USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 484 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 9 ASN : amide:sc= -7.94! K(o=-12!,f=-4.5) USER MOD Set 1.2: A 12 GLN : amide:sc= -4.22! C(o=-12!,f=-4.5!) USER MOD Set 2.1: A 2 TYR OH : rot 165:sc= -0.622 USER MOD Set 2.2: A 4 THR OG1 : rot -33:sc= 0.0711 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 152:sc= -0.112 (180deg=-0.761) USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot -55:sc= 0.0136 USER MOD Single : A 36 LYS NZ :NH3+ 159:sc= -0.22 (180deg=-1.06) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 HIS : no HD1:sc= -1.02 K(o=-1,f=-2.1) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -0.877 K(o=-0.88,f=-5.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.798 8.213 -15.230 1.00 0.00 N ATOM 2 CA MET A 1 0.112 8.612 -13.969 1.00 0.00 C ATOM 3 C MET A 1 0.387 7.564 -12.888 1.00 0.00 C ATOM 4 O MET A 1 0.151 6.388 -13.076 1.00 0.00 O ATOM 5 CB MET A 1 -1.397 8.710 -14.219 1.00 0.00 C ATOM 6 CG MET A 1 -1.971 7.319 -14.508 1.00 0.00 C ATOM 7 SD MET A 1 -3.559 7.488 -15.360 1.00 0.00 S ATOM 8 CE MET A 1 -2.913 7.480 -17.050 1.00 0.00 C ATOM 0 H1 MET A 1 0.278 8.597 -16.045 1.00 0.00 H new ATOM 0 H2 MET A 1 1.768 8.588 -15.231 1.00 0.00 H new ATOM 0 H3 MET A 1 0.827 7.176 -15.296 1.00 0.00 H new ATOM 0 HA MET A 1 0.487 9.580 -13.639 1.00 0.00 H new ATOM 0 HB2 MET A 1 -1.891 9.143 -13.349 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.592 9.375 -15.060 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.275 6.747 -15.122 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.102 6.767 -13.577 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.738 7.576 -17.755 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.225 8.316 -17.181 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.386 6.544 -17.233 1.00 0.00 H new ATOM 20 N TYR A 2 0.884 7.981 -11.755 1.00 0.00 N ATOM 21 CA TYR A 2 1.172 7.004 -10.668 1.00 0.00 C ATOM 22 C TYR A 2 -0.140 6.380 -10.186 1.00 0.00 C ATOM 23 O TYR A 2 -1.119 6.351 -10.906 1.00 0.00 O ATOM 24 CB TYR A 2 1.872 7.715 -9.506 1.00 0.00 C ATOM 25 CG TYR A 2 0.924 8.696 -8.854 1.00 0.00 C ATOM 26 CD1 TYR A 2 0.696 9.948 -9.439 1.00 0.00 C ATOM 27 CD2 TYR A 2 0.275 8.352 -7.662 1.00 0.00 C ATOM 28 CE1 TYR A 2 -0.181 10.854 -8.831 1.00 0.00 C ATOM 29 CE2 TYR A 2 -0.601 9.258 -7.055 1.00 0.00 C ATOM 30 CZ TYR A 2 -0.830 10.510 -7.639 1.00 0.00 C ATOM 31 OH TYR A 2 -1.694 11.402 -7.041 1.00 0.00 O ATOM 0 H TYR A 2 1.102 8.953 -11.536 1.00 0.00 H new ATOM 0 HA TYR A 2 1.826 6.219 -11.047 1.00 0.00 H new ATOM 0 HB2 TYR A 2 2.212 6.983 -8.773 1.00 0.00 H new ATOM 0 HB3 TYR A 2 2.757 8.238 -9.869 1.00 0.00 H new ATOM 0 HD1 TYR A 2 1.196 10.214 -10.358 1.00 0.00 H new ATOM 0 HD2 TYR A 2 0.451 7.387 -7.211 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -0.357 11.819 -9.282 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -1.101 8.992 -6.135 1.00 0.00 H new ATOM 0 HH TYR A 2 -2.236 10.934 -6.372 1.00 0.00 H new ATOM 41 N LEU A 3 -0.169 5.874 -8.976 1.00 0.00 N ATOM 42 CA LEU A 3 -1.420 5.243 -8.441 1.00 0.00 C ATOM 43 C LEU A 3 -1.687 5.767 -7.031 1.00 0.00 C ATOM 44 O LEU A 3 -0.835 5.717 -6.167 1.00 0.00 O ATOM 45 CB LEU A 3 -1.243 3.720 -8.386 1.00 0.00 C ATOM 46 CG LEU A 3 -1.014 3.161 -9.800 1.00 0.00 C ATOM 47 CD1 LEU A 3 -0.434 1.748 -9.698 1.00 0.00 C ATOM 48 CD2 LEU A 3 -2.339 3.107 -10.575 1.00 0.00 C ATOM 0 H LEU A 3 0.623 5.870 -8.333 1.00 0.00 H new ATOM 0 HA LEU A 3 -2.258 5.491 -9.092 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -0.398 3.468 -7.746 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -2.126 3.260 -7.944 1.00 0.00 H new ATOM 0 HG LEU A 3 -0.319 3.814 -10.329 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -0.270 1.349 -10.699 1.00 0.00 H new ATOM 0 HD12 LEU A 3 0.514 1.782 -9.161 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -1.132 1.106 -9.161 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -2.160 2.709 -11.574 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -3.043 2.462 -10.048 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -2.756 4.111 -10.654 1.00 0.00 H new ATOM 60 N THR A 4 -2.865 6.271 -6.793 1.00 0.00 N ATOM 61 CA THR A 4 -3.190 6.804 -5.441 1.00 0.00 C ATOM 62 C THR A 4 -3.588 5.649 -4.516 1.00 0.00 C ATOM 63 O THR A 4 -3.880 4.556 -4.959 1.00 0.00 O ATOM 64 CB THR A 4 -4.351 7.797 -5.555 1.00 0.00 C ATOM 65 OG1 THR A 4 -4.117 8.671 -6.650 1.00 0.00 O ATOM 66 CG2 THR A 4 -4.466 8.615 -4.266 1.00 0.00 C ATOM 0 H THR A 4 -3.618 6.337 -7.478 1.00 0.00 H new ATOM 0 HA THR A 4 -2.317 7.310 -5.028 1.00 0.00 H new ATOM 0 HB THR A 4 -5.279 7.248 -5.714 1.00 0.00 H new ATOM 0 HG1 THR A 4 -3.154 8.823 -6.747 1.00 0.00 H new ATOM 0 HG21 THR A 4 -5.294 9.319 -4.354 1.00 0.00 H new ATOM 0 HG22 THR A 4 -4.647 7.946 -3.425 1.00 0.00 H new ATOM 0 HG23 THR A 4 -3.539 9.164 -4.099 1.00 0.00 H new ATOM 74 N LEU A 5 -3.597 5.891 -3.233 1.00 0.00 N ATOM 75 CA LEU A 5 -3.971 4.827 -2.255 1.00 0.00 C ATOM 76 C LEU A 5 -5.195 4.058 -2.756 1.00 0.00 C ATOM 77 O LEU A 5 -5.148 2.863 -2.971 1.00 0.00 O ATOM 78 CB LEU A 5 -4.302 5.493 -0.916 1.00 0.00 C ATOM 79 CG LEU A 5 -4.323 4.450 0.216 1.00 0.00 C ATOM 80 CD1 LEU A 5 -4.431 5.172 1.568 1.00 0.00 C ATOM 81 CD2 LEU A 5 -5.518 3.488 0.044 1.00 0.00 C ATOM 0 H LEU A 5 -3.359 6.791 -2.815 1.00 0.00 H new ATOM 0 HA LEU A 5 -3.142 4.129 -2.138 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -3.564 6.264 -0.694 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -5.271 5.989 -0.980 1.00 0.00 H new ATOM 0 HG LEU A 5 -3.402 3.869 0.179 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -4.446 4.437 2.373 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -3.574 5.833 1.697 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -5.349 5.759 1.595 