -8.221 1.00 0.00 H new ATOM 821 N ASN A 52 1.433 6.241 -7.882 1.00 0.00 N ATOM 822 CA ASN A 52 2.402 7.261 -7.552 1.00 0.00 C ATOM 823 C ASN A 52 3.007 7.796 -8.828 1.00 0.00 C ATOM 824 O ASN A 52 3.091 9.006 -9.046 1.00 0.00 O ATOM 825 CB ASN A 52 3.479 6.616 -6.666 1.00 0.00 C ATOM 826 CG ASN A 52 4.510 7.636 -6.200 1.00 0.00 C ATOM 827 OD1 ASN A 52 4.246 8.415 -5.287 1.00 0.00 O ATOM 828 ND2 ASN A 52 5.682 7.666 -6.768 1.00 0.00 N ATOM 0 H ASN A 52 1.640 5.328 -7.478 1.00 0.00 H new ATOM 0 HA ASN A 52 1.939 8.090 -7.018 1.00 0.00 H new ATOM 0 HB2 ASN A 52 3.008 6.153 -5.799 1.00 0.00 H new ATOM 0 HB3 ASN A 52 3.978 5.821 -7.220 1.00 0.00 H new ATOM 0 HD21 ASN A 52 6.383 8.337 -6.455 1.00 0.00 H new ATOM 0 HD22 ASN A 52 5.898 7.018 -7.526 1.00 0.00 H new ATOM 835 N ASP A 53 3.403 6.859 -9.668 1.00 0.00 N ATOM 836 CA ASP A 53 3.991 7.168 -10.943 1.00 0.00 C ATOM 837 C ASP A 53 2.959 7.718 -11.927 1.00 0.00 C ATOM 838 O ASP A 53 3.270 8.586 -12.747 1.00 0.00 O ATOM 839 CB ASP A 53 4.626 5.897 -11.521 1.00 0.00 C ATOM 840 CG ASP A 53 5.783 5.394 -10.638 1.00 0.00 C ATOM 841 OD1 ASP A 53 6.245 6.138 -9.781 1.00 0.00 O ATOM 842 OD2 ASP A 53 6.187 4.260 -10.832 1.00 0.00 O ATOM 0 H ASP A 53 3.323 5.860 -9.478 1.00 0.00 H new ATOM 0 HA ASP A 53 4.747 7.939 -10.792 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.869 5.118 -11.609 1.00 0.00 H new ATOM 0 HB3 ASP A 53 4.995 6.098 -12.527 1.00 0.00 H new ATOM 847 N ALA A 54 1.747 7.160 -11.873 1.00 0.00 N ATOM 848 CA ALA A 54 0.681 7.546 -12.805 1.00 0.00 C ATOM 849 C ALA A 54 0.080 8.908 -12.527 1.00 0.00 C ATOM 850 O ALA A 54 -0.241 9.646 -13.462 1.00 0.00 O ATOM 851 CB ALA A 54 -0.449 6.542 -12.700 1.00 0.00 C ATOM 0 H ALA A 54 1.479 6.443 -11.198 1.00 0.00 H new ATOM 0 HA ALA A 54 1.144 7.575 -13.792 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.247 6.819 -13.389 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.078 5.549 -12.955 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.835 6.534 -11.681 1.00 0.00 H new ATOM 857 N GLN A 55 -0.113 9.229 -11.254 1.00 0.00 N ATOM 858 CA GLN A 55 -0.725 10.492 -10.908 1.00 0.00 C ATOM 859 C GLN A 55 0.301 11.588 -10.862 1.00 0.00 C ATOM 860 O GLN A 55 0.076 12.693 -11.363 1.00 0.00 O ATOM 861 CB GLN A 55 -1.353 10.374 -9.537 1.00 0.00 C ATOM 862 CG GLN A 55 -2.498 9.368 -9.551 1.00 0.00 C ATOM 863 CD GLN A 55 -3.055 9.245 -8.145 1.00 0.00 C ATOM 864 OE1 GLN A 55 -3.987 8.481 -7.913 1.00 0.00 O ATOM 865 NE2 GLN A 55 -2.541 9.972 -7.186 1.00 0.00 N ATOM 0 H GLN A 55 0.142 8.640 -10.461 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.473 10.732 -11.663 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -0.600 10.064 -8.812 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.723 11.348 -9.216 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.278 9.693 -10.239 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.145 