USER MOD reduce.3.24.130724 H: found=0, std=0, add=502, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 503 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 32 ASN : amide:sc= -2! C(o=-1.8!,f=-8.7!) USER MOD Set 1.2: A 36 LYS NZ :NH3+ -166:sc= 0.225! (180deg=-1.13!) USER MOD Single : A 4 ASN : amide:sc= 0.721 K(o=0.72,f=-6.5!) USER MOD Single : A 5 ASN :FLIP amide:sc= -0.564 F(o=-3!,f=-0.56) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ -138:sc= -0.46! (180deg=-2.24!) USER MOD Single : A 14 LYS NZ :NH3+ -178:sc= 0.742 (180deg=0.547) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -2.97! C(o=-3!,f=-6!) USER MOD Single : A 18 SER OG : rot 180:sc= 0.0575 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 30 THR OG1 : rot 67:sc= 0.684 USER MOD Single : A 37 ASN :FLIP amide:sc= -2.47 F(o=-4.3!,f=-2.5) USER MOD Single : A 38 LYS NZ :NH3+ -153:sc= -0.105 (180deg=-0.658) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -0.0238 K(o=-0.024,f=-7.5!) USER MOD Single : A 42 SER OG : rot 180:sc= 0.0189 USER MOD Single : A 44 GLN : amide:sc= -6.73! C(o=-6.7!,f=-16!) USER MOD Single : A 48 LYS NZ :NH3+ -169:sc= 1.56 (180deg=1.29) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 ASN :FLIP amide:sc= -0.351 F(o=-2.1,f=-0.35) USER MOD Single : A 55 THR OG1 : rot 66:sc= 0.707 USER MOD ----------------------------------------------------------------- ATOM 56 N ASN A 4 -0.841 -0.958 -5.966 1.00 0.00 N ATOM 57 CA ASN A 4 -1.954 -1.645 -5.322 1.00 0.00 C ATOM 58 C ASN A 4 -1.977 -3.112 -5.730 1.00 0.00 C ATOM 59 O ASN A 4 -3.029 -3.731 -5.786 1.00 0.00 O ATOM 60 CB ASN A 4 -3.291 -0.995 -5.720 1.00 0.00 C ATOM 61 CG ASN A 4 -3.496 0.352 -5.038 1.00 0.00 C ATOM 62 OD1 ASN A 4 -4.639 0.767 -4.829 1.00 0.00 O ATOM 63 ND2 ASN A 4 -2.475 1.076 -4.693 1.00 0.00 N ATOM 0 HA ASN A 4 -1.820 -1.567 -4.243 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -3.322 -0.862 -6.801 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -4.111 -1.663 -5.457 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -2.620 1.984 -4.251 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -1.528 0.737 -4.864 1.00 0.00 H new ATOM 70 N ASN A 5 -0.811 -3.671 -5.992 1.00 0.00 N ATOM 71 CA ASN A 5 -0.719 -5.071 -6.420 1.00 0.00 C ATOM 72 C ASN A 5 -0.398 -5.977 -5.252 1.00 0.00 C ATOM 73 O ASN A 5 0.411 -6.899 -5.355 1.00 0.00 O ATOM 74 CB ASN A 5 0.299 -5.240 -7.561 1.00 0.00 C ATOM 75 CG ASN A 5 1.736 -5.161 -7.047 1.00 0.00 C ATOM 76 OD1 ASN A 5 2.083 -4.228 -6.205 1.00 0.00 O flip ATOM 77 ND2 ASN A 5 2.570 -5.986 -7.424 1.00 0.00 N flip ATOM 0 H ASN A 5 0.085 -3.189 -5.919 1.00 0.00 H new ATOM 0 HA ASN A 5 -1.694 -5.366 -6.807 1.00 0.00 H new ATOM 0 HB2 ASN A 5 0.140 -6.200 -8.053 1.00 0.00 H new ATOM 0 HB3 ASN A 5 0.137 -4.467 -8.312 1.00 0.00 H new ATOM 0 HD21 ASN A 5 2.302 -6.717 -8.083 1.00 0.00 H new ATOM 0 HD22 ASN A 5 3.528 -5.938 -7.077 1.00 0.00 H new ATOM 84 N LEU A 6 -1.132 -5.774 -4.181 1.00 0.00 N ATOM 85 CA LEU A 6 -1.034 -6.598 -2.984 1.00 0.00 C ATOM 86 C LEU A 6 -1.432 -8.037 -3.320 1.00 0.00 C ATOM 87 O LEU A 6 -0.847 -9.002 -2.811 1.00 0.00 O ATOM 88 CB LEU A 6 -1.959 -6.010 -1.891 1.00 0.00 C ATOM 89 CG LEU A 6 -1.859 -6.786 -0.556 1.00 0.00 C ATOM 90 CD1 LEU A 6 -2.746 -8.032 -0.590 1.00 0.00 C ATOM 91 CD2 LEU A 6 -0.408 -7.185 -0.254 1.00 0.00 C ATOM 0 H LEU A 6 -1.822 -5.026 -4.110 1.00 0.00 H new ATOM 0 HA LEU A 6 -0.009 -6.604 -2.613 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.699 -4.965 -1.722 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -2.990 -6.028 -2.243 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.206 -6.125 0.238 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.662 -8.564 0.357 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -3.783 -7.736 -0.749 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.426 -8.684 -1.402 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -0.369 -7.729 0.690 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -0.031 -7.821 -1.055 1.00 0.00 H new ATOM 0 HD23 LEU A 6 0.208 -6.289 -0.182 1.00 0.00 H new ATOM 103 N LYS A 7 -2.466 -8.161 -4.143 1.00 0.00 N ATOM 104 CA LYS A 7 -3.040 -9.458 -4.506 1.00 0.00 C ATOM 105 C LYS A 7 -1.974 -10.511 -4.698 1.00 0.00 C ATOM 106 O LYS A 7 -2.093 -11.612 -4.176 1.00 0.00 O ATOM 107 CB LYS A 7 -3.839 -9.369 -5.824 1.00 0.00 C ATOM 108 CG LYS A 7 -3.395 -8.150 -6.641 1.00 0.00 C ATOM 109 CD LYS A 7 -4.089 -8.171 -8.007 1.00 0.00 C ATOM 110 CE LYS A 7 -3.673 -6.935 -8.818 1.00 0.00 C ATOM 111 NZ LYS A 7 -3.743 -7.235 -10.264 1.00 0.00 N ATOM 0 H LYS A 7 -2.933 -7.366 -4.580 1.00 0.00 H new ATOM 0 HA LYS A 7 -3.694 -9.736 -3.680 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -3.692 -10.278 -6.407 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.905 -9.299 -5.606 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -3.644 -7.232 -6.109 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -2.313 -8.160 -6.771 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -3.822 -9.079 -8.547 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -5.171 -8.185 -7.876 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -4.327 -6.096 -8.580 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -2.660 -6.636 -8.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -3.460 -6.394 -10.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -3.102 -8.023 -10.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -4.717 -7.499 -10.517 1.00 0.00 H new ATOM 125 N LEU A 8 -1.009 -10.213 -5.563 1.00 0.00 N ATOM 126 CA LEU A 8 -0.063 -11.223 -6.019 1.00 0.00 C ATOM 127 C LEU A 8 0.700 -11.815 -4.856 1.00 0.00 C ATOM 128 O LEU A 8 0.817 -13.037 -4.737 1.00 0.00 O ATOM 129 CB LEU A 8 0.937 -10.613 -7.020 1.00 0.00 C ATOM 130 CG LEU A 8 0.245 -10.200 -8.347 1.00 0.00 C ATOM 131 CD1 LEU A 8 -1.086 -10.935 -8.552 1.00 0.00 C ATOM 132 CD2 LEU A 8 -0.008 -8.695 -8.345 1.00 0.00 C ATOM 0 H LEU A 8 -0.863 -9.285 -5.960 1.00 0.00 H new ATOM 0 HA LEU A 8 -0.634 -12.012 -6.508 1.00 0.00 H new ATOM 0 HB2 LEU A 8 1.414 -9.741 -6.572 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.726 -11.335 -7.231 1.00 0.00 H new ATOM 0 HG LEU A 8 0.911 -10.473 -9.166 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.537 -10.616 -9.492 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.907 -12.010 -8.581 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -1.761 -10.702 -7.729 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.494 -8.406 -9.277 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -0.652 -8.435 -7.505 1.00 0.00 H new ATOM 0 HD23 LEU A 8 0.941 -8.167 -8.252 1.00 0.00 H new ATOM 144 N ILE A 9 1.148 -10.974 -3.960 1.00 0.00 N ATOM 145 CA ILE A 9 1.822 -11.448 -2.776 1.00 0.00 C ATOM 146 C ILE A 9 0.836 -12.227 -1.911 1.00 0.00 C ATOM 147 O ILE A 9 1.145 -13.305 -1.403 1.00 0.00 O ATOM 148 CB ILE A 9 2.441 -10.279 -2.008 1.00 0.00 C ATOM 149 CG1 ILE A 9 3.317 -9.458 -2.971 1.00 0.00 C ATOM 150 CG2 ILE A 9 3.329 -10.828 -0.890 1.00 0.00 C ATOM 151 CD1 ILE A 9 2.543 -8.237 -3.468 1.00 0.00 C ATOM 0 H ILE A 9 1.059 -9.960 -4.026 1.00 0.00 H new ATOM 0 HA ILE A 9 2.635 -12.116 -3.061 1.00 0.00 H new ATOM 0 HB ILE A 9 1.652 -9.655 -1.588 1.00 0.00 H new ATOM 0 HG12 ILE A 9 4.229 -9.140 -2.465 1.00 0.00 H new ATOM 0 HG13 ILE A 9 3.620 -10.076 -3.816 1.00 0.00 H new ATOM 0 HG21 ILE A 9 3.774 -10.000 -0.338 1.00 0.00 H new ATOM 0 HG22 ILE A 9 2.728 -11.434 -0.212 1.00 0.00 H new ATOM 0 