USER MOD reduce.3.24.130724 H: found=0, std=0, add=585, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 588 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 68 GLN : amide:sc= -0.262 K(o=-0.26,f=-3.3!) USER MOD Set 2.1: A 12 ASN : amide:sc= -5! C(o=-5.1!,f=-9.4!) USER MOD Set 2.2: A 13 THR OG1 : rot -150:sc= -0.0862 USER MOD Single : A 3 GLN : amide:sc= -0.739 K(o=-0.74,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 30:sc= 0 USER MOD Single : A 10 THR OG1 : rot 26:sc= 0.0814 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -3.57! C(o=-3.6!,f=-3.8!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 161:sc= -0.0949 (180deg=-0.464) USER MOD Single : A 32 SER OG : rot 108:sc= 1.24 USER MOD Single : A 33 ASN : amide:sc= -0.438 K(o=-0.44,f=-1.5) USER MOD Single : A 35 SER OG : rot 180:sc= 0.176 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 MET CE :methyl -157:sc= -0.0295 (180deg=-0.628) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl -144:sc= -1.66 (180deg=-4.43!) USER MOD Single : A 45 ASN : amide:sc= -0.0104 K(o=-0.01,f=-2.4) USER MOD Single : A 49 TYR OH : rot -34:sc= -4.85! USER MOD Single : A 50 SER OG : rot 160:sc= -0.014 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0.213 USER MOD Single : A 58 LYS NZ :NH3+ -159:sc= 0.722 (180deg=0.0255!) USER MOD Single : A 59 LYS NZ :NH3+ -133:sc= 0.546 (180deg=0.104) USER MOD Single : A 60 GLN : amide:sc= -0.106 X(o=-0.11,f=-0.0035) USER MOD Single : A 63 ASN : amide:sc= -0.0692 K(o=-0.069,f=-2.2!) USER MOD Single : A 65 TYR OH : rot -142:sc= 0.837 USER MOD Single : A 66 LYS NZ :NH3+ 163:sc= 0.489 (180deg=0.273) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 3 13.264 -14.116 0.359 1.00 0.00 N ATOM 2 CA GLN A 3 12.780 -15.321 1.092 1.00 0.00 C ATOM 3 C GLN A 3 12.151 -16.318 0.117 1.00 0.00 C ATOM 4 O GLN A 3 11.726 -15.950 -0.961 1.00 0.00 O ATOM 5 CB GLN A 3 11.730 -14.795 2.072 1.00 0.00 C ATOM 6 CG GLN A 3 12.393 -14.486 3.416 1.00 0.00 C ATOM 7 CD GLN A 3 11.433 -13.672 4.286 1.00 0.00 C ATOM 8 OE1 GLN A 3 11.858 -12.956 5.171 1.00 0.00 O ATOM 9 NE2 GLN A 3 10.149 -13.753 4.072 1.00 0.00 N ATOM 0 HA GLN A 3 13.588 -15.844 1.603 1.00 0.00 H new ATOM 0 HB2 GLN A 3 11.261 -13.896 1.671 1.00 0.00 H new ATOM 0 HB3 GLN A 3 10.940 -15.534 2.206 1.00 0.00 H new ATOM 0 HG2 GLN A 3 12.662 -15.413 3.922 1.00 0.00 H new ATOM 0 HG3 GLN A 3 13.317 -13.930 3.258 1.00 0.00 H new ATOM 0 HE21 GLN A 3 9.793 -14.354 3.329 1.00 0.00 H new ATOM 0 HE22 GLN A 3 9.501 -13.215 4.648 1.00 0.00 H new ATOM 20 N PRO A 4 12.110 -17.554 0.534 1.00 0.00 N ATOM 21 CA PRO A 4 11.524 -18.624 -0.309 1.00 0.00 C ATOM 22 C PRO A 4 10.001 -18.483 -0.363 1.00 0.00 C ATOM 23 O PRO A 4 9.270 -19.399 -0.040 1.00 0.00 O ATOM 24 CB PRO A 4 11.927 -19.908 0.411 1.00 0.00 C ATOM 25 CG PRO A 4 12.141 -19.503 1.834 1.00 0.00 C ATOM 26 CD PRO A 4 12.599 -18.067 1.819 1.00 0.00 C ATOM 0 HA PRO A 4 11.869 -18.596 -1.342 1.00 0.00 H new ATOM 0 HB2 PRO A 4 11.149 -20.667 0.329 1.00 0.00 H new ATOM 0 HB3 PRO A 4 12.834 -20.334 -0.019 1.00 0.00 H new ATOM 0 HG2 PRO A 4 11.220 -19.608 2.408 1.00 0.00 H new ATOM 0 HG3 PRO A 4 12.887 -20.141 2.309 1.00 0.00 H new ATOM 0 HD2 PRO A 4 12.184 -17.507 2.657 1.00 0.00 H new ATOM 0 HD3 PRO A 4 13.684 -17.993 1.892 1.00 0.00 H new ATOM 34 N ALA A 5 9.516 -17.341 -0.768 1.00 0.00 N ATOM 35 CA ALA A 5 8.040 -17.142 -0.841 1.00 0.00 C ATOM 36 C ALA A 5 7.716 -15.790 -1.480 1.00 0.00 C ATOM 37 O ALA A 5 6.864 -15.686 -2.340 1.00 0.00 O ATOM 38 CB ALA A 5 7.566 -17.179 0.612 1.00 0.00 C ATOM 0 H ALA A 5 10.077 -16.538 -1.051 1.00 0.00 H new ATOM 0 HA ALA A 5 7.550 -17.902 -1.450 1.00 0.00 H new ATOM 0 HB1 ALA A 5 6.486 -17.039 0.646 1.00 0.00 H new ATOM 0 HB2 ALA A 5 7.821 -18.142 1.054 1.00 0.00 H new ATOM 0 HB3 ALA A 5 8.053 -16.382 1.174 1.00 0.00 H new ATOM 44 N LYS A 6 8.391 -14.757 -1.068 1.00 0.00 N ATOM 45 CA LYS A 6 8.126 -13.410 -1.651 1.00 0.00 C ATOM 46 C LYS A 6 9.377 -12.534 -1.549 1.00 0.00 C ATOM 47 O LYS A 6 9.960 -12.385 -0.494 1.00 0.00 O ATOM 48 CB LYS A 6 6.993 -12.827 -0.805 1.00 0.00 C ATOM 49 CG LYS A 6 5.700 -12.809 -1.624 1.00 0.00 C ATOM 50 CD LYS A 6 4.887 -14.070 -1.325 1.00 0.00 C ATOM 51 CE LYS A 6 3.796 -13.746 -0.302 1.00 0.00 C ATOM 52 NZ LYS A 6 3.610 -15.005 0.473 1.00 0.00 N ATOM 0 H LYS A 6 9.117 -14.784 -0.352 1.00 0.00 H new ATOM 0 HA LYS A 6 7.860 -13.463 -2.707 1.00 0.00 H new ATOM 0 HB2 LYS A 6 6.856 -13.422 0.098 1.00 0.00 H new ATOM 0 HB3 LYS A 6 7.247 -11.817 -0.485 1.00 0.00 H new ATOM 0 HG2 LYS A 6 5.116 -11.921 -1.381 1.00 0.00 H new ATOM 0 HG3 LYS A 6 5.932 -12.757 -2.688 1.00 0.00 H new ATOM 0 HD2 LYS A 6 4.438 -14.452 -2.242 1.00 0.00 H new ATOM 0 HD3 LYS A 6 5.540 -14.853 -0.940 1.00 0.00 H new ATOM 0 HE2 LYS A 6 4.095 -12.923 0.347 1.00 0.00 H new ATOM 0 HE3 LYS A 6 2.871 -13.444 -0.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 2.876 -14.862 1.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 3.319 -15.769 -0.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 4.505 -15.264 0.935 1.00 0.00 H new ATOM 66 N LYS A 7 9.795 -11.952 -2.641 1.00 0.00 N ATOM 67 CA LYS A 7 11.009 -11.085 -2.608 1.00 0.00 C ATOM 68 C LYS A 7 10.628 -9.662 -2.194 1.00 0.00 C ATOM 69 O LYS A 7 9.726 -9.066 -2.747 1.00 0.00 O ATOM 70 CB LYS A 7 11.548 -11.105 -4.038 1.00 0.00 C ATOM 71 CG LYS A 7 11.913 -12.538 -4.425 1.00 0.00 C ATOM 72 CD LYS A 7 13.109 -12.522 -5.379 1.00 0.00 C ATOM 73 CE LYS A 7 14.407 -12.571 -4.571 1.00 0.00 C ATOM 74 NZ LYS A 7 15.263 -13.561 -5.282 1.00 0.00 N ATOM 0 H LYS A 7 9.349 -12.039 -3.554 1.00 0.00 H new ATOM 0 HA LYS A 7 11.750 -11.436 -1.890 1.00 0.00 H new ATOM 0 HB2 LYS A 7 10.800 -10.711 -4.726 1.00 0.00 H new ATOM 0 HB3 LYS A 7 12.424 -10.461 -4.117 1.00 0.00 H new ATOM 0 HG2 LYS A 7 12.154 -13.116 -3.533 1.00 0.00 H new ATOM 0 HG3 LYS A 7 11.062 -13.025 -4.901 1.00 0.00 H new ATOM 0 HD2 LYS A 7 13.058 -13.374 -6.057 1.00 0.00 H new ATOM 0 HD3 LYS A 7 13.085 -11.623 -5.994 1.00 0.00 H new ATOM 0 HE2 LYS A 7 14.885 -11.592 -4.531 1.00 0.00 H new ATOM 0 HE3 LYS A 7 14.220 -12.877 -3.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 16.174 -13.651 -4.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 14.785 -14.485 -5.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 15.429 -13.240 -6.257 1.00 0.00 H new ATOM 88 N THR A 8 11.307 -9.116 -1.221 1.00 0.00 N ATOM 89 CA THR A 8 10.982 -7.733 -0.765 1.00 0.00 C ATOM 90 C THR A 8 11.865 -6.707 -1.480 1.00 0.00 C ATOM 91 O THR A 8 13.076 -6.770 -1.418 1.00 0.00 O ATOM 92 CB THR A 8 11.281 -7.737 0.734 1.00 0.00 C ATOM 93 OG1 THR A 8 10.959 -9.011 1.275 1.00 0.00 O ATOM 94 CG2 THR A 8 10.446 -6.661 1.428 1.00 0.00 C ATOM 0 H THR A 8 12.073 -9.568 -0.722 1.00 0.00 H new ATOM 0 HA THR A 8 9.949 -7.462 -0.982 1.00 0.00 H new ATOM 0 HB THR A 8 12.339 -7.529 0.893 1.00 0.00 H new ATOM 0 HG1 THR A 8 11.152 -9.017 2.236 1.00 0.00 H new ATOM 0 HG21 THR A 8 10.661 -6.666 2.497 1.00 0.00 H new ATOM 0 HG22 THR A 8 10.694 -5.684 1.013 1.00 0.00 H new ATOM 0 HG23 THR A 8 9.387 -6.864 1.270 1.00 0.00 H new ATOM 102 N TYR A 9 11.270 -5.756 -2.153 1.00 0.00 N ATOM 103 CA TYR A 9 12.092 -4.729 -2.857 1.00 0.00 C ATOM 104 C TYR A 9 12.613 -3.712 -1.840 1.00 0.00 C ATOM 105 O TYR A 9 12.130 -3.631 -0.728 1.00 0.00 O ATOM 106 CB TYR A 9 11.169 -4.027 -3.860 1.00 0.00 C ATOM 107 CG TYR A 9 10.213 -4.997 -4.519 1.00 0.00 C ATOM 108 CD1 TYR A 9 10.497 -6.369 -4.574 1.00 0.00 C ATOM 109 CD2 TYR A 9 9.036 -4.506 -5.095 1.00 0.00 C ATOM 110 CE1 TYR A 9 9.602 -7.243 -5.203 1.00 0.00 C ATOM 111 CE2 TYR A 9 8.142 -5.379 -5.721 1.00 0.00 C ATOM 112 CZ TYR A 9 8.423 -6.748 -5.777 1.00 0.00 C ATOM 113 OH TYR A 9 7.542 -7.610 -6.396 1.00 0.00 O ATOM 0 H TYR A 9 10.260 -5.647 -2.245 1.00 0.00 H new ATOM 0 HA TYR A 9 12.943 -5.184 -3.363 1.00 0.00 H new ATOM 0 HB2 TYR A 9 10.602 -3.249 -3.349 1.00 0.00 H new ATOM 0 HB3 TYR A 9 11.770 -3.534 -4.624 1.00 0.00 H new ATOM 0 HD1 TYR A 9 11.405 -6.751 -4.132 1.00 0.00 H new ATOM 0 HD2 TYR A 9 8.818 -3.449 -5.056 1.00 0.00 H new ATOM 0 HE1 TYR A 9 9.820 -8.300 -5.246 1.00 0.00 H new ATOM 0 HE2 TYR A 9 7.233 -4.996 -6.162 1.00 0.00 H new ATOM 0 HH TYR A 9 7.595 -8.492 -5.972 1.00 0.00 H new ATOM 123 N THR A 10 13.586 -2.931 -2.211 1.00 0.00 N ATOM 124 CA THR A 10 14.123 -1.918 -1.259 1.00 0.00 C ATOM 125 C THR A 10 13.714 -0.513 -1.710 1.00 0.00 C ATOM 126 O THR A 10 13.764 -0.187 -2.879 1.00 0.00 O ATOM 127 CB THR A 10 15.639 -2.092 -1.313 1.00 0.00 C ATOM 128 OG1 THR A 10 16.102 -1.815 -2.626 1.00 0.00 O ATOM 129 CG2 THR A 10 15.988 -3.531 -0.936 1.00 0.00 C ATOM 0 H THR A 10 14.032 -2.948 -3.128 1.00 0.00 H new ATOM 0 HA THR A 10 13.741 -2.047 -0.246 1.00 0.00 H new ATOM 0 HB THR A 10 16.115 -1.404 -0.614 1.00 0.00 H new ATOM 0 HG1 THR A 10 15.481 -1.199 -3.069 1.00 0.00 H new ATOM 0 HG21 THR A 10 17.069 -3.665 -0.972 1.00 0.00 H new ATOM 0 HG22 THR A 10 15.630 -3.740 0.072 1.00 0.00 H new ATOM 0 HG23 THR A 10 15.514 -4.216 -1.639 1.00 0.00 H new ATOM 137 N TRP A 11 13.297 0.315 -0.793 1.00 0.00 N ATOM 138 CA TRP A 11 12.871 1.692 -1.171 1.00 0.00 C ATOM 139 C TRP A 11 13.765 2.739 -0.499 1.00 0.00 C ATOM 140 O TRP A 11 13.952 2.733 0.702 1.00 0.00 O ATOM 141 CB TRP A 11 11.434 1.807 -0.662 1.00 0.00 C ATOM 142 CG TRP A 11 10.511 1.114 -1.615 1.00 0.00 C ATOM 143 CD1 TRP A 11 9.958 1.685 -2.708 1.00 0.00 C ATOM 144 CD2 TRP A 11 10.025 -0.261 -1.580 1.00 0.00 C ATOM 145 NE1 TRP A 11 9.161 0.751 -3.345 1.00 0.00 N ATOM 146 CE2 TRP A 11 9.171 -0.464 -2.689 1.00 0.00 C ATOM 147 CE3 TRP A 11 10.238 -1.341 -0.704 1.00 0.00 C ATOM 148 CZ2 TRP A 11 8.551 -1.691 -2.921 1.00 0.00 C ATOM 149 CZ3 TRP A 11 9.616 -2.580 -0.936 1.00 0.00 C ATOM 150 CH2 TRP A 11 8.774 -2.753 -2.042 1.00 0.00 C ATOM 0 H TRP A 11 13.233 0.098 0.202 1.00 0.00 H new ATOM 0 HA TRP A 11 12.945 1.865 -2.245 1.00 0.00 H new ATOM 0 HB2 TRP A 11 11.351 1.362 0.330 1.00 0.00 H new ATOM 0 HB3 TRP A 11 11.154 2.856 -0.565 1.00 0.00 H new ATOM 0 HD1 TRP A 11 10.113 2.704 -3.031 1.00 0.00 H new ATOM 0 HE1 TRP A 11 8.630 0.937 -4.196 1.00 0.00 H new ATOM 0 HE3 TRP A 11 10.884 -1.217 0.153 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 7.902 -1.819 -3.775 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 9.788 -3.403 -0.258 1.00 0.00 H new ATOM 0 HH2 TRP A 11 8.298 -3.707 -2.215 1.00 0.00 H new ATOM 161 N ASN A 12 14.314 3.642 -1.266 1.00 0.00 N ATOM 162 CA ASN A 12 15.189 4.696 -0.676 1.00 0.00 C ATOM 163 C ASN A 12 14.473 6.048 -0.713 1.00 0.00 C ATOM 164 O ASN A 12 14.698 6.908 0.116 1.00 0.00 O ATOM 165 CB ASN A 12 16.434 4.726 -1.565 1.00 0.00 C ATOM 166 CG ASN A 12 16.014 4.787 -3.034 1.00 0.00 C ATOM 167 OD1 ASN A 12 15.591 5.819 -3.515 1.00 0.00 O ATOM 168 ND2 ASN A 12 16.115 3.715 -3.773 1.00 0.00 N ATOM 0 H ASN A 12 14.194 3.695 -2.278 1.00 0.00 H new ATOM 0 HA ASN A 12 15.440 4.492 0.365 1.00 0.00 H new ATOM 0 HB2 ASN A 12 17.050 5.590 -1.316 1.00 0.00 H new ATOM 0 HB3 ASN A 12 17.042 3.839 -1.387 1.00 0.00 H new ATOM 0 HD21 ASN A 12 15.839 3.744 -4.754 1.00 0.00 H new ATOM 0 HD22 ASN A 12 16.470 2.849 -3.369 1.00 0.00 H new ATOM 175 N THR A 13 13.608 6.239 -1.671 1.00 0.00 N ATOM 176 CA THR A 13 12.870 7.532 -1.769 1.00 0.00 C ATOM 177 C THR A 13 11.414 7.337 -1.341 1.00 0.00 C ATOM 178 O THR A 13 10.847 6.275 -1.500 1.00 0.00 O ATOM 179 CB THR A 13 12.949 7.920 -3.245 1.00 0.00 C ATOM 180 OG1 THR A 13 12.605 6.798 -4.046 1.00 0.00 O ATOM 181 CG2 THR A 13 14.369 8.374 -3.581 1.00 0.00 C ATOM 0 H THR A 13 13.379 5.555 -2.392 1.00 0.00 H new ATOM 0 HA THR A 13 13.292 8.302 -1.123 1.00 0.00 H new ATOM 0 HB THR A 13 12.254 8.736 -3.444 1.00 0.00 H new ATOM 0 HG1 THR A 13 13.080 6.849 -4.902 1.00 0.00 H new ATOM 0 HG21 THR A 13 14.423 8.650 -4.634 1.00 0.00 H new ATOM 0 HG22 THR A 13 14.631 9.235 -2.966 1.00 0.00 H new ATOM 0 HG23 THR A 13 15.067 7.561 -3.383 1.00 0.00 H new ATOM 189 N LYS A 14 10.804 8.354 -0.796 1.00 0.00 N ATOM 190 CA LYS A 14 9.385 8.221 -0.361 1.00 0.00 C ATOM 191 C LYS A 14 8.478 8.007 -1.575 1.00 0.00 C ATOM 192 O LYS A 14 7.479 7.322 -1.500 1.00 0.00 O ATOM 193 CB LYS A 14 9.055 9.544 0.330 1.00 0.00 C ATOM 194 CG LYS A 14 7.615 9.504 0.848 1.00 0.00 C ATOM 195 CD LYS A 14 7.519 8.521 2.016 1.00 0.00 C ATOM 196 CE LYS A 14 8.194 9.124 3.249 1.00 0.00 C ATOM 197 NZ LYS A 14 7.103 9.266 4.252 1.00 0.00 N ATOM 0 H LYS A 14 11.225 9.269 -0.634 1.00 0.00 H new ATOM 0 HA LYS A 14 9.235 7.368 0.301 1.00 0.00 H new ATOM 0 HB2 LYS A 14 9.745 9.717 1.156 1.00 0.00 H new ATOM 0 HB3 LYS A 14 9.179 10.372 -0.368 1.00 0.00 H new ATOM 0 HG2 LYS A 14 7.305 10.498 1.170 1.00 0.00 H new ATOM 0 HG3 LYS A 14 6.938 9.202 0.049 1.00 0.00 H new ATOM 0 HD2 LYS A 14 6.474 8.299 2.233 1.00 0.00 H new ATOM 0 HD3 LYS A 14 7.997 7.578 1.751 1.00 0.00 H new ATOM 0 HE2 LYS A 14 8.990 8.478 3.620 1.00 0.00 H new ATOM 0 HE3 LYS A 14 8.647 10.088 3.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 7.488 9.674 5.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 6.363 9.892 3.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 6.695 8.331 4.456 1.00 0.00 H new ATOM 211 N GLU A 15 8.817 8.589 -2.692 1.00 0.00 N ATOM 212 CA GLU A 15 7.969 8.416 -3.906 1.00 0.00 C ATOM 213 C GLU A 15 7.900 6.938 -4.296 1.00 0.00 C ATOM 214 O GLU A 15 6.840 6.399 -4.542 1.00 0.00 O ATOM 215 CB GLU A 15 8.668 9.231 -4.997 1.00 0.00 C ATOM 216 CG GLU A 15 8.187 8.771 -6.377 1.00 0.00 C ATOM 217 CD GLU A 15 8.394 9.896 -7.392 1.00 0.00 C ATOM 218 OE1 GLU A 15 8.177 11.040 -7.030 1.00 0.00 O ATOM 219 OE2 GLU A 15 8.765 9.594 -8.514 1.00 0.00 O ATOM 0 H GLU A 15 9.642 9.175 -2.817 1.00 0.00 H new ATOM 0 HA GLU A 15 6.943 8.748 -3.746 1.00 0.00 H new ATOM 0 HB2 GLU A 15 8.456 10.292 -4.863 1.00 0.00 H new ATOM 0 HB3 GLU A 15 9.748 9.109 -4.919 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.736 7.882 -6.687 1.00 0.00 H new ATOM 0 HG3 GLU A 15 7.133 8.496 -6.333 1.00 0.00 H new ATOM 226 N GLU A 16 9.023 6.285 -4.356 1.00 0.00 N ATOM 227 CA GLU A 16 9.026 4.844 -4.734 1.00 0.00 C ATOM 228 C GLU A 16 8.296 4.019 -3.673 1.00 0.00 C ATOM 229 O GLU A 16 7.544 3.115 -3.983 1.00 0.00 O ATOM 230 CB GLU A 16 10.503 4.455 -4.807 1.00 0.00 C ATOM 231 CG GLU A 16 11.114 5.017 -6.093 1.00 0.00 C ATOM 232 CD GLU A 16 12.450 4.326 -6.370 1.00 0.00 C ATOM 233 OE1 GLU A 16 13.140 4.010 -5.415 1.00 0.00 O ATOM 234 OE2 GLU A 16 12.761 4.124 -7.533 1.00 0.00 O ATOM 0 H GLU A 16 9.941 6.685 -4.160 1.00 0.00 H new ATOM 0 HA GLU A 16 8.515 4.662 -5.679 1.00 0.00 H new ATOM 0 HB2 GLU A 16 11.036 4.843 -3.939 1.00 0.00 H new ATOM 0 HB3 GLU A 16 10.606 3.370 -4.786 1.00 0.00 H new ATOM 0 HG2 GLU A 16 10.432 4.862 -6.929 1.00 0.00 H new ATOM 0 HG3 GLU A 16 11.262 6.093 -5.998 1.00 0.00 H new ATOM 241 N ALA A 17 8.505 4.326 -2.424 1.00 0.00 N ATOM 242 CA ALA A 17 7.815 3.559 -1.347 1.00 0.00 C ATOM 243 C ALA A 17 6.308 3.817 -1.413 1.00 0.00 C ATOM 244 O ALA A 17 5.504 2.905 -1.373 1.00 0.00 O ATOM 245 CB ALA A 17 8.395 4.098 -0.040 1.00 0.00 C ATOM 0 H ALA A 17 9.121 5.072 -2.101 1.00 0.00 H new ATOM 0 HA ALA A 17 7.963 2.483 -1.441 1.00 0.00 H new ATOM 0 HB1 ALA A 17 7.935 3.581 0.802 1.00 0.00 H new ATOM 0 HB2 ALA A 17 9.472 3.932 -0.024 1.00 0.00 H new ATOM 0 HB3 ALA A 17 8.192 5.166 0.035 1.00 0.00 H new ATOM 251 N LYS A 18 5.920 5.057 -1.532 1.00 0.00 N ATOM 252 CA LYS A 18 4.470 5.377 -1.618 1.00 0.00 C ATOM 253 C LYS A 18 3.908 4.815 -2.922 1.00 0.00 C ATOM 254 O LYS A 18 2.784 4.357 -2.984 1.00 0.00 O ATOM 255 CB LYS A 18 4.402 6.904 -1.619 1.00 0.00 C ATOM 256 CG LYS A 18 3.097 7.357 -0.963 1.00 0.00 C ATOM 257 CD LYS A 18 3.253 8.791 -0.455 1.00 0.00 C ATOM 258 CE LYS A 18 2.433 9.736 -1.335 1.00 0.00 C ATOM 259 NZ LYS A 18 2.912 11.101 -0.983 1.00 0.00 N ATOM 0 H LYS A 18 6.546 5.862 -1.573 1.00 0.00 H new ATOM 0 HA LYS A 18 3.892 4.949 -0.799 1.00 0.00 H new ATOM 0 HB2 LYS A 18 5.255 7.317 -1.080 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.458 7.280 -2.640 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.278 7.301 -1.680 1.00 0.00 H new ATOM 0 HG3 LYS A 18 2.843 6.693 -0.137 1.00 0.00 H new ATOM 0 HD2 LYS A 18 2.919 8.860 0.580 1.00 0.00 H new ATOM 0 HD3 LYS A 18 4.303 9.082 -0.471 1.00 0.00 H new ATOM 0 HE2 LYS A 18 2.587 9.524 -2.393 1.00 0.00 H new ATOM 0 HE3 LYS A 18 1.366 9.630 -1.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 2.396 11.806 -1.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 2.746 11.277 0.