USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=11 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 40 GLN : amide:sc= -0.226 K(o=-0.23,f=-0.75) USER MOD Set 1.2: A 43 ASN :FLIP amide:sc= 0 F(o=-1.3,f=-0.23) USER MOD Set 2.1: A 21 ASN :FLIP amide:sc= -1.97 F(o=-7.2!,f=-3.5) USER MOD Set 2.2: A 52 ASN : amide:sc= -1.55 K(o=-3.5,f=-12!) USER MOD Single : A 1 VAL N :NH3+ -161:sc= -0.162 (180deg=-0.84) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 LYS NZ :NH3+ 158:sc= -0.037 (180deg=-0.319) USER MOD Single : A 6 ASN : amide:sc= -0.0178 K(o=-0.018,f=-1.9) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl 169:sc= -10.3! (180deg=-11!) USER MOD Single : A 23 ASN : amide:sc= -0.357 K(o=-0.36,f=-9.6!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN :FLIP amide:sc= -0.291 F(o=-1.2,f=-0.29) USER MOD Single : A 32 ASN : amide:sc= -0.438 K(o=-0.44,f=-8.3!) USER MOD Single : A 33 SER OG : rot 66:sc= 0.927 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 178:sc= -1.24 USER MOD Single : A 49 LYS NZ :NH3+ -144:sc= 0.384 (180deg=0.0264) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -5.49! C(o=-5.5!,f=-5.3!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -0.647 -11.782 15.326 1.00 0.00 N ATOM 2 CA VAL A 1 0.328 -12.902 15.189 1.00 0.00 C ATOM 3 C VAL A 1 -0.279 -13.982 14.294 1.00 0.00 C ATOM 4 O VAL A 1 0.344 -14.413 13.321 1.00 0.00 O ATOM 5 CB VAL A 1 0.650 -13.479 16.580 1.00 0.00 C ATOM 6 CG1 VAL A 1 1.748 -14.547 16.462 1.00 0.00 C ATOM 7 CG2 VAL A 1 1.134 -12.354 17.508 1.00 0.00 C ATOM 0 H1 VAL A 1 -0.150 -10.926 15.646 1.00 0.00 H new ATOM 0 H2 VAL A 1 -1.096 -11.598 14.406 1.00 0.00 H new ATOM 0 H3 VAL A 1 -1.376 -12.039 16.022 1.00 0.00 H new ATOM 0 HA VAL A 1 1.252 -12.539 14.739 1.00 0.00 H new ATOM 0 HB VAL A 1 -0.252 -13.931 16.993 1.00 0.00 H new ATOM 0 HG11 VAL A 1 1.971 -14.951 17.450 1.00 0.00 H new ATOM 0 HG12 VAL A 1 1.405 -15.351 15.810 1.00 0.00 H new ATOM 0 HG13 VAL A 1 2.648 -14.098 16.042 1.00 0.00 H new ATOM 0 HG21 VAL A 1 1.361 -12.766 18.491 1.00 0.00 H new ATOM 0 HG22 VAL A 1 2.031 -11.898 17.090 1.00 0.00 H new ATOM 0 HG23 VAL A 1 0.354 -11.599 17.602 1.00 0.00 H new ATOM 19 N ASP A 2 -1.499 -14.407 14.635 1.00 0.00 N ATOM 20 CA ASP A 2 -2.205 -15.433 13.865 1.00 0.00 C ATOM 21 C ASP A 2 -2.324 -15.020 12.397 1.00 0.00 C ATOM 22 O ASP A 2 -2.210 -15.854 11.496 1.00 0.00 O ATOM 23 CB ASP A 2 -3.603 -15.651 14.456 1.00 0.00 C ATOM 24 CG ASP A 2 -4.317 -16.787 13.721 1.00 0.00 C ATOM 25 OD1 ASP A 2 -4.110 -17.931 14.094 1.00 0.00 O ATOM 26 OD2 ASP A 2 -5.056 -16.496 12.795 1.00 0.00 O ATOM 0 H ASP A 2 -2.018 -14.056 15.440 1.00 0.00 H new ATOM 0 HA ASP A 2 -1.636 -16.361 13.919 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -3.524 -15.888 15.517 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -4.186 -14.734 14.377 1.00 0.00 H new ATOM 31 N ASN A 3 -2.551 -13.727 12.177 1.00 0.00 N ATOM 32 CA ASN A 3 -2.685 -13.190 10.825 1.00 0.00 C ATOM 33 C ASN A 3 -1.345 -12.654 10.334 1.00 0.00 C ATOM 34 O ASN A 3 -0.684 -11.875 11.027 1.00 0.00 O ATOM 35 CB ASN A 3 -3.723 -12.064 10.815 1.00 0.00 C ATOM 36 CG ASN A 3 -5.092 -12.610 11.207 1.00 0.00 C ATOM 37 OD1 ASN A 3 -5.588 -12.322 12.296 1.00 0.00 O ATOM 38 ND2 ASN A 3 -5.737 -13.385 10.380 1.00 0.00 N ATOM 0 H ASN A 3 -2.646 -13.032 12.917 1.00 0.00 H new ATOM 0 HA ASN A 3 -3.011 -13.990 10.161 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -3.424 -11.277 11.508 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -3.773 -11.613 9.824 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -6.653 -13.753 10.635 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -5.325 -13.623 9.478 1.00 0.00 H new ATOM 45 N LYS A 4 -0.956 -13.073 9.130 1.00 0.00 N ATOM 46 CA LYS A 4 0.304 -12.637 8.528 1.00 0.00 C ATOM 47 C LYS A 4 0.127 -11.288 7.842 1.00 0.00 C ATOM 48 O LYS A 4 1.029 -10.801 7.154 1.00 0.00 O ATOM 49 CB LYS A 4 0.803 -13.671 7.512 1.00 0.00 C ATOM 50 CG LYS A 4 0.823 -15.074 8.149 1.00 0.00 C ATOM 51 CD LYS A 4 2.215 -15.704 7.996 1.00 0.00 C ATOM 52 CE LYS A 4 3.166 -15.123 9.049 1.00 0.00 C ATOM 53 NZ LYS A 4 2.822 -15.675 10.391 1.00 0.00 N ATOM 0 H LYS A 4 -1.497 -13.715 8.551 1.00 0.00 H new ATOM 0 HA LYS A 4 1.043 -12.538 9.323 1.00 0.00 H new ATOM 0 HB2 LYS A 4 0.157 -13.671 6.634 1.00 0.00 H new ATOM 0 HB3 LYS A 4 1.803 -13.404 7.171 1.00 0.00 H new ATOM 0 HG2 LYS A 4 0.560 -15.006 9.205 1.00 0.00 H new ATOM 0 HG3 LYS A 4 0.074 -15.708 7.674 1.00 0.00 H new ATOM 0 HD2 LYS A 4 2.149 -16.786 8.110 1.00 0.00 H new ATOM 0 HD3 LYS A 4 2.604 -15.512 6.996 1.00 0.00 H new ATOM 0 HE2 LYS A 4 4.198 -15.368 8.797 1.00 0.00 H new ATOM 0 HE3 LYS A 4 3.091 -14.036 9.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 3.647 -15.598 11.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 2.028 -15.138 10.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 2.551 -16.675 10.296 1.00 0.00 H new ATOM 67 N PHE A 5 -1.055 -10.708 8.025 1.00 0.00 N ATOM 68 CA PHE A 5 -1.394 -9.430 7.418 1.00 0.00 C ATOM 69 C PHE A 5 -0.366 -8.360 7.731 1.00 0.00 C ATOM 70 O PHE A 5 0.156 -7.713 6.834 1.00 0.00 O ATOM 71 CB PHE A 5 -2.696 -8.914 8.019 1.00 0.00 C ATOM 72 CG PHE A 5 -3.918 -9.561 7.418 1.00 0.00 C ATOM 73 CD1 PHE A 5 -3.984 -10.949 7.234 1.00 0.00 C ATOM 74 CD2 PHE A 5 -5.010 -8.753 7.072 1.00 0.00 C ATOM 75 CE1 PHE A 5 -5.145 -11.521 6.699 1.00 0.00 C ATOM 76 CE2 PHE A 5 -6.163 -9.324 6.537 1.00 0.00 C ATOM 77 CZ PHE A 5 -6.234 -10.705 6.350 1.00 0.00 C ATOM 0 H PHE A 5 -1.799 -11.109 8.595 1.00 0.00 H new ATOM 0 HA PHE A 5 -1.454 -9.605 6.344 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -2.689 -9.092 9.094 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -2.754 -7.835 7.874 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -3.145 -11.573 7.503 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -4.958 -7.685 7.221 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -5.203 -12.590 6.555 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -7.001 -8.698 6.267 1.00 0.00 H new ATOM 0 HZ PHE A 5 -7.128 -11.147 5.936 1.00 0.00 H new ATOM 87 N ASN A 6 -0.135 -8.152 9.025 1.00 0.00 N ATOM 88 CA ASN A 6 0.769 -7.108 9.482 1.00 0.00 C ATOM 89 C ASN A 6 2.149 -7.217 8.864 1.00 0.00 C ATOM 90 O ASN A 6 2.681 -6.223 8.395 1.00 0.00 O ATOM 91 CB ASN A 6 0.905 -7.173 10.999 1.00 0.00 C ATOM 92 CG ASN A 6 -0.453 -6.960 11.666 1.00 0.00 C ATOM 93 OD1 ASN A 6 -1.225 -6.094 11.251 1.00 0.00 O ATOM 94 ND2 ASN A 6 -0.794 -7.706 12.680 1.00 0.00 N ATOM 0 H ASN A 6 -0.564 -8.695 9.774 1.00 0.00 H new ATOM 0 HA ASN A 6 0.337 -6.157 9.170 1.00 0.00 H new ATOM 0 HB2 ASN A 6 1.314 -8.140 11.293 1.00 0.00 H new ATOM 0 HB3 ASN A 6 1.608 -6.413 11.340 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -1.700 -7.573 13.130 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -0.155 -8.423 13.023 1.00 0.00 H new ATOM 101 N LYS A 7 2.720 -8.418 8.853 1.00 0.00 N ATOM 102 CA LYS A 7 4.046 -8.607 8.285 1.00 0.00 C ATOM 103 C LYS A 7 4.062 -8.209 6.818 1.00 0.00 C ATOM 104 O LYS A 7 4.995 -7.551 6.361 1.00 0.00 O ATOM 105 CB LYS A 7 4.481 -10.063 8.461 1.00 0.00 C ATOM 106 CG LYS A 7 5.896 -10.285 7.892 1.00 0.00 C ATOM 107 CD LYS A 7 6.948 -9.596 8.782 1.00 0.00 C ATOM 108 CE LYS A 7 7.380 -8.264 8.154 1.00 0.00 C ATOM 109 NZ LYS A 7 8.637 -7.794 8.804 1.00 0.00 N ATOM 0 H LYS A 7 2.290 -9.264 9.227 1.00 0.00 H new ATOM 0 HA LYS A 7 4.752 -7.965 8.812 1.00 0.00 H new ATOM 0 HB2 LYS A 7 4.464 -10.327 9.518 1.00 0.00 H new ATOM 0 HB3 LYS A 7 3.774 -10.722 7.957 1.00 0.00 H new ATOM 0 HG2 LYS A 7 6.106 -11.353 7.830 1.00 0.00 H new ATOM 0 HG3 LYS A 7 5.953 -9.889 6.878 1.00 0.00 H new ATOM 0 HD2 LYS A 7 6.536 -9.422 9.776 1.00 0.00 H new ATOM 0 HD3 LYS A 7 7.814 -10.247 8.905 1.00 0.00 H new ATOM 0 HE2 LYS A 7 7.536 -8.388 7.082 1.00 0.00 H new ATOM 0 HE3 LYS A 7 6.594 -7.519 8.