HG23 ILE A 9 4.119 -11.442 -1.322 1.00 0.00 H new ATOM 0 HD11 ILE A 9 3.170 -7.661 -4.149 1.00 0.00 H new ATOM 0 HD12 ILE A 9 1.644 -8.564 -3.991 1.00 0.00 H new ATOM 0 HD13 ILE A 9 2.262 -7.614 -2.619 1.00 0.00 H new ATOM 163 N ARG A 10 -0.366 -11.680 -1.767 1.00 0.00 N ATOM 164 CA ARG A 10 -1.414 -12.348 -1.004 1.00 0.00 C ATOM 165 C ARG A 10 -1.798 -13.693 -1.636 1.00 0.00 C ATOM 166 O ARG A 10 -1.884 -14.716 -0.941 1.00 0.00 O ATOM 167 CB ARG A 10 -2.642 -11.418 -0.877 1.00 0.00 C ATOM 168 CG ARG A 10 -3.939 -12.223 -0.726 1.00 0.00 C ATOM 169 CD ARG A 10 -4.700 -12.187 -2.056 1.00 0.00 C ATOM 170 NE ARG A 10 -5.838 -13.101 -2.039 1.00 0.00 N ATOM 171 CZ ARG A 10 -6.745 -13.093 -3.027 1.00 0.00 C ATOM 172 NH1 ARG A 10 -6.734 -12.130 -3.909 1.00 0.00 N ATOM 173 NH2 ARG A 10 -7.677 -14.005 -3.072 1.00 0.00 N ATOM 0 H ARG A 10 -0.638 -10.781 -2.166 1.00 0.00 H new ATOM 0 HA ARG A 10 -1.032 -12.563 -0.006 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.516 -10.762 -0.015 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -2.709 -10.779 -1.757 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -3.714 -13.253 -0.448 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -4.553 -11.804 0.071 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -5.048 -11.173 -2.251 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -4.027 -12.455 -2.870 1.00 0.00 H new ATOM 0 HE ARG A 10 -5.945 -13.756 -1.264 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -6.037 -11.388 -3.845 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -7.422 -12.120 -4.662 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -7.718 -14.728 -2.354 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -8.365 -13.995 -3.825 1.00 0.00 H new ATOM 187 N GLU A 11 -2.018 -13.705 -2.945 1.00 0.00 N ATOM 188 CA GLU A 11 -2.404 -14.940 -3.613 1.00 0.00 C ATOM 189 C GLU A 11 -1.243 -15.907 -3.689 1.00 0.00 C ATOM 190 O GLU A 11 -1.429 -17.094 -3.956 1.00 0.00 O ATOM 191 CB GLU A 11 -3.016 -14.709 -5.010 1.00 0.00 C ATOM 192 CG GLU A 11 -2.069 -13.906 -5.901 1.00 0.00 C ATOM 193 CD GLU A 11 -2.251 -14.316 -7.343 1.00 0.00 C ATOM 194 OE1 GLU A 11 -3.354 -14.214 -7.829 1.00 0.00 O ATOM 195 OE2 GLU A 11 -1.286 -14.735 -7.948 1.00 0.00 O ATOM 0 H GLU A 11 -1.938 -12.891 -3.554 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.189 -15.383 -2.999 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -3.234 -15.669 -5.478 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -3.964 -14.180 -4.912 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -2.266 -12.840 -5.789 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -1.037 -14.073 -5.594 1.00 0.00 H new ATOM 202 N LYS A 12 -0.045 -15.388 -3.472 1.00 0.00 N ATOM 203 CA LYS A 12 1.168 -16.193 -3.542 1.00 0.00 C ATOM 204 C LYS A 12 1.066 -17.313 -2.528 1.00 0.00 C ATOM 205 O LYS A 12 1.283 -18.484 -2.841 1.00 0.00 O ATOM 206 CB LYS A 12 2.341 -15.304 -3.147 1.00 0.00 C ATOM 207 CG LYS A 12 3.673 -16.020 -3.342 1.00 0.00 C ATOM 208 CD LYS A 12 4.777 -15.096 -2.834 1.00 0.00 C ATOM 209 CE LYS A 12 5.870 -14.960 -3.876 1.00 0.00 C ATOM 210 NZ LYS A 12 6.965 -15.915 -3.607 1.00 0.00 N ATOM 0 H LYS A 12 0.116 -14.407 -3.244 1.00 0.00 H new ATOM 0 HA LYS A 12 1.301 -16.599 -4.545 1.00 0.00 H new ATOM 0 HB2 LYS A 12 2.326 -14.392 -3.744 1.00 0.00 H new ATOM 0 HB3 LYS A 12 2.237 -15.004 -2.104 1.00 0.00 H new ATOM 0 HG2 LYS A 12 3.683 -16.964 -2.796 1.00 0.00 H new ATOM 0 HG3 LYS A 12 3.828 -16.259 -4.394 1.00 0.00 H new ATOM 0 HD2 LYS A 12 4.362 -14.115 -2.602 1.00 0.00 H new ATOM 0 HD3 LYS A 12 5.195 -15.492 -1.908 1.00 0.00 H new ATOM 0 HE2 LYS A 12 5.458 -15.141 -4.869 1.00 0.00 H new ATOM 0 HE3 LYS A 12 6.259 -13.942 -3.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 7.705 -15.808 -4.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 7.369 -15.724 -2.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 6.593 -16.886 -3.633 1.00 0.00 H new ATOM 224 N LYS A 13 0.694 -16.942 -1.319 1.00 0.00 N ATOM 225 CA LYS A 13 0.533 -17.914 -0.233 1.00 0.00 C ATOM 226 C LYS A 13 -0.907 -18.394 -0.202 1.00 0.00 C ATOM 227 O LYS A 13 -1.367 -18.959 0.797 1.00 0.00 O ATOM 228 CB LYS A 13 0.885 -17.298 1.130 1.00 0.00 C ATOM 229 CG LYS A 13 1.779 -16.081 0.938 1.00 0.00 C ATOM 230 CD LYS A 13 2.332 -15.632 2.286 1.00 0.00 C ATOM 231 CE LYS A 13 3.316 -14.488 2.053 1.00 0.00 C ATOM 232 NZ LYS A 13 4.290 -14.436 3.162 1.00 0.00 N ATOM 0 H LYS A 13 0.495 -15.977 -1.055 1.00 0.00 H new ATOM 0 HA LYS A 13 1.212 -18.746 -0.419 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -0.026 -17.011 1.654 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.391 -18.036 1.752 1.00 0.00 H new ATOM 0 HG2 LYS A 13 2.598 -16.323 0.260 1.00 0.00 H new ATOM 0 HG3 LYS A 13 1.213 -15.271 0.478 1.00 0.00 H new ATOM 0 HD2 LYS A 13 1.521 -15.307 2.938 1.00 0.00 H new ATOM 0 HD3 LYS A 13 2.830 -16.463 2.786 1.00 0.00 H new ATOM 0 HE2 LYS A 13 3.836 -14.630 1.106 1.00 0.00 H new ATOM 0 HE3 LYS A 13 2.779 -13.542 1.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.450 -13.446 3.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.918 -14.966 3.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.189 -14.859 2.855 1.00 0.00 H new ATOM 246 N LYS A 14 -1.643 -18.049 -1.249 1.00 0.00 N ATOM 247 CA LYS A 14 -3.065 -18.316 -1.322 1.00 0.00 C ATOM 248 C LYS A 14 -3.769 -17.686 -0.131 1.00 0.00 C ATOM 249 O LYS A 14 -4.663 -18.293 0.467 1.00 0.00 O ATOM 250 CB LYS A 14 -3.378 -19.838 -1.381 1.00 0.00 C ATOM 251 CG LYS A 14 -2.203 -20.659 -1.966 1.00 0.00 C ATOM 252 CD LYS A 14 -1.676 -20.052 -3.279 1.00 0.00 C ATOM 253 CE LYS A 14 -2.810 -19.906 -4.308 1.00 0.00 C ATOM 254 NZ LYS A 14 -2.458 -18.842 -5.276 1.00 0.00 N ATOM 0 H LYS A 14 -1.267 -17.576 -2.071 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.434 -17.874 -2.248 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -3.606 -20.199 -0.378 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -4.269 -20.000 -1.988 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -1.394 -20.705 -1.237 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -2.530 -21.683 -2.145 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -1.231 -19.077 -3.081 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -0.888 -20.685 -3.687 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.968 -20.850 -4.829 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -3.745 -19.660 -3.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -3.237 -18.717 -5.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -2.295 -17.950 -4.