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 3.930 11.175 -1.185 1.00 0.00 H new ATOM 273 N GLN A 19 4.692 4.841 -3.966 1.00 0.00 N ATOM 274 CA GLN A 19 4.217 4.303 -5.270 1.00 0.00 C ATOM 275 C GLN A 19 4.040 2.785 -5.173 1.00 0.00 C ATOM 276 O GLN A 19 3.101 2.226 -5.705 1.00 0.00 O ATOM 277 CB GLN A 19 5.320 4.654 -6.270 1.00 0.00 C ATOM 278 CG GLN A 19 4.948 4.114 -7.652 1.00 0.00 C ATOM 279 CD GLN A 19 5.263 2.619 -7.717 1.00 0.00 C ATOM 280 OE1 GLN A 19 4.454 1.836 -8.173 1.00 0.00 O ATOM 281 NE2 GLN A 19 6.413 2.186 -7.276 1.00 0.00 N ATOM 0 H GLN A 19 5.642 5.212 -3.971 1.00 0.00 H new ATOM 0 HA GLN A 19 3.255 4.720 -5.567 1.00 0.00 H new ATOM 0 HB2 GLN A 19 5.454 5.735 -6.314 1.00 0.00 H new ATOM 0 HB3 GLN A 19 6.269 4.228 -5.945 1.00 0.00 H new ATOM 0 HG2 GLN A 19 3.889 4.282 -7.847 1.00 0.00 H new ATOM 0 HG3 GLN A 19 5.503 4.647 -8.424 1.00 0.00 H new ATOM 0 HE21 GLN A 19 7.093 2.843 -6.893 1.00 0.00 H new ATOM 0 HE22 GLN A 19 6.632 1.191 -7.314 1.00 0.00 H new ATOM 290 N ALA A 20 4.929 2.112 -4.491 1.00 0.00 N ATOM 291 CA ALA A 20 4.794 0.633 -4.362 1.00 0.00 C ATOM 292 C ALA A 20 3.575 0.302 -3.501 1.00 0.00 C ATOM 293 O ALA A 20 2.871 -0.656 -3.746 1.00 0.00 O ATOM 294 CB ALA A 20 6.084 0.157 -3.688 1.00 0.00 C ATOM 0 H ALA A 20 5.737 2.520 -4.021 1.00 0.00 H new ATOM 0 HA ALA A 20 4.652 0.144 -5.326 1.00 0.00 H new ATOM 0 HB1 ALA A 20 6.051 -0.925 -3.562 1.00 0.00 H new ATOM 0 HB2 ALA A 20 6.939 0.424 -4.309 1.00 0.00 H new ATOM 0 HB3 ALA A 20 6.182 0.633 -2.712 1.00 0.00 H new ATOM 300 N PHE A 21 3.314 1.097 -2.496 1.00 0.00 N ATOM 301 CA PHE A 21 2.130 0.830 -1.627 1.00 0.00 C ATOM 302 C PHE A 21 0.841 1.102 -2.410 1.00 0.00 C ATOM 303 O PHE A 21 -0.092 0.325 -2.372 1.00 0.00 O ATOM 304 CB PHE A 21 2.263 1.794 -0.447 1.00 0.00 C ATOM 305 CG PHE A 21 1.438 1.289 0.716 1.00 0.00 C ATOM 306 CD1 PHE A 21 0.071 1.582 0.781 1.00 0.00 C ATOM 307 CD2 PHE A 21 2.040 0.533 1.732 1.00 0.00 C ATOM 308 CE1 PHE A 21 -0.695 1.121 1.860 1.00 0.00 C ATOM 309 CE2 PHE A 21 1.274 0.072 2.811 1.00 0.00 C ATOM 310 CZ PHE A 21 -0.093 0.366 2.874 1.00 0.00 C ATOM 0 H PHE A 21 3.866 1.915 -2.240 1.00 0.00 H new ATOM 0 HA PHE A 21 2.089 -0.206 -1.289 1.00 0.00 H new ATOM 0 HB2 PHE A 21 3.309 1.883 -0.153 1.00 0.00 H new ATOM 0 HB3 PHE A 21 1.928 2.790 -0.738 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -0.394 2.164 -0.001 1.00 0.00 H new ATOM 0 HD2 PHE A 21 3.095 0.306 1.683 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -1.750 1.348 1.910 1.00 0.00 H new ATOM 0 HE2 PHE A 21 1.738 -0.510 3.594 1.00 0.00 H new ATOM 0 HZ PHE A 21 -0.684 0.010 3.705 1.00 0.00 H new ATOM 320 N LYS A 22 0.783 2.191 -3.132 1.00 0.00 N ATOM 321 CA LYS A 22 -0.448 2.482 -3.924 1.00 0.00 C ATOM 322 C LYS A 22 -0.579 1.449 -5.042 1.00 0.00 C ATOM 323 O LYS A 22 -1.618 0.848 -5.228 1.00 0.00 O ATOM 324 CB LYS A 22 -0.241 3.878 -4.511 1.00 0.00 C ATOM 325 CG LYS A 22 -0.852 4.924 -3.577 1.00 0.00 C ATOM 326 CD LYS A 22 -1.613 5.962 -4.403 1.00 0.00 C ATOM 327 CE LYS A 22 -0.619 6.806 -5.204 1.00 0.00 C ATOM 328 NZ LYS A 22 -1.394 7.309 -6.373 1.00 0.00 N ATOM 0 H LYS A 22 1.527 2.885 -3.207 1.00 0.00 H new ATOM 0 HA LYS A 22 -1.353 2.438 -3.318 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.823 4.073 -4.645 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -0.703 3.941 -5.496 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.525 4.444 -2.867 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -0.069 5.410 -2.995 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -2.311 5.465 -5.077 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -2.204 6.602 -3.748 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -0.228 7.629 -4.606 1.00 0.00 H new ATOM 0 HE3 LYS A 22 0.236 6.211 -5.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -0.779 7.897 -6.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -1.748 6.503 -6.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -2.198 7.878 -6.038 1.00 0.00 H new ATOM 342 N GLU A 23 0.480 1.216 -5.772 1.00 0.00 N ATOM 343 CA GLU A 23 0.422 0.199 -6.855 1.00 0.00 C ATOM 344 C GLU A 23 0.110 -1.156 -6.227 1.00 0.00 C ATOM 345 O GLU A 23 -0.558 -1.989 -6.805 1.00 0.00 O ATOM 346 CB GLU A 23 1.816 0.200 -7.486 1.00 0.00 C ATOM 347 CG GLU A 23 1.940 -0.973 -8.461 1.00 0.00 C ATOM 348 CD GLU A 23 3.377 -1.498 -8.450 1.00 0.00 C ATOM 349 OE1 GLU A 23 3.786 -2.027 -7.429 1.00 0.00 O ATOM 350 OE2 GLU A 23 4.044 -1.364 -9.463 1.00 0.00 O ATOM 0 H GLU A 23 1.379 1.686 -5.663 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.344 0.408 -7.602 1.00 0.00 H new ATOM 0 HB2 GLU A 23 1.988 1.141 -8.009 1.00 0.00 H new ATOM 0 HB3 GLU A 23 2.577 0.123 -6.710 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.249 -1.768 -8.180 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.666 -0.654 -9.467 1.00 0.00 H new ATOM 357 N LEU A 24 0.580 -1.364 -5.028 1.00 0.00 N ATOM 358 CA LEU A 24 0.308 -2.646 -4.326 1.00 0.00 C ATOM 359 C LEU A 24 -1.201 -2.796 -4.123 1.00 0.00 C ATOM 360 O LEU A 24 -1.785 -3.805 -4.462 1.00 0.00 O ATOM 361 CB LEU A 24 1.040 -2.511 -2.990 1.00 0.00 C ATOM 362 CG LEU A 24 0.680 -3.670 -2.069 1.00 0.00 C ATOM 363 CD1 LEU A 24 0.937 -4.986 -2.793 1.00 0.00 C ATOM 364 CD2 LEU A 24 1.551 -3.601 -0.805 1.00 0.00 C ATOM 0 H LEU A 24 1.144 -0.696 -4.503 1.00 0.00 H new ATOM 0 HA LEU A 24 0.643 -3.525 -4.877 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.117 -2.492 -3.158 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.775 -1.566 -2.516 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.372 -3.607 -1.791 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.681 -5.818 -2.137 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.324 -5.032 -3.693 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.990 -5.051 -3.067 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.297 -4.429 -0.143 1.00 0.00 H new ATOM 0 HD22 LEU A 24 2.603 -3.669 -1.084 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.372 -2.657 -0.291 1.00 0.00 H new ATOM 376 N LEU A 25 -1.842 -1.789 -3.593 1.00 0.00 N ATOM 377 CA LEU A 25 -3.317 -1.870 -3.396 1.00 0.00 C ATOM 378 C LEU A 25 -4.010 -2.035 -4.750 1.00 0.00 C ATOM 379 O LEU A 25 -4.980 -2.759 -4.879 1.00 0.00 O ATOM 380 CB LEU A 25 -3.710 -0.539 -2.755 1.00 0.00 C ATOM 381 CG LEU A 25 -3.674 -0.667 -1.233 1.00 0.00 C ATOM 382 CD1 LEU A 25 -2.838 0.466 -0.637 1.00 0.00 C ATOM 383 CD2 LEU A 25 -5.101 -0.578 -0.695 1.00 0.00 C ATOM 0 H LEU A 25 -1.409 -0.917 -3.289 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.607 -2.718 -2.776 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.028 0.247 -3.079 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.709 -0.249 -3.081 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.229 -1.623 -0.958 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.816 0.370 0.449 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.822 0.412 -1.027 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.280 1.425 -0.907 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.087 -0.668 0.391 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.536 0.382 -0.974 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.700 -1.384 -1.118 1.00 0.00 H new ATOM 395 N LYS A 26 -3.512 -1.373 -5.762 1.00 0.00 N ATOM 396 CA LYS A 26 -4.133 -1.498 -7.110 1.00 0.00 C ATOM 397 C LYS A 26 -3.981 -2.935 -7.609 1.00 0.00 C ATOM 398 O LYS A 26 -4.915 -3.531 -8.106 1.00 0.00 O ATOM 399 CB LYS A 26 -3.355 -0.528 -8.002 1.00 0.00 C ATOM 400 CG LYS A 26 -4.229 -0.112 -9.187 1.00 0.00 C ATOM 401 CD LYS A 26 -4.009 1.370 -9.492 1.00 0.00 C ATOM 402 CE LYS A 26 -5.364 2.067 -9.633 1.00 0.00 C ATOM 403 NZ LYS A 26 -5.275 2.821 -10.915 1.00 0.00 N ATOM 0 H LYS A 26 -2.704 -0.753 -5.712 1.00 0.00 H new ATOM 0 HA LYS A 26 -5.198 -1.267 -7.106 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -3.058 0.351 -7.429 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -2.440 -1.000 -8.359 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -3.983 -0.714 -10.062 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -5.279 -0.295 -8.959 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -3.430 1.835 -8.694 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -3.433 1.482 -10.410 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -6.180 1.344 -9.655 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -5.554 2.736 -8.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -6.168 3.327 -11.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -4.494 3.506 -10.