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -5.517 2.758 0.853 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -6.448 4.055 0.069 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -5.434 2.971 -0.912 1.00 0.00 H new ATOM 93 N GLN A 6 -6.292 4.737 -2.928 1.00 0.00 N ATOM 94 CA GLN A 6 -7.537 4.059 -3.400 1.00 0.00 C ATOM 95 C GLN A 6 -7.218 3.099 -4.553 1.00 0.00 C ATOM 96 O GLN A 6 -7.360 1.899 -4.429 1.00 0.00 O ATOM 97 CB GLN A 6 -8.537 5.112 -3.881 1.00 0.00 C ATOM 98 CG GLN A 6 -8.748 6.155 -2.781 1.00 0.00 C ATOM 99 CD GLN A 6 -9.979 7.002 -3.110 1.00 0.00 C ATOM 100 OE1 GLN A 6 -9.857 8.128 -3.548 1.00 0.00 O ATOM 101 NE2 GLN A 6 -11.170 6.504 -2.914 1.00 0.00 N ATOM 0 H GLN A 6 -6.384 5.739 -2.762 1.00 0.00 H new ATOM 0 HA GLN A 6 -7.964 3.490 -2.574 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -8.168 5.593 -4.787 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -9.486 4.639 -4.135 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -8.880 5.662 -1.818 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -7.868 6.792 -2.695 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -11.273 5.558 -2.546 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -11.997 7.061 -3.129 1.00 0.00 H new ATOM 110 N GLU A 7 -6.800 3.619 -5.675 1.00 0.00 N ATOM 111 CA GLU A 7 -6.488 2.737 -6.838 1.00 0.00 C ATOM 112 C GLU A 7 -5.306 1.820 -6.504 1.00 0.00 C ATOM 113 O GLU A 7 -5.348 0.630 -6.742 1.00 0.00 O ATOM 114 CB GLU A 7 -6.132 3.605 -8.047 1.00 0.00 C ATOM 115 CG GLU A 7 -7.404 4.242 -8.612 1.00 0.00 C ATOM 116 CD GLU A 7 -8.247 3.172 -9.309 1.00 0.00 C ATOM 117 OE1 GLU A 7 -7.725 2.520 -10.197 1.00 0.00 O ATOM 118 OE2 GLU A 7 -9.401 3.024 -8.940 1.00 0.00 O ATOM 0 H GLU A 7 -6.661 4.616 -5.837 1.00 0.00 H new ATOM 0 HA GLU A 7 -7.360 2.123 -7.065 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -5.423 4.380 -7.755 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -5.645 3.000 -8.812 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -7.978 4.706 -7.810 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -7.145 5.032 -9.317 1.00 0.00 H new ATOM 125 N TRP A 8 -4.251 2.369 -5.966 1.00 0.00 N ATOM 126 CA TRP A 8 -3.054 1.541 -5.624 1.00 0.00 C ATOM 127 C TRP A 8 -3.480 0.224 -4.968 1.00 0.00 C ATOM 128 O TRP A 8 -2.917 -0.820 -5.232 1.00 0.00 O ATOM 129 CB TRP A 8 -2.165 2.321 -4.654 1.00 0.00 C ATOM 130 CG TRP A 8 -0.938 1.526 -4.340 1.00 0.00 C ATOM 131 CD1 TRP A 8 0.209 1.550 -5.057 1.00 0.00 C ATOM 132 CD2 TRP A 8 -0.713 0.593 -3.242 1.00 0.00 C ATOM 133 NE1 TRP A 8 1.123 0.699 -4.464 1.00 0.00 N ATOM 134 CE2 TRP A 8 0.602 0.087 -3.347 1.00 0.00 C ATOM 135 CE3 TRP A 8 -1.512 0.142 -2.175 1.00 0.00 C ATOM 136 CZ2 TRP A 8 1.109 -0.829 -2.431 1.00 0.00 C ATOM 137 CZ3 TRP A 8 -1.002 -0.784 -1.249 1.00 0.00 C ATOM 138 CH2 TRP A 8 0.309 -1.268 -1.380 1.00 0.00 C ATOM 0 H TRP A 8 -4.164 3.361 -5.747 1.00 0.00 H new ATOM 0 HA TRP A 8 -2.507 1.317 -6.540 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -1.886 3.279 -5.092 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -2.714 2.537 -3.737 1.00 0.00 H new ATOM 0 HD1 TRP A 8 0.382 2.137 -5.947 1.00 0.00 H new ATOM 0 HE1 TRP A 8 2.069 0.544 -4.812 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -2.522 0.509 -2.067 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 2.119 -1.198 -2.535 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -1.622 -1.125 -0.433 1.00 0.00 H new ATOM 0 HH2 TRP A 8 0.696 -1.980 -0.666 1.00 0.00 H new ATOM 149 N ASN A 9 -4.461 0.262 -4.106 1.00 0.00 N ATOM 150 CA ASN A 9 -4.910 -0.988 -3.423 1.00 0.00 C ATOM 151 C ASN A 9 -6.013 -1.669 -4.242 1.00 0.00 C ATOM 152 O ASN A 9 -6.063 -2.879 -4.347 1.00 0.00 O ATOM 153 CB ASN A 9 -5.451 -0.628 -2.034 1.00 0.00 C ATOM 154 CG ASN A 9 -5.484 -1.876 -1.148 1.00 0.00 C ATOM 155 OD1 ASN A 9 -4.619 -2.068 -0.319 1.00 0.00 O ATOM 156 ND2 ASN A 9 -6.452 -2.737 -1.290 1.00 0.00 N ATOM 0 H ASN A 9 -4.972 1.105 -3.845 1.00 0.00 H new ATOM 0 HA ASN A 9 -4.068 -1.673 -3.329 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -4.823 0.137 -1.577 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -6.453 -0.207 -2.122 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -6.482 -3.572 -0.704 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -7.179 -2.576 -1.987 1.00 0.00 H new ATOM 163 N ALA A 10 -6.903 -0.905 -4.814 1.00 0.00 N ATOM 164 CA ALA A 10 -8.007 -1.511 -5.612 1.00 0.00 C ATOM 165 C ALA A 10 -7.439 -2.320 -6.784 1.00 0.00 C ATOM 166 O ALA A 10 -8.166 -2.983 -7.496 1.00 0.00 O ATOM 167 CB ALA A 10 -8.912 -0.400 -6.151 1.00 0.00 C ATOM 0 H ALA A 10 -6.914 0.114 -4.763 1.00 0.00 H new ATOM 0 HA ALA A 10 -8.581 -2.179 -4.970 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -9.720 -0.840 -6.735 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -9.332 0.164 -5.318 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -8.329 0.269 -6.785 1.00 0.00 H new ATOM 173 N ARG A 11 -6.150 -2.271 -6.998 1.00 0.00 N ATOM 174 CA ARG A 11 -5.550 -3.039 -8.133 1.00 0.00 C ATOM 175 C ARG A 11 -5.139 -4.434 -7.651 1.00 0.00 C ATOM 176 O ARG A 11 -4.702 -5.261 -8.426 1.00 0.00 O ATOM 177 CB ARG A 11 -4.313 -2.299 -8.661 1.00 0.00 C ATOM 178 CG ARG A 11 -4.744 -1.101 -9.517 1.00 0.00 C ATOM 179 CD ARG A 11 -3.528 -0.545 -10.260 1.00 0.00 C ATOM 180 NE ARG A 11 -2.967 -1.597 -11.153 1.00 0.00 N ATOM 181 CZ ARG A 11 -2.134 -1.271 -12.103 1.00 0.00 C ATOM 182 NH1 ARG A 11 -1.795 -0.022 -12.273 1.00 0.00 N ATOM 183 NH2 ARG A 11 -1.640 -2.193 -12.883 1.00 0.00 N ATOM 0 H ARG A 11 -5.487 -1.734 -6.438 1.00 0.00 H new ATOM 0 HA ARG A 11 -6.286 -3.132 -8.931 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -3.699 -1.959 -7.827 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -3.698 -2.977 -9.253 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -5.511 -1.406 -10.229 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -5.183 -0.328 -8.886 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -3.814 0.329 -10.845 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -2.772 -0.217 -9.547 1.00 0.00 H new ATOM 0 HE ARG A 11 -3.234 -2.573 -11.022 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -2.181 0.699 -11.663 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -1.144 0.233 -13.015 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -1.905 -3.169 -12.750 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -0.989 -1.938 -13.626 1.00 0.00 H new ATOM 197 N GLN A 12 -5.276 -4.704 -6.382 1.00 0.00 N ATOM 198 CA GLN A 12 -4.893 -6.046 -5.864 1.00 0.00 C ATOM 199 C GLN A 12 -5.946 -7.072 -6.283 1.00 0.00 C ATOM 200 O GLN A 12 -7.055 -6.727 -6.641 1.00 0.00 O ATOM 201 CB GLN A 12 -4.805 -5.998 -4.338 1.00 0.00 C ATOM 202 CG GLN A 12 -3.718 -5.003 -3.921 1.00 0.00 C ATOM 203 CD GLN A 12 -3.739 -4.832 -2.401 1.00 0.00 C ATOM 204 OE1 GLN A 12 -2.705 -4.688 -1.780 1.00 0.00 O ATOM 205 NE2 GLN A 12 -4.882 -4.844 -1.774 1.00 0.00 N ATOM 0 H GLN A 12 -5.636 -4.054 -5.683 1.00 0.00 H new ATOM 0 HA GLN A 12 -3.924 -6.331 -6.274 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -5.766 -5.701 -3.917 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -4.577 -6.989 -3.945 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -2.740 -5.360 -4.244 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -3.883 -4.042 -4.408 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -5.749 -4.965 -2.297 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -4.909 -4.732 -0.760 1.00 0.00 H new ATOM 214 N ARG A 13 -5.612 -8.332 -6.238 1.00 0.00 N ATOM 215 CA ARG A 13 -6.598 -9.377 -6.630 1.00 0.00 C ATOM 216 C ARG A 13 -7.688 -9.463 -5.560 1.00 0.00 C ATOM 217 O ARG A 13 -8.804 -9.860 -5.824 1.00 0.00 O ATOM 218 CB ARG A 13 -5.892 -10.732 -6.743 1.00 0.00 C ATOM 219 CG ARG A 13 -4.597 -10.575 -7.544 1.00 0.00 C ATOM 220 CD ARG A 13 -3.891 -11.929 -7.637 1.00 0.00 C ATOM 221 NE ARG A 13 -2.547 -11.749 -8.257 1.00 0.00 N ATOM 222 CZ ARG A 13 -1.653 -12.695 -8.161 1.00 0.00 C ATOM 223 NH1 ARG A 13 -1.934 -13.793 -7.516 1.00 0.00 N ATOM 224 NH2 ARG A 13 -0.479 -12.542 -8.708 1.00 0.00 N ATOM 0 H ARG A 13 -4.700 -8.683 -5.947 1.00 0.00 H new ATOM 0 HA ARG A 13 -7.042 -9.119 -7.591 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -5.671 -11.122 -5.749 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -6.547 -11.454 -7.230 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -4.817 -10.198 -8.543 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -3.946 -9.845 -7.064 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -3.789 -12.367 -6.644 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -4.487 -12.622 -8.231 1.00 0.00 H new ATOM 0 HE ARG A 13 -2.326 -10.887 -8.756 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -2.852 -13.912 -7.087 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -1.236 -14.533 -7.440 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -0.259 -11.683 -9.211 1.00 0.00 H new ATOM 0 HH22 ARG A 13 0.219 -13.282 -8.632 1.00 0.00 H new ATOM 238 N ARG A 14 -7.365 -9.091 -4.350 1.00 0.00 N ATOM 239 CA ARG A 14 -8.370 -9.145 -3.248 1.00 0.00 C ATOM 240 C ARG A 14 -8.035 -8.060 -2.216 1.00 0.00 C ATOM 241 O ARG A 14 -7.400 -8.330 -1.216 1.00 0.00 O ATOM 242 CB ARG A 14 -8.320 -10.531 -2.580 1.00 0.00 C ATOM 243 CG ARG A 14 -6.871 -11.045 -2.557 1.00 0.00 C ATOM 244 CD ARG A 14 -6.781 -12.375 -1.774 1.00 0.00 C ATOM 245 NE ARG A 14 -5.559 -12.368 -0.907 1.00 0.00 N ATOM 246 CZ ARG A 14 -4.394 -12.002 -1.378 1.00 0.00 C ATOM 247 NH1 ARG A 14 -4.239 -11.766 -2.652 1.00 0.00 N ATOM 248 NH2 ARG A 14 -3.370 -11.912 -0.573 1.00 0.00 N ATOM 0 H ARG A 14 -6.443 -8.750 -4.076 1.00 0.00 H new ATOM 0 HA ARG A 14 -9.370 -8.975 -3.646 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -8.710 -10.470 -1.564 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -8.955 -11.230 -3.124 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -6.515 -11.192 -3.577 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -6.222 -10.300 -2.096 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -7.673 -12.509 -1.161 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -6.742 -13.215 -2.468 1.00 0.00 H new ATOM 0 HE ARG A 14 -5.637 -12.654 0.069 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -5.029 -11.866 -3.289 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -3.328 -11.481 -3.011 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -3.480 -12.127 0.418 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -2.460 -11.627 -0.935 1.00 0.00 H new ATOM 262 N PRO A 15 -8.446 -6.837 -2.453 1.00 0.00 N ATOM 263 CA PRO A 15 -8.165 -5.710 -1.523 1.00 0.00 C ATOM 264 C PRO A 15 -9.163 -5.659 -0.363 1.00 0.00 C ATOM 265 O PRO A 15 -9.943 -6.569 -0.158 1.00 0.00 O ATOM 266 CB PRO A 15 -8.307 -4.480 -2.419 1.00 0.00 C ATOM 267 CG PRO A 15 -9.355 -4.864 -3.413 1.00 0.00 C ATOM 268 CD PRO A 15 -9.222 -6.383 -3.625 1.00 0.00 C ATOM 0 HA PRO A 15 -7.188 -5.794 -1.048 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -8.606 -3.603 -1.845 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -7.365 -4.235 -2.909 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -10.349 -4.609 -3.046 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -9.214 -4.328 -4.351 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -10.197 -6.867 -3.671 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -8.708 -6.613 -4.558 1.00 0.00 H new ATOM 276 N ARG A 16 -9.142 -4.597 0.394 1.00 0.00 N ATOM 277 CA ARG A 16 -10.079 -4.471 1.548 1.00 0.00 C ATOM 278 C ARG A 16 -10.373 -2.988 1.799 1.00 0.00 C ATOM 279 O ARG A 16 -10.118 -2.146 0.961 1.00 0.00 O ATOM 