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 8.931 -6.891 8.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 8.472 -7.660 9.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 9.386 -8.502 8.665 1.00 0.00 H new ATOM 123 N GLU A 8 3.009 -8.577 6.097 1.00 0.00 N ATOM 124 CA GLU A 8 2.903 -8.225 4.690 1.00 0.00 C ATOM 125 C GLU A 8 2.604 -6.736 4.564 1.00 0.00 C ATOM 126 O GLU A 8 3.097 -6.056 3.664 1.00 0.00 O ATOM 127 CB GLU A 8 1.785 -9.058 4.060 1.00 0.00 C ATOM 128 CG GLU A 8 1.711 -8.789 2.551 1.00 0.00 C ATOM 129 CD GLU A 8 2.981 -9.252 1.824 1.00 0.00 C ATOM 130 OE1 GLU A 8 3.577 -10.232 2.247 1.00 0.00 O ATOM 131 OE2 GLU A 8 3.330 -8.623 0.838 1.00 0.00 O ATOM 0 H GLU A 8 2.223 -9.115 6.462 1.00 0.00 H new ATOM 0 HA GLU A 8 3.839 -8.434 4.172 1.00 0.00 H new ATOM 0 HB2 GLU A 8 1.966 -10.118 4.240 1.00 0.00 H new ATOM 0 HB3 GLU A 8 0.831 -8.813 4.528 1.00 0.00 H new ATOM 0 HG2 GLU A 8 0.846 -9.303 2.133 1.00 0.00 H new ATOM 0 HG3 GLU A 8 1.563 -7.723 2.379 1.00 0.00 H new ATOM 138 N ARG A 9 1.797 -6.256 5.501 1.00 0.00 N ATOM 139 CA ARG A 9 1.397 -4.870 5.569 1.00 0.00 C ATOM 140 C ARG A 9 2.563 -3.966 5.920 1.00 0.00 C ATOM 141 O ARG A 9 2.596 -2.845 5.470 1.00 0.00 O ATOM 142 CB ARG A 9 0.255 -4.690 6.574 1.00 0.00 C ATOM 143 CG ARG A 9 -1.050 -5.199 5.945 1.00 0.00 C ATOM 144 CD ARG A 9 -2.142 -5.359 7.006 1.00 0.00 C ATOM 145 NE ARG A 9 -2.694 -4.055 7.374 1.00 0.00 N ATOM 146 CZ ARG A 9 -2.065 -3.249 8.222 1.00 0.00 C ATOM 147 NH1 ARG A 9 -1.791 -3.654 9.430 1.00 0.00 N ATOM 148 NH2 ARG A 9 -1.718 -2.052 7.842 1.00 0.00 N ATOM 0 H ARG A 9 1.400 -6.833 6.243 1.00 0.00 H new ATOM 0 HA ARG A 9 1.043 -4.580 4.580 1.00 0.00 H new ATOM 0 HB2 ARG A 9 0.470 -5.239 7.491 1.00 0.00 H new ATOM 0 HB3 ARG A 9 0.156 -3.639 6.847 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -1.384 -4.502 5.176 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -0.872 -6.155 5.453 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -2.936 -6.002 6.625 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -1.731 -5.849 7.889 1.00 0.00 H new ATOM 0 HE ARG A 9 -3.582 -3.758 6.970 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -2.060 -4.592 9.727 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -1.308 -3.033 10.079 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -1.929 -1.736 6.896 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -1.235 -1.431 8.491 1.00 0.00 H new ATOM 162 N VAL A 10 3.511 -4.446 6.733 1.00 0.00 N ATOM 163 CA VAL A 10 4.660 -3.615 7.114 1.00 0.00 C ATOM 164 C VAL A 10 5.450 -3.307 5.873 1.00 0.00 C ATOM 165 O VAL A 10 5.828 -2.169 5.589 1.00 0.00 O ATOM 166 CB VAL A 10 5.640 -4.322 8.065 1.00 0.00 C ATOM 167 CG1 VAL A 10 6.699 -3.303 8.532 1.00 0.00 C ATOM 168 CG2 VAL A 10 4.922 -4.930 9.274 1.00 0.00 C ATOM 0 H VAL A 10 3.508 -5.384 7.133 1.00 0.00 H new ATOM 0 HA VAL A 10 4.253 -2.736 7.614 1.00 0.00 H new ATOM 0 HB VAL A 10 6.115 -5.143 7.528 1.00 0.00 H new ATOM 0 HG11 VAL A 10 7.401 -3.792 9.208 1.00 0.00 H new ATOM 0 HG12 VAL A 10 7.238 -2.916 7.667 1.00 0.00 H new ATOM 0 HG13 VAL A 10 6.208 -2.480 9.052 1.00 0.00 H new ATOM 0 HG21 VAL A 10 5.650 -5.420 9.921 1.00 0.00 H new ATOM 0 HG22 VAL A 10 4.415 -4.142 9.830 1.00 0.00 H new ATOM 0 HG23 VAL A 10 4.190 -5.662 8.932 1.00 0.00 H new ATOM 178 N ILE A 11 5.704 -4.375 5.157 1.00 0.00 N ATOM 179 CA ILE A 11 6.451 -4.315 3.940 1.00 0.00 C ATOM 180 C ILE A 11 5.722 -3.427 2.954 1.00 0.00 C ATOM 181 O ILE A 11 6.305 -2.544 2.334 1.00 0.00 O ATOM 182 CB ILE A 11 6.559 -5.733 3.382 1.00 0.00 C ATOM 183 CG1 ILE A 11 7.254 -6.646 4.410 1.00 0.00 C ATOM 184 CG2 ILE A 11 7.346 -5.720 2.072 1.00 0.00 C ATOM 185 CD1 ILE A 11 7.054 -8.110 4.006 1.00 0.00 C ATOM 0 H ILE A 11 5.393 -5.313 5.410 1.00 0.00 H new ATOM 0 HA ILE A 11 7.446 -3.906 4.116 1.00 0.00 H new ATOM 0 HB ILE A 11 5.558 -6.118 3.186 1.00 0.00 H new ATOM 0 HG12 ILE A 11 8.318 -6.413 4.460 1.00 0.00 H new ATOM 0 HG13 ILE A 11 6.843 -6.472 5.404 1.00 0.00 H new ATOM 0 HG21 ILE A 11 7.418 -6.735 1.681 1.00 0.00 H new ATOM 0 HG22 ILE A 11 6.835 -5.087 1.347 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.347 -5.329 2.253 1.00 0.00 H new ATOM 0 HD11 ILE A 11 7.545 -8.758 4.732 1.00 0.00 H new ATOM 0 HD12 ILE A 11 5.988 -8.338 3.979 1.00 0.00 H new ATOM 0 HD13 ILE A 11 7.486 -8.278 3.019 1.00 0.00 H new ATOM 197 N ALA A 12 4.434 -3.702 2.826 1.00 0.00 N ATOM 198 CA ALA A 12 3.576 -2.981 1.911 1.00 0.00 C ATOM 199 C ALA A 12 3.309 -1.551 2.337 1.00 0.00 C ATOM 200 O ALA A 12 3.491 -0.646 1.546 1.00 0.00 O ATOM 201 CB ALA A 12 2.267 -3.730 1.847 1.00 0.00 C ATOM 0 H ALA A 12 3.958 -4.432 3.355 1.00 0.00 H new ATOM 0 HA ALA A 12 4.076 -2.924 0.944 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.588 -3.218 1.165 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.445 -4.744 1.489 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.821 -3.770 2.841 1.00 0.00 H new ATOM 207 N ILE A 13 2.918 -1.333 3.589 1.00 0.00 N ATOM 208 CA ILE A 13 2.659 0.014 4.054 1.00 0.00 C ATOM 209 C ILE A 13 3.926 0.824 3.899 1.00 0.00 C ATOM 210 O ILE A 13 3.896 1.983 3.517 1.00 0.00 O ATOM 211 CB ILE A 13 2.205 0.006 5.527 1.00 0.00 C ATOM 212 CG1 ILE A 13 1.668 1.405 5.888 1.00 0.00 C ATOM 213 CG2 ILE A 13 3.384 -0.378 6.445 1.00 0.00 C ATOM 214 CD1 ILE A 13 2.107 1.814 7.293 1.00 0.00 C ATOM 0 H ILE A 13 2.777 -2.064 4.286 1.00 0.00 H new ATOM 0 HA ILE A 13 1.857 0.457 3.463 1.00 0.00 H new ATOM 0 HB ILE A 13 1.415 -0.732 5.668 1.00 0.00 H new ATOM 0 HG12 ILE A 13 2.029 2.135 5.163 1.00 0.00 H new ATOM 0 HG13 ILE A 13 0.580 1.407 5.828 1.00 0.00 H new ATOM 0 HG21 ILE A 13 3.051 -0.380 7.483 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.745 -1.371 6.177 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.190 0.346 6.324 1.00 0.00 H new ATOM 0 HD11 ILE A 13 1.715 2.805 7.523 1.00 0.00 H new ATOM 0 HD12 ILE A 13 1.724 1.095 