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -5.101 2.157 -11.697 1.00 0.00 H new ATOM 417 N GLU A 27 -2.816 -3.504 -7.456 1.00 0.00 N ATOM 418 CA GLU A 27 -2.618 -4.913 -7.899 1.00 0.00 C ATOM 419 C GLU A 27 -3.492 -5.823 -7.037 1.00 0.00 C ATOM 420 O GLU A 27 -3.942 -6.867 -7.466 1.00 0.00 O ATOM 421 CB GLU A 27 -1.134 -5.204 -7.666 1.00 0.00 C ATOM 422 CG GLU A 27 -0.766 -6.539 -8.317 1.00 0.00 C ATOM 423 CD GLU A 27 0.579 -7.020 -7.768 1.00 0.00 C ATOM 424 OE1 GLU A 27 1.269 -6.219 -7.160 1.00 0.00 O ATOM 425 OE2 GLU A 27 0.896 -8.182 -7.964 1.00 0.00 O ATOM 0 H GLU A 27 -1.997 -3.056 -7.045 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.891 -5.077 -8.941 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -0.525 -4.403 -8.086 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.923 -5.238 -6.597 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -1.539 -7.280 -8.115 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -0.709 -6.425 -9.399 1.00 0.00 H new ATOM 432 N LYS A 28 -3.749 -5.414 -5.824 1.00 0.00 N ATOM 433 CA LYS A 28 -4.610 -6.225 -4.921 1.00 0.00 C ATOM 434 C LYS A 28 -6.082 -5.945 -5.234 1.00 0.00 C ATOM 435 O LYS A 28 -6.975 -6.488 -4.616 1.00 0.00 O ATOM 436 CB LYS A 28 -4.261 -5.752 -3.509 1.00 0.00 C ATOM 437 CG LYS A 28 -3.127 -6.613 -2.948 1.00 0.00 C ATOM 438 CD LYS A 28 -1.806 -6.223 -3.614 1.00 0.00 C ATOM 439 CE LYS A 28 -0.873 -7.434 -3.651 1.00 0.00 C ATOM 440 NZ LYS A 28 -1.049 -8.010 -5.014 1.00 0.00 N ATOM 0 H LYS A 28 -3.396 -4.547 -5.419 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.450 -7.297 -5.037 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.961 -4.704 -3.529 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.137 -5.820 -2.864 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -3.055 -6.478 -1.869 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -3.337 -7.668 -3.124 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.990 -5.862 -4.626 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.337 -5.407 -3.065 1.00 0.00 H new ATOM 0 HE2 LYS A 28 0.162 -7.141 -3.476 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -1.134 -8.158 -2.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -0.240 -8.623 -5.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -1.926 -8.568 -5.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -1.104 -7.241 -5.712 1.00 0.00 H new ATOM 454 N ARG A 29 -6.335 -5.093 -6.191 1.00 0.00 N ATOM 455 CA ARG A 29 -7.741 -4.766 -6.548 1.00 0.00 C ATOM 456 C ARG A 29 -8.500 -4.297 -5.307 1.00 0.00 C ATOM 457 O ARG A 29 -9.711 -4.367 -5.247 1.00 0.00 O ATOM 458 CB ARG A 29 -8.336 -6.069 -7.083 1.00 0.00 C ATOM 459 CG ARG A 29 -8.082 -6.165 -8.589 1.00 0.00 C ATOM 460 CD ARG A 29 -7.171 -7.360 -8.880 1.00 0.00 C ATOM 461 NE ARG A 29 -6.956 -7.331 -10.353 1.00 0.00 N ATOM 462 CZ ARG A 29 -7.915 -7.693 -11.161 1.00 0.00 C ATOM 463 NH1 ARG A 29 -7.893 -8.877 -11.709 1.00 0.00 N ATOM 464 NH2 ARG A 29 -8.895 -6.871 -11.421 1.00 0.00 N ATOM 0 H ARG A 29 -5.625 -4.609 -6.741 1.00 0.00 H new ATOM 0 HA ARG A 29 -7.804 -3.964 -7.284 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -7.889 -6.922 -6.573 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -9.407 -6.102 -6.881 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -9.027 -6.277 -9.121 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -7.620 -5.246 -8.950 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -6.227 -7.277 -8.342 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -7.635 -8.295 -8.567 1.00 0.00 H new ATOM 0 HE ARG A 29 -6.058 -7.028 -10.731 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -7.127 -9.519 -11.506 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -8.642 -9.161 -12.341 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -8.912 -5.945 -10.993 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -9.644 -7.154 -12.053 1.00 0.00 H new ATOM 478 N VAL A 30 -7.802 -3.811 -4.315 1.00 0.00 N ATOM 479 CA VAL A 30 -8.504 -3.335 -3.091 1.00 0.00 C ATOM 480 C VAL A 30 -9.630 -2.378 -3.491 1.00 0.00 C ATOM 481 O VAL A 30 -9.424 -1.482 -4.285 1.00 0.00 O ATOM 482 CB VAL A 30 -7.441 -2.602 -2.271 1.00 0.00 C ATOM 483 CG1 VAL A 30 -8.041 -2.170 -0.932 1.00 0.00 C ATOM 484 CG2 VAL A 30 -6.252 -3.529 -2.015 1.00 0.00 C ATOM 0 H VAL A 30 -6.786 -3.724 -4.300 1.00 0.00 H new ATOM 0 HA VAL A 30 -8.952 -4.150 -2.523 1.00 0.00 H new ATOM 0 HB VAL A 30 -7.103 -1.726 -2.824 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -7.285 -1.647 -0.346 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -8.886 -1.505 -1.110 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -8.380 -3.049 -0.385 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.498 -3.001 -1.431 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -6.588 -4.408 -1.465 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.821 -3.839 -2.967 1.00 0.00 H new ATOM 494 N PRO A 31 -10.787 -2.601 -2.933 1.00 0.00 N ATOM 495 CA PRO A 31 -11.952 -1.744 -3.249 1.00 0.00 C ATOM 496 C PRO A 31 -11.784 -0.365 -2.608 1.00 0.00 C ATOM 497 O PRO A 31 -10.968 -0.174 -1.729 1.00 0.00 O ATOM 498 CB PRO A 31 -13.130 -2.495 -2.637 1.00 0.00 C ATOM 499 CG PRO A 31 -12.531 -3.327 -1.548 1.00 0.00 C ATOM 500 CD PRO A 31 -11.119 -3.653 -1.967 1.00 0.00 C ATOM 0 HA PRO A 31 -12.081 -1.568 -4.317 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -13.876 -1.805 -2.242 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -13.631 -3.117 -3.379 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -12.537 -2.786 -0.602 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -13.109 -4.239 -1.397 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -10.438 -3.644 -1.116 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -11.054 -4.644 -2.417 1.00 0.00 H new ATOM 508 N SER A 32 -12.550 0.595 -3.041 1.00 0.00 N ATOM 509 CA SER A 32 -12.434 1.963 -2.458 1.00 0.00 C ATOM 510 C SER A 32 -13.021 1.988 -1.045 1.00 0.00 C ATOM 511 O SER A 32 -12.905 2.965 -0.332 1.00 0.00 O ATOM 512 CB SER A 32 -13.241 2.863 -3.392 1.00 0.00 C ATOM 513 OG SER A 32 -14.622 2.755 -3.072 1.00 0.00 O ATOM 0 H SER A 32 -13.252 0.494 -3.774 1.00 0.00 H new ATOM 0 HA SER A 32 -11.397 2.289 -2.375 1.00 0.00 H new ATOM 0 HB2 SER A 32 -12.913 3.898 -3.292 1.00 0.00 H new ATOM 0 HB3 SER A 32 -13.073 2.574 -4.429 1.00 0.00 H new ATOM 0 HG SER A 32 -14.922 3.579 -2.634 1.00 0.00 H new ATOM 519 N ASN A 33 -13.656 0.925 -0.636 1.00 0.00 N ATOM 520 CA ASN A 33 -14.253 0.896 0.730 1.00 0.00 C ATOM 521 C ASN A 33 -13.641 -0.237 1.558 1.00 0.00 C ATOM 522 O ASN A 33 -14.199 -0.661 2.551 1.00 0.00 O ATOM 523 CB ASN A 33 -15.742 0.649 0.502 1.00 0.00 C ATOM 524 CG ASN A 33 -15.937 -0.733 -0.125 1.00 0.00 C ATOM 525 OD1 ASN A 33 -15.885 -0.879 -1.330 1.00 0.00 O ATOM 526 ND2 ASN A 33 -16.159 -1.761 0.648 1.00 0.00 N ATOM 0 H ASN A 33 -13.788 0.077 -1.187 1.00 0.00 H new ATOM 0 HA ASN A 33 -14.070 1.820 1.279 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -16.281 0.711 1.447 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -16.154 1.418 -0.151 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -16.289 -2.687 0.240 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -16.203 -1.638 1.660 1.00 0.00 H new ATOM 533 N ALA A 34 -12.501 -0.732 1.160 1.00 0.00 N ATOM 534 CA ALA A 34 -11.865 -1.837 1.933 1.00 0.00 C ATOM 535 C ALA A 34 -11.414 -1.332 3.302 1.00 0.00 C ATOM 536 O ALA A 34 -11.062 -0.181 3.467 1.00 0.00 O ATOM 537 CB ALA A 34 -10.649 -2.266 1.108 1.00 0.00 C ATOM 0 H ALA A 34 -11.984 -0.421 0.337 1.00 0.00 H new ATOM 0 HA ALA A 34 -12.557 -2.663 2.101 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -10.131 -3.078 1.618 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -10.977 -2.605 0.126 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -9.971 -1.420 0.992 1.00 0.00 H new ATOM 543 N SER A 35 -11.405 -2.190 4.281 1.00 0.00 N ATOM 544 CA SER A 35 -10.955 -1.766 5.634 1.00 0.00 C ATOM 545 C SER A 35 -9.445 -1.947 5.731 1.00 0.00 C ATOM 546 O SER A 35 -8.873 -2.779 5.054 1.00 0.00 O ATOM 547 CB SER A 35 -11.664 -2.706 6.601 1.00 0.00 C ATOM 548 OG SER A 35 -11.033 -3.980 6.561 1.00 0.00 O ATOM 0 H SER A 35 -11.690 -3.166 4.203 1.00 0.00 H new ATOM 0 HA SER A 35 -11.183 -0.722 5.850 1.00 0.00 H new ATOM 0 HB2 SER A 35 -11.629 -2.301 7.612 1.00 0.00 H new ATOM 0 HB3 SER A 35 -12.716 -2.799 6.331 1.00 0.00 H new ATOM 0 HG SER A 35 -11.484 -4.588 7.183 1.00 0.00 H new ATOM 554 N TRP A 36 -8.781 -1.190 6.557 1.00 0.00 N ATOM 555 CA TRP A 36 -7.309 -1.363 6.653 1.00 0.00 C ATOM 556 C TRP A 36 -6.980 -2.842 6.850 1.00 0.00 C ATOM 557 O TRP A 36 -5.956 -3.318 6.417 1.00 0.00 O ATOM 558 CB TRP A 36 -6.851 -0.556 7.866 1.00 0.00 C ATOM 559 CG TRP A 36 -5.416 -0.885 8.122 1.00 0.00 C ATOM 560 CD1 TRP A 36 -4.917 -1.361 9.286 1.00 0.00 C ATOM 561 CD2 TRP A 36 -4.290 -0.792 7.201 1.00 0.00 C ATOM 562 NE1 TRP A 36 -3.558 -1.570 9.137 1.00 0.00 N ATOM 563 CE2 TRP A 36 -3.125 -1.232 7.869 1.00 0.00 C ATOM 564 CE3 TRP A 36 -4.167 -0.372 5.863 1.00 0.00 C ATOM 565 CZ2 TRP A 36 -1.883 -1.259 7.232 1.00 0.00 C ATOM 566 CZ3 TRP A 36 -2.915 -0.395 5.224 1.00 0.00 C ATOM 567 CH2 TRP A 36 -1.779 -0.838 5.907 1.00 0.00 C ATOM 0 H TRP A 36 -9.185 -0.472 7.159 1.00 0.00 H new ATOM 0 HA TRP A 36 -6.807 -1.022 5.747 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -6.970 0.512 7.681 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -7.459 -0.799 8.737 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -5.487 -1.547 