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -1.594 -19.111 -5.789 1.00 0.00 H new ATOM 268 N ILE A 15 -3.366 -16.466 0.218 1.00 0.00 N ATOM 269 CA ILE A 15 -3.966 -15.787 1.347 1.00 0.00 C ATOM 270 C ILE A 15 -5.322 -15.239 0.979 1.00 0.00 C ATOM 271 O ILE A 15 -5.499 -14.611 -0.080 1.00 0.00 O ATOM 272 CB ILE A 15 -3.057 -14.670 1.877 1.00 0.00 C ATOM 273 CG1 ILE A 15 -1.732 -15.247 2.334 1.00 0.00 C ATOM 274 CG2 ILE A 15 -3.703 -13.934 3.046 1.00 0.00 C ATOM 275 CD1 ILE A 15 -1.961 -16.395 3.323 1.00 0.00 C ATOM 0 H ILE A 15 -2.636 -15.939 -0.262 1.00 0.00 H new ATOM 0 HA ILE A 15 -4.093 -16.519 2.145 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.897 -13.964 1.062 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.169 -15.607 1.473 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -1.132 -14.468 2.804 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -3.033 -13.150 3.397 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -4.643 -13.489 2.721 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -3.895 -14.637 3.857 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.000 -16.798 3.641 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.504 -16.024 4.192 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -2.542 -17.181 2.840 1.00 0.00 H new ATOM 287 N SER A 16 -6.273 -15.478 1.837 1.00 0.00 N ATOM 288 CA SER A 16 -7.614 -14.984 1.624 1.00 0.00 C ATOM 289 C SER A 16 -7.719 -13.543 2.082 1.00 0.00 C ATOM 290 O SER A 16 -7.205 -13.182 3.142 1.00 0.00 O ATOM 291 CB SER A 16 -8.635 -15.843 2.369 1.00 0.00 C ATOM 292 OG SER A 16 -8.890 -17.034 1.628 1.00 0.00 O ATOM 0 H SER A 16 -6.149 -16.014 2.696 1.00 0.00 H new ATOM 0 HA SER A 16 -7.831 -15.037 0.557 1.00 0.00 H new ATOM 0 HB2 SER A 16 -8.260 -16.093 3.361 1.00 0.00 H new ATOM 0 HB3 SER A 16 -9.561 -15.285 2.510 1.00 0.00 H new ATOM 0 HG SER A 16 -9.544 -17.584 2.108 1.00 0.00 H new ATOM 298 N GLN A 17 -8.462 -12.747 1.354 1.00 0.00 N ATOM 299 CA GLN A 17 -8.694 -11.389 1.780 1.00 0.00 C ATOM 300 C GLN A 17 -9.478 -11.398 3.083 1.00 0.00 C ATOM 301 O GLN A 17 -9.222 -10.602 3.983 1.00 0.00 O ATOM 302 CB GLN A 17 -9.452 -10.604 0.708 1.00 0.00 C ATOM 303 CG GLN A 17 -8.590 -10.453 -0.545 1.00 0.00 C ATOM 304 CD GLN A 17 -7.367 -9.614 -0.235 1.00 0.00 C ATOM 305 OE1 GLN A 17 -7.301 -8.976 0.810 1.00 0.00 O ATOM 306 NE2 GLN A 17 -6.415 -9.556 -1.085 1.00 0.00 N ATOM 0 H GLN A 17 -8.911 -13.010 0.477 1.00 0.00 H new ATOM 0 HA GLN A 17 -7.734 -10.898 1.937 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -10.381 -11.118 0.459 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -9.724 -9.621 1.091 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -8.285 -11.435 -0.907 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -9.170 -9.985 -1.341 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -6.473 -10.088 -1.953 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -5.597 -8.978 -0.895 1.00 0.00 H new ATOM 315 N SER A 18 -10.420 -12.322 3.184 1.00 0.00 N ATOM 316 CA SER A 18 -11.244 -12.437 4.372 1.00 0.00 C ATOM 317 C SER A 18 -10.402 -12.744 5.604 1.00 0.00 C ATOM 318 O SER A 18 -10.539 -12.078 6.639 1.00 0.00 O ATOM 319 CB SER A 18 -12.298 -13.522 4.159 1.00 0.00 C ATOM 320 OG SER A 18 -11.795 -14.479 3.223 1.00 0.00 O ATOM 0 H SER A 18 -10.632 -13.003 2.455 1.00 0.00 H new ATOM 0 HA SER A 18 -11.739 -11.481 4.544 1.00 0.00 H new ATOM 0 HB2 SER A 18 -12.535 -14.009 5.105 1.00 0.00 H new ATOM 0 HB3 SER A 18 -13.223 -13.081 3.787 1.00 0.00 H new ATOM 0 HG SER A 18 -12.464 -15.181 3.081 1.00 0.00 H new ATOM 326 N GLU A 19 -9.494 -13.704 5.481 1.00 0.00 N ATOM 327 CA GLU A 19 -8.624 -14.040 6.593 1.00 0.00 C ATOM 328 C GLU A 19 -7.638 -12.917 6.839 1.00 0.00 C ATOM 329 O GLU A 19 -7.385 -12.537 7.982 1.00 0.00 O ATOM 330 CB GLU A 19 -7.907 -15.395 6.364 1.00 0.00 C ATOM 331 CG GLU A 19 -6.676 -15.254 5.437 1.00 0.00 C ATOM 332 CD GLU A 19 -6.114 -16.619 5.118 1.00 0.00 C ATOM 333 OE1 GLU A 19 -6.129 -17.461 5.992 1.00 0.00 O ATOM 334 OE2 GLU A 19 -5.689 -16.816 4.003 1.00 0.00 O ATOM 0 H GLU A 19 -9.344 -14.254 4.635 1.00 0.00 H new ATOM 0 HA GLU A 19 -9.236 -14.158 7.487 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -7.592 -15.805 7.324 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -8.608 -16.107 5.928 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -6.960 -14.744 4.517 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -5.915 -14.641 5.920 1.00 0.00 H new ATOM 341 N LEU A 20 -7.128 -12.356 5.751 1.00 0.00 N ATOM 342 CA LEU A 20 -6.171 -11.265 5.814 1.00 0.00 C ATOM 343 C LEU A 20 -6.780 -10.073 6.534 1.00 0.00 C ATOM 344 O LEU A 20 -6.193 -9.527 7.465 1.00 0.00 O ATOM 345 CB LEU A 20 -5.849 -10.835 4.379 1.00 0.00 C ATOM 346 CG LEU A 20 -4.886 -9.647 4.365 1.00 0.00 C ATOM 347 CD1 LEU A 20 -3.444 -10.123 4.560 1.00 0.00 C ATOM 348 CD2 LEU A 20 -5.035 -8.896 3.044 1.00 0.00 C ATOM 0 H LEU A 20 -7.367 -12.645 4.803 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.279 -11.595 6.346 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.409 -11.671 3.835 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -6.770 -10.567 3.861 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.128 -8.974 5.188 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.773 -9.264 4.547 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.357 -10.638 5.517 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.174 -10.806 3.755 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.351 -8.048 3.028 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.802 -9.566 2.216 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -6.059 -8.538 2.943 1.00 0.00 H new ATOM 360 N ALA A 21 -7.976 -9.699 6.125 1.00 0.00 N ATOM 361 CA ALA A 21 -8.658 -8.546 6.701 1.00 0.00 C ATOM 362 C ALA A 21 -8.820 -8.718 8.194 1.00 0.00 C ATOM 363 O ALA A 21 -8.636 -7.767 8.970 1.00 0.00 O ATOM 364 CB ALA A 21 -10.034 -8.350 6.050 1.00 0.00 C ATOM 0 H ALA A 21 -8.502 -10.176 5.393 1.00 0.00 H new ATOM 0 HA ALA A 21 -8.049 -7.663 6.509 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -10.527 -7.485 6.494 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.910 -8.188 4.979 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -10.644 -9.238 6.214 1.00 0.00 H new ATOM 370 N ALA A 22 -9.083 -9.946 8.606 1.00 0.00 N ATOM 371 CA ALA A 22 -9.211 -10.247 10.015 1.00 0.00 C ATOM 372 C ALA A 22 -7.896 -9.995 10.706 1.00 0.00 C ATOM 373 O ALA A 22 -7.849 -9.448 11.809 1.00 0.00 O ATOM 374 CB ALA A 22 -9.648 -11.700 10.227 1.00 0.00 C ATOM 0 H ALA A 22 -9.211 -10.745 7.986 1.00 0.00 H new ATOM 0 HA ALA A 22 -9.976 -9.598 10.442 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -9.737 -11.901 11.295 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.612 -11.864 9.745 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -8.906 -12.370 9.792 1.00 0.00 H new ATOM 380 N LEU A 23 -6.818 -10.367 10.043 1.00 0.00 N ATOM 381 CA LEU A 23 -5.500 -10.158 10.599 1.00 0.00 C ATOM 382 C LEU A 23 -5.251 -8.670 10.741 1.00 0.00 C ATOM 383 O LEU A 23 -4.635 -8.219 11.710 1.00 0.00 O ATOM 384 CB LEU A 23 -4.423 -10.745 9.677 1.00 0.00 C ATOM 385 CG LEU A 23 -4.633 -12.250 9.499 1.00 0.00 C ATOM 386 CD1 LEU A 23 -3.515 -12.838 8.646 1.00 0.00 C ATOM 387 CD2 LEU A 23 -4.705 -12.953 10.849 1.00 0.00 C ATOM 0 H LEU A 23 -6.830 -10.812 9.125 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.451 -10.653 11.569 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.457 -10.250 8.707 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.435 -10.557 10.096 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.583 -12.408 8.988 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.674 -13.910 8.526 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.514 -12.359 7.667 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.556 -12.666 9.135 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.855 -14.022 10.695 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.775 -12.792 11.393 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.537 -12.549 11.425 1.00 0.00 H new ATOM 399 N LEU A 24 -5.663 -7.925 9.720 1.00 0.00 N ATOM 400 CA LEU A 24 -5.404 -6.487 9.637 1.00 0.00 C ATOM 401 C LEU A 24 -6.266 -5.714 10.620 1.00 0.00 C ATOM 402 O LEU A 24 -5.949 -4.563 10.958 1.00 0.00 O ATOM 403 