8.017 1.00 0.00 H new ATOM 0 HD13 ILE A 13 3.196 1.834 7.343 1.00 0.00 H new ATOM 226 N GLY A 14 5.040 0.167 4.162 1.00 0.00 N ATOM 227 CA GLY A 14 6.329 0.781 4.033 1.00 0.00 C ATOM 228 C GLY A 14 6.557 1.141 2.567 1.00 0.00 C ATOM 229 O GLY A 14 7.104 2.201 2.260 1.00 0.00 O ATOM 0 H GLY A 14 5.067 -0.805 4.470 1.00 0.00 H new ATOM 0 HA2 GLY A 14 6.385 1.675 4.654 1.00 0.00 H new ATOM 0 HA3 GLY A 14 7.107 0.102 4.380 1.00 0.00 H new ATOM 233 N GLU A 15 6.102 0.254 1.660 1.00 0.00 N ATOM 234 CA GLU A 15 6.234 0.496 0.225 1.00 0.00 C ATOM 235 C GLU A 15 5.283 1.600 -0.233 1.00 0.00 C ATOM 236 O GLU A 15 5.642 2.466 -1.030 1.00 0.00 O ATOM 237 CB GLU A 15 5.847 -0.765 -0.558 1.00 0.00 C ATOM 238 CG GLU A 15 6.832 -1.912 -0.308 1.00 0.00 C ATOM 239 CD GLU A 15 7.666 -2.174 -1.564 1.00 0.00 C ATOM 240 OE1 GLU A 15 7.117 -2.693 -2.524 1.00 0.00 O ATOM 241 OE2 GLU A 15 8.841 -1.846 -1.550 1.00 0.00 O ATOM 0 H GLU A 15 5.645 -0.626 1.901 1.00 0.00 H new ATOM 0 HA GLU A 15 7.270 0.780 0.041 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.843 -1.078 -0.271 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.817 -0.537 -1.623 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.487 -1.663 0.527 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.288 -2.814 -0.029 1.00 0.00 H new ATOM 248 N ILE A 16 4.051 1.504 0.256 1.00 0.00 N ATOM 249 CA ILE A 16 2.981 2.420 -0.099 1.00 0.00 C ATOM 250 C ILE A 16 3.239 3.825 0.453 1.00 0.00 C ATOM 251 O ILE A 16 3.065 4.829 -0.238 1.00 0.00 O ATOM 252 CB ILE A 16 1.661 1.883 0.471 1.00 0.00 C ATOM 253 CG1 ILE A 16 1.528 0.376 0.097 1.00 0.00 C ATOM 254 CG2 ILE A 16 0.480 2.733 -0.019 1.00 0.00 C ATOM 255 CD1 ILE A 16 0.383 0.033 -0.852 1.00 0.00 C ATOM 0 H ILE A 16 3.768 0.780 0.916 1.00 0.00 H new ATOM 0 HA ILE A 16 2.931 2.490 -1.186 1.00 0.00 H new ATOM 0 HB ILE A 16 1.655 1.957 1.558 1.00 0.00 H new ATOM 0 HG12 ILE A 16 2.463 0.048 -0.357 1.00 0.00 H new ATOM 0 HG13 ILE A 16 1.401 -0.198 1.015 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -0.448 2.339 0.394 1.00 0.00 H new ATOM 0 HG22 ILE A 16 0.614 3.764 0.308 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.435 2.700 -1.108 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.381 -1.039 -1.047 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -0.565 0.321 -0.398 1.00 0.00 H new ATOM 0 HD13 ILE A 16 0.514 0.572 -1.790 1.00 0.00 H new ATOM 267 N MET A 17 3.629 3.867 1.719 1.00 0.00 N ATOM 268 CA MET A 17 3.900 5.120 2.420 1.00 0.00 C ATOM 269 C MET A 17 5.144 5.826 1.858 1.00 0.00 C ATOM 270 O MET A 17 5.290 7.042 2.002 1.00 0.00 O ATOM 271 CB MET A 17 4.075 4.830 3.920 1.00 0.00 C ATOM 272 CG MET A 17 2.732 4.379 4.527 1.00 0.00 C ATOM 273 SD MET A 17 1.550 5.746 4.591 1.00 0.00 S ATOM 274 CE MET A 17 0.040 4.730 4.586 1.00 0.00 C ATOM 0 H MET A 17 3.767 3.035 2.292 1.00 0.00 H new ATOM 0 HA MET A 17 3.055 5.792 2.271 1.00 0.00 H new ATOM 0 HB2 MET A 17 4.828 4.055 4.064 1.00 0.00 H new ATOM 0 HB3 MET A 17 4.434 5.722 4.432 1.00 0.00 H new ATOM 0 HG2 MET A 17 2.317 3.564 3.934 1.00 0.00 H new ATOM 0 HG3 MET A 17 2.897 3.990 5.532 1.00 0.00 H new ATOM 0 HE1 MET A 17 -0.821 5.357 4.817 1.00 0.00 H new ATOM 0 HE2 MET A 17 -0.092 4.280 3.602 1.00 0.00 H new ATOM 0 HE3 MET A 17 0.128 3.944 5.336 1.00 0.00 H new ATOM 284 N ARG A 18 6.030 5.056 1.215 1.00 0.00 N ATOM 285 CA ARG A 18 7.254 5.599 0.628 1.00 0.00 C ATOM 286 C ARG A 18 6.924 6.542 -0.525 1.00 0.00 C ATOM 287 O ARG A 18 7.647 7.503 -0.794 1.00 0.00 O ATOM 288 CB ARG A 18 8.099 4.426 0.118 1.00 0.00 C ATOM 289 CG ARG A 18 9.402 4.920 -0.520 1.00 0.00 C ATOM 290 CD ARG A 18 10.091 3.742 -1.207 1.00 0.00 C ATOM 291 NE ARG A 18 10.525 2.752 -0.219 1.00 0.00 N ATOM 292 CZ ARG A 18 9.908 1.581 -0.091 1.00 0.00 C ATOM 293 NH1 ARG A 18 9.757 0.804 -1.126 1.00 0.00 N ATOM 294 NH2 ARG A 18 9.454 1.208 1.070 1.00 0.00 N ATOM 0 H ARG A 18 5.918 4.050 1.089 1.00 0.00 H new ATOM 0 HA ARG A 18 7.803 6.166 1.379 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.328 3.752 0.944 1.00 0.00 H new ATOM 0 HB3 ARG A 18 7.528 3.853 -0.612 1.00 0.00 H new ATOM 0 HG2 ARG A 18 9.193 5.709 -1.243 1.00 0.00 H new ATOM 0 HG3 ARG A 18 10.055 5.349 0.240 1.00 0.00 H new ATOM 0 HD2 ARG A 18 9.408 3.278 -1.918 1.00 0.00 H new ATOM 0 HD3 ARG A 18 10.950 4.097 -1.776 1.00 0.00 H new ATOM 0 HE ARG A 18 11.319 2.966 0.385 1.00 0.00 H new ATOM 0 HH11 ARG A 18 10.112 1.093 -2.037 1.00 0.00 H new ATOM 0 HH12 ARG A 18 9.283 -0.094 -1.025 1.00 0.00 H new ATOM 0 HH21 ARG A 18 9.571 1.814 1.882 1.00 0.00 H new ATOM 0 HH22 ARG A 18 8.981 0.310 1.168 1.00 0.00 H new ATOM 308 N LEU A 19 5.836 6.216 -1.210 1.00 0.00 N ATOM 309 CA LEU A 19 5.371 6.962 -2.371 1.00 0.00 C ATOM 310 C LEU A 19 5.256 8.469 -2.094 1.00 0.00 C ATOM 311 O LEU A 19 4.390 8.903 -1.330 1.00 0.00 O ATOM 312 CB LEU A 19 4.029 6.372 -2.798 1.00 0.00 C ATOM 313 CG LEU A 19 4.185 4.843 -2.918 1.00 0.00 C ATOM 314 CD1 LEU A 19 2.852 4.178 -3.239 1.00 0.00 C ATOM 315 CD2 LEU A 19 5.215 4.524 -4.003 1.00 0.00 C ATOM 0 H LEU A 19 5.246 5.419 -0.973 1.00 0.00 H new ATOM 0 HA LEU A 19 6.101 6.867 -3.174 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.257 6.618 -2.069 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.714 6.797 -3.751 1.00 0.00 H new ATOM 0 HG LEU A 19 4.529 4.449 -1.962 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.993 3.100 -3.318 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.137 4.394 -2.445 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.471 4.564 -4.184 1.00 0.00 H new ATOM 0 HD21 LEU A 19 5.328 3.443 -4.091 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.878 4.932 -4.956 1.00 0.00 H new ATOM 0 HD23 LEU A 19 6.174 4.969 -3.736 1.00 0.00 H new ATOM 327 N PRO A 20 6.132 9.265 -2.689 1.00 0.00 N ATOM 328 CA PRO A 20 6.155 10.749 -2.495 1.00 0.00 C ATOM 329 C PRO A 20 5.058 11.489 -3.264 1.00 0.00 C ATOM 330 O PRO A 20 4.841 12.680 -3.029 1.00 0.00 O ATOM 331 CB PRO A 20 7.517 11.196 -3.058 1.00 0.00 C ATOM 332 CG PRO A 20 8.206 9.980 -3.595 1.00 0.00 C ATOM 333 CD PRO A 20 7.199 8.835 -3.609 1.00 0.00 C ATOM 0 HA PRO A 20 5.994 10.979 -1.442 1.00 0.00 H new ATOM 0 HB2 PRO A 20 7.381 11.938 -3.845 1.00 0.00 H new ATOM 0 HB3 PRO A 20 8.118 11.664 -2.279 1.00 0.00 H new ATOM 0 HG2 PRO A 20 8.583 10.168 -4.600 1.00 0.00 H new ATOM 0 HG3 PRO A 20 9.065 9.724 -2.975 1.00 0.00 H new ATOM 0 HD2 PRO A 20 6.811 8.661 -4.613 1.00 0.00 H new ATOM 0 HD3 PRO A 20 7.655 7.902 -3.278 1.00 0.00 H new ATOM 341 N ASN A 21 4.410 10.812 -4.215 1.00 0.00 N ATOM 342 CA ASN A 21 3.394 11.478 -5.039 1.00 0.00 C ATOM 343 C ASN A 21 2.008 11.399 -4.425 1.00 0.00 C ATOM 344 O ASN A 21 1.404 12.426 -4.110 1.00 0.00 O ATOM 345 CB ASN A 21 3.396 10.867 -6.450 1.00 0.00 C ATOM 346 CG ASN A 21 4.770 11.080 -7.085 1.00 0.00 C ATOM 347 OD1 ASN A 21 5.245 10.193 -7.901 1.00 0.00 O flip ATOM 348 ND2 ASN A 21 5.430 