10.184 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -2.950 -1.930 9.873 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -5.039 -0.030 5.325 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -1.008 -1.604 7.763 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -2.830 -0.068 4.198 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -0.821 -0.854 5.409 1.00 0.00 H new ATOM 578 N GLU A 37 -7.841 -3.577 7.500 1.00 0.00 N ATOM 579 CA GLU A 37 -7.562 -5.026 7.717 1.00 0.00 C ATOM 580 C GLU A 37 -7.549 -5.767 6.377 1.00 0.00 C ATOM 581 O GLU A 37 -6.635 -6.512 6.075 1.00 0.00 O ATOM 582 CB GLU A 37 -8.712 -5.525 8.594 1.00 0.00 C ATOM 583 CG GLU A 37 -8.405 -5.223 10.063 1.00 0.00 C ATOM 584 CD GLU A 37 -9.712 -5.149 10.854 1.00 0.00 C ATOM 585 OE1 GLU A 37 -10.732 -4.863 10.249 1.00 0.00 O ATOM 586 OE2 GLU A 37 -9.671 -5.377 12.051 1.00 0.00 O ATOM 0 H GLU A 37 -8.722 -3.239 7.889 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.591 -5.194 8.184 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -9.644 -5.042 8.300 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -8.851 -6.597 8.454 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -7.760 -5.998 10.477 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -7.864 -4.280 10.146 1.00 0.00 H new ATOM 593 N GLN A 38 -8.553 -5.564 5.565 1.00 0.00 N ATOM 594 CA GLN A 38 -8.595 -6.254 4.243 1.00 0.00 C ATOM 595 C GLN A 38 -7.560 -5.642 3.297 1.00 0.00 C ATOM 596 O GLN A 38 -6.826 -6.341 2.623 1.00 0.00 O ATOM 597 CB GLN A 38 -10.011 -6.010 3.716 1.00 0.00 C ATOM 598 CG GLN A 38 -10.973 -7.014 4.353 1.00 0.00 C ATOM 599 CD GLN A 38 -11.899 -7.590 3.280 1.00 0.00 C ATOM 600 OE1 GLN A 38 -11.509 -8.459 2.525 1.00 0.00 O ATOM 601 NE2 GLN A 38 -13.121 -7.139 3.179 1.00 0.00 N ATOM 0 H GLN A 38 -9.345 -4.951 5.760 1.00 0.00 H new ATOM 0 HA GLN A 38 -8.366 -7.317 4.323 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -10.326 -4.992 3.946 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -10.029 -6.111 2.631 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -10.412 -7.816 4.832 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -11.560 -6.527 5.131 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -13.449 -6.410 3.812 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -13.747 -7.516 2.467 1.00 0.00 H new ATOM 610 N ALA A 39 -7.495 -4.341 3.243 1.00 0.00 N ATOM 611 CA ALA A 39 -6.512 -3.683 2.343 1.00 0.00 C ATOM 612 C ALA A 39 -5.085 -3.982 2.801 1.00 0.00 C ATOM 613 O ALA A 39 -4.227 -4.299 2.006 1.00 0.00 O ATOM 614 CB ALA A 39 -6.801 -2.187 2.463 1.00 0.00 C ATOM 0 H ALA A 39 -8.081 -3.706 3.784 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.599 -4.038 1.316 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.113 -1.631 1.825 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -7.826 -1.988 2.151 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -6.670 -1.873 3.498 1.00 0.00 H new ATOM 620 N MET A 40 -4.822 -3.871 4.073 1.00 0.00 N ATOM 621 CA MET A 40 -3.443 -4.133 4.578 1.00 0.00 C ATOM 622 C MET A 40 -3.031 -5.583 4.343 1.00 0.00 C ATOM 623 O MET A 40 -1.959 -5.851 3.855 1.00 0.00 O ATOM 624 CB MET A 40 -3.498 -3.852 6.077 1.00 0.00 C ATOM 625 CG MET A 40 -2.129 -4.131 6.696 1.00 0.00 C ATOM 626 SD MET A 40 -2.246 -4.009 8.498 1.00 0.00 S ATOM 627 CE MET A 40 -1.965 -5.759 8.861 1.00 0.00 C ATOM 0 H MET A 40 -5.502 -3.610 4.787 1.00 0.00 H new ATOM 0 HA MET A 40 -2.714 -3.509 4.061 1.00 0.00 H new ATOM 0 HB2 MET A 40 -3.785 -2.815 6.254 1.00 0.00 H new ATOM 0 HB3 MET A 40 -4.257 -4.477 6.548 1.00 0.00 H new ATOM 0 HG2 MET A 40 -1.784 -5.125 6.410 1.00 0.00 H new ATOM 0 HG3 MET A 40 -1.395 -3.418 6.319 1.00 0.00 H new ATOM 0 HE1 MET A 40 -2.384 -6.000 9.838 1.00 0.00 H new ATOM 0 HE2 MET A 40 -2.447 -6.371 8.099 1.00 0.00 H new ATOM 0 HE3 MET A 40 -0.894 -5.962 8.865 1.00 0.00 H new ATOM 637 N LYS A 41 -3.859 -6.521 4.701 1.00 0.00 N ATOM 638 CA LYS A 41 -3.483 -7.953 4.509 1.00 0.00 C ATOM 639 C LYS A 41 -3.263 -8.262 3.024 1.00 0.00 C ATOM 640 O LYS A 41 -2.269 -8.861 2.639 1.00 0.00 O ATOM 641 CB LYS A 41 -4.681 -8.730 5.058 1.00 0.00 C ATOM 642 CG LYS A 41 -4.578 -10.207 4.675 1.00 0.00 C ATOM 643 CD LYS A 41 -5.984 -10.805 4.601 1.00 0.00 C ATOM 644 CE LYS A 41 -6.157 -11.833 5.721 1.00 0.00 C ATOM 645 NZ LYS A 41 -5.717 -13.125 5.125 1.00 0.00 N ATOM 0 H LYS A 41 -4.777 -6.363 5.117 1.00 0.00 H new ATOM 0 HA LYS A 41 -2.552 -8.214 5.012 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.721 -8.631 6.143 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -5.607 -8.309 4.665 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -4.074 -10.312 3.714 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -3.979 -10.745 5.410 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -6.732 -10.018 4.696 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -6.140 -11.277 3.631 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -5.555 -11.574 6.592 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -7.194 -11.884 6.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -5.806 -13.882 5.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -6.313 -13.348 4.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -4.725 -13.048 4.823 1.00 0.00 H new ATOM 659 N MET A 42 -4.179 -7.858 2.187 1.00 0.00 N ATOM 660 CA MET A 42 -4.031 -8.132 0.730 1.00 0.00 C ATOM 661 C MET A 42 -2.754 -7.487 0.192 1.00 0.00 C ATOM 662 O MET A 42 -2.152 -7.972 -0.746 1.00 0.00 O ATOM 663 CB MET A 42 -5.263 -7.497 0.086 1.00 0.00 C ATOM 664 CG MET A 42 -6.514 -8.267 0.515 1.00 0.00 C ATOM 665 SD MET A 42 -7.249 -9.074 -0.929 1.00 0.00 S ATOM 666 CE MET A 42 -7.393 -7.596 -1.961 1.00 0.00 C ATOM 0 H MET A 42 -5.024 -7.350 2.449 1.00 0.00 H new ATOM 0 HA MET A 42 -3.958 -9.198 0.516 1.00 0.00 H new ATOM 0 HB2 MET A 42 -5.345 -6.452 0.385 1.00 0.00 H new ATOM 0 HB3 MET A 42 -5.168 -7.512 -1.000 1.00 0.00 H new ATOM 0 HG2 MET A 42 -6.256 -9.011 1.269 1.00 0.00 H new ATOM 0 HG3 MET A 42 -7.234 -7.588 0.971 1.00 0.00 H new ATOM 0 HE1 MET A 42 -8.306 -7.654 -2.554 1.00 0.00 H new ATOM 0 HE2 MET A 42 -7.429 -6.711 -1.326 1.00 0.00 H new ATOM 0 HE3 MET A 42 -6.532 -7.531 -2.626 1.00 0.00 H new ATOM 676 N ILE A 43 -2.340 -6.395 0.769 1.00 0.00 N ATOM 677 CA ILE A 43 -1.107 -5.720 0.279 1.00 0.00 C ATOM 678 C ILE A 43 0.119 -6.222 1.053 1.00 0.00 C ATOM 679 O ILE A 43 1.227 -6.212 0.554 1.00 0.00 O ATOM 680 CB ILE A 43 -1.349 -4.225 0.525 1.00 0.00 C ATOM 681 CG1 ILE A 43 -1.284 -3.921 2.022 1.00 0.00 C ATOM 682 CG2 ILE A 43 -2.727 -3.824 -0.006 1.00 0.00 C ATOM 683 CD1 ILE A 43 -0.984 -2.433 2.214 1.00 0.00 C ATOM 0 H ILE A 43 -2.801 -5.941 1.558 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.909 -5.925 -0.773 1.00 0.00 H new ATOM 0 HB ILE A 43 -0.577 -3.659 0.005 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -2.229 -4.180 2.500 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -0.511 -4.525 2.496 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.891 -2.761 0.173 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -2.777 -4.024 -1.076 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -3.497 -4.401 0.507 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -0.936 -2.206 3.279 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -0.029 -2.191 1.748 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -1.774 -1.840 1.752 1.00 0.00 H new ATOM 695 N ILE A 44 -0.069 -6.676 2.263 1.00 0.00 N ATOM 696 CA ILE A 44 1.091 -7.182 3.051 1.00 0.00 C ATOM 697 C ILE A 44 1.643 -8.438 2.380 1.00 0.00 C ATOM 698 O ILE A 44 2.840 -8.627 2.284 1.00 0.00 O ATOM 699 CB ILE A 44 0.535 -7.482 4.457 1.00 0.00 C ATOM 700 CG1 ILE A 44 1.601 -7.149 5.503 1.00 0.00 C ATOM 701 CG2 ILE A 44 0.152 -8.959 4.588 1.00 0.00 C ATOM 702 CD1 ILE A 44 0.922 -6.772 6.820 1.00 0.00 C ATOM 0 H ILE A 44 -0.971 -6.718 2.738 1.00 0.00 H new ATOM 0 HA ILE A 44 1.911 -6.467 3.110 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.355 -6.873 4.615 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.259 -8.005 5.653 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.224 -6.325 5.154 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -0.238 -9.146 5.589 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -0.611 -9.204 3.849 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.032 -9.579 4.419 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.681 -6.535 7.566 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.282 -5.903 6.664 1.00 0.00 H new ATOM 0 HD13 ILE A 44 0.318 -7.609 7.171 1.00 0.00 H new ATOM 714 N ASN A 45 0.781 -9.291 1.893 1.00 0.00 N ATOM 715 