280 CB ARG A 16 -9.432 -5.084 2.797 1.00 0.00 C ATOM 281 CG ARG A 16 -9.486 -6.615 2.708 1.00 0.00 C ATOM 282 CD ARG A 16 -8.949 -7.235 4.002 1.00 0.00 C ATOM 283 NE ARG A 16 -9.447 -8.635 4.124 1.00 0.00 N ATOM 284 CZ ARG A 16 -8.884 -9.453 4.969 1.00 0.00 C ATOM 285 NH1 ARG A 16 -7.890 -9.044 5.710 1.00 0.00 N ATOM 286 NH2 ARG A 16 -9.314 -10.681 5.074 1.00 0.00 N ATOM 0 H ARG A 16 -8.512 -3.805 0.263 1.00 0.00 H new ATOM 0 HA ARG A 16 -11.009 -4.995 1.327 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -8.398 -4.751 2.883 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -9.952 -4.743 3.692 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -10.512 -6.941 2.537 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -8.896 -6.959 1.858 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -7.859 -7.224 3.999 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -9.271 -6.647 4.861 1.00 0.00 H new ATOM 0 HE ARG A 16 -10.226 -8.952 3.548 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -7.554 -8.085 5.628 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -7.450 -9.684 6.371 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -10.090 -11.001 4.495 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -8.873 -11.321 5.735 1.00 0.00 H new ATOM 300 N SER A 17 -10.906 -2.662 2.945 1.00 0.00 N ATOM 301 CA SER A 17 -11.214 -1.235 3.245 1.00 0.00 C ATOM 302 C SER A 17 -9.911 -0.438 3.349 1.00 0.00 C ATOM 303 O SER A 17 -8.903 -0.932 3.812 1.00 0.00 O ATOM 304 CB SER A 17 -11.972 -1.146 4.569 1.00 0.00 C ATOM 305 OG SER A 17 -13.225 -1.806 4.438 1.00 0.00 O ATOM 0 H SER A 17 -11.141 -3.322 3.686 1.00 0.00 H new ATOM 0 HA SER A 17 -11.827 -0.821 2.445 1.00 0.00 H new ATOM 0 HB2 SER A 17 -11.388 -1.604 5.367 1.00 0.00 H new ATOM 0 HB3 SER A 17 -12.125 -0.103 4.845 1.00 0.00 H new ATOM 0 HG SER A 17 -13.713 -1.752 5.286 1.00 0.00 H new ATOM 311 N LEU A 18 -9.921 0.792 2.921 1.00 0.00 N ATOM 312 CA LEU A 18 -8.681 1.611 3.001 1.00 0.00 C ATOM 313 C LEU A 18 -8.183 1.636 4.445 1.00 0.00 C ATOM 314 O LEU A 18 -7.024 1.895 4.706 1.00 0.00 O ATOM 315 CB LEU A 18 -8.976 3.034 2.522 1.00 0.00 C ATOM 316 CG LEU A 18 -9.794 2.988 1.226 1.00 0.00 C ATOM 317 CD1 LEU A 18 -9.854 4.389 0.615 1.00 0.00 C ATOM 318 CD2 LEU A 18 -9.137 2.024 0.228 1.00 0.00 C ATOM 0 H LEU A 18 -10.731 1.265 2.520 1.00 0.00 H new ATOM 0 HA LEU A 18 -7.911 1.175 2.365 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -9.525 3.579 3.290 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -8.043 3.572 2.355 1.00 0.00 H new ATOM 0 HG LEU A 18 -10.803 2.640 1.449 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -10.435 4.359 -0.307 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -10.326 5.073 1.320 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -8.844 4.734 0.396 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -9.723 1.996 -0.691 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -8.127 2.366 0.003 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -9.094 1.025 0.662 1.00 0.00 H new ATOM 330 N GLU A 19 -9.042 1.357 5.387 1.00 0.00 N ATOM 331 CA GLU A 19 -8.603 1.352 6.808 1.00 0.00 C ATOM 332 C GLU A 19 -7.767 0.099 7.054 1.00 0.00 C ATOM 333 O GLU A 19 -6.858 0.093 7.862 1.00 0.00 O ATOM 334 CB GLU A 19 -9.825 1.351 7.730 1.00 0.00 C ATOM 335 CG GLU A 19 -10.463 2.742 7.734 1.00 0.00 C ATOM 336 CD GLU A 19 -11.639 2.761 8.711 1.00 0.00 C ATOM 337 OE1 GLU A 19 -12.337 1.763 8.787 1.00 0.00 O ATOM 338 OE2 GLU A 19 -11.822 3.774 9.367 1.00 0.00 O ATOM 0 H GLU A 19 -10.025 1.133 5.233 1.00 0.00 H new ATOM 0 HA GLU A 19 -8.009 2.242 7.017 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -10.548 0.609 7.392 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -9.530 1.072 8.742 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -9.725 3.491 8.022 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -10.805 3.000 6.732 1.00 0.00 H new ATOM 345 N THR A 20 -8.044 -0.958 6.342 1.00 0.00 N ATOM 346 CA THR A 20 -7.238 -2.189 6.525 1.00 0.00 C ATOM 347 C THR A 20 -5.819 -1.870 6.052 1.00 0.00 C ATOM 348 O THR A 20 -4.845 -2.363 6.586 1.00 0.00 O ATOM 349 CB THR A 20 -7.852 -3.338 5.700 1.00 0.00 C ATOM 350 OG1 THR A 20 -8.886 -3.951 6.454 1.00 0.00 O ATOM 351 CG2 THR A 20 -6.791 -4.390 5.353 1.00 0.00 C ATOM 0 H THR A 20 -8.788 -1.019 5.647 1.00 0.00 H new ATOM 0 HA THR A 20 -7.223 -2.506 7.568 1.00 0.00 H new ATOM 0 HB THR A 20 -8.251 -2.927 4.773 1.00 0.00 H new ATOM 0 HG1 THR A 20 -9.281 -4.681 5.934 1.00 0.00 H new ATOM 0 HG21 THR A 20 -7.249 -5.190 4.771 1.00 0.00 H new ATOM 0 HG22 THR A 20 -5.996 -3.926 4.770 1.00 0.00 H new ATOM 0 HG23 THR A 20 -6.374 -4.803 6.272 1.00 0.00 H new ATOM 359 N VAL A 21 -5.700 -1.024 5.064 1.00 0.00 N ATOM 360 CA VAL A 21 -4.347 -0.647 4.575 1.00 0.00 C ATOM 361 C VAL A 21 -3.626 0.117 5.688 1.00 0.00 C ATOM 362 O VAL A 21 -2.445 -0.065 5.911 1.00 0.00 O ATOM 363 CB VAL A 21 -4.470 0.234 3.326 1.00 0.00 C ATOM 364 CG1 VAL A 21 -3.110 0.861 3.000 1.00 0.00 C ATOM 365 CG2 VAL A 21 -4.920 -0.627 2.144 1.00 0.00 C ATOM 0 H VAL A 21 -6.479 -0.580 4.578 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.782 -1.541 4.312 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.199 1.023 3.511 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.201 1.486 2.112 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -2.780 1.471 3.841 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.381 0.072 2.815 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.009 -0.005 1.254 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.186 -1.413 1.966 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.886 -1.078 2.369 1.00 0.00 H new ATOM 375 N ARG A 22 -4.325 0.964 6.403 1.00 0.00 N ATOM 376 CA ARG A 22 -3.660 1.714 7.506 1.00 0.00 C ATOM 377 C ARG A 22 -2.950 0.709 