12.088 -6.831 1.00 0.00 N flip ATOM 0 H ASN A 21 4.564 9.827 -4.432 1.00 0.00 H new ATOM 0 HA ASN A 21 3.651 12.536 -5.095 1.00 0.00 H new ATOM 0 HB2 ASN A 21 3.166 9.803 -6.399 1.00 0.00 H new ATOM 0 HB3 ASN A 21 2.623 11.331 -7.062 1.00 0.00 H new ATOM 0 HD21 ASN A 21 5.062 12.790 -6.189 1.00 0.00 H new ATOM 0 HD22 ASN A 21 6.345 12.221 -7.262 1.00 0.00 H new ATOM 355 N LEU A 22 1.511 10.180 -4.284 1.00 0.00 N ATOM 356 CA LEU A 22 0.175 9.927 -3.742 1.00 0.00 C ATOM 357 C LEU A 22 -0.184 10.813 -2.569 1.00 0.00 C ATOM 358 O LEU A 22 0.676 11.233 -1.789 1.00 0.00 O ATOM 359 CB LEU A 22 0.097 8.488 -3.266 1.00 0.00 C ATOM 360 CG LEU A 22 0.226 7.558 -4.456 1.00 0.00 C ATOM 361 CD1 LEU A 22 0.791 6.231 -3.983 1.00 0.00 C ATOM 362 CD2 LEU A 22 -1.148 7.345 -5.074 1.00 0.00 C ATOM 0 H LEU A 22 2.019 9.334 -4.541 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.526 10.140 -4.549 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.890 8.288 -2.546 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.849 8.313 -2.754 1.00 0.00 H new ATOM 0 HG LEU A 22 0.892 7.991 -5.202 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.888 5.554 -4.832 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.771 6.392 -3.533 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.120 5.793 -3.244 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.062 6.677 -5.931 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.815 6.902 -4.334 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.553 8.303 -5.400 1.00 0.00 H new ATOM 374 N ASN A 23 -1.485 11.024 -2.421 1.00 0.00 N ATOM 375 CA ASN A 23 -2.009 11.789 -1.310 1.00 0.00 C ATOM 376 C ASN A 23 -2.238 10.812 -0.180 1.00 0.00 C ATOM 377 O ASN A 23 -2.329 9.605 -0.421 1.00 0.00 O ATOM 378 CB ASN A 23 -3.316 12.487 -1.708 1.00 0.00 C ATOM 379 CG ASN A 23 -4.200 11.534 -2.507 1.00 0.00 C ATOM 380 OD1 ASN A 23 -4.897 10.709 -1.929 1.00 0.00 O ATOM 381 ND2 ASN A 23 -4.198 11.591 -3.810 1.00 0.00 N ATOM 0 H ASN A 23 -2.196 10.672 -3.063 1.00 0.00 H new ATOM 0 HA ASN A 23 -1.313 12.571 -1.007 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -3.844 12.822 -0.815 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -3.097 13.375 -2.301 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -4.777 10.948 -4.350 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -3.617 12.279 -4.290 1.00 0.00 H new ATOM 388 N SER A 24 -2.305 11.308 1.040 1.00 0.00 N ATOM 389 CA SER A 24 -2.490 10.425 2.176 1.00 0.00 C ATOM 390 C SER A 24 -3.668 9.491 1.972 1.00 0.00 C ATOM 391 O SER A 24 -3.620 8.356 2.388 1.00 0.00 O ATOM 392 CB SER A 24 -2.706 11.211 3.453 1.00 0.00 C ATOM 393 OG SER A 24 -3.806 12.097 3.292 1.00 0.00 O ATOM 0 H SER A 24 -2.236 12.300 1.269 1.00 0.00 H new ATOM 0 HA SER A 24 -1.578 9.835 2.262 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.894 10.530 4.283 1.00 0.00 H new ATOM 0 HB3 SER A 24 -1.806 11.774 3.701 1.00 0.00 H new ATOM 0 HG SER A 24 -3.943 12.602 4.121 1.00 0.00 H new ATOM 399 N LEU A 25 -4.719 9.971 1.330 1.00 0.00 N ATOM 400 CA LEU A 25 -5.892 9.141 1.107 1.00 0.00 C ATOM 401 C LEU A 25 -5.550 7.964 0.246 1.00 0.00 C ATOM 402 O LEU A 25 -5.886 6.852 0.594 1.00 0.00 O ATOM 403 CB LEU A 25 -6.983 9.933 0.417 1.00 0.00 C ATOM 404 CG LEU A 25 -7.297 11.226 1.179 1.00 0.00 C ATOM 405 CD1 LEU A 25 -6.294 12.335 0.825 1.00 0.00 C ATOM 406 CD2 LEU A 25 -8.687 11.679 0.766 1.00 0.00 C ATOM 0 H LEU A 25 -4.786 10.918 0.958 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.241 8.799 2.081 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -6.673 10.173 -0.600 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -7.884 9.325 0.341 1.00 0.00 H new ATOM 0 HG LEU A 25 -7.235 11.037 2.251 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.541 13.240 1.380 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.287 12.012 1.088 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -6.342 12.541 -0.244 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -8.941 12.599 1.292 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -8.707 11.858 -0.309 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -9.412 10.905 1.018 1.00 0.00 H new ATOM 418 N GLN A 26 -4.862 8.212 -0.862 1.00 0.00 N ATOM 419 CA GLN A 26 -4.459 7.134 -1.738 1.00 0.00 C ATOM 420 C GLN A 26 -3.497 6.244 -1.009 1.00 0.00 C ATOM 421 O GLN A 26 -3.614 5.028 -1.024 1.00 0.00 O ATOM 422 CB GLN A 26 -3.777 7.675 -2.969 1.00 0.00 C ATOM 423 CG GLN A 26 -4.825 8.232 -3.925 1.00 0.00 C ATOM 424 CD GLN A 26 -5.614 7.091 -4.566 1.00 0.00 C ATOM 425 OE1 GLN A 26 -5.016 6.281 -5.394 1.00 0.00 O flip ATOM 426 NE2 GLN A 26 -6.805 6.932 -4.302 1.00 0.00 N flip ATOM 0 H GLN A 26 -4.577 9.142 -1.168 1.00 0.00 H new ATOM 0 HA GLN A 26 -5.347 6.578 -2.038 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -3.069 8.456 -2.692 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -3.206 6.886 -3.458 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -5.503 8.895 -3.387 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -4.342 8.829 -4.698 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -7.273 7.566 -3.654 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -7.325 6.166 -4.731 1.00 0.00 H new ATOM 435 N VAL A 27 -2.573 6.894 -0.330 1.00 0.00 N ATOM 436 CA VAL A 27 -1.574 6.216 0.454 1.00 0.00 C ATOM 437 C VAL A 27 -2.282 5.327 1.462 1.00 0.00 C ATOM 438 O VAL A 27 -1.931 4.163 1.653 1.00 0.00 O ATOM 439 CB VAL A 27 -0.750 7.310 1.163 1.00 0.00 C ATOM 440 CG1 VAL A 27 0.093 6.748 2.300 1.00 0.00 C ATOM 441 CG2 VAL A 27 0.168 8.007 0.151 1.00 0.00 C ATOM 0 H VAL A 27 -2.498 7.911 -0.310 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.918 5.592 -0.153 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.456 8.023 1.589 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.656 7.555 2.769 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.558 6.282 3.040 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.786 6.004 1.906 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.748 8.779 0.657 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.845 7.275 -0.290 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.435 8.463 -0.634 1.00 0.00 H new ATOM 451 N VAL A 28 -3.308 5.895 2.064 1.00 0.00 N ATOM 452 CA VAL A 28 -4.135 5.186 3.027 1.00 0.00 C ATOM 453 C VAL A 28 -5.042 4.178 2.346 1.00 0.00 C ATOM 454 O VAL A 28 -5.331 3.110 2.883 1.00 0.00 O ATOM 455 CB VAL A 28 -4.899 6.151 3.910 1.00 0.00 C ATOM 456 CG1 VAL A 28 -5.675 5.344 4.952 1.00 0.00 C ATOM 457 CG2 VAL A 28 -3.870 7.030 4.623 1.00 0.00 C ATOM 0 H VAL A 28 -3.594 6.860 1.901 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.475 4.616 3.681 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.590 6.760 3.327 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.232 6.023 5.597 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -6.369 4.671 4.448 