CA ASN A 45 1.277 -10.518 1.207 1.00 0.00 C ATOM 716 C ASN A 45 2.290 -10.118 0.127 1.00 0.00 C ATOM 717 O ASN A 45 3.090 -10.915 -0.321 1.00 0.00 O ATOM 718 CB ASN A 45 0.037 -11.149 0.571 1.00 0.00 C ATOM 719 CG ASN A 45 -0.762 -11.901 1.637 1.00 0.00 C ATOM 720 OD1 ASN A 45 -0.620 -11.643 2.815 1.00 0.00 O ATOM 721 ND2 ASN A 45 -1.605 -12.826 1.269 1.00 0.00 N ATOM 0 H ASN A 45 -0.233 -9.193 1.940 1.00 0.00 H new ATOM 0 HA ASN A 45 1.775 -11.210 1.887 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -0.583 -10.377 0.115 1.00 0.00 H new ATOM 0 HB3 ASN A 45 0.332 -11.832 -0.225 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -2.145 -13.332 1.971 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -1.724 -13.043 0.279 1.00 0.00 H new ATOM 728 N ASP A 46 2.245 -8.881 -0.292 1.00 0.00 N ATOM 729 CA ASP A 46 3.179 -8.392 -1.346 1.00 0.00 C ATOM 730 C ASP A 46 4.331 -7.598 -0.717 1.00 0.00 C ATOM 731 O ASP A 46 4.154 -6.928 0.284 1.00 0.00 O ATOM 732 CB ASP A 46 2.314 -7.485 -2.212 1.00 0.00 C ATOM 733 CG ASP A 46 3.052 -7.131 -3.502 1.00 0.00 C ATOM 734 OD1 ASP A 46 3.918 -6.275 -3.447 1.00 0.00 O ATOM 735 OD2 ASP A 46 2.738 -7.722 -4.523 1.00 0.00 O ATOM 0 H ASP A 46 1.591 -8.180 0.057 1.00 0.00 H new ATOM 0 HA ASP A 46 3.637 -9.203 -1.913 1.00 0.00 H new ATOM 0 HB2 ASP A 46 1.373 -7.983 -2.447 1.00 0.00 H new ATOM 0 HB3 ASP A 46 2.065 -6.576 -1.665 1.00 0.00 H new ATOM 740 N PRO A 47 5.482 -7.706 -1.326 1.00 0.00 N ATOM 741 CA PRO A 47 6.693 -7.003 -0.820 1.00 0.00 C ATOM 742 C PRO A 47 6.503 -5.480 -0.813 1.00 0.00 C ATOM 743 O PRO A 47 7.183 -4.772 -0.097 1.00 0.00 O ATOM 744 CB PRO A 47 7.785 -7.433 -1.801 1.00 0.00 C ATOM 745 CG PRO A 47 7.045 -7.831 -3.033 1.00 0.00 C ATOM 746 CD PRO A 47 5.773 -8.467 -2.545 1.00 0.00 C ATOM 0 HA PRO A 47 6.929 -7.256 0.214 1.00 0.00 H new ATOM 0 HB2 PRO A 47 8.481 -6.619 -2.002 1.00 0.00 H new ATOM 0 HB3 PRO A 47 8.371 -8.262 -1.404 1.00 0.00 H new ATOM 0 HG2 PRO A 47 6.836 -6.966 -3.663 1.00 0.00 H new ATOM 0 HG3 PRO A 47 7.628 -8.529 -3.634 1.00 0.00 H new ATOM 0 HD2 PRO A 47 4.970 -8.382 -3.277 1.00 0.00 H new ATOM 0 HD3 PRO A 47 5.904 -9.529 -2.338 1.00 0.00 H new ATOM 754 N ARG A 48 5.582 -4.967 -1.582 1.00 0.00 N ATOM 755 CA ARG A 48 5.367 -3.489 -1.578 1.00 0.00 C ATOM 756 C ARG A 48 5.025 -3.002 -0.173 1.00 0.00 C ATOM 757 O ARG A 48 5.241 -1.854 0.161 1.00 0.00 O ATOM 758 CB ARG A 48 4.198 -3.225 -2.523 1.00 0.00 C ATOM 759 CG ARG A 48 4.724 -2.917 -3.922 1.00 0.00 C ATOM 760 CD ARG A 48 5.145 -4.213 -4.598 1.00 0.00 C ATOM 761 NE ARG A 48 3.921 -4.697 -5.292 1.00 0.00 N ATOM 762 CZ ARG A 48 4.022 -5.340 -6.422 1.00 0.00 C ATOM 763 NH1 ARG A 48 4.694 -6.457 -6.480 1.00 0.00 N ATOM 764 NH2 ARG A 48 3.450 -4.869 -7.497 1.00 0.00 N ATOM 0 H ARG A 48 4.975 -5.498 -2.206 1.00 0.00 H new ATOM 0 HA ARG A 48 6.266 -2.961 -1.896 1.00 0.00 H new ATOM 0 HB2 ARG A 48 3.541 -4.094 -2.555 1.00 0.00 H new ATOM 0 HB3 ARG A 48 3.603 -2.389 -2.156 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.954 -2.420 -4.511 1.00 0.00 H new ATOM 0 HG3 ARG A 48 5.571 -2.233 -3.862 1.00 0.00 H new ATOM 0 HD2 ARG A 48 5.959 -4.045 -5.303 1.00 0.00 H new ATOM 0 HD3 ARG A 48 5.500 -4.942 -3.869 1.00 0.00 H new ATOM 0 HE ARG A 48 3.002 -4.526 -4.884 1.00 0.00 H new ATOM 0 HH11 ARG A 48 5.141 -6.828 -5.641 1.00 0.00 H new ATOM 0 HH12 ARG A 48 4.773 -6.960 -7.364 1.00 0.00 H new ATOM 0 HH21 ARG A 48 2.923 -3.997 -7.454 1.00 0.00 H new ATOM 0 HH22 ARG A 48 3.530 -5.373 -8.380 1.00 0.00 H new ATOM 778 N TYR A 49 4.487 -3.852 0.657 1.00 0.00 N ATOM 779 CA TYR A 49 4.138 -3.399 2.030 1.00 0.00 C ATOM 780 C TYR A 49 5.398 -2.897 2.739 1.00 0.00 C ATOM 781 O TYR A 49 5.368 -1.939 3.493 1.00 0.00 O ATOM 782 CB TYR A 49 3.570 -4.632 2.731 1.00 0.00 C ATOM 783 CG TYR A 49 2.749 -4.191 3.916 1.00 0.00 C ATOM 784 CD1 TYR A 49 1.454 -3.708 3.717 1.00 0.00 C ATOM 785 CD2 TYR A 49 3.277 -4.266 5.211 1.00 0.00 C ATOM 786 CE1 TYR A 49 0.680 -3.302 4.805 1.00 0.00 C ATOM 787 CE2 TYR A 49 2.503 -3.861 6.304 1.00 0.00 C ATOM 788 CZ TYR A 49 1.205 -3.380 6.101 1.00 0.00 C ATOM 789 OH TYR A 49 0.444 -2.983 7.179 1.00 0.00 O ATOM 0 H TYR A 49 4.277 -4.828 0.447 1.00 0.00 H new ATOM 0 HA TYR A 49 3.420 -2.579 2.031 1.00 0.00 H new ATOM 0 HB2 TYR A 49 2.954 -5.207 2.040 1.00 0.00 H new ATOM 0 HB3 TYR A 49 4.379 -5.286 3.056 1.00 0.00 H new ATOM 0 HD1 TYR A 49 1.050 -3.648 2.717 1.00 0.00 H new ATOM 0 HD2 TYR A 49 4.280 -4.636 5.366 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -0.321 -2.929 4.648 1.00 0.00 H new ATOM 0 HE2 TYR A 49 2.907 -3.920 7.304 1.00 0.00 H new ATOM 0 HH TYR A 49 -0.127 -2.231 6.917 1.00 0.00 H new ATOM 799 N SER A 50 6.515 -3.515 2.478 1.00 0.00 N ATOM 800 CA SER A 50 7.774 -3.056 3.122 1.00 0.00 C ATOM 801 C SER A 50 8.177 -1.711 2.522 1.00 0.00 C ATOM 802 O SER A 50 9.090 -1.057 2.986 1.00 0.00 O ATOM 803 CB SER A 50 8.811 -4.129 2.788 1.00 0.00 C ATOM 804 OG SER A 50 10.056 -3.504 2.502 1.00 0.00 O ATOM 0 H SER A 50 6.610 -4.313 1.850 1.00 0.00 H new ATOM 0 HA SER A 50 7.676 -2.922 4.199 1.00 0.00 H new ATOM 0 HB2 SER A 50 8.921 -4.819 3.625 1.00 0.00 H new ATOM 0 HB3 SER A 50 8.481 -4.717 1.932 1.00 0.00 H new ATOM 0 HG SER A 50 10.780 -4.156 2.603 1.00 0.00 H new ATOM 810 N ALA A 51 7.479 -1.282 1.505 1.00 0.00 N ATOM 811 CA ALA A 51 7.792 0.031 0.887 1.00 0.00 C ATOM 812 C ALA A 51 7.564 1.133 1.920 1.00 0.00 C ATOM 813 O ALA A 51 8.100 2.219 1.816 1.00 0.00 O ATOM 814 CB ALA A 51 6.806 0.165 -0.274 1.00 0.00 C ATOM 0 H ALA A 51 6.704 -1.789 1.077 1.00 0.00 H new ATOM 0 HA ALA A 51 8.824 0.108 0.545 1.00 0.00 H new ATOM 0 HB1 ALA A 51 6.972 1.113 -0.785 1.00 0.00 H new ATOM 0 HB2 ALA A 51 6.956 -0.656 -0.975 1.00 0.00 H new ATOM 0 HB3 ALA A 51 5.786 0.133 0.109 1.00 0.00 H new ATOM 820 N LEU A 52 6.774 0.857 2.928 1.00 0.00 N ATOM 821 CA LEU A 52 6.520 1.891 3.975 1.00 0.00 C ATOM 822 C LEU A 52 6.968 1.368 5.343 1.00 0.00 C ATOM 823 O LEU A 52 6.539 0.324 5.791 1.00 0.00 O ATOM 824 CB LEU A 52 5.007 2.124 3.950 1.00 0.00 C ATOM 825 CG LEU A 52 4.609 2.849 2.659 1.00 0.00 C ATOM 826 CD1 LEU A 52 3.192 3.409 2.803 1.00 0.00 C ATOM 827 CD2 LEU A 52 5.579 4.004 2.391 1.00 0.00 C ATOM 0 H LEU A 52 6.297 -0.034 3.070 1.00 0.00 H new ATOM 0 HA LEU A 52 7.070 2.814 3.791 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.483 1.171 4.018 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.707 2.715 4.816 1.00 0.00 H new ATOM 0 HG LEU A 52 4.645 2.143 1.829 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.909 3.924 1.885 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.495 2.592 2.990 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.161 4.110 3.637 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.291 4.515 1.472 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.546 4.707 3.223 1.00 0.00 H new ATOM 0 HD23 LEU A 52 6.591 3.613 2.286 1.00 0.00 H new ATOM 839 N ALA A 53 7.839 2.080 6.002 1.00 0.00 N ATOM 840 CA ALA A 53 8.330 1.621 7.334 1.00 0.00 C ATOM 841 C ALA A 53 7.295 1.895 8.430 1.00 0.00 C ATOM 842 O ALA A 53 7.249 1.211 9.432 1.00 0.00 O ATOM 843 CB ALA A 53 9.599 2.435 7.588 1.00 0.00 C ATOM 0 H ALA A 53 8.234 2.962 5.676 1.00 0.00 H new ATOM 0 HA ALA A 53 8.514 0.547 7.346 1.00 0.00 H new ATOM 0 HB1 ALA A 53 10.024 2.156 8.552 1.00 0.00 H new ATOM 0 HB2 ALA A 53 10.325 2.233 6.800 1.00 0.00 H new ATOM 0 HB3 ALA A 53 9.355 3.497 7.593 1.00 0.00 H new ATOM 849 N LYS A 54 6.474 2.895 8.261 1.00 0.00 N ATOM 850 CA LYS A 54 5.463 3.205 9.314 1.00 0.00 C ATOM 851 C LYS A 54 4.045 2.879 8.834 1.00 0.00 C ATOM 852 O LYS A 54 3.694 3.083 7.686 1.00 0.00 O ATOM 853 CB LYS A 54 5.611 4.705 9.570 1.00 0.00 C ATOM 854 CG LYS A 54 6.522 4.930 10.779 1.00 0.00 C ATOM 855 CD LYS A 54 6.673 6.432 11.034 1.00 0.00 C ATOM 856 CE LYS A 54 5.891 6.817 12.291 1.00 0.00 C ATOM 857 NZ LYS A 54 6.919 7.311 13.250 1.00 0.00 N ATOM 0 H LYS A 54 6.458 3.508 7.446 1.00 0.00 H new ATOM 0 HA LYS A 54 5.623 2.612 10.215 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.029 5.195 8.691 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.633 5.152 9.750 1.00 0.00 H new ATOM 0 HG2 LYS A 54 6.103 4.442 11.659 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.499 4.481 10.600 1.00 0.00 H new ATOM 0 HD2 LYS A 54 7.726 6.687 11.155 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.305 6.996 10.177 1.00 0.00 H new ATOM 0 HE2 LYS A 54 5.151 7.587 12.075 1.00 0.00 H new ATOM 0 HE3 LYS A 54 5.351 5.962 12.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 6.458 7.594 14.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 7.606 6.554 13.