8.410 1.00 0.00 C ATOM 378 O ARG A 22 -1.868 0.955 8.906 1.00 0.00 O ATOM 379 CB ARG A 22 -4.705 2.483 8.318 1.00 0.00 C ATOM 380 CG ARG A 22 -5.354 3.564 7.442 1.00 0.00 C ATOM 381 CD ARG A 22 -4.321 4.637 7.057 1.00 0.00 C ATOM 382 NE ARG A 22 -5.018 5.935 6.839 1.00 0.00 N ATOM 383 CZ ARG A 22 -4.334 7.045 6.796 1.00 0.00 C ATOM 384 NH1 ARG A 22 -3.036 7.016 6.932 1.00 0.00 N ATOM 385 NH2 ARG A 22 -4.945 8.183 6.615 1.00 0.00 N ATOM 0 H ARG A 22 -5.316 1.165 6.271 1.00 0.00 H new ATOM 0 HA ARG A 22 -2.944 2.425 7.093 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -5.467 1.797 8.689 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -4.237 2.941 9.189 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -5.769 3.110 6.542 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -6.184 4.025 7.978 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -3.575 4.739 7.845 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -3.790 4.340 6.153 1.00 0.00 H new ATOM 0 HE ARG A 22 -6.031 5.956 6.723 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -2.558 6.126 7.072 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -2.500 7.883 6.899 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -5.959 8.206 6.507 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -4.409 9.050 6.582 1.00 0.00 H new ATOM 399 N ARG A 23 -3.546 -0.434 8.611 1.00 0.00 N ATOM 400 CA ARG A 23 -2.911 -1.471 9.457 1.00 0.00 C ATOM 401 C ARG A 23 -1.643 -1.948 8.744 1.00 0.00 C ATOM 402 O ARG A 23 -0.608 -2.146 9.347 1.00 0.00 O ATOM 403 CB ARG A 23 -3.909 -2.643 9.642 1.00 0.00 C ATOM 404 CG ARG A 23 -4.081 -2.984 11.126 1.00 0.00 C ATOM 405 CD ARG A 23 -4.899 -4.270 11.257 1.00 0.00 C ATOM 406 NE ARG A 23 -5.051 -4.625 12.695 1.00 0.00 N ATOM 407 CZ ARG A 23 -5.942 -5.507 13.059 1.00 0.00 C ATOM 408 NH1 ARG A 23 -6.702 -6.074 12.162 1.00 0.00 N ATOM 409 NH2 ARG A 23 -6.076 -5.820 14.318 1.00 0.00 N ATOM 0 H ARG A 23 -4.452 -0.691 8.220 1.00 0.00 H new ATOM 0 HA ARG A 23 -2.650 -1.078 10.439 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -4.874 -2.376 9.212 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -3.551 -3.520 9.102 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -3.106 -3.110 11.598 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -4.582 -2.166 11.643 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -5.880 -4.137 10.800 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -4.406 -5.082 10.722 1.00 0.00 H new ATOM 0 HE ARG A 23 -4.459 -4.179 13.396 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -6.599 -5.828 11.177 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -7.398 -6.763 12.446 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -5.484 -5.375 15.020 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -6.773 -6.509 14.601 1.00 0.00 H new ATOM 423 N TRP A 24 -1.731 -2.137 7.454 1.00 0.00 N ATOM 424 CA TRP A 24 -0.548 -2.603 6.686 1.00 0.00 C ATOM 425 C TRP A 24 0.600 -1.610 6.860 1.00 0.00 C ATOM 426 O TRP A 24 1.697 -1.973 7.236 1.00 0.00 O ATOM 427 CB TRP A 24 -0.904 -2.710 5.202 1.00 0.00 C ATOM 428 CG TRP A 24 -2.041 -3.670 4.998 1.00 0.00 C ATOM 429 CD1 TRP A 24 -2.659 -4.397 5.965 1.00 0.00 C ATOM 430 CD2 TRP A 24 -2.703 -4.015 3.748 1.00 0.00 C ATOM 431 NE1 TRP A 24 -3.654 -5.160 5.382 1.00 0.00 N ATOM 432 CE2 TRP A 24 -3.719 -4.960 4.019 1.00 0.00 C ATOM 433 CE3 TRP A 24 -2.519 -3.600 2.419 1.00 0.00 C ATOM 434 CZ2 TRP A 24 -4.525 -5.477 3.003 1.00 0.00 C ATOM 435 CZ3 TRP A 24 -3.327 -4.118 1.393 1.00 0.00 C ATOM 436 CH2 TRP A 24 -4.329 -5.054 1.686 1.00 0.00 C ATOM 0 H TRP A 24 -2.575 -1.987 6.901 1.00 0.00 H new ATOM 0 HA TRP A 24 -0.244 -3.582 7.057 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -1.177 -1.728 4.816 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -0.034 -3.044 4.637 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -2.413 -4.382 7.017 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -4.265 -5.793 5.897 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -1.751 -2.878 2.184 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -5.295 -6.199 3.234 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -3.176 -3.794 0.374 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -4.949 -5.448 0.894 1.00 0.00 H new ATOM 447 N VAL A 25 0.357 -0.358 6.586 1.00 0.00 N ATOM 448 CA VAL A 25 1.437 0.657 6.731 1.00 0.00 C ATOM 449 C VAL A 25 1.968 0.624 8.165 1.00 0.00 C ATOM 450 O VAL A 25 3.103 0.971 8.425 1.00 0.00 O ATOM 451 CB VAL A 25 0.874 2.048 6.427 1.00 0.00 C ATOM 452 CG1 VAL A 25 1.942 3.106 6.707 1.00 0.00 C ATOM 453 CG2 VAL A 25 0.463 2.121 4.955 1.00 0.00 C ATOM 0 H VAL A 25 -0.542 0.005 6.268 1.00 0.00 H new ATOM 0 HA VAL A 25 2.246 0.434 6.035 1.00 0.00 H new ATOM 0 HB VAL A 25 0.005 2.232 7.059 1.00 0.00 H new ATOM 0 HG11 VAL A 25 1.540 4.096 6.490 1.00 0.00 H new ATOM 0 HG12 VAL A 25 2.238 3.056 7.755 1.00 0.00 H new ATOM 0 HG13 VAL A 25 2.811 2.921 6.076 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.062 3.111 4.738 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.333 1.935 4.325 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.299 1.368 4.752 1.00 0.00 H new ATOM 463 N ARG A 26 1.160 0.196 9.095 1.00 0.00 N ATOM 464 CA ARG A 26 1.622 0.127 10.510 1.00 0.00 C ATOM 465 C ARG A 26 2.438 -1.152 10.703 1.00 0.00 C ATOM 466 O ARG A 26 3.436 -1.168 11.396 1.00 0.00 O ATOM 467 CB ARG A 26 0.409 0.105 11.442 1.00 0.00 C ATOM 468 CG ARG A 26 0.882 -0.003 12.894 1.00 0.00 C ATOM 469 CD ARG A 26 -0.283 0.315 13.833 1.00 0.00 C ATOM 470 NE ARG A 26 -1.382 -0.665 13.606 1.00 0.00 N ATOM 471 CZ ARG A 26 -2.351 -0.771 14.472 1.00 0.00 C ATOM 472 NH1 ARG A 26 -2.360 -0.013 15.535 1.00 0.00 N ATOM 473 NH2 ARG A 26 -3.312 -1.632 14.277 1.00 0.00 N ATOM 0 H ARG A 26 0.200 -0.109 8.936 1.00 0.00 H new ATOM 0 HA