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -4.978 4.761 5.554 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.384 7.740 5.270 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.210 6.404 5.223 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.281 7.573 3.884 1.00 0.00 H new ATOM 467 N ALA A 29 -5.489 4.553 1.158 1.00 0.00 N ATOM 468 CA ALA A 29 -6.370 3.733 0.352 1.00 0.00 C ATOM 469 C ALA A 29 -5.737 2.392 0.187 1.00 0.00 C ATOM 470 O ALA A 29 -6.390 1.349 0.197 1.00 0.00 O ATOM 471 CB ALA A 29 -6.482 4.363 -1.024 1.00 0.00 C ATOM 0 H ALA A 29 -5.246 5.444 0.725 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.349 3.649 0.823 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -7.142 3.760 -1.648 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -6.890 5.370 -0.931 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.495 4.413 -1.483 1.00 0.00 H new ATOM 477 N PHE A 30 -4.434 2.454 0.056 1.00 0.00 N ATOM 478 CA PHE A 30 -3.647 1.297 -0.082 1.00 0.00 C ATOM 479 C PHE A 30 -3.566 0.575 1.219 1.00 0.00 C ATOM 480 O PHE A 30 -3.676 -0.644 1.230 1.00 0.00 O ATOM 481 CB PHE A 30 -2.284 1.708 -0.518 1.00 0.00 C ATOM 482 CG PHE A 30 -2.301 1.873 -1.995 1.00 0.00 C ATOM 483 CD1 PHE A 30 -2.497 0.768 -2.814 1.00 0.00 C ATOM 484 CD2 PHE A 30 -2.190 3.139 -2.535 1.00 0.00 C ATOM 485 CE1 PHE A 30 -2.559 0.937 -4.189 1.00 0.00 C ATOM 486 CE2 PHE A 30 -2.268 3.322 -3.893 1.00 0.00 C ATOM 487 CZ PHE A 30 -2.447 2.217 -4.740 1.00 0.00 C ATOM 0 H PHE A 30 -3.905 3.326 0.045 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.093 0.629 -0.819 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -1.995 2.641 -0.034 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.549 0.957 -0.227 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -2.600 -0.217 -2.382 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -2.041 3.989 -1.886 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -2.694 0.081 -4.833 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.192 4.315 -4.310 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.498 2.355 -5.810 1.00 0.00 H new ATOM 497 N ILE A 31 -3.411 1.326 2.326 1.00 0.00 N ATOM 498 CA ILE A 31 -3.354 0.659 3.624 1.00 0.00 C ATOM 499 C ILE A 31 -4.624 -0.160 3.747 1.00 0.00 C ATOM 500 O ILE A 31 -4.631 -1.283 4.259 1.00 0.00 O ATOM 501 CB ILE A 31 -3.353 1.633 4.811 1.00 0.00 C ATOM 502 CG1 ILE A 31 -2.191 2.615 4.741 1.00 0.00 C ATOM 503 CG2 ILE A 31 -3.231 0.835 6.121 1.00 0.00 C ATOM 504 CD1 ILE A 31 -2.381 3.657 5.853 1.00 0.00 C ATOM 0 H ILE A 31 -3.327 2.342 2.345 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.432 0.079 3.660 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.286 2.196 4.775 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.243 2.092 4.867 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.161 3.100 3.765 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -3.230 1.522 6.967 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -4.075 0.151 6.210 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.302 0.266 6.115 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -1.560 4.373 5.824 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.325 4.181 5.703 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -2.393 3.157 6.822 1.00 0.00 H new ATOM 516 N ASN A 32 -5.701 0.446 3.248 1.00 0.00 N ATOM 517 CA ASN A 32 -7.012 -0.170 3.263 1.00 0.00 C ATOM 518 C ASN A 32 -7.066 -1.391 2.354 1.00 0.00 C ATOM 519 O ASN A 32 -7.698 -2.390 2.692 1.00 0.00 O ATOM 520 CB ASN A 32 -8.042 0.872 2.827 1.00 0.00 C ATOM 521 CG ASN A 32 -8.480 1.716 4.020 1.00 0.00 C ATOM 522 OD1 ASN A 32 -9.152 1.221 4.923 1.00 0.00 O ATOM 523 ND2 ASN A 32 -8.133 2.971 4.078 1.00 0.00 N ATOM 0 H ASN A 32 -5.682 1.374 2.825 1.00 0.00 H new ATOM 0 HA ASN A 32 -7.234 -0.515 4.273 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -7.616 1.514 2.056 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -8.907 0.376 2.387 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -8.419 3.543 4.873 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -7.576 3.381 3.329 1.00 0.00 H new ATOM 530 N SER A 33 -6.402 -1.318 1.205 1.00 0.00 N ATOM 531 CA SER A 33 -6.390 -2.434 0.281 1.00 0.00 C ATOM 532 C SER A 33 -5.636 -3.622 0.881 1.00 0.00 C ATOM 533 O SER A 33 -5.994 -4.776 0.641 1.00 0.00 O ATOM 534 CB SER A 33 -5.744 -2.006 -1.028 1.00 0.00 C ATOM 535 OG SER A 33 -6.365 -0.816 -1.498 1.00 0.00 O ATOM 0 H SER A 33 -5.871 -0.503 0.898 1.00 0.00 H new ATOM 0 HA SER A 33 -7.417 -2.745 0.090 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.677 -1.838 -0.881 1.00 0.00 H new ATOM 0 HB3 SER A 33 -5.843 -2.798 -1.770 1.00 0.00 H new ATOM 0 HG SER A 33 -6.173 -0.081 -0.879 1.00 0.00 H new ATOM 541 N LEU A 34 -4.578 -3.327 1.650 1.00 0.00 N ATOM 542 CA LEU A 34 -3.765 -4.401 2.267 1.00 0.00 C ATOM 543 C LEU A 34 -4.627 -5.292 3.158 1.00 0.00 C ATOM 544 O LEU A 34 -4.549 -6.515 3.088 1.00 0.00 O ATOM 545 CB LEU A 34 -2.633 -3.859 3.170 1.00 0.00 C ATOM 546 CG LEU A 34 -1.965 -2.602 2.606 1.00 0.00 C ATOM 547 CD1 LEU A 34 -0.725 -2.256 3.434 1.00 0.00 C ATOM 548 CD2 LEU A 34 -1.542 -2.815 1.158 1.00 0.00 C ATOM 0 H LEU A 34 -4.265 -2.379 1.860 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.339 -4.951 1.428 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.039 -3.636 4.157 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.879 -4.635 3.303 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.688 -1.787 2.652 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.254 -1.361 3.028 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.017 -2.075 4.468 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.019 -3.086 3.396 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.070 -1.908 0.780 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.834 -3.642 1.104 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.419 -3.047 0.553 1.00 0.00 H new ATOM 560 N ARG A 35 -5.441 -4.664 4.002 1.00 0.00 N ATOM 561 CA ARG A 35 -6.315 -5.408 4.911 1.00 0.00 C ATOM 562 C ARG A 35 -7.460 -6.047 4.147 1.00 0.00 C ATOM 563 O ARG A 35 -7.884 -7.161 4.461 1.00 0.00 O ATOM 564 CB ARG A 35 -6.838 -4.503 6.026 1.00 0.00 C ATOM 565 CG ARG A 35 -7.654 -3.342 5.449 1.00 0.00 C ATOM 566 CD ARG A 35 -8.150 -2.436 6.582 1.00 0.00 C ATOM 567 NE ARG A 35 -9.052 -1.410 6.059 1.00 0.00 N ATOM 568 CZ ARG A 35 -10.114 -1.726 5.324 1.00 0.00 C ATOM 569 NH1 ARG A 35 -11.039 -2.502 5.811 1.00 0.00 N ATOM 570 NH2 ARG A 35 -10.226 -1.263 4.116 1.00 0.00 N ATOM 0 H ARG A 35 -5.515 -3.650 4.077 1.00 0.00 H new ATOM 0 HA ARG A 35 -5.730 -6.203 5.373 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -7.457 -5.083 6.711 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -6.002 -4.112 6.606 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -7.042 -2.767 4.754 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -8.502 -3.728 4.883 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -8.666 -3.033 7.334 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -7.301 -1.964 7.077 1.00 0.00 H new ATOM 0 HE ARG A 35 -8.862 -0.429 6.263 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -10.950 -2.869 6.758 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -11.853 -2.743 5.245 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -9.500 -0.658 3.732 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -11.040 -1.504 3.551 1.00 0.00 H new ATOM 584 N ASP A 36 -7.923 -5.346 3.118 1.00 0.00 N ATOM 585 CA ASP A 36 -8.985 -5.851 2.272 1.00 0.00 C ATOM 586 C ASP A 36 -8.468 -7.076 1.536 1.00 0.00 C ATOM 587 O ASP A 36 -9.245 -7.904 1.054 1.00 0.00 O ATOM 588 CB ASP A 36 -9.421 -4.764 1.272 1.00 0.00 C ATOM 589 CG ASP A 36 -10.158 -3.617 1.980 1.00 0.00 C ATOM 590 OD1 ASP A 36 -10.694 -3.835 3.057 1.00 0.00 O ATOM 591 OD2 ASP A 36 -10.184 -2.530 1.424 1.00 0.00 O ATOM 0 H ASP A 36 -7.575 -4.424 2.853 1.00 0.00 H new ATOM 0 HA ASP A 36 -9.851 -6.123 2.875 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -8.546 -4.372 0.754 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -10.070 -5.203 0.514 1.00 0.00 H new ATOM 596 N ASP A 37 -7.134 -7.171 1.464 1.00 0.00 N ATOM 597 CA ASP A 37 -6.478 -8.285 0.791 1.00 0.00 C ATOM 598 C ASP A 37 -4.957 -8.242 1.020 1.00 0.00 C ATOM 599 O ASP A 37 -4.249 -7.474 0.360 1.00 0.00 O ATOM 600 CB ASP A 37 -6.780 -8.211 -0.712 1.00 0.00 C ATOM 601 CG ASP A 37 -6.440 -9.539 -1.401 1.00 0.00 C ATOM 602 OD1 ASP A 37 -5.382 -10.086 -1.125 1.00 0.00 O ATOM 603 OD2 ASP A 37 -7.243 -9.989 -2.200 1.00 0.00 O ATOM 0 H ASP A 37 -6.493 -6.487 1.866 1.00 0.00 H new ATOM 0 HA ASP A 37 -6.858 -9.220 1.201 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -7.833 -7.976 -0.865 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -6.204 -7.403 -1.164 1.00 0.00 H new ATOM 608 N PRO A 38 -4.439 -9.048 1.932 1.00 0.00 N ATOM 609 CA PRO A 38 -2.976 -9.086 2.224 1.00 0.00 C ATOM 610 C PRO A 38 -2.182 -9.689 1.072 1.00 0.00 C ATOM 611 O PRO A 38 -1.060 -9.270 0.794 1.00 0.00 O ATOM 612 CB PRO A 38 -2.837 -9.943 3.486 1.00 0.00 C ATOM 613 CG PRO A 38 -4.212 -10.353 3.893 1.00 0.00 C ATOM 614 CD PRO A 38 -5.180 -10.000 2.764 1.00 0.00 C ATOM 0 HA PRO A 38 -2.578 -8.081 2.362 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -2.216 -10.818 3.291 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -2.352 -9.379 4.283 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -4.243 -11.423 4.097 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -4.502 -9.845 4.813 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -5.467 -10.885 2.196 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -6.098 -9.558 3.151 1.00 0.00 H new ATOM 622 N SER A 39 -2.785 -10.668 0.395 1.00 0.00 N ATOM 623 CA SER A 39 -2.140 -11.318 -0.738 1.00 0.00 C ATOM 624 C SER A 39 -1.904 -10.296 -1.836 1.00 0.00 C ATOM 625 O SER A 39 -0.945 -10.399 -2.603 1.00 0.00 O ATOM 626 CB SER A 39 -3.016 -12.458 -1.267 1.00 0.00 C ATOM 627 OG SER A 39 -2.288 -13.199 -2.237 1.00 0.00 O ATOM 0 H SER A 39 -3.715 -11.024 0.614 1.00 0.00 H new ATOM 0 HA SER A 39 -1.186 -11.735 -0.415 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.319 -13.109 -0.447 1.00 0.00 H new ATOM 0 HB3 SER A 39 -3.928 -12.056 -1.709 1.00 0.00 H new ATOM 0 HG SER A 39 -2.845 -13.930 -2.576 1.00 0.00 H new ATOM 633 N GLN A 40 -2.792 -9.303 -1.892 1.00 0.00 N ATOM 634 CA GLN A 40 -2.687 -8.255 -2.886 1.00 0.00 C ATOM 635 C GLN A 40 -1.826 -7.104 -2.389 1.00 0.00 C ATOM 636 O GLN A 40 -1.523 -6.203 -3.153 1.00 0.00 O ATOM 637 CB GLN A 40 -4.076 -7.739 -3.274 1.00 0.00 C ATOM 638 CG GLN A 40 -4.818 -8.808 -4.087 1.00 0.00 C ATOM 639 CD GLN A 40 -4.159 -8.985 -5.453 1.00 0.00 C ATOM 640 OE1 GLN A 40 -4.113 -8.046 -6.249 1.00 0.00 O ATOM 641 NE2 GLN A 40 -3.636 -10.136 -5.773 1.00 0.00 N ATOM 0 H GLN A 40 -3.587 -9.210 -1.259 1.00 0.00 H new ATOM 0 HA GLN A 40 -2.208 -8.684 -3.766 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -4.645 -7.490 -2.378 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -3.984 -6.823 -3.858 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -4.812 -9.755 -3.547 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -5.862 -8.520 -4.213 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -3.674 -10.914 -5.114 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -3.189 -10.258 -6.682 1.00 0.00 H new ATOM 650 N SER A 41 -1.400 -7.144 -1.122 1.00 0.00 N ATOM 651 CA SER A 41 -0.541 -6.083 -0.590 1.00 0.00 C ATOM 652 C SER A 41 0.649 -5.942 -1.521 1.00 0.00 C ATOM 653 O SER A 41 1.129 -4.847 -1.768 1.00 0.00 O ATOM 654 CB SER A 41 -0.091 -6.419 0.841 1.00 0.00 C ATOM 655 OG SER A 41 -1.234 -6.490 1.681 1.00 0.00 O ATOM 0 H SER A 41 -1.630 -7.884 -0.458 1.00 0.00 H new ATOM 0 HA SER A 41 -1.085 -5.140 -0.539 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.445 -7.368 0.854 1.00 0.00 H new ATOM 0 HB3 SER A 41 0.599 -5.658 1.207 1.00 0.00 H new ATOM 0 HG SER A 41 -0.958 -6.737 2.588 1.00 0.00 H new ATOM 661 N ALA A 42 1.057 -7.081 -2.071 1.00 0.00 N ATOM 662 CA ALA A 42 2.149 -7.161 -3.030 1.00 0.00 C ATOM 663 C ALA A 42 1.818 -6.387 -4.306 1.00 0.00 C ATOM 664 O ALA A 42 2.649 -5.681 -4.870 1.00 0.00 O ATOM 665 CB ALA A 42 2.347 -8.621 -3.416 1.00 0.00 C ATOM 0 H ALA A 42 0.633 -7.984 -1.860 1.00 0.00 H new ATOM 0 HA ALA A 42 3.042 -6.737 -2.572 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.162 -8.700 -4.135 1.00 0.00 H new ATOM 0 HB2 ALA A 42 2.590 -9.203 -2.527 1.00 0.00 H new ATOM 0 HB3 ALA A 42 1.431 -9.007 -3.863 1.00 0.00 H new ATOM 671 N ASN A 43 0.589 -6.565 -4.751 1.00 0.00 N ATOM 672 CA ASN A 43 0.076 -5.923 -5.946 1.00 0.00 C ATOM 673 C ASN A 43 -0.189 -4.455 -5.713 1.00 0.00 C ATOM 674 O ASN A 43 -0.106 -3.625 -6.610 1.00 0.00 O ATOM 675 CB ASN A 43 -1.250 -6.561 -6.262 1.00 0.00 C ATOM 676 CG ASN A 43 -1.056 -7.968 -6.817 1.00 0.00 C ATOM 677 OD1 ASN A 43 -0.861 -8.962 -5.996 1.00 0.00 O flip ATOM 678 ND2 ASN A 43 -1.075 -8.167 -8.031 1.00 0.00 N flip ATOM 0 H ASN A 43 -0.090 -7.168 -4.286 1.00 0.00 H new ATOM 0 HA ASN A 43 0.808 -6.033 -6.746 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -1.863 -6.602 -5.361 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -1.789 -5.951 -6.987 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -1.228 -7.389 -8.673 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -0.938 -9.110 -8.395 1.00 0.00 H new ATOM 685 N LEU A 44 -0.631 -4.195 -4.507 1.00 0.00 N ATOM 686 CA LEU A 44 -1.055 -2.880 -4.103 1.00 0.00 C ATOM 687 C LEU A 44 0.043 -1.855 -4.139 1.00 0.00 C ATOM 688 O LEU A 44 -0.194 -0.758 -4.619 1.00 0.00 O ATOM 689 CB LEU A 44 -1.711 -2.991 -2.746 1.00 0.00 C ATOM 690 CG LEU A 44 -3.033 -3.739 -2.953 1.00 0.00 C ATOM 691 CD1 LEU A 44 -3.560 -4.315 -1.641 1.00 0.00 C ATOM 692 CD2 