8.399 -9.904 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.766 10.605 -7.385 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.915 9.906 -6.239 1.00 0.00 H new ATOM 874 N ALA A 56 1.411 11.267 -10.210 1.00 0.00 N ATOM 875 CA ALA A 56 2.498 12.224 -10.017 1.00 0.00 C ATOM 876 C ALA A 56 1.925 13.620 -9.679 1.00 0.00 C ATOM 877 O ALA A 56 2.311 14.617 -10.294 1.00 0.00 O ATOM 878 CB ALA A 56 3.366 12.284 -11.279 1.00 0.00 C ATOM 0 H ALA A 56 1.585 10.348 -9.804 1.00 0.00 H new ATOM 0 HA ALA A 56 3.119 11.899 -9.182 1.00 0.00 H new ATOM 0 HB1 ALA A 56 4.175 12.999 -11.130 1.00 0.00 H new ATOM 0 HB2 ALA A 56 3.785 11.298 -11.480 1.00 0.00 H new ATOM 0 HB3 ALA A 56 2.756 12.598 -12.126 1.00 0.00 H new ATOM 884 N PRO A 57 0.994 13.694 -8.724 1.00 0.00 N ATOM 885 CA PRO A 57 0.316 14.950 -8.281 1.00 0.00 C ATOM 886 C PRO A 57 1.201 16.192 -8.390 1.00 0.00 C ATOM 887 O PRO A 57 2.130 16.382 -7.601 1.00 0.00 O ATOM 888 CB PRO A 57 -0.068 14.648 -6.811 1.00 0.00 C ATOM 889 CG PRO A 57 0.410 13.253 -6.562 1.00 0.00 C ATOM 890 CD PRO A 57 0.455 12.602 -7.928 1.00 0.00 C ATOM 0 HA PRO A 57 -0.538 15.193 -8.914 1.00 0.00 H new ATOM 0 HB2 PRO A 57 0.403 15.354 -6.127 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -1.145 14.729 -6.660 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.393 13.251 -6.092 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -0.264 12.719 -5.893 1.00 0.00 H new ATOM 0 HD2 PRO A 57 1.095 11.720 -7.946 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -0.531 12.287 -8.270 1.00 0.00 H new ATOM 898 N LYS A 58 0.901 17.021 -9.384 1.00 0.00 N ATOM 899 CA LYS A 58 1.660 18.249 -9.622 1.00 0.00 C ATOM 900 C LYS A 58 1.114 19.394 -8.766 1.00 0.00 C ATOM 901 O LYS A 58 -0.098 19.528 -8.687 1.00 0.00 O ATOM 902 CB LYS A 58 1.581 18.629 -11.107 1.00 0.00 C ATOM 903 CG LYS A 58 2.236 17.533 -11.958 1.00 0.00 C ATOM 904 CD LYS A 58 2.251 17.962 -13.430 1.00 0.00 C ATOM 905 CE LYS A 58 2.792 16.820 -14.295 1.00 0.00 C ATOM 906 NZ LYS A 58 2.796 17.241 -15.724 1.00 0.00 N ATOM 907 OXT LYS A 58 1.916 20.120 -8.202 1.00 0.00 O ATOM 0 H LYS A 58 0.136 16.867 -10.041 1.00 0.00 H new ATOM 0 HA LYS A 58 2.700 18.073 -9.347 1.00 0.00 H new ATOM 0 HB2 LYS A 58 0.540 18.760 -11.404 1.00 0.00 H new ATOM 0 HB3 LYS A 58 2.083 19.582 -11.275 1.00 0.00 H new ATOM 0 HG2 LYS A 58 3.253 17.350 -11.612 1.00 0.00 H new ATOM 0 HG3 LYS A 58 1.688 16.597 -11.847 1.00 0.00 H new ATOM 0 HD2 LYS A 58 1.244 18.229 -13.751 1.00 0.00 H new ATOM 0 HD3 LYS A 58 2.871 18.850 -13.554 1.00 0.00 H new ATOM 0 HE2 LYS A 58 3.801 16.557 -13.979 1.00 0.00 H new ATOM 0 HE3 LYS A 58 2.176 15.930 -14.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 3.163 16.467 -16.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 1.826 17.472 -16.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 3.401 18.079 -15.837 1.00 0.00 H new TER 921 LYS A 58