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 7.412 8.130 12.839 1.00 0.00 H new ATOM 871 N LEU A 55 3.220 2.379 9.710 1.00 0.00 N ATOM 872 CA LEU A 55 1.828 2.051 9.306 1.00 0.00 C ATOM 873 C LEU A 55 1.046 3.340 9.056 1.00 0.00 C ATOM 874 O LEU A 55 0.140 3.376 8.250 1.00 0.00 O ATOM 875 CB LEU A 55 1.229 1.263 10.470 1.00 0.00 C ATOM 876 CG LEU A 55 1.335 -0.238 10.182 1.00 0.00 C ATOM 877 CD1 LEU A 55 0.541 -1.014 11.232 1.00 0.00 C ATOM 878 CD2 LEU A 55 0.764 -0.550 8.793 1.00 0.00 C ATOM 0 H LEU A 55 3.449 2.184 10.685 1.00 0.00 H new ATOM 0 HA LEU A 55 1.793 1.470 8.384 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.754 1.504 11.394 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.186 1.543 10.614 1.00 0.00 H new ATOM 0 HG LEU A 55 2.384 -0.531 10.215 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.615 -2.082 11.028 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.945 -0.804 12.222 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.505 -0.710 11.195 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.844 -1.619 8.598 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.284 -0.252 8.755 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.325 -0.001 8.037 1.00 0.00 H new ATOM 890 N SER A 56 1.388 4.403 9.735 1.00 0.00 N ATOM 891 CA SER A 56 0.652 5.677 9.512 1.00 0.00 C ATOM 892 C SER A 56 0.744 6.054 8.035 1.00 0.00 C ATOM 893 O SER A 56 -0.236 6.418 7.415 1.00 0.00 O ATOM 894 CB SER A 56 1.371 6.712 10.376 1.00 0.00 C ATOM 895 OG SER A 56 2.138 6.044 11.368 1.00 0.00 O ATOM 0 H SER A 56 2.137 4.443 10.426 1.00 0.00 H new ATOM 0 HA SER A 56 -0.404 5.607 9.771 1.00 0.00 H new ATOM 0 HB2 SER A 56 2.018 7.333 9.757 1.00 0.00 H new ATOM 0 HB3 SER A 56 0.646 7.377 10.846 1.00 0.00 H new ATOM 0 HG SER A 56 2.602 6.705 11.923 1.00 0.00 H new ATOM 901 N GLU A 57 1.908 5.940 7.454 1.00 0.00 N ATOM 902 CA GLU A 57 2.037 6.261 6.007 1.00 0.00 C ATOM 903 C GLU A 57 1.373 5.147 5.195 1.00 0.00 C ATOM 904 O GLU A 57 0.743 5.392 4.186 1.00 0.00 O ATOM 905 CB GLU A 57 3.539 6.343 5.720 1.00 0.00 C ATOM 906 CG GLU A 57 4.227 5.053 6.160 1.00 0.00 C ATOM 907 CD GLU A 57 5.636 5.000 5.568 1.00 0.00 C ATOM 908 OE1 GLU A 57 6.004 5.938 4.880 1.00 0.00 O ATOM 909 OE2 GLU A 57 6.323 4.021 5.810 1.00 0.00 O ATOM 0 H GLU A 57 2.767 5.641 7.915 1.00 0.00 H new ATOM 0 HA GLU A 57 1.552 7.200 5.739 1.00 0.00 H new ATOM 0 HB2 GLU A 57 3.705 6.509 4.656 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.972 7.193 6.247 1.00 0.00 H new ATOM 0 HG2 GLU A 57 4.276 5.007 7.248 1.00 0.00 H new ATOM 0 HG3 GLU A 57 3.650 4.189 5.830 1.00 0.00 H new ATOM 916 N LYS A 58 1.486 3.921 5.645 1.00 0.00 N ATOM 917 CA LYS A 58 0.835 2.800 4.908 1.00 0.00 C ATOM 918 C LYS A 58 -0.673 3.053 4.839 1.00 0.00 C ATOM 919 O LYS A 58 -1.301 2.873 3.814 1.00 0.00 O ATOM 920 CB LYS A 58 1.122 1.550 5.739 1.00 0.00 C ATOM 921 CG LYS A 58 2.521 1.023 5.417 1.00 0.00 C ATOM 922 CD LYS A 58 2.629 -0.438 5.860 1.00 0.00 C ATOM 923 CE LYS A 58 3.590 -0.549 7.047 1.00 0.00 C ATOM 924 NZ LYS A 58 4.801 -1.219 6.500 1.00 0.00 N ATOM 0 H LYS A 58 1.998 3.652 6.485 1.00 0.00 H new ATOM 0 HA LYS A 58 1.206 2.698 3.888 1.00 0.00 H new ATOM 0 HB2 LYS A 58 1.047 1.783 6.801 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.377 0.783 5.528 1.00 0.00 H new ATOM 0 HG2 LYS A 58 2.715 1.105 4.348 1.00 0.00 H new ATOM 0 HG3 LYS A 58 3.274 1.625 5.925 1.00 0.00 H new ATOM 0 HD2 LYS A 58 1.646 -0.817 6.139 1.00 0.00 H new ATOM 0 HD3 LYS A 58 2.985 -1.053 5.033 1.00 0.00 H new ATOM 0 HE2 LYS A 58 3.832 0.433 7.453 1.00 0.00 H new ATOM 0 HE3 LYS A 58 3.150 -1.129 7.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 5.342 -1.647 7.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 4.514 -1.960 5.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 5.394 -0.519 6.010 1.00 0.00 H new ATOM 938 N LYS A 59 -1.252 3.482 5.928 1.00 0.00 N ATOM 939 CA LYS A 59 -2.714 3.761 5.941 1.00 0.00 C ATOM 940 C LYS A 59 -3.000 5.019 5.121 1.00 0.00 C ATOM 941 O LYS A 59 -3.987 5.105 4.416 1.00 0.00 O ATOM 942 CB LYS A 59 -3.062 3.983 7.414 1.00 0.00 C ATOM 943 CG LYS A 59 -2.818 2.690 8.197 1.00 0.00 C ATOM 944 CD LYS A 59 -2.778 2.997 9.695 1.00 0.00 C ATOM 945 CE LYS A 59 -2.355 1.742 10.462 1.00 0.00 C ATOM 946 NZ LYS A 59 -3.620 1.181 11.012 1.00 0.00 N ATOM 0 H LYS A 59 -0.772 3.651 6.812 1.00 0.00 H new ATOM 0 HA LYS A 59 -3.302 2.952 5.508 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -2.454 4.789 7.825 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.104 4.288 7.511 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -3.608 1.970 7.984 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.878 2.235 7.884 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -2.079 3.810 9.892 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -3.758 3.331 10.035 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -1.859 1.027 9.806 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -1.652 1.985 11.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -3.486 0.942 12.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -4.380 1.885 10.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -3.878 0.323 10.483 1.00 0.00 H new ATOM 960 N GLN A 60 -2.132 5.992 5.196 1.00 0.00 N ATOM 961 CA GLN A 60 -2.343 7.236 4.406 1.00 0.00 C ATOM 962 C GLN A 60 -2.351 6.892 2.918 1.00 0.00 C ATOM 963 O GLN A 60 -3.146 7.402 2.153 1.00 0.00 O ATOM 964 CB GLN A 60 -1.151 8.132 4.744 1.00 0.00 C ATOM 965 CG GLN A 60 -1.470 8.955 5.993 1.00 0.00 C ATOM 966 CD GLN A 60 -0.480 10.116 6.106 1.00 0.00 C ATOM 967 OE1 GLN A 60 0.213 10.242 7.096 1.00 0.00 O ATOM 968 NE2 GLN A 60 -0.384 10.974 5.128 1.00 0.00 N ATOM 0 H GLN A 60 -1.288 5.978 5.769 1.00 0.00 H new ATOM 0 HA GLN A 60 -3.289 7.726 4.636 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -0.262 7.524 4.913 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -0.930 8.793 3.906 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -2.490 9.337 5.939 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -1.411 8.326 6.881 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -0.966 10.868 4.297 1.00 0.00 H new ATOM 0 HE22 GLN A 60 0.273 11.751 5.194 1.00 0.00 H new ATOM 977 N ALA A 61 -1.475 6.017 2.508 1.00 0.00 N ATOM 978 CA ALA A 61 -1.433 5.621 1.073 1.00 0.00 C ATOM 979 C ALA A 61 -2.657 4.766 0.744 1.00 0.00 C ATOM 980 O ALA A 61 -3.228 4.867 -0.324 1.00 0.00 O ATOM 981 CB ALA A 61 -0.147 4.808 0.920 1.00 0.00 C ATOM 0 H ALA A 61 -0.786 5.559 3.105 1.00 0.00 H new ATOM 0 HA ALA A 61 -1.446 6.478 0.400 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -0.045 4.479 -0.114 1.00 0.00 H new ATOM 0 HB2 ALA A 61 0.709 5.427 1.190 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -0.187 3.938 1.575 1.00 0.00 H new ATOM 987 N PHE A 62 -3.074 3.933 1.660 1.00 0.00 N ATOM 988 CA PHE A 62 -4.271 3.085 1.398 1.00 0.00 C ATOM 989 C PHE A 62 -5.509 3.975 1.283 1.00 0.00 C ATOM 990 O PHE A 62 -6.316 3.824 0.387 1.00 0.00 O ATOM 991 CB PHE A 62 -4.383 2.165 2.613 1.00 0.00 C ATOM 992 CG PHE A 62 -5.729 1.486 2.597 1.00 0.00 C ATOM 993 CD1 PHE A 62 -6.322 1.140 1.377 1.00 0.00 C ATOM 994 CD2 PHE A 62 -6.383 1.201 3.799 1.00 0.00 C ATOM 995 CE1 PHE A 62 -7.567 0.511 1.358 1.00 0.00 C ATOM 996 CE2 PHE A 62 -7.631 0.569 3.783 1.00 0.00 C ATOM 997 CZ PHE A 62 -8.225 0.225 2.561 1.00 0.00 C ATOM 0 H PHE A 62 -2.639 3.804 2.574 1.00 0.00 H new ATOM 0 HA PHE A 62 -4.189 2.517 0.471 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -3.587 1.421 2.596 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -4.263 2.739 3.532 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -5.815 1.360 0.449 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -5.925 1.469 4.740 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -8.023 0.245 0.416 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -8.136 0.346 4.711 1.00 0.00 H new ATOM 0 HZ PHE A 62 -9.190 -0.260 2.547 1.00 0.00 H new ATOM 1007 N ASN A 63 -5.653 4.920 2.170 1.00 0.00 N ATOM 1008 CA ASN A 63 -6.824 5.836 2.090 1.00 0.00 C ATOM 1009 C ASN A 63 -6.756 6.594 0.768 1.00 0.00 C ATOM 1010 O ASN A 63 -7.727 6.704 0.043 1.00 0.00 O ATOM 1011 CB ASN A 63 -6.670 6.791 3.274 1.00 0.00 C ATOM 1012 CG ASN A 63 -7.144 6.100 4.553 1.00 0.00 C ATOM 1013 OD1 ASN A 63 -7.845 5.109 4.498 1.00 0.00 O ATOM 1014 ND2 ASN A 63 -6.789 6.584 5.712 1.00 0.00 N ATOM 0 H ASN A 63 -5.013 5.097 2.944 1.00 0.00 H new ATOM 0 HA ASN A 63 -7.781 5.316 2.130 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -5.628 7.094 3.377 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -7.250 7.697 3.101 