LEU A 44 -4.045 -2.778 -3.553 1.00 0.00 C ATOM 0 H LEU A 44 -0.707 -4.898 -3.772 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.778 -2.507 -4.829 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.068 -3.528 -2.049 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.888 -2.003 -2.320 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.865 -4.577 -3.629 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -4.498 -4.839 -1.824 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.830 -5.012 -1.230 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.729 -3.506 -0.930 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.992 -3.296 -3.706 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.196 -1.939 -2.874 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.674 -2.409 -4.509 1.00 0.00 H new ATOM 704 N LEU A 45 1.251 -2.191 -3.707 1.00 0.00 N ATOM 705 CA LEU A 45 2.318 -1.186 -3.836 1.00 0.00 C ATOM 706 C LEU A 45 2.579 -1.050 -5.310 1.00 0.00 C ATOM 707 O LEU A 45 2.930 0.000 -5.784 1.00 0.00 O ATOM 708 CB LEU A 45 3.675 -1.418 -3.123 1.00 0.00 C ATOM 709 CG LEU A 45 3.725 -2.660 -2.262 1.00 0.00 C ATOM 710 CD1 LEU A 45 2.632 -2.614 -1.199 1.00 0.00 C ATOM 711 CD2 LEU A 45 3.618 -3.874 -3.171 1.00 0.00 C ATOM 0 H LEU A 45 1.515 -3.084 -3.291 1.00 0.00 H new ATOM 0 HA LEU A 45 1.934 -0.305 -3.322 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.461 -1.481 -3.876 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.898 -0.551 -2.501 1.00 0.00 H new ATOM 0 HG LEU A 45 4.669 -2.721 -1.720 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.681 -3.515 -0.587 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.776 -1.738 -0.567 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.657 -2.556 -1.682 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.652 -4.783 -2.570 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.676 -3.836 -3.719 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.449 -3.874 -3.877 1.00 0.00 H new ATOM 723 N ALA A 46 2.392 -2.153 -6.027 1.00 0.00 N ATOM 724 CA ALA A 46 2.589 -2.159 -7.465 1.00 0.00 C ATOM 725 C ALA A 46 1.628 -1.152 -8.066 1.00 0.00 C ATOM 726 O ALA A 46 1.998 -0.322 -8.893 1.00 0.00 O ATOM 727 CB ALA A 46 2.269 -3.542 -8.022 1.00 0.00 C ATOM 0 H ALA A 46 2.105 -3.050 -5.634 1.00 0.00 H new ATOM 0 HA ALA A 46 3.622 -1.907 -7.707 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.418 -3.543 -9.102 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.928 -4.280 -7.564 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.232 -3.793 -7.799 1.00 0.00 H new ATOM 733 N GLU A 47 0.400 -1.216 -7.568 1.00 0.00 N ATOM 734 CA GLU A 47 -0.651 -0.316 -7.956 1.00 0.00 C ATOM 735 C GLU A 47 -0.285 1.074 -7.489 1.00 0.00 C ATOM 736 O GLU A 47 -0.351 2.034 -8.230 1.00 0.00 O ATOM 737 CB GLU A 47 -1.916 -0.768 -7.240 1.00 0.00 C ATOM 738 CG GLU A 47 -2.701 -1.752 -8.107 1.00 0.00 C ATOM 739 CD GLU A 47 -3.596 -2.625 -7.226 1.00 0.00 C ATOM 740 OE1 GLU A 47 -3.125 -3.661 -6.781 1.00 0.00 O ATOM 741 OE2 GLU A 47 -4.731 -2.241 -7.002 1.00 0.00 O ATOM 0 H GLU A 47 0.113 -1.907 -6.875 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.798 -0.312 -9.036 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.656 -1.238 -6.292 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.538 0.097 -7.007 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -3.308 -1.208 -8.831 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -2.013 -2.378 -8.675 1.00 0.00 H new ATOM 748 N ALA A 48 0.121 1.127 -6.237 1.00 0.00 N ATOM 749 CA ALA A 48 0.526 2.357 -5.584 1.00 0.00 C ATOM 750 C ALA A 48 1.676 3.002 -6.327 1.00 0.00 C ATOM 751 O ALA A 48 1.655 4.192 -6.603 1.00 0.00 O ATOM 752 CB ALA A 48 0.947 2.052 -4.160 1.00 0.00 C ATOM 0 H ALA A 48 0.180 0.306 -5.635 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.316 3.049 -5.582 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.252 2.974 -3.665 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.110 1.610 -3.620 1.00 0.00 H new ATOM 0 HB3 ALA A 48 1.782 1.352 -4.170 1.00 0.00 H new ATOM 758 N LYS A 49 2.664 2.194 -6.668 1.00 0.00 N ATOM 759 CA LYS A 49 3.810 2.677 -7.418 1.00 0.00 C ATOM 760 C LYS A 49 3.320 3.160 -8.778 1.00 0.00 C ATOM 761 O LYS A 49 3.791 4.176 -9.291 1.00 0.00 O ATOM 762 CB LYS A 49 4.857 1.562 -7.572 1.00 0.00 C ATOM 763 CG LYS A 49 5.552 1.314 -6.219 1.00 0.00 C ATOM 764 CD LYS A 49 6.497 0.108 -6.323 1.00 0.00 C ATOM 765 CE LYS A 49 6.990 -0.288 -4.923 1.00 0.00 C ATOM 766 NZ LYS A 49 8.065 -1.314 -5.041 1.00 0.00 N ATOM 0 H LYS A 49 2.696 1.201 -6.438 1.00 0.00 H new ATOM 0 HA LYS A 49 4.288 3.501 -6.888 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.379 0.646 -7.920 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.594 1.843 -8.325 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.113 2.200 -5.922 1.00 0.00 H new ATOM 0 HG3 LYS A 49 4.805 1.135 -5.445 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.980 -0.732 -6.788 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.346 0.353 -6.962 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.367 0.590 -4.398 1.00 0.00 H new ATOM 0 HE3 LYS A 49 6.162 -0.681 -4.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 7.985 -1.993 -4.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 7.967 -1.817 -5.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 8.994 -0.849 -5.002 1.00 0.00 H new ATOM 780 N LYS A 50 2.319 2.453 -9.324 1.00 0.00 N ATOM 781 CA LYS A 50 1.718 2.849 -10.589 1.00 0.00 C ATOM 782 C LYS A 50 0.905 4.121 -10.384 1.00 0.00 C ATOM 783 O LYS A 50 0.857 4.986 -11.245 1.00 0.00 O ATOM 784 CB LYS A 50 0.833 1.719 -11.139 1.00 0.00 C ATOM 785 CG LYS A 50 1.709 0.663 -11.832 1.00 0.00 C ATOM 786 CD LYS A 50 0.825 -0.373 -12.544 1.00 0.00 C ATOM 787 CE LYS A 50 0.070 -1.226 -11.516 1.00 0.00 C ATOM 788 NZ LYS A 50 -0.433 -2.466 -12.172 1.00 0.00 N ATOM 0 H LYS A 50 1.917 1.613 -8.907 1.00 0.00 H new ATOM 0 HA LYS A 50 2.504 3.044 -11.318 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.267 1.260 -10.328 1.00 0.00 H new ATOM 0 HB3 LYS A 50 0.108 2.123 -11.845 1.00 0.00 H new ATOM 0 HG2 LYS A 50 2.371 1.144 -12.552 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.344 0.167 -11.098 1.00 0.00 H new ATOM 0 HD2 LYS A 50 0.115 0.133 -13.198 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.440 -1.013 -13.176 1.00 0.00 H new ATOM 0 HE2 LYS A 50 0.729 -1.482 -10.686 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -0.762 -0.659 -11.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -0.945 -3.044 -11.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -1.075 -2.211 -12.