CB LEU A 24 -5.758 -5.991 8.234 1.00 0.00 C ATOM 404 CG LEU A 24 -4.919 -6.707 7.175 1.00 0.00 C ATOM 405 CD1 LEU A 24 -5.372 -6.270 5.786 1.00 0.00 C ATOM 406 CD2 LEU A 24 -3.450 -6.370 7.350 1.00 0.00 C ATOM 0 H LEU A 24 -6.185 -8.298 8.927 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.351 -6.326 9.867 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -6.817 -6.160 8.040 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.590 -4.916 8.171 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.054 -7.783 7.288 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.774 -6.780 5.031 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.423 -6.524 5.649 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.243 -5.192 5.684 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.865 -6.887 6.589 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.309 -5.294 7.248 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.119 -6.687 8.339 1.00 0.00 H new ATOM 418 N GLU A 25 -7.414 -6.295 10.964 1.00 0.00 N ATOM 419 CA GLU A 25 -8.444 -5.628 11.767 1.00 0.00 C ATOM 420 C GLU A 25 -9.249 -4.678 10.872 1.00 0.00 C ATOM 421 O GLU A 25 -9.799 -3.679 11.348 1.00 0.00 O ATOM 422 CB GLU A 25 -7.826 -4.819 12.924 1.00 0.00 C ATOM 423 CG GLU A 25 -7.051 -5.735 13.881 1.00 0.00 C ATOM 424 CD GLU A 25 -6.381 -4.892 14.950 1.00 0.00 C ATOM 425 OE1 GLU A 25 -5.787 -3.893 14.600 1.00 0.00 O ATOM 426 OE2 GLU A 25 -6.473 -5.243 16.103 1.00 0.00 O ATOM 0 H GLU A 25 -7.660 -7.247 10.693 1.00 0.00 H new ATOM 0 HA GLU A 25 -9.089 -6.397 12.191 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.158 -4.056 12.524 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.613 -4.299 13.470 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -7.728 -6.455 14.341 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -6.303 -6.306 13.330 1.00 0.00 H new ATOM 433 N VAL A 26 -9.294 -4.979 9.576 1.00 0.00 N ATOM 434 CA VAL A 26 -10.015 -4.140 8.620 1.00 0.00 C ATOM 435 C VAL A 26 -10.890 -4.985 7.707 1.00 0.00 C ATOM 436 O VAL A 26 -10.773 -6.212 7.681 1.00 0.00 O ATOM 437 CB VAL A 26 -9.043 -3.285 7.792 1.00 0.00 C ATOM 438 CG1 VAL A 26 -8.194 -2.413 8.726 1.00 0.00 C ATOM 439 CG2 VAL A 26 -8.128 -4.181 6.947 1.00 0.00 C ATOM 0 H VAL A 26 -8.841 -5.795 9.164 1.00 0.00 H new ATOM 0 HA VAL A 26 -10.659 -3.469 9.188 1.00 0.00 H new ATOM 0 HB VAL A 26 -9.621 -2.646 7.125 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -7.506 -1.809 8.134 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -8.846 -1.759 9.305 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -7.626 -3.051 9.403 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.446 -3.560 6.367 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -7.554 -4.836 7.602 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.733 -4.785 6.271 1.00 0.00 H new ATOM 449 N SER A 27 -11.816 -4.339 7.025 1.00 0.00 N ATOM 450 CA SER A 27 -12.763 -5.037 6.174 1.00 0.00 C ATOM 451 C SER A 27 -12.110 -5.556 4.886 1.00 0.00 C ATOM 452 O SER A 27 -11.351 -4.838 4.207 1.00 0.00 O ATOM 453 CB SER A 27 -13.932 -4.109 5.841 1.00 0.00 C ATOM 454 OG SER A 27 -14.300 -3.395 7.021 1.00 0.00 O ATOM 0 H SER A 27 -11.934 -3.326 7.044 1.00 0.00 H new ATOM 0 HA SER A 27 -13.127 -5.907 6.721 1.00 0.00 H new ATOM 0 HB2 SER A 27 -13.649 -3.413 5.051 1.00 0.00 H new ATOM 0 HB3 SER A 27 -14.779 -4.686 5.469 1.00 0.00 H new ATOM 0 HG SER A 27 -15.048 -2.795 6.820 1.00 0.00 H new ATOM 460 N ARG A 28 -12.512 -6.755 4.497 1.00 0.00 N ATOM 461 CA ARG A 28 -12.103 -7.374 3.244 1.00 0.00 C ATOM 462 C ARG A 28 -12.517 -6.555 2.037 1.00 0.00 C ATOM 463 O ARG A 28 -11.751 -6.437 1.069 1.00 0.00 O ATOM 464 CB ARG A 28 -12.666 -8.799 3.164 1.00 0.00 C ATOM 465 CG ARG A 28 -12.456 -9.401 1.767 1.00 0.00 C ATOM 466 CD ARG A 28 -12.937 -10.854 1.762 1.00 0.00 C ATOM 467 NE ARG A 28 -14.167 -10.987 2.551 1.00 0.00 N ATOM 468 CZ ARG A 28 -15.382 -10.874 2.029 1.00 0.00 C ATOM 469 NH1 ARG A 28 -15.528 -10.609 0.767 1.00 0.00 N ATOM 470 NH2 ARG A 28 -16.425 -11.013 2.791 1.00 0.00 N ATOM 0 H ARG A 28 -13.142 -7.336 5.051 1.00 0.00 H new ATOM 0 HA ARG A 28 -11.014 -7.417 3.229 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -12.180 -9.427 3.910 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -13.730 -8.787 3.401 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -13.004 -8.822 1.023 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -11.402 -9.354 1.494 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -13.117 -11.181 0.738 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -12.162 -11.502 2.172 1.00 0.00 H new ATOM 0 HE ARG A 28 -14.084 -11.176 3.550 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -14.708 -10.487 0.173 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -16.463 -10.523 0.369 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -16.308 -11.208 3.785 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -17.361 -10.927 2.395 1.00 0.00 H new ATOM 484 N GLN A 29 -13.735 -6.033 2.053 1.00 0.00 N ATOM 485 CA GLN A 29 -14.219 -5.285 0.905 1.00 0.00 C ATOM 486 C GLN A 29 -13.223 -4.201 0.536 1.00 0.00 C ATOM 487 O GLN A 29 -12.868 -4.036 -0.629 1.00 0.00 O ATOM 488 CB GLN A 29 -15.607 -4.672 1.172 1.00 0.00 C ATOM 489 CG GLN A 29 -15.670 -4.018 2.559 1.00 0.00 C ATOM 490 CD GLN A 29 -17.070 -3.474 2.809 1.00 0.00 C ATOM 491 OE1 GLN A 29 -17.993 -3.741 2.028 1.00 0.00 O ATOM 492 NE2 GLN A 29 -17.292 -2.735 3.846 1.00 0.00 N ATOM 0 H GLN A 29 -14.392 -6.111 2.829 1.00 0.00 H new ATOM 0 HA GLN A 29 -14.322 -5.978 0.070 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -15.832 -3.929 0.407 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -16.370 -5.447 1.098 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -15.410 -4.747 3.327 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -14.939 -3.212 2.625 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -16.531 -2.516 4.489 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -18.228 -2.371 4.022 1.00 0.00 H new ATOM 501 N THR A 30 -12.715 -3.522 1.542 1.00 0.00 N ATOM 502 CA THR A 30 -11.718 -2.496 1.328 1.00 0.00 C ATOM 503 C THR A 30 -10.402 -3.075 0.781 1.00 0.00 C ATOM 504 O THR A 30 -9.885 -2.605 -0.230 1.00 0.00 O ATOM 505 CB THR A 30 -11.471 -1.747 2.644 1.00 0.00 C ATOM 506 OG1 THR A 30 -11.921 -2.558 3.736 1.00 0.00 O ATOM 507 CG2 THR A 30 -12.256 -0.432 2.645 1.00 0.00 C ATOM 0 H THR A 30 -12.977 -3.663 2.518 1.00 0.00 H new ATOM 0 HA THR A 30 -12.097 -1.804 0.575 1.00 0.00 H new ATOM 0 HB THR A 30 -10.406 -1.536 2.746 1.00 0.00 H new ATOM 0 HG1 THR A 30 -11.352 -3.353 3.809 1.00 0.00 H new ATOM 0 HG21 THR A 30 -12.078 0.097 3.581 1.00 0.00 H new ATOM 0 HG22 THR A 30 -11.929 0.188 1.810 1.00 0.00 H new ATOM 0 HG23 THR A 30 -13.321 -0.644 2.544 1.00 0.00 H new ATOM 515 N ILE A 31 -9.853 -4.077 1.464 1.00 0.00 N ATOM 516 CA ILE A 31 -8.559 -4.631 1.059 1.00 0.00 C ATOM 517 C ILE A 31 -8.629 -5.324 -0.291 1.00 0.00 C ATOM 518 O ILE A 31 -7.766 -5.117 -1.154 1.00 0.00 O ATOM 519 CB ILE A 31 -8.005 -5.595 2.121 1.00 0.00 C ATOM 520 CG1 ILE A 31 -7.921 -4.894 3.482 1.00 0.00 C ATOM 521 CG2 ILE A 31 -6.603 -6.054 1.713 1.00 0.00 C ATOM 522 CD1 ILE A 31 -7.031 -3.650 3.380 1.00 0.00 C ATOM 0 H ILE A 31 -10.272 -4.516 2.284 1.00 0.00 H new ATOM 0 HA ILE A 31 -7.877 -3.786 0.965 1.00 0.00 H new ATOM 0 HB ILE A 31 -8.673 -6.453 2.197 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -8.919 -4.610 