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -7.100 6.130 6.571 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -6.201 7.416 5.759 1.00 0.00 H new ATOM 1021 N ALA A 64 -5.597 7.093 0.440 1.00 0.00 N ATOM 1022 CA ALA A 64 -5.433 7.821 -0.845 1.00 0.00 C ATOM 1023 C ALA A 64 -5.709 6.857 -1.998 1.00 0.00 C ATOM 1024 O ALA A 64 -6.239 7.232 -3.025 1.00 0.00 O ATOM 1025 CB ALA A 64 -3.976 8.281 -0.860 1.00 0.00 C ATOM 0 H ALA A 64 -4.754 7.027 1.010 1.00 0.00 H new ATOM 0 HA ALA A 64 -6.115 8.665 -0.948 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.777 8.828 -1.781 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.791 8.931 -0.005 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -3.320 7.413 -0.805 1.00 0.00 H new ATOM 1031 N TYR A 65 -5.359 5.609 -1.829 1.00 0.00 N ATOM 1032 CA TYR A 65 -5.607 4.614 -2.907 1.00 0.00 C ATOM 1033 C TYR A 65 -7.112 4.504 -3.166 1.00 0.00 C ATOM 1034 O TYR A 65 -7.558 4.472 -4.296 1.00 0.00 O ATOM 1035 CB TYR A 65 -5.051 3.293 -2.367 1.00 0.00 C ATOM 1036 CG TYR A 65 -5.650 2.143 -3.139 1.00 0.00 C ATOM 1037 CD1 TYR A 65 -5.028 1.685 -4.307 1.00 0.00 C ATOM 1038 CD2 TYR A 65 -6.837 1.542 -2.693 1.00 0.00 C ATOM 1039 CE1 TYR A 65 -5.590 0.624 -5.028 1.00 0.00 C ATOM 1040 CE2 TYR A 65 -7.398 0.485 -3.416 1.00 0.00 C ATOM 1041 CZ TYR A 65 -6.775 0.026 -4.583 1.00 0.00 C ATOM 1042 OH TYR A 65 -7.330 -1.018 -5.295 1.00 0.00 O ATOM 0 H TYR A 65 -4.912 5.238 -0.990 1.00 0.00 H new ATOM 0 HA TYR A 65 -5.136 4.890 -3.850 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -3.965 3.279 -2.457 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -5.284 3.194 -1.307 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -4.116 2.149 -4.651 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -7.317 1.896 -1.792 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -5.109 0.267 -5.927 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -8.312 0.022 -3.074 1.00 0.00 H new ATOM 0 HH TYR A 65 -8.307 -0.937 -5.287 1.00 0.00 H new ATOM 1052 N LYS A 66 -7.899 4.457 -2.126 1.00 0.00 N ATOM 1053 CA LYS A 66 -9.373 4.362 -2.315 1.00 0.00 C ATOM 1054 C LYS A 66 -9.907 5.688 -2.860 1.00 0.00 C ATOM 1055 O LYS A 66 -10.888 5.729 -3.574 1.00 0.00 O ATOM 1056 CB LYS A 66 -9.940 4.085 -0.923 1.00 0.00 C ATOM 1057 CG LYS A 66 -9.294 2.829 -0.340 1.00 0.00 C ATOM 1058 CD LYS A 66 -10.197 2.262 0.758 1.00 0.00 C ATOM 1059 CE LYS A 66 -10.459 3.338 1.816 1.00 0.00 C ATOM 1060 NZ LYS A 66 -11.480 2.750 2.731 1.00 0.00 N ATOM 0 H LYS A 66 -7.585 4.480 -1.156 1.00 0.00 H new ATOM 0 HA LYS A 66 -9.654 3.583 -3.024 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -9.755 4.937 -0.269 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -11.021 3.956 -0.980 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -9.143 2.086 -1.123 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -8.311 3.067 0.067 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -11.140 1.923 0.328 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -9.726 1.393 1.218 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -9.546 3.590 2.355 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -10.823 4.258 1.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -11.499 3.288 3.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -12.416 2.793 2.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -11.237 1.759 2.931 1.00 0.00 H new ATOM 1074 N VAL A 67 -9.262 6.774 -2.529 1.00 0.00 N ATOM 1075 CA VAL A 67 -9.728 8.098 -3.032 1.00 0.00 C ATOM 1076 C VAL A 67 -9.505 8.192 -4.544 1.00 0.00 C ATOM 1077 O VAL A 67 -10.188 8.918 -5.239 1.00 0.00 O ATOM 1078 CB VAL A 67 -8.866 9.125 -2.300 1.00 0.00 C ATOM 1079 CG1 VAL A 67 -9.051 10.499 -2.946 1.00 0.00 C ATOM 1080 CG2 VAL A 67 -9.289 9.192 -0.831 1.00 0.00 C ATOM 0 H VAL A 67 -8.434 6.802 -1.933 1.00 0.00 H new ATOM 0 HA VAL A 67 -10.791 8.258 -2.854 1.00 0.00 H new ATOM 0 HB VAL A 67 -7.818 8.831 -2.364 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -8.436 11.232 -2.424 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -8.750 10.452 -3.993 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -10.099 10.793 -2.882 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -8.674 9.925 -0.308 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -10.337 9.486 -0.767 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -9.158 8.213 -0.370 1.00 0.00 H new ATOM 1090 N GLN A 68 -8.552 7.463 -5.057 1.00 0.00 N ATOM 1091 CA GLN A 68 -8.282 7.508 -6.523 1.00 0.00 C ATOM 1092 C GLN A 68 -9.226 6.559 -7.267 1.00 0.00 C ATOM 1093 O GLN A 68 -9.542 6.763 -8.422 1.00 0.00 O ATOM 1094 CB GLN A 68 -6.832 7.047 -6.673 1.00 0.00 C ATOM 1095 CG GLN A 68 -6.190 7.759 -7.865 1.00 0.00 C ATOM 1096 CD GLN A 68 -6.219 6.837 -9.085 1.00 0.00 C ATOM 1097 OE1 GLN A 68 -6.640 5.701 -8.993 1.00 0.00 O ATOM 1098 NE2 GLN A 68 -5.785 7.281 -10.233 1.00 0.00 N ATOM 0 H GLN A 68 -7.948 6.837 -4.524 1.00 0.00 H new ATOM 0 HA GLN A 68 -8.440 8.503 -6.940 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -6.274 7.265 -5.762 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -6.796 5.967 -6.818 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -6.725 8.683 -8.082 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -5.162 8.034 -7.628 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -5.432 8.235 -10.310 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -5.799 6.674 -11.053 1.00 0.00 H new ATOM 1107 N THR A 69 -9.679 5.526 -6.613 1.00 0.00 N ATOM 1108 CA THR A 69 -10.604 4.568 -7.285 1.00 0.00 C ATOM 1109 C THR A 69 -12.052 4.879 -6.900 1.00 0.00 C ATOM 1110 O THR A 69 -12.984 4.344 -7.467 1.00 0.00 O ATOM 1111 CB THR A 69 -10.195 3.188 -6.767 1.00 0.00 C ATOM 1112 OG1 THR A 69 -11.136 2.221 -7.213 1.00 0.00 O ATOM 1113 CG2 THR A 69 -10.159 3.202 -5.239 1.00 0.00 C ATOM 0 H THR A 69 -9.450 5.303 -5.644 1.00 0.00 H new ATOM 0 HA THR A 69 -10.543 4.627 -8.372 1.00 0.00 H new ATOM 0 HB THR A 69 -9.205 2.936 -7.146 1.00 0.00 H new ATOM 0 HG1 THR A 69 -10.876 1.335 -6.884 1.00 0.00 H new ATOM 0 HG21 THR A 69 -9.867 2.218 -4.873 1.00 0.00 H new ATOM 0 HG22 THR A 69 -9.437 3.944 -4.899 1.00 0.00 H new ATOM 0 HG23 THR A 69 -11.147 3.454 -4.854 1.00 0.00 H new ATOM 1121 N GLU A 70 -12.248 5.743 -5.943 1.00 0.00 N ATOM 1122 CA GLU A 70 -13.636 6.090 -5.523 1.00 0.00 C ATOM 1123 C GLU A 70 -14.467 6.504 -6.740 1.00 0.00 C ATOM 1124 O GLU A 70 -14.249 7.546 -7.327 1.00 0.00 O ATOM 1125 CB GLU A 70 -13.475 7.265 -4.558 1.00 0.00 C ATOM 1126 CG GLU A 70 -13.690 6.779 -3.123 1.00 0.00 C ATOM 1127 CD GLU A 70 -15.082 6.154 -3.000 1.00 0.00 C ATOM 1128 OE1 GLU A 70 -15.969 6.586 -3.717 1.00 0.00 O ATOM 1129 OE2 GLU A 70 -15.235 5.255 -2.190 1.00 0.00 O ATOM 0 H GLU A 70 -11.507 6.224 -5.433 1.00 0.00 H new ATOM 0 HA GLU A 70 -14.151 5.249 -5.058 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -12.481 7.700 -4.661 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -14.193 8.049 -4.799 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -12.926 6.048 -2.857 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -13.591 7.612 -2.427 1.00 0.00 H new ATOM 1136 N LYS A 71 -15.418 5.696 -7.124 1.00 0.00 N ATOM 1137 CA LYS A 71 -16.262 6.045 -8.303 1.00 0.00 C ATOM 1138 C LYS A 71 -16.648 7.526 -8.258 1.00 0.00 C ATOM 1139 O LYS A 71 -16.424 8.207 -9.245 1.00 0.00 O ATOM 1140 CB LYS A 71 -17.505 5.164 -8.177 1.00 0.00 C ATOM 1141 CG LYS A 71 -17.122 3.699 -8.397 1.00 0.00 C ATOM 1142 CD LYS A 71 -17.490 3.283 -9.822 1.00 0.00 C ATOM 1143 CE LYS A 71 -18.963 2.873 -9.873 1.00 0.00 C ATOM 1144 NZ LYS A 71 -18.950 1.441 -10.283 1.00 0.00 N ATOM 1145 OXT LYS A 71 -17.160 7.953 -7.236 1.00 0.00 O ATOM 0 H LYS A 71 -15.647 4.810 -6.673 1.00 0.00 H new ATOM 0 HA LYS A 71 -15.740 5.881 -9.246 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -17.953 5.289 -7.191 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -18.254 5.468 -8.908 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -16.053 3.563 -8.232 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -17.639 3.065 -7.677 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -17.308 4.108 -10.511 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -16.860 2.454 -10.144 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -19.442 3.001 -8.903 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -19.518 3.483 -10.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -19.926 1.087 -10.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -18.494 1.350 -11.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -18.421 0.884 -9.582 1.00 0.00 H new TER 1159 LYS A 71