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.370 -3.009 -12.550 1.00 0.00 H new ATOM 802 N LEU A 51 0.282 4.204 -9.209 1.00 0.00 N ATOM 803 CA LEU A 51 -0.542 5.339 -8.810 1.00 0.00 C ATOM 804 C LEU A 51 0.319 6.563 -8.580 1.00 0.00 C ATOM 805 O LEU A 51 -0.010 7.673 -8.990 1.00 0.00 O ATOM 806 CB LEU A 51 -1.211 4.999 -7.479 1.00 0.00 C ATOM 807 CG LEU A 51 -2.661 4.545 -7.635 1.00 0.00 C ATOM 808 CD1 LEU A 51 -3.520 5.725 -8.115 1.00 0.00 C ATOM 809 CD2 LEU A 51 -2.740 3.337 -8.593 1.00 0.00 C ATOM 0 H LEU A 51 0.338 3.473 -8.499 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.271 5.541 -9.595 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.642 4.212 -6.984 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.178 5.873 -6.829 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.054 4.217 -6.672 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.555 5.400 -8.226 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -3.470 6.533 -7.385 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.146 6.080 -9.075 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.778 3.022 -8.697 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.348 3.621 -9.570 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.150 2.514 -8.190 1.00 0.00 H new ATOM 821 N ASN A 52 1.423 6.317 -7.894 1.00 0.00 N ATOM 822 CA ASN A 52 2.379 7.339 -7.549 1.00 0.00 C ATOM 823 C ASN A 52 2.891 7.975 -8.821 1.00 0.00 C ATOM 824 O ASN A 52 2.923 9.197 -8.965 1.00 0.00 O ATOM 825 CB ASN A 52 3.511 6.656 -6.766 1.00 0.00 C ATOM 826 CG ASN A 52 4.621 7.628 -6.385 1.00 0.00 C ATOM 827 OD1 ASN A 52 4.525 8.320 -5.375 1.00 0.00 O ATOM 828 ND2 ASN A 52 5.686 7.703 -7.132 1.00 0.00 N ATOM 0 H ASN A 52 1.677 5.387 -7.560 1.00 0.00 H new ATOM 0 HA ASN A 52 1.937 8.125 -6.936 1.00 0.00 H new ATOM 0 HB2 ASN A 52 3.103 6.203 -5.863 1.00 0.00 H new ATOM 0 HB3 ASN A 52 3.929 5.848 -7.367 1.00 0.00 H new ATOM 0 HD21 ASN A 52 6.443 8.338 -6.879 1.00 0.00 H new ATOM 0 HD22 ASN A 52 5.763 7.127 -7.970 1.00 0.00 H new ATOM 835 N ASP A 53 3.260 7.108 -9.742 1.00 0.00 N ATOM 836 CA ASP A 53 3.751 7.518 -11.028 1.00 0.00 C ATOM 837 C ASP A 53 2.638 8.097 -11.908 1.00 0.00 C ATOM 838 O ASP A 53 2.865 9.030 -12.681 1.00 0.00 O ATOM 839 CB ASP A 53 4.385 6.307 -11.725 1.00 0.00 C ATOM 840 CG ASP A 53 5.588 5.768 -10.929 1.00 0.00 C ATOM 841 OD1 ASP A 53 6.110 6.484 -10.083 1.00 0.00 O ATOM 842 OD2 ASP A 53 5.967 4.635 -11.178 1.00 0.00 O ATOM 0 H ASP A 53 3.225 6.097 -9.612 1.00 0.00 H new ATOM 0 HA ASP A 53 4.490 8.305 -10.878 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.640 5.520 -11.839 1.00 0.00 H new ATOM 0 HB3 ASP A 53 4.707 6.589 -12.727 1.00 0.00 H new ATOM 847 N ALA A 54 1.450 7.490 -11.818 1.00 0.00 N ATOM 848 CA ALA A 54 0.305 7.891 -12.648 1.00 0.00 C ATOM 849 C ALA A 54 -0.341 9.203 -12.240 1.00 0.00 C ATOM 850 O ALA A 54 -0.764 9.984 -13.095 1.00 0.00 O ATOM 851 CB ALA A 54 -0.772 6.834 -12.520 1.00 0.00 C ATOM 0 H ALA A 54 1.254 6.719 -11.179 1.00 0.00 H new ATOM 0 HA ALA A 54 0.698 8.008 -13.658 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.631 7.114 -13.130 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.383 5.875 -12.861 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -1.079 6.751 -11.477 1.00 0.00 H new ATOM 857 N GLN A 55 -0.460 9.417 -10.941 1.00 0.00 N ATOM 858 CA GLN A 55 -1.111 10.610 -10.442 1.00 0.00 C ATOM 859 C GLN A 55 -0.175 11.776 -10.434 1.00 0.00 C ATOM 860 O GLN A 55 -0.524 12.874 -10.874 1.00 0.00 O ATOM 861 CB GLN A 55 -1.566 10.397 -9.008 1.00 0.00 C ATOM 862 CG GLN A 55 -2.755 9.442 -8.932 1.00 0.00 C ATOM 863 CD GLN A 55 -3.230 9.362 -7.484 1.00 0.00 C ATOM 864 OE1 GLN A 55 -4.218 8.692 -7.188 1.00 0.00 O ATOM 865 NE2 GLN A 55 -2.588 10.030 -6.558 1.00 0.00 N ATOM 0 H GLN A 55 -0.116 8.784 -10.219 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.956 10.811 -11.100 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -0.740 9.998 -8.419 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.839 11.355 -8.566 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.562 9.793 -9.575 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.468 8.453 -9.290 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.769 10.585 -6.805 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.907 9.995 -5.590 1.00 0.00 H new ATOM 874 N ALA A 56 0.997 11.528 -9.863 1.00 0.00 N ATOM 875 CA ALA A 56 1.995 12.577 -9.703 1.00 0.00 C ATOM 876 C ALA A 56 1.286 13.845 -9.178 1.00 0.00 C ATOM 877 O ALA A 56 1.273 14.882 -9.848 1.00 0.00 O ATOM 878 CB ALA A 56 2.687 12.841 -11.046 1.00 0.00 C ATOM 0 H ALA A 56 1.278 10.615 -9.505 1.00 0.00 H new ATOM 0 HA ALA A 56 2.761 12.275 -8.989 1.00 0.00 H new ATOM 0 HB1 ALA A 56 3.433 13.626 -10.923 1.00 0.00 H new ATOM 0 HB2 ALA A 56 3.174 11.929 -11.390 1.00 0.00 H new ATOM 0 HB3 ALA A 56 1.946 13.156 -11.781 1.00 0.00 H new ATOM 884 N PRO A 57 0.652 13.763 -8.010 1.00 0.00 N ATOM 885 CA PRO A 57 -0.115 14.892 -7.422 1.00 0.00 C ATOM 886 C PRO A 57 0.804 15.992 -6.891 1.00 0.00 C ATOM 887 O PRO A 57 1.248 15.947 -5.741 1.00 0.00 O ATOM 888 CB PRO A 57 -0.970 14.259 -6.305 1.00 0.00 C ATOM 889 CG PRO A 57 -0.680 12.797 -6.330 1.00 0.00 C ATOM 890 CD PRO A 57 0.617 12.613 -7.109 1.00 0.00 C ATOM 0 HA PRO A 57 -0.736 15.389 -8.167 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.720 14.688 -5.335 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -2.030 14.448 -6.473 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -0.580 12.406 -5.317 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -1.495 12.250 -6.804 1.00 0.00 H new ATOM 0 HD2 PRO A 57 1.482 12.598 -6.446 1.00 0.00 H new ATOM 0 HD3 PRO A 57 0.622 11.673 -7.661 1.00 0.00 H new ATOM 898 N LYS A 58 1.081 16.971 -7.752 1.00 0.00 N ATOM 899 CA LYS A 58 1.949 18.100 -7.404 1.00 0.00 C ATOM 900 C LYS A 58 3.297 17.605 -6.847 1.00 0.00 C ATOM 901 O LYS A 58 4.073 17.085 -7.632 1.00 0.00 O ATOM 902 CB LYS A 58 1.228 19.016 -6.396 1.00 0.00 C ATOM 903 CG LYS A 58 -0.059 19.552 -7.032 1.00 0.00 C ATOM 904 CD LYS A 58 -0.765 20.504 -6.062 1.00 0.00 C ATOM 905 CE LYS A 58 -2.123 20.904 -6.645 1.00 0.00 C ATOM 906 NZ LYS A 58 -3.006 21.406 -5.553 1.00 0.00 N ATOM 907 OXT LYS A 58 3.532 17.737 -5.654 1.00 0.00 O ATOM 0 H LYS A 58 0.714 17.006 -8.703 1.00 0.00 H new ATOM 0 HA LYS A 58 2.163 18.675 -8.305 1.00 0.00 H new ATOM 0 HB2 LYS A 58 0.995 18.463 -5.486 1.00 0.00 H new ATOM 0 HB3 LYS A 58 1.878 19.843 -6.109 1.00 0.00 H new ATOM 0 HG2 LYS A 58 0.174 20.073 -7.961 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -0.720 18.724 -7.288 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -0.900 20.021 -5.094 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -0.153 21.390 -5.894 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -1.992 21.675 -7.404 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -2.586 20.048 -7.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -3.928 21.678 -5.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -3.141 20.657 -4.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -2.565 22.234 -5.103 1.00 0.00 H new TER 921 LYS A 58