ARG A 26 2.237 0.996 10.742 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -0.183 1.011 11.308 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -0.237 -0.737 11.195 1.00 0.00 H new ATOM 0 HG2 ARG A 26 1.259 -1.006 13.091 1.00 0.00 H new ATOM 0 HG3 ARG A 26 1.706 0.688 13.072 1.00 0.00 H new ATOM 0 HD2 ARG A 26 0.049 0.272 14.870 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -0.642 1.329 13.655 1.00 0.00 H new ATOM 0 HE ARG A 26 -1.376 -1.253 12.773 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -1.610 0.661 15.687 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -3.117 -0.095 16.213 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -3.306 -2.224 13.446 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -4.069 -1.714 14.956 1.00 0.00 H new ATOM 487 N GLU A 27 2.019 -2.222 10.089 1.00 0.00 N ATOM 488 CA GLU A 27 2.762 -3.505 10.222 1.00 0.00 C ATOM 489 C GLU A 27 3.976 -3.485 9.284 1.00 0.00 C ATOM 490 O GLU A 27 4.729 -4.434 9.205 1.00 0.00 O ATOM 491 CB GLU A 27 1.827 -4.665 9.852 1.00 0.00 C ATOM 492 CG GLU A 27 2.353 -5.974 10.448 1.00 0.00 C ATOM 493 CD GLU A 27 2.166 -5.955 11.966 1.00 0.00 C ATOM 494 OE1 GLU A 27 1.034 -5.832 12.403 1.00 0.00 O ATOM 495 OE2 GLU A 27 3.159 -6.064 12.667 1.00 0.00 O ATOM 0 H GLU A 27 1.189 -2.263 9.497 1.00 0.00 H new ATOM 0 HA GLU A 27 3.107 -3.635 11.248 1.00 0.00 H new ATOM 0 HB2 GLU A 27 0.822 -4.465 10.223 1.00 0.00 H new ATOM 0 HB3 GLU A 27 1.755 -4.753 8.768 1.00 0.00 H new ATOM 0 HG2 GLU A 27 1.822 -6.822 10.016 1.00 0.00 H new ATOM 0 HG3 GLU A 27 3.407 -6.100 10.202 1.00 0.00 H new ATOM 502 N SER A 28 4.167 -2.405 8.576 1.00 0.00 N ATOM 503 CA SER A 28 5.327 -2.308 7.645 1.00 0.00 C ATOM 504 C SER A 28 5.245 -3.412 6.586 1.00 0.00 C ATOM 505 O SER A 28 6.227 -4.056 6.271 1.00 0.00 O ATOM 506 CB SER A 28 6.627 -2.448 8.438 1.00 0.00 C ATOM 507 OG SER A 28 7.701 -1.910 7.678 1.00 0.00 O ATOM 0 H SER A 28 3.566 -1.581 8.603 1.00 0.00 H new ATOM 0 HA SER A 28 5.307 -1.339 7.146 1.00 0.00 H new ATOM 0 HB2 SER A 28 6.543 -1.926 9.391 1.00 0.00 H new ATOM 0 HB3 SER A 28 6.817 -3.497 8.665 1.00 0.00 H new ATOM 0 HG SER A 28 7.730 -2.344 6.800 1.00 0.00 H new ATOM 513 N ARG A 29 4.085 -3.631 6.027 1.00 0.00 N ATOM 514 CA ARG A 29 3.939 -4.687 4.981 1.00 0.00 C ATOM 515 C ARG A 29 4.200 -4.069 3.603 1.00 0.00 C ATOM 516 O ARG A 29 4.551 -4.754 2.664 1.00 0.00 O ATOM 517 CB ARG A 29 2.513 -5.256 5.027 1.00 0.00 C ATOM 518 CG ARG A 29 2.420 -6.357 6.093 1.00 0.00 C ATOM 519 CD ARG A 29 0.964 -6.820 6.223 1.00 0.00 C ATOM 520 NE ARG A 29 0.761 -7.503 7.544 1.00 0.00 N ATOM 521 CZ ARG A 29 1.505 -8.513 7.916 1.00 0.00 C ATOM 522 NH1 ARG A 29 2.332 -9.074 7.077 1.00 0.00 N ATOM 523 NH2 ARG A 29 1.378 -9.000 9.120 1.00 0.00 N ATOM 0 H ARG A 29 3.229 -3.123 6.250 1.00 0.00 H new ATOM 0 HA ARG A 29 4.655 -5.489 5.164 1.00 0.00 H new ATOM 0 HB2 ARG A 29 1.802 -4.460 5.251 1.00 0.00 H new ATOM 0 HB3 ARG A 29 2.242 -5.659 4.051 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.057 -7.198 5.819 1.00 0.00 H new ATOM 0 HG3 ARG A 29 2.781 -5.982 7.051 1.00 0.00 H new ATOM 0 HD2 ARG A 29 0.293 -5.965 6.139 1.00 0.00 H new ATOM 0 HD3 ARG A 29 0.716 -7.502 5.409 1.00 0.00 H new ATOM 0 HE ARG A 29 0.025 -7.172 8.167 1.00 0.00 H new ATOM 0 HH11 ARG A 29 2.403 -8.726 6.121 1.00 0.00 H new ATOM 0 HH12 ARG A 29 2.907 -9.861 7.377 1.00 0.00 H new ATOM 0 HH21 ARG A 29 0.701 -8.593 9.766 1.00 0.00 H new ATOM 0 HH22 ARG A 29 1.955 -9.787 9.415 1.00 0.00 H new ATOM 537 N ILE A 30 4.023 -2.778 3.477 1.00 0.00 N ATOM 538 CA ILE A 30 4.252 -2.100 2.160 1.00 0.00 C ATOM 539 C ILE A 30 5.597 -1.369 2.189 1.00 0.00 C ATOM 540 O ILE A 30 6.117 -1.047 3.238 1.00 0.00 O ATOM 541 CB ILE A 30 3.134 -1.078 1.906 1.00 0.00 C ATOM 542 CG1 ILE A 30 1.776 -1.703 2.235 1.00 0.00 C ATOM 543 CG2 ILE A 30 3.150 -0.653 0.432 1.00 0.00 C ATOM 544 CD1 ILE A 30 0.682 -0.653 2.048 1.00 0.00 C ATOM 0 H ILE A 30 3.728 -2.159 4.233 1.00 0.00 H new ATOM 0 HA ILE A 30 4.254 -2.848 1.367 1.00 0.00 H new ATOM 0 HB ILE A 30 3.297 -0.207 2.541 1.00 0.00 H new ATOM 0 HG12 ILE A 30 1.590 -2.559 1.587 1.00 0.00 H new ATOM 0 HG13 ILE A 30 1.771 -2.072 3.261 1.00 0.00 H new ATOM 0 HG21 ILE A 30 2.356 0.072 0.254 1.00 0.00 H new ATOM 0 HG22 ILE A 30 4.113 -0.202 0.194 1.00 0.00 H new ATOM 0 HG23 ILE A 30 2.992 -1.527 -0.200 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -0.288 -1.093 2.281 1.00 0.00 H new ATOM 0 HD12 ILE A 30 0.868 0.189 2.714 1.00 0.00 H new ATOM 0 HD13 ILE A 30 0.684 -0.305 1.015 1.00 0.00 H new ATOM 556 N PHE A 31 6.157 -1.093 1.042 1.00 0.00 N ATOM 557 CA PHE A 31 7.462 -0.368 1.007 1.00 0.00 C ATOM 558 C PHE A 31 7.759 0.076 -0.439 1.00 0.00 C ATOM 559 O PHE A 31 7.542 -0.687 -1.360 1.00 0.00 O ATOM 560 CB PHE A 31 8.574 -1.306 1.492 1.00 0.00 C ATOM 561 CG PHE A 31 9.883 -0.556 1.542 1.00 0.00 C ATOM 562 CD1 PHE A 31 10.669 -0.440 0.389 1.00 0.00 C ATOM 563 CD2 PHE A 31 10.308 0.029 2.741 1.00 0.00 C ATOM 564 CE1 PHE A 31 11.880 0.262 0.435 1.00 0.00 C ATOM 565 CE2 PHE A 31 11.518 0.732 2.787 1.00 0.00 C ATOM 566 CZ PHE A 31 12.305 0.848 1.634 1.00 0.00 C ATOM 0 H PHE A 31 5.770 -1.337 0.130 1.00 0.00 H new ATOM 0 HA PHE A 31 7.415 0.508 1.654 1.00 0.00 H new ATOM 0 HB2 PHE A 31 8.329 -1.697 2.480 1.00 0.00 H new ATOM 0 HB3 PHE A 31 8.659 -2.162 0.823 1.00 0.00 H new ATOM 0 HD1 PHE A 31 10.341 -0.892 -0.536 1.00 0.00 H new ATOM 0 HD2 PHE A 31 9.702 -0.062 3.631 1.00 0.00 H new ATOM 0 HE1 PHE A 31 12.486 0.351 -0.454 1.00 0.00 H new ATOM 0 HE2 PHE A 31 11.845 1.185 3.711 1.00 0.00 H new ATOM 0 HZ PHE A 31 13.239 1.389 1.670 1.00 0.00 H new ATOM 576 N PRO A 32 8.253 1.285 -0.672 1.00 0.00 N ATOM 577 CA PRO A 32 8.564 2.314 0.381 1.00 0.00 C ATOM 578 C PRO A 32 7.290 2.980 0.926 1.00 0.00 C ATOM 579 O PRO A 32 6.247 2.933 0.304 1.00 0.00 O