3.816 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -7.518 -5.579 4.228 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -6.210 -6.737 2.466 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -6.653 -6.564 0.751 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -5.946 -5.188 1.631 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -6.978 -3.160 4.352 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -6.029 -3.944 3.067 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -7.452 -2.960 2.648 1.00 0.00 H new ATOM 534 N ASN A 32 -9.654 -6.139 -0.485 1.00 0.00 N ATOM 535 CA ASN A 32 -9.775 -6.864 -1.737 1.00 0.00 C ATOM 536 C ASN A 32 -10.023 -5.901 -2.877 1.00 0.00 C ATOM 537 O ASN A 32 -9.668 -6.178 -4.013 1.00 0.00 O ATOM 538 CB ASN A 32 -10.867 -7.934 -1.676 1.00 0.00 C ATOM 539 CG ASN A 32 -12.167 -7.388 -2.220 1.00 0.00 C ATOM 540 OD1 ASN A 32 -12.489 -7.602 -3.391 1.00 0.00 O ATOM 541 ND2 ASN A 32 -12.919 -6.674 -1.459 1.00 0.00 N ATOM 0 H ASN A 32 -10.397 -6.312 0.192 1.00 0.00 H new ATOM 0 HA ASN A 32 -8.832 -7.382 -1.913 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -10.562 -8.808 -2.252 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -11.006 -8.264 -0.646 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -13.787 -6.281 -1.823 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -12.647 -6.501 -0.491 1.00 0.00 H new ATOM 548 N GLY A 33 -10.605 -4.761 -2.576 1.00 0.00 N ATOM 549 CA GLY A 33 -10.788 -3.740 -3.588 1.00 0.00 C ATOM 550 C GLY A 33 -9.431 -3.188 -3.991 1.00 0.00 C ATOM 551 O GLY A 33 -9.152 -2.969 -5.173 1.00 0.00 O ATOM 0 H GLY A 33 -10.957 -4.518 -1.650 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -11.296 -4.159 -4.457 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -11.420 -2.939 -3.204 1.00 0.00 H new ATOM 555 N ILE A 34 -8.584 -2.969 -2.993 1.00 0.00 N ATOM 556 CA ILE A 34 -7.264 -2.414 -3.214 1.00 0.00 C ATOM 557 C ILE A 34 -6.399 -3.345 -4.057 1.00 0.00 C ATOM 558 O ILE A 34 -5.688 -2.882 -4.935 1.00 0.00 O ATOM 559 CB ILE A 34 -6.574 -2.122 -1.867 1.00 0.00 C ATOM 560 CG1 ILE A 34 -7.329 -1.001 -1.147 1.00 0.00 C ATOM 561 CG2 ILE A 34 -5.121 -1.660 -2.110 1.00 0.00 C ATOM 562 CD1 ILE A 34 -6.814 -0.868 0.288 1.00 0.00 C ATOM 0 H ILE A 34 -8.795 -3.171 -2.016 1.00 0.00 H new ATOM 0 HA ILE A 34 -7.385 -1.481 -3.764 1.00 0.00 H new ATOM 0 HB ILE A 34 -6.574 -3.029 -1.262 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -7.195 -0.060 -1.680 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -8.398 -1.215 -1.141 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -4.640 -1.455 -1.154 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.572 -2.444 -2.632 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -5.124 -0.754 -2.716 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -7.354 -0.069 0.796 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -6.971 -1.807 0.819 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.750 -0.633 0.272 1.00 0.00 H new ATOM 574 N GLU A 35 -6.412 -4.648 -3.760 1.00 0.00 N ATOM 575 CA GLU A 35 -5.507 -5.558 -4.462 1.00 0.00 C ATOM 576 C GLU A 35 -5.707 -5.484 -5.962 1.00 0.00 C ATOM 577 O GLU A 35 -4.738 -5.423 -6.705 1.00 0.00 O ATOM 578 CB GLU A 35 -5.630 -7.010 -3.962 1.00 0.00 C ATOM 579 CG GLU A 35 -6.934 -7.636 -4.454 1.00 0.00 C ATOM 580 CD GLU A 35 -7.137 -9.026 -3.863 1.00 0.00 C ATOM 581 OE1 GLU A 35 -6.160 -9.724 -3.660 1.00 0.00 O ATOM 582 OE2 GLU A 35 -8.277 -9.378 -3.622 1.00 0.00 O ATOM 0 H GLU A 35 -7.017 -5.083 -3.063 1.00 0.00 H new ATOM 0 HA GLU A 35 -4.494 -5.227 -4.236 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.782 -7.596 -4.316 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -5.598 -7.030 -2.873 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.773 -6.996 -4.181 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.922 -7.699 -5.542 1.00 0.00 H new ATOM 589 N LYS A 36 -6.961 -5.426 -6.409 1.00 0.00 N ATOM 590 CA LYS A 36 -7.213 -5.291 -7.836 1.00 0.00 C ATOM 591 C LYS A 36 -6.636 -3.995 -8.335 1.00 0.00 C ATOM 592 O LYS A 36 -5.966 -3.966 -9.363 1.00 0.00 O ATOM 593 CB LYS A 36 -8.703 -5.323 -8.143 1.00 0.00 C ATOM 594 CG LYS A 36 -9.198 -6.774 -8.133 1.00 0.00 C ATOM 595 CD LYS A 36 -10.072 -7.015 -6.906 1.00 0.00 C ATOM 596 CE LYS A 36 -9.665 -8.341 -6.257 1.00 0.00 C ATOM 597 NZ LYS A 36 -10.107 -8.353 -4.845 1.00 0.00 N ATOM 0 H LYS A 36 -7.793 -5.469 -5.821 1.00 0.00 H new ATOM 0 HA LYS A 36 -6.738 -6.133 -8.339 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -9.250 -4.736 -7.405 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -8.894 -4.869 -9.115 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -9.765 -6.980 -9.041 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -8.349 -7.457 -8.125 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -9.957 -6.197 -6.195 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -11.123 -7.043 -7.192 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -10.113 -9.175 -6.797 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.584 -8.469 -6.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -9.636 -9.131 -4.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.859 -7.448 -4.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -11.137 -8.489 -4.805 1.00 0.00 H new ATOM 611 N ASN A 37 -6.871 -2.936 -7.555 1.00 0.00 N ATOM 612 CA ASN A 37 -6.364 -1.581 -7.814 1.00 0.00 C ATOM 613 C ASN A 37 -7.358 -0.535 -7.346 1.00 0.00 C ATOM 614 O ASN A 37 -8.405 -0.344 -7.961 1.00 0.00 O ATOM 615 CB ASN A 37 -5.990 -1.342 -9.296 1.00 0.00 C ATOM 616 CG ASN A 37 -7.148 -1.634 -10.257 1.00 0.00 C ATOM 617 OD1 ASN A 37 -8.314 -1.980 -9.802 1.00 0.00 O flip ATOM 618 ND2 ASN A 37 -6.971 -1.538 -11.478 1.00 0.00 N flip ATOM 0 H ASN A 37 -7.432 -2.996 -6.705 1.00 0.00 H new ATOM 0 HA ASN A 37 -5.443 -1.486 -7.239 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -5.671 -0.307 -9.423 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -5.140 -1.972 -9.557 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -6.057 -1.267 -11.841 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -7.739 -1.730 -12.121 1.00 0.00 H new ATOM 625 N LYS A 38 -7.046 0.145 -6.254 1.00 0.00 N ATOM 626 CA LYS A 38 -7.930 1.182 -5.754 1.00 0.00 C ATOM 627 C LYS A 38 -7.238 2.111 -4.782 1.00 0.00 C ATOM 628 O LYS A 38 -6.780 3.185 -5.166 1.00 0.00 O ATOM 629 CB LYS A 38 -9.218 0.588 -5.145 1.00 0.00 C ATOM 630 CG LYS A 38 -10.055 1.691 -4.462 1.00 0.00 C ATOM 631 CD LYS A 38 -10.343 2.819 -5.459 1.00 0.00 C ATOM 632 CE LYS A 38 -11.456 3.721 -4.918 1.00 0.00 C ATOM 633 NZ LYS A 38 -12.737 2.967 -4.891 1.00 0.00 N ATOM 0 H LYS A 38 -6.199 -0.000 -5.704 1.00 0.00 H new ATOM 0 HA LYS A 38 -8.219 1.785 -6.615 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -9.808 0.107 -5.926 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -8.961 -0.183 -4.419 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -10.991 1.273 -4.092 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -9.519 2.085 -3.599 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -9.440 3.404 -5.630 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -10.638 2.400 -6.421 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -11.204 4.066 -3.915 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -11.557 4.607 -5.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -13.533 3.631 -4.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -12.761 2.294 -5.