ATOM 580 CB PRO A 32 9.431 3.336 -0.370 1.00 0.00 C ATOM 581 CG PRO A 32 8.971 3.254 -1.787 1.00 0.00 C ATOM 582 CD PRO A 32 8.573 1.794 -2.020 1.00 0.00 C ATOM 0 HA PRO A 32 9.056 1.881 1.252 1.00 0.00 H new ATOM 0 HB2 PRO A 32 9.297 4.340 0.032 1.00 0.00 H new ATOM 0 HB3 PRO A 32 10.491 3.096 -0.283 1.00 0.00 H new ATOM 0 HG2 PRO A 32 8.127 3.921 -1.962 1.00 0.00 H new ATOM 0 HG3 PRO A 32 9.763 3.556 -2.472 1.00 0.00 H new ATOM 0 HD2 PRO A 32 7.715 1.717 -2.688 1.00 0.00 H new ATOM 0 HD3 PRO A 32 9.385 1.228 -2.477 1.00 0.00 H new ATOM 590 N PRO A 33 7.374 3.602 2.077 1.00 0.00 N ATOM 591 CA PRO A 33 6.203 4.293 2.701 1.00 0.00 C ATOM 592 C PRO A 33 5.718 5.479 1.835 1.00 0.00 C ATOM 593 O PRO A 33 6.521 6.275 1.389 1.00 0.00 O ATOM 594 CB PRO A 33 6.749 4.788 4.057 1.00 0.00 C ATOM 595 CG PRO A 33 8.235 4.840 3.883 1.00 0.00 C ATOM 596 CD PRO A 33 8.583 3.717 2.909 1.00 0.00 C ATOM 0 HA PRO A 33 5.339 3.636 2.804 1.00 0.00 H new ATOM 0 HB2 PRO A 33 6.347 5.769 4.309 1.00 0.00 H new ATOM 0 HB3 PRO A 33 6.470 4.112 4.865 1.00 0.00 H new ATOM 0 HG2 PRO A 33 8.549 5.808 3.491 1.00 0.00 H new ATOM 0 HG3 PRO A 33 8.745 4.702 4.836 1.00 0.00 H new ATOM 0 HD2 PRO A 33 9.461 3.961 2.311 1.00 0.00 H new ATOM 0 HD3 PRO A 33 8.802 2.786 3.431 1.00 0.00 H new ATOM 604 N PRO A 34 4.428 5.610 1.590 1.00 0.00 N ATOM 605 CA PRO A 34 3.881 6.729 0.764 1.00 0.00 C ATOM 606 C PRO A 34 4.578 8.067 1.038 1.00 0.00 C ATOM 607 O PRO A 34 5.321 8.212 1.989 1.00 0.00 O ATOM 608 CB PRO A 34 2.416 6.784 1.188 1.00 0.00 C ATOM 609 CG PRO A 34 2.067 5.365 1.491 1.00 0.00 C ATOM 610 CD PRO A 34 3.341 4.721 2.058 1.00 0.00 C ATOM 0 HA PRO A 34 4.028 6.560 -0.303 1.00 0.00 H new ATOM 0 HB2 PRO A 34 2.278 7.423 2.060 1.00 0.00 H new ATOM 0 HB3 PRO A 34 1.787 7.188 0.395 1.00 0.00 H new ATOM 0 HG2 PRO A 34 1.250 5.310 2.211 1.00 0.00 H new ATOM 0 HG3 PRO A 34 1.735 4.845 0.592 1.00 0.00 H new ATOM 0 HD2 PRO A 34 3.311 4.666 3.146 1.00 0.00 H new ATOM 0 HD3 PRO A 34 3.471 3.703 1.691 1.00 0.00 H new ATOM 618 N VAL A 35 4.339 9.045 0.207 1.00 0.00 N ATOM 619 CA VAL A 35 4.981 10.376 0.409 1.00 0.00 C ATOM 620 C VAL A 35 4.137 11.219 1.367 1.00 0.00 C ATOM 621 O VAL A 35 2.954 11.407 1.165 1.00 0.00 O ATOM 622 CB VAL A 35 5.089 11.094 -0.943 1.00 0.00 C ATOM 623 CG1 VAL A 35 5.458 12.568 -0.726 1.00 0.00 C ATOM 624 CG2 VAL A 35 6.170 10.418 -1.787 1.00 0.00 C ATOM 0 H VAL A 35 3.725 8.980 -0.605 1.00 0.00 H new ATOM 0 HA VAL A 35 5.975 10.238 0.834 1.00 0.00 H new ATOM 0 HB VAL A 35 4.130 11.039 -1.458 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.533 13.070 -1.691 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.688 13.051 -0.124 1.00 0.00 H new ATOM 0 HG13 VAL A 35 6.416 12.631 -0.209 1.00 0.00 H new ATOM 0 HG21 VAL A 35 6.251 10.925 -2.749 1.00 0.00 H new ATOM 0 HG22 VAL A 35 7.126 10.474 -1.266 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.905 9.373 -1.948 1.00 0.00 H new ATOM 634 N LYS A 36 4.754 11.745 2.390 1.00 0.00 N ATOM 635 CA LYS A 36 4.027 12.601 3.357 1.00 0.00 C ATOM 636 C LYS A 36 3.774 13.956 2.698 1.00 0.00 C ATOM 637 O LYS A 36 4.376 14.950 3.051 1.00 0.00 O ATOM 638 CB LYS A 36 4.913 12.800 4.595 1.00 0.00 C ATOM 639 CG LYS A 36 4.911 11.534 5.494 1.00 0.00 C ATOM 640 CD LYS A 36 4.138 11.802 6.796 1.00 0.00 C ATOM 641 CE LYS A 36 4.253 10.594 7.732 1.00 0.00 C ATOM 642 NZ LYS A 36 5.679 10.178 7.845 1.00 0.00 N ATOM 0 H LYS A 36 5.744 11.613 2.595 1.00 0.00 H new ATOM 0 HA LYS A 36 3.082 12.141 3.648 1.00 0.00 H new ATOM 0 HB2 LYS A 36 5.933 13.027 4.283 1.00 0.00 H new ATOM 0 HB3 LYS A 36 4.556 13.657 5.167 1.00 0.00 H new ATOM 0 HG2 LYS A 36 4.456 10.701 4.958 1.00 0.00 H new ATOM 0 HG3 LYS A 36 5.936 11.243 5.725 1.00 0.00 H new ATOM 0 HD2 LYS A 36 4.533 12.692 7.287 1.00 0.00 H new ATOM 0 HD3 LYS A 36 3.090 12.000 6.572 1.00 0.00 H new ATOM 0 HE2 LYS A 36 3.859 10.846 8.716 1.00 0.00 H new ATOM 0 HE3 LYS A 36 3.653 9.768 7.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 5.811 9.622 8.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 5.938 9.598 7.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 6.285 11.022 7.879 1.00 0.00 H new ATOM 656 N ASP A 37 2.906 13.999 1.727 1.00 0.00 N ATOM 657 CA ASP A 37 2.639 15.286 1.030 1.00 0.00 C ATOM 658 C ASP A 37 1.998 16.290 1.995 1.00 0.00 C ATOM 659 O ASP A 37 0.854 16.672 1.846 1.00 0.00 O ATOM 660 CB ASP A 37 1.718 15.037 -0.169 1.00 0.00 C ATOM 661 CG ASP A 37 2.043 13.676 -0.783 1.00 0.00 C ATOM 662 OD1 ASP A 37 1.560 12.684 -0.263 1.00 0.00 O ATOM 663 OD2 ASP A 37 2.766 13.650 -1.764 1.00 0.00 O ATOM 0 H ASP A 37 2.371 13.200 1.387 1.00 0.00 H new ATOM 0 HA ASP A 37 3.581 15.704 0.676 1.00 0.00 H new ATOM 0 HB2 ASP A 37 0.675 15.066 0.147 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.848 15.824 -0.912 1.00 0.00 H new ATOM 668 N GLY A 38 2.741 16.726 2.976 1.00 0.00 N ATOM 669 CA GLY A 38 2.213 17.718 3.952 1.00 0.00 C ATOM 670 C GLY A 38 1.064 17.118 4.760 1.00 0.00 C ATOM 671 O GLY A 38 1.121 17.044 5.972 1.00 0.00 O ATOM 0 H GLY A 38 3.703 16.432 3.143 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.011 18.035 4.624 1.00 0.00 H new ATOM 0 HA3 GLY A 38 1.868 18.607 3.424 1.00 0.00 H new ATOM 675 N ARG A 39 0.015 16.706 4.105 1.00 0.00 N ATOM 676 CA ARG A 39 -1.153 16.128 4.845 1.00 0.00 C ATOM 677 C ARG A 39 -1.829 15.043 4.004 1.00 0.00 C ATOM 678 O ARG A 39 -3.007 14.783 4.150 1.00 0.00 O ATOM 679 CB ARG A 39 -2.168 17.237 5.141 1.00 0.00 C ATOM 680 CG ARG A 39 -1.453 18.445 5.752 1.00 0.00 C ATOM 681 CD ARG A 39 -2.486 19.477 6.206 1.00 0.00 C ATOM 682 NE ARG A 39 -1.787 20.727 6.616 1.00 0.00 N ATOM 683 CZ ARG A 39 -2.457 21.840 6.736 1.00 0.00 C ATOM 684 NH1 ARG A 39 -3.739 21.860 6.496 1.00 0.00 N ATOM 685 NH2 ARG A 39 -1.843 22.934 7.096 1.00 0.00 N ATOM 0 H ARG A 39 -0.089 16.742 