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -12.815 2.447 -3.994 1.00 0.00 H new ATOM 647 N TYR A 39 -7.297 1.776 -3.505 1.00 0.00 N ATOM 648 CA TYR A 39 -6.832 2.688 -2.481 1.00 0.00 C ATOM 649 C TYR A 39 -5.487 2.259 -1.948 1.00 0.00 C ATOM 650 O TYR A 39 -5.328 1.137 -1.491 1.00 0.00 O ATOM 651 CB TYR A 39 -7.844 2.745 -1.331 1.00 0.00 C ATOM 652 CG TYR A 39 -7.834 4.125 -0.730 1.00 0.00 C ATOM 653 CD1 TYR A 39 -8.439 5.167 -1.431 1.00 0.00 C ATOM 654 CD2 TYR A 39 -7.227 4.372 0.507 1.00 0.00 C ATOM 655 CE1 TYR A 39 -8.448 6.452 -0.909 1.00 0.00 C ATOM 656 CE2 TYR A 39 -7.239 5.671 1.036 1.00 0.00 C ATOM 657 CZ TYR A 39 -7.850 6.708 0.325 1.00 0.00 C ATOM 658 OH TYR A 39 -7.862 7.985 0.842 1.00 0.00 O ATOM 0 H TYR A 39 -7.659 0.888 -3.157 1.00 0.00 H new ATOM 0 HA TYR A 39 -6.730 3.677 -2.928 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -8.842 2.502 -1.696 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -7.593 2.003 -0.573 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -8.904 4.973 -2.386 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -6.753 3.568 1.050 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -8.918 7.255 -1.458 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -6.777 5.870 1.992 1.00 0.00 H new ATOM 0 HH TYR A 39 -7.404 7.991 1.709 1.00 0.00 H new ATOM 668 N ASN A 40 -4.556 3.179 -1.905 1.00 0.00 N ATOM 669 CA ASN A 40 -3.272 2.908 -1.308 1.00 0.00 C ATOM 670 C ASN A 40 -3.399 2.977 0.203 1.00 0.00 C ATOM 671 O ASN A 40 -3.713 4.036 0.760 1.00 0.00 O ATOM 672 CB ASN A 40 -2.220 3.893 -1.814 1.00 0.00 C ATOM 673 CG ASN A 40 -2.672 5.340 -1.586 1.00 0.00 C ATOM 674 OD1 ASN A 40 -3.875 5.626 -1.561 1.00 0.00 O ATOM 675 ND2 ASN A 40 -1.788 6.271 -1.417 1.00 0.00 N ATOM 0 H ASN A 40 -4.663 4.123 -2.277 1.00 0.00 H new ATOM 0 HA ASN A 40 -2.947 1.907 -1.593 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -1.275 3.718 -1.300 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -2.041 3.727 -2.876 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -2.085 7.235 -1.264 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -0.795 6.041 -1.437 1.00 0.00 H new ATOM 682 N PRO A 41 -3.283 1.855 0.864 1.00 0.00 N ATOM 683 CA PRO A 41 -3.539 1.753 2.324 1.00 0.00 C ATOM 684 C PRO A 41 -2.496 2.475 3.153 1.00 0.00 C ATOM 685 O PRO A 41 -1.346 2.633 2.732 1.00 0.00 O ATOM 686 CB PRO A 41 -3.522 0.246 2.589 1.00 0.00 C ATOM 687 CG PRO A 41 -2.623 -0.304 1.537 1.00 0.00 C ATOM 688 CD PRO A 41 -2.876 0.555 0.295 1.00 0.00 C ATOM 0 HA PRO A 41 -4.479 2.227 2.607 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -3.148 0.022 3.588 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -4.522 -0.181 2.520 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -1.579 -0.251 1.845 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -2.844 -1.353 1.341 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -1.981 0.647 -0.321 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -3.656 0.130 -0.337 1.00 0.00 H new ATOM 696 N SER A 42 -2.902 2.912 4.327 1.00 0.00 N ATOM 697 CA SER A 42 -2.007 3.600 5.226 1.00 0.00 C ATOM 698 C SER A 42 -0.847 2.681 5.594 1.00 0.00 C ATOM 699 O SER A 42 -0.981 1.451 5.563 1.00 0.00 O ATOM 700 CB SER A 42 -2.759 4.036 6.477 1.00 0.00 C ATOM 701 OG SER A 42 -4.024 4.588 6.093 1.00 0.00 O ATOM 0 H SER A 42 -3.852 2.801 4.680 1.00 0.00 H new ATOM 0 HA SER A 42 -1.611 4.488 4.734 1.00 0.00 H new ATOM 0 HB2 SER A 42 -2.906 3.186 7.143 1.00 0.00 H new ATOM 0 HB3 SER A 42 -2.177 4.775 7.027 1.00 0.00 H new ATOM 0 HG SER A 42 -4.515 4.869 6.893 1.00 0.00 H new ATOM 707 N LEU A 43 0.300 3.266 5.862 1.00 0.00 N ATOM 708 CA LEU A 43 1.504 2.495 6.088 1.00 0.00 C ATOM 709 C LEU A 43 1.333 1.490 7.213 1.00 0.00 C ATOM 710 O LEU A 43 1.735 0.348 7.075 1.00 0.00 O ATOM 711 CB LEU A 43 2.704 3.414 6.359 1.00 0.00 C ATOM 712 CG LEU A 43 2.425 4.298 7.582 1.00 0.00 C ATOM 713 CD1 LEU A 43 2.932 3.601 8.847 1.00 0.00 C ATOM 714 CD2 LEU A 43 3.144 5.640 7.413 1.00 0.00 C ATOM 0 H LEU A 43 0.425 4.276 5.929 1.00 0.00 H new ATOM 0 HA LEU A 43 1.699 1.932 5.175 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.599 2.816 6.529 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.899 4.038 5.487 1.00 0.00 H new ATOM 0 HG LEU A 43 1.352 4.468 7.670 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.733 4.231 9.714 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.420 2.646 8.967 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.005 3.429 8.762 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.947 6.270 8.281 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.217 5.469 7.324 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.780 6.137 6.514 1.00 0.00 H new ATOM 726 N GLN A 44 0.684 1.883 8.299 1.00 0.00 N ATOM 727 CA GLN A 44 0.471 0.947 9.388 1.00 0.00 C ATOM 728 C GLN A 44 -0.403 -0.198 8.910 1.00 0.00 C ATOM 729 O GLN A 44 -0.095 -1.363 9.136 1.00 0.00 O ATOM 730 CB GLN A 44 -0.102 1.656 10.637 1.00 0.00 C ATOM 731 CG GLN A 44 -1.627 1.533 10.710 1.00 0.00 C ATOM 732 CD GLN A 44 -2.271 2.324 9.581 1.00 0.00 C ATOM 733 OE1 GLN A 44 -1.642 3.216 9.006 1.00 0.00 O ATOM 734 NE2 GLN A 44 -3.472 2.040 9.216 1.00 0.00 N ATOM 0 H GLN A 44 0.305 2.818 8.447 1.00 0.00 H new ATOM 0 HA GLN A 44 1.429 0.529 9.696 1.00 0.00 H new ATOM 0 HB2 GLN A 44 0.341 1.225 11.535 1.00 0.00 H new ATOM 0 HB3 GLN A 44 0.177 2.709 10.617 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -1.919 0.485 10.642 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -1.984 1.902 11.672 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -3.989 1.302 9.694 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -3.907 2.553 8.449 1.00 0.00 H new ATOM 743 N LEU A 45 -1.399 0.142 8.108 1.00 0.00 N ATOM 744 CA LEU A 45 -2.219 -0.864 7.461 1.00 0.00 C ATOM 745 C LEU A 45 -1.338 -1.692 6.535 1.00 0.00 C ATOM 746 O LEU A 45 -1.368 -2.925 6.554 1.00 0.00 O ATOM 747 CB LEU A 45 -3.362 -0.188 6.676 1.00 0.00 C ATOM 748 CG LEU A 45 -4.520 -1.172 6.396 1.00 0.00 C ATOM 749 CD1 LEU A 45 -4.155 -2.124 5.259 1.00 0.00 C ATOM 750 CD2 LEU A 45 -4.872 -1.976 7.656 1.00 0.00 C ATOM 0 H LEU A 45 -1.657 1.105 7.891 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.668 -1.519 8.208 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.737 0.665 7.241 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.977 0.199 5.733 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.391 -0.587 6.101 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.984 -2.809 5.078 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.954 -1.550 4.354 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.267 -2.694 5.532 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.690 -2.662 7.434 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.000 -2.544 7.980 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.176 -1.294 8.450 1.00 0.00 H new ATOM 762 N ALA A 46 -0.474 -1.007 5.802 1.00 0.00 N ATOM 763 CA ALA A 46 0.481 -1.677 4.938 1.00 0.00 C ATOM 764 C ALA A 46 1.425 -2.541 5.769 1.00 0.00 C ATOM 765 O ALA A 46 1.689 -3.693 5.423 1.00 0.00 O ATOM 766 CB ALA A 46 1.272 -0.657 4.112 1.00 0.00 C ATOM 0 H ALA A 46 -0.416 0.011 5.789 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.066 -2.320 4.249 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.982 -1.180 3.471 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.585 -0.077 3.495 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.812 0.013 4.781 1.00 0.00 H new ATOM 772 N LEU A 47 1.856 -2.014 6.912 1.00 0.00 N ATOM 773 CA LEU A 47 2.690 -2.772 7.836 1.00 0.00 C ATOM 774 C LEU A 47 1.919 -3.971 8.340 1.00 0.00 C ATOM 775 O LEU A 47 2.439 -5.089 8.367 1.00 0.00 O ATOM 776 CB LEU A 47 3.140 -1.907 9.024 1.00 0.00 C ATOM 777 CG LEU A 47 4.132 -0.826 8.557 1.00 0.00 C ATOM 778 CD1 LEU A 47 4.459 0.118 9.719 1.00 0.00 C ATOM 779 CD2 LEU A 47 5.423 -1.486 8.063 1.00 0.00 C ATOM 0 H LEU A 47 1.641 -1.065 7.219 1.00 0.00 H new ATOM 0 HA LEU A 47 3.582 -3.100 7.302 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.273 -1.437 9.489 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.607 -2.535 9.783 1.00 0.00 H new ATOM 0 HG LEU A 47 3.679 -0.258 7.745 1.00 0.00 H new ATOM 0 HD11 LEU A 47 5.161 0.880 9.382 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.544 0.596 10.068 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.905 -0.450 10.535 1.00 0.00 H new ATOM 0 HD21 LEU A 47 6.122 -0.717 7.734 1.00 0.00 H new ATOM 0 HD22 LEU A 47 5.871 -2.060 8.874 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.196 -2.151 7.230 1.00 0.00 H new ATOM 791 N LYS A 48 0.645 -3.761 8.648 1.00 0.00 N ATOM 792 CA LYS A 48 -0.205 -4.859 9.064 1.00 0.00 C ATOM 793 C LYS A 48 -0.261 -5.887 7.953 1.00 0.00 C ATOM 794 O LYS A 48 -0.086 -7.085 8.191 1.00 0.00 O ATOM 795 CB LYS A 48 -1.634 -4.346 9.328 1.00 0.00 C ATOM 796 CG LYS A 48 -1.706 -3.508 10.618 1.00 0.00 C ATOM 797 CD LYS A 48 -3.107 -2.869 10.726 1.00 0.00 C ATOM 798 CE LYS A 48 -3.496 -2.650 12.195 1.00 0.00 C ATOM 799 NZ LYS A 48 -4.315 -3.800 12.653 1.00 0.00 N ATOM 0 H LYS A 48 0.186 -2.851 8.617 1.00 0.00 H new ATOM 0 HA LYS A 48 0.200 -5.300 9.975 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -1.967 -3.743 8.483 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.317 -5.192 9.405 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -1.511 -4.137 11.487 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.939 -2.734 10.607 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -3.119 -1.916 10.196 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -3.843 -3.512 10.242 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -2.602 -2.555 12.811 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -4.057 -1.722 12.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -4.738 -3.579 13.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -5.070 -3.985 11.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -3.712 -4.643 12.741 1.00 0.00 H new ATOM 813 N ILE A 49 -0.441 -5.412 6.730 1.00 0.00 N ATOM 814 CA ILE A 49 -0.465 -6.300 5.585 1.00 0.00 C ATOM 815 C ILE A 49 0.895 -6.953 5.397 1.00 0.00 C ATOM 816 O ILE A 49 0.993 -8.169 5.253 1.00 0.00 O ATOM 817 CB ILE A 49 -0.881 -5.517 4.325 1.00 0.00 C ATOM 818 CG1 ILE A 49 -2.332 -5.053 4.476 1.00 0.00 C ATOM 819 CG2 ILE A 49 -0.783 -6.410 3.082 1.00 0.00 C ATOM 820 CD1 ILE A 49 -2.691 -4.114 3.322 1.00 0.00 C ATOM 0 H ILE A 49 -0.571 -4.425 6.509 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.197 -7.089 5.758 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.215 -4.662 4.210 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -3.001 -5.913 4.480 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -2.464 -4.542 5.429 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -1.080 -5.841 2.201 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.244 -6.755 2.962 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.443 -7.270 3.199 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -3.724 -3.784 3.430 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.030 -3.248 3.338 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.575 -4.641 2.375 1.00 0.00 H new ATOM 832 N ALA A 50 1.942 -6.147 5.469 1.00 0.00 N ATOM 833 CA ALA A 50 3.302 -6.639 5.305 1.00 0.00 C ATOM 834 C ALA A 50 3.655 -7.612 6.404 1.00 0.00 C ATOM 835 O ALA A 50 4.298 -8.634 6.158 1.00 0.00 O ATOM 836 CB ALA A 50 4.290 -5.477 5.307 1.00 0.00 C ATOM 0 H ALA A 50 1.876 -5.144 5.641 1.00 0.00 H new ATOM 0 HA ALA A 50 3.362 -7.157 4.348 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.303 -5.860 5.184 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.056 -4.799 4.486 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.218 -4.940 6.253 1.00 0.00 H new ATOM 842 N TYR A 51 3.221 -7.304 7.614 1.00 0.00 N ATOM 843 CA TYR A 51 3.510 -8.152 8.755 1.00 0.00 C ATOM 844 C TYR A 51 2.965 -9.544 8.523 1.00 0.00 C ATOM 845 O TYR A 51 3.698 -10.528 8.620 1.00 0.00 O ATOM 846 CB TYR A 51 2.868 -7.553 10.014 1.00 0.00 C ATOM 847 CG TYR A 51 2.985 -8.521 11.171 1.00 0.00 C ATOM 848 CD1 TYR A 51 4.146 -8.559 11.947 1.00 0.00 C ATOM 849 CD2 TYR A 51 1.920 -9.380 11.463 1.00 0.00 C ATOM 850 CE1 TYR A 51 4.240 -9.459 13.016 1.00 0.00 C ATOM 851 CE2 TYR A 51 2.016 -10.276 12.529 1.00 0.00 C ATOM 852 CZ TYR A 51 3.174 -10.317 13.304 1.00 0.00 C ATOM 853 OH TYR A 51 3.260 -11.204 14.352 1.00 0.00 O ATOM 0 H TYR A 51 2.668 -6.474 7.830 1.00 0.00 H new ATOM 0 HA TYR A 51 4.590 -8.212 8.887 1.00 0.00 H new ATOM 0 HB2 TYR A 51 3.356 -6.612 10.267 1.00 0.00 H new ATOM 0 HB3 TYR A 51 1.819 -7.327 9.824 1.00 0.00 H new ATOM 0 HD1 TYR A 51 4.969 -7.896 11.723 1.00 0.00 H new ATOM 0 HD2 TYR A 51 1.023 -9.350 10.863 1.00 0.00 H new ATOM 0 HE1 TYR A 51 5.136 -9.490 13.618 1.00 0.00 H new ATOM 0 HE2 TYR A 51 1.193 -10.938 12.753 1.00 0.00 H new ATOM 0 HH TYR A 51 2.430 -11.722 14.411 1.00 0.00 H new ATOM 863 N TYR A 52 1.701 -9.625 8.152 1.00 0.00 N ATOM 864 CA TYR A 52 1.101 -10.910 7.831 1.00 0.00 C ATOM 865 C TYR A 52 1.631 -11.445 6.519 1.00 0.00 C ATOM 866 O TYR A 52 1.894 -12.636 6.380 1.00 0.00 O ATOM 867 CB TYR A 52 -0.425 -10.843 7.863 1.00 0.00 C ATOM 868 CG TYR A 52 -0.830 -10.651 9.305 1.00 0.00 C ATOM 869 CD1 TYR A 52 -0.693 -11.707 10.216 1.00 0.00 C ATOM 870 CD2 TYR A 52 -1.314 -9.417 9.738 1.00 0.00 C ATOM 871 CE1 TYR A 52 -1.035 -11.525 11.556 1.00 0.00 C ATOM 872 CE2 TYR A 52 -1.662 -9.240 11.075 1.00 0.00 C ATOM 873 CZ TYR A 52 -1.521 -10.290 11.984 1.00 0.00 C ATOM 874 OH TYR A 52 -1.852 -10.104 13.307 1.00 0.00 O ATOM 0 H TYR A 52 1.073 -8.826 8.065 1.00 0.00 H new ATOM 0 HA TYR A 52 1.393 -11.620 8.605 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -0.788 -10.019 7.248 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -0.859 -11.758 7.459 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -0.322 -12.664 9.880 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -1.419 -8.601 9.039 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -0.924 -12.337 12.259 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -2.043 -8.286 11.410 1.00 0.00 H new ATOM 0 HH TYR A 52 -2.173 -9.187 13.438 1.00 0.00 H new ATOM 884 N LEU A 53 1.842 -10.552 5.571 1.00 0.00 N ATOM 885 CA LEU A 53 2.419 -10.928 4.293 1.00 0.00 C ATOM 886 C LEU A 53 3.839 -11.421 4.413 1.00 0.00 C ATOM 887 O LEU A 53 4.323 -12.121 3.523 1.00 0.00 O ATOM 888 CB LEU A 53 2.302 -9.821 3.241 1.00 0.00 C ATOM 889 CG LEU A 53 1.022 -10.024 2.413 1.00 0.00 C ATOM 890 CD1 LEU A 53 1.295 -11.101 1.376 1.00 0.00 C ATOM 891 CD2 LEU A 53 -0.147 -10.480 3.302 1.00 0.00 C ATOM 0 H LEU A 53 1.623 -9.560 5.661 1.00 0.00 H new ATOM 0 HA LEU A 53 1.819 -11.768 3.943 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.281 -8.845 3.727 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.175 -9.833 2.588 1.00 0.00 H new ATOM 0 HG LEU A 53 0.750 -9.079 1.943 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.400 -11.263 0.775 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.113 -10.784 0.729 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.568 -12.029 1.878 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.038 -10.615 2.690 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.109 -11.424 3.784 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.341 -9.725 4.063 1.00 0.00 H new ATOM 903 N ASN A 54 4.560 -10.940 5.406 1.00 0.00 N ATOM 904 CA ASN A 54 5.977 -11.278 5.538 1.00 0.00 C ATOM 905 C ASN A 54 6.684 -10.835 4.276 1.00 0.00 C ATOM 906 O ASN A 54 7.521 -11.554 3.727 1.00 0.00 O ATOM 907 CB ASN A 54 6.149 -12.803 5.705 1.00 0.00 C ATOM 908 CG ASN A 54 5.614 -13.291 7.056 1.00 0.00 C ATOM 909 OD1 ASN A 54 5.363 -12.448 8.008 1.00 0.00 O flip ATOM 910 ND2 ASN A 54 5.409 -14.498 7.243 1.00 0.00 N flip ATOM 0 H ASN A 54 4.200 -10.319 6.131 1.00 0.00 H new ATOM 0 HA ASN A 54 6.395 -10.781 6.413 1.00 0.00 H new ATOM 0 HB2 ASN A 54 5.626 -13.318 4.899 1.00 0.00 H new ATOM 0 HB3 ASN A 54 7.204 -13.062 5.617 1.00 0.00 H new ATOM 0 HD21 ASN A 54 5.603 -15.169 6.500 1.00 0.00 H new ATOM 0 HD22 ASN A 54 5.046 -14.821 8.140 1.00 0.00 H new ATOM 917 N THR A 55 6.225 -9.728 3.742 1.00 0.00 N ATOM 918 CA THR A 55 6.698 -9.233 2.472 1.00 0.00 C ATOM 919 C THR A 55 7.063 -7.756 2.593 1.00 0.00 C ATOM 920 O THR A 55 6.383 -7.002 3.299 1.00 0.00 O ATOM 921 CB THR A 55 5.591 -9.428 1.431 1.00 0.00 C ATOM 922 OG1 THR A 55 5.289 -10.818 1.315 1.00 0.00 O ATOM 923 CG2 THR A 55 6.031 -8.884 0.074 1.00 0.00 C ATOM 0 H THR A 55 5.511 -9.144 4.178 1.00 0.00 H new ATOM 0 HA THR A 55 7.589 -9.780 2.164 1.00 0.00 H new ATOM 0 HB THR A 55 4.704 -8.883 1.754 1.00 0.00 H new ATOM 0 HG1 THR A 55 4.897 -11.139 2.154 1.00 0.00 H new ATOM 0 HG21 THR A 55 5.232 -9.031 -0.653 1.00 0.00 H new ATOM 0 HG22 THR A 55 6.250 -7.820 0.162 1.00 0.00 H new ATOM 0 HG23 THR A 55 6.925 -9.412 -0.257 1.00 0.00 H new ATOM 931 N PRO A 56 8.106 -7.323 1.925 1.00 0.00 N ATOM 932 CA PRO A 56 8.527 -5.895 1.947 1.00 0.00 C ATOM 933 C PRO A 56 7.431 -4.999 1.401 1.00 0.00 C ATOM 934 O PRO A 56 6.710 -5.379 0.473 1.00 0.00 O ATOM 935 CB PRO A 56 9.758 -5.859 1.023 1.00 0.00 C ATOM 936 CG PRO A 56 10.246 -7.266 0.990 1.00 0.00 C ATOM 937 CD PRO A 56 9.001 -8.134 1.078 1.00 0.00 C ATOM 0 HA PRO A 56 8.740 -5.538 2.955 1.00 0.00 H new ATOM 0 HB2 PRO A 56 9.494 -5.508 0.025 1.00 0.00 H new ATOM 0 HB3 PRO A 56 10.522 -5.183 1.407 1.00 0.00 H new ATOM 0 HG2 PRO A 56 10.800 -7.467 0.073 1.00 0.00 H new ATOM 0 HG3 PRO A 56 10.922 -7.466 1.821 1.00 0.00 H new ATOM 0 HD2 PRO A 56 8.568 -8.324 0.096 1.00 0.00 H new ATOM 0 HD3 PRO A 56 9.214 -9.105 1.526 1.00 0.00 H new ATOM 945 N LEU A 57 7.352 -3.793 1.918 1.00 0.00 N ATOM 946 CA LEU A 57 6.380 -2.840 1.427 1.00 0.00 C ATOM 947 C LEU A 57 6.642 -2.575 -0.030 1.00 0.00 C ATOM 948 O LEU A 57 5.721 -2.456 -0.825 1.00 0.00 O ATOM 949 CB LEU A 57 6.427 -1.532 2.224 1.00 0.00 C ATOM 950 CG LEU A 57 5.582 -1.651 3.507 1.00 0.00 C ATOM 951 CD1 LEU A 57 4.096 -1.621 3.154 1.00 0.00 C ATOM 952 CD2 LEU A 57 5.900 -2.952 4.243 1.00 0.00 C ATOM 0 H LEU A 57 7.945 -3.450 2.674 1.00 0.00 H new ATOM 0 HA LEU A 57 5.383 -3.262 1.551 1.00 0.00 H new ATOM 0 HB2 LEU A 57 7.459 -1.293 2.482 1.00 0.00 H new ATOM 0 HB3 LEU A 57 6.054 -0.712 1.611 1.00 0.00 H new ATOM 0 HG LEU A 57 5.823 -0.809 4.156 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.504 -1.706 4.065 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.860 -0.682 2.654 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.863 -2.454 2.491 1.00 0.00 H new ATOM 0 HD21 LEU A 57 5.293 -3.017 5.146 1.00 0.00 H new ATOM 0 HD22 LEU A 57 5.678 -3.800 3.595 1.00 0.00 H new ATOM 0 HD23 LEU A 57 6.956 -2.968 4.514 1.00 0.00 H new ATOM 964 N GLU A 58 7.906 -2.505 -0.378 1.00 0.00 N ATOM 965 CA GLU A 58 8.307 -2.247 -1.740 1.00 0.00 C ATOM 966 C GLU A 58 7.680 -3.277 -2.685 1.00 0.00 C ATOM 967 O GLU A 58 7.283 -2.947 -3.807 1.00 0.00 O ATOM 968 CB GLU A 58 9.836 -2.300 -1.864 1.00 0.00 C ATOM 969 CG GLU A 58 10.490 -1.323 -0.874 1.00 0.00 C ATOM 970 CD GLU A 58 10.716 -2.002 0.464 1.00 0.00 C ATOM 971 OE1 GLU A 58 9.797 -2.039 1.250 1.00 0.00 O ATOM 972 OE2 GLU A 58 11.808 -2.477 0.689 1.00 0.00 O ATOM 0 H GLU A 58 8.682 -2.625 0.273 1.00 0.00 H new ATOM 0 HA GLU A 58 7.960 -1.252 -2.017 1.00 0.00 H new ATOM 0 HB2 GLU A 58 10.188 -3.313 -1.670 1.00 0.00 H new ATOM 0 HB3 GLU A 58 10.133 -2.049 -2.882 1.00 0.00 H new ATOM 0 HG2 GLU A 58 11.440 -0.970 -1.275 1.00 0.00 H new ATOM 0 HG3 GLU A 58 9.854 -0.448 -0.742 1.00 0.00 H new ATOM 979 N ASP A 59 7.600 -4.524 -2.239 1.00 0.00 N ATOM 980 CA ASP A 59 7.008 -5.578 -3.061 1.00 0.00 C ATOM 981 C ASP A 59 5.548 -5.292 -3.335 1.00 0.00 C ATOM 982 O ASP A 59 5.058 -5.502 -4.446 1.00 0.00 O ATOM 983 CB ASP A 59 7.117 -6.943 -2.365 1.00 0.00 C ATOM 984 CG ASP A 59 8.444 -7.617 -2.639 1.00 0.00 C ATOM 985 OD1 ASP A 59 9.358 -6.954 -3.089 1.00 0.00 O ATOM 986 OD2 ASP A 59 8.529 -8.805 -2.421 1.00 0.00 O ATOM 0 H ASP A 59 7.932 -4.831 -1.325 1.00 0.00 H new ATOM 0 HA ASP A 59 7.559 -5.602 -4.001 1.00 0.00 H new ATOM 0 HB2 ASP A 59 6.992 -6.812 -1.290 1.00 0.00 H new ATOM 0 HB3 ASP A 59 6.306 -7.588 -2.704 1.00 0.00 H new ATOM 991 N ILE A 60 4.839 -4.885 -2.301 1.00 0.00 N ATOM 992 CA ILE A 60 3.403 -4.662 -2.397 1.00 0.00 C ATOM 993 C ILE A 60 3.070 -3.219 -2.785 1.00 0.00 C ATOM 994 O ILE A 60 2.186 -2.977 -3.624 1.00 0.00 O ATOM 995 CB ILE A 60 2.716 -5.057 -1.074 1.00 0.00 C ATOM 996 CG1 ILE A 60 3.294 -4.238 0.088 1.00 0.00 C ATOM 997 CG2 ILE A 60 2.961 -6.547 -0.790 1.00 0.00 C ATOM 998 CD1 ILE A 60 2.480 -4.509 1.357 1.00 0.00 C ATOM 0 H ILE A 60 5.233 -4.700 -1.378 1.00 0.00 H new ATOM 0 HA ILE A 60 3.018 -5.297 -3.195 1.00 0.00 H new ATOM 0 HB ILE A 60 1.648 -4.861 -1.166 1.00 0.00 H new ATOM 0 HG12 ILE A 60 4.339 -4.503 0.250 1.00 0.00 H new ATOM 0 HG13 ILE A 60 3.268 -3.175 -0.154 1.00 0.00 H new ATOM 0 HG21 ILE A 60 2.475 -6.824 0.145 1.00 0.00 H new ATOM 0 HG22 ILE A 60 2.550 -7.145 -1.604 1.00 0.00 H new ATOM 0 HG23 ILE A 60 4.032 -6.731 -0.710 1.00 0.00 H new ATOM 0 HD11 ILE A 60 2.890 -3.928 2.183 1.00 0.00 H new ATOM 0 HD12 ILE A 60 1.442 -4.222 1.191 1.00 0.00 H new ATOM 0 HD13 ILE A 60 2.529 -5.570 1.601 1.00 0.00 H new ATOM 1010 N PHE A 61 3.796 -2.275 -2.207 1.00 0.00 N ATOM 1011 CA PHE A 61 3.606 -0.866 -2.498 1.00 0.00 C ATOM 1012 C PHE A 61 4.940 -0.203 -2.794 1.00 0.00 C ATOM 1013 O PHE A 61 5.416 0.638 -2.016 1.00 0.00 O ATOM 1014 CB PHE A 61 2.916 -0.157 -1.321 1.00 0.00 C ATOM 1015 CG PHE A 61 1.522 -0.716 -1.131 1.00 0.00 C ATOM 1016 CD1 PHE A 61 0.502 -0.369 -2.025 1.00 0.00 C ATOM 1017 CD2 PHE A 61 1.251 -1.590 -0.068 1.00 0.00 C ATOM 1018 CE1 PHE A 61 -0.785 -0.886 -1.855 1.00 0.00 C ATOM 1019 CE2 PHE A 61 -0.038 -2.109 0.100 1.00 0.00 C ATOM 1020 CZ PHE A 61 -1.056 -1.757 -0.794 1.00 0.00 C ATOM 0 H PHE A 61 4.531 -2.465 -1.525 1.00 0.00 H new ATOM 0 HA PHE A 61 2.967 -0.782 -3.377 1.00 0.00 H new ATOM 0 HB2 PHE A 61 3.499 -0.293 -0.410 1.00 0.00 H new ATOM 0 HB3 PHE A 61 2.865 0.915 -1.510 1.00 0.00 H new ATOM 0 HD1 PHE A 61 0.710 0.299 -2.847 1.00 0.00 H new ATOM 0 HD2 PHE A 61 2.037 -1.863 0.621 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -1.571 -0.613 -2.543 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -0.247 -2.781 0.919 1.00 0.00 H new ATOM 0 HZ PHE A 61 -2.051 -2.158 -0.665 1.00 0.00 H new