3.091 1.00 0.00 H new ATOM 0 HA ARG A 39 -0.797 15.689 5.777 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -2.678 17.530 4.223 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -2.932 16.870 5.826 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -0.843 18.129 6.598 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -0.778 18.889 5.021 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -3.186 19.687 5.398 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -3.069 19.083 7.039 1.00 0.00 H new ATOM 0 HE ARG A 39 -0.784 20.713 6.803 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -4.219 21.005 6.214 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -4.262 22.731 6.590 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -0.840 22.918 7.283 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -2.366 23.805 7.190 1.00 0.00 H new ATOM 699 N GLU A 40 -1.100 14.397 3.133 1.00 0.00 N ATOM 700 CA GLU A 40 -1.710 13.317 2.293 1.00 0.00 C ATOM 701 C GLU A 40 -0.688 12.204 2.071 1.00 0.00 C ATOM 702 O GLU A 40 0.410 12.236 2.591 1.00 0.00 O ATOM 703 CB GLU A 40 -2.161 13.897 0.935 1.00 0.00 C ATOM 704 CG GLU A 40 -3.623 14.341 1.016 1.00 0.00 C ATOM 705 CD GLU A 40 -3.956 15.245 -0.173 1.00 0.00 C ATOM 706 OE1 GLU A 40 -3.866 14.772 -1.295 1.00 0.00 O ATOM 707 OE2 GLU A 40 -4.297 16.394 0.057 1.00 0.00 O ATOM 0 H GLU A 40 -0.109 14.568 2.965 1.00 0.00 H new ATOM 0 HA GLU A 40 -2.580 12.909 2.808 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -1.530 14.743 0.664 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -2.043 13.147 0.153 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.278 13.470 1.017 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -3.800 14.874 1.950 1.00 0.00 H new ATOM 714 N TYR A 41 -1.058 11.208 1.310 1.00 0.00 N ATOM 715 CA TYR A 41 -0.130 10.065 1.055 1.00 0.00 C ATOM 716 C TYR A 41 -0.233 9.619 -0.400 1.00 0.00 C ATOM 717 O TYR A 41 -1.206 9.016 -0.808 1.00 0.00 O ATOM 718 CB TYR A 41 -0.517 8.897 1.961 1.00 0.00 C ATOM 719 CG TYR A 41 -0.273 9.285 3.398 1.00 0.00 C ATOM 720 CD1 TYR A 41 1.031 9.527 3.838 1.00 0.00 C ATOM 721 CD2 TYR A 41 -1.348 9.411 4.288 1.00 0.00 C ATOM 722 CE1 TYR A 41 1.266 9.895 5.164 1.00 0.00 C ATOM 723 CE2 TYR A 41 -1.113 9.781 5.617 1.00 0.00 C ATOM 724 CZ TYR A 41 0.194 10.023 6.056 1.00 0.00 C ATOM 725 OH TYR A 41 0.427 10.390 7.366 1.00 0.00 O ATOM 0 H TYR A 41 -1.966 11.136 0.852 1.00 0.00 H new ATOM 0 HA TYR A 41 0.892 10.382 1.262 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -1.566 8.639 1.814 1.00 0.00 H new ATOM 0 HB3 TYR A 41 0.068 8.013 1.706 1.00 0.00 H new ATOM 0 HD1 TYR A 41 1.859 9.429 3.151 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -2.356 9.223 3.949 1.00 0.00 H new ATOM 0 HE1 TYR A 41 2.275 10.081 5.502 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -1.940 9.880 6.304 1.00 0.00 H new ATOM 0 HH TYR A 41 -0.424 10.434 7.850 1.00 0.00 H new ATOM 735 N LEU A 42 0.774 9.892 -1.185 1.00 0.00 N ATOM 736 CA LEU A 42 0.740 9.460 -2.615 1.00 0.00 C ATOM 737 C LEU A 42 1.358 8.066 -2.710 1.00 0.00 C ATOM 738 O LEU A 42 2.470 7.841 -2.275 1.00 0.00 O ATOM 739 CB LEU A 42 1.544 10.435 -3.478 1.00 0.00 C ATOM 740 CG LEU A 42 0.883 11.822 -3.461 1.00 0.00 C ATOM 741 CD1 LEU A 42 1.783 12.823 -4.197 1.00 0.00 C ATOM 742 CD2 LEU A 42 -0.496 11.766 -4.151 1.00 0.00 C ATOM 0 H LEU A 42 1.616 10.393 -0.901 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.290 9.445 -2.973 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.566 10.506 -3.105 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.603 10.064 -4.501 1.00 0.00 H new ATOM 0 HG LEU A 42 0.747 12.138 -2.427 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.316 13.808 -4.186 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.752 12.875 -3.700 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.921 12.498 -5.228 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.953 12.755 -4.132 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.373 11.443 -5.185 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.138 11.060 -3.625 1.00 0.00 H new ATOM 754 N PHE A 43 0.647 7.124 -3.268 1.00 0.00 N ATOM 755 CA PHE A 43 1.195 5.739 -3.378 1.00 0.00 C ATOM 756 C PHE A 43 1.906 5.588 -4.726 1.00 0.00 C ATOM 757 O PHE A 43 1.375 5.028 -5.664 1.00 0.00 O ATOM 758 CB PHE A 43 0.037 4.728 -3.262 1.00 0.00 C ATOM 759 CG PHE A 43 -0.171 4.356 -1.809 1.00 0.00 C ATOM 760 CD1 PHE A 43 -0.871 5.219 -0.953 1.00 0.00 C ATOM 761 CD2 PHE A 43 0.359 3.157 -1.312 1.00 0.00 C ATOM 762 CE1 PHE A 43 -1.039 4.881 0.393 1.00 0.00 C ATOM 763 CE2 PHE A 43 0.183 2.819 0.035 1.00 0.00 C ATOM 764 CZ PHE A 43 -0.514 3.681 0.887 1.00 0.00 C ATOM 0 H PHE A 43 -0.289 7.252 -3.653 1.00 0.00 H new ATOM 0 HA PHE A 43 1.910 5.550 -2.578 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -0.877 5.158 -3.672 1.00 0.00 H new ATOM 0 HB3 PHE A 43 0.260 3.836 -3.848 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -1.280 6.144 -1.333 1.00 0.00 H new ATOM 0 HD2 PHE A 43 0.903 2.494 -1.968 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -1.575 5.547 1.053 1.00 0.00 H new ATOM 0 HE2 PHE A 43 0.586 1.892 0.416 1.00 0.00 H new ATOM 0 HZ PHE A 43 -0.647 3.421 1.927 1.00 0.00 H new ATOM 774 N HIS A 44 3.111 6.081 -4.819 1.00 0.00 N ATOM 775 CA HIS A 44 3.869 5.967 -6.095 1.00 0.00 C ATOM 776 C HIS A 44 3.825 4.518 -6.581 1.00 0.00 C ATOM 777 O HIS A 44 3.865 3.591 -5.797 1.00 0.00 O ATOM 778 CB HIS A 44 5.324 6.381 -5.857 1.00 0.00 C ATOM 779 CG HIS A 44 6.033 6.498 -7.178 1.00 0.00 C ATOM 780 ND1 HIS A 44 5.361 6.782 -8.355 1.00 0.00 N ATOM 781 CD2 HIS A 44 7.356 6.373 -7.522 1.00 0.00 C ATOM 782 CE1 HIS A 44 6.272 6.816 -9.344 1.00 0.00 C ATOM 783 NE2 HIS A 44 7.504 6.574 -8.891 1.00 0.00 N ATOM 0 H HIS A 44 3.603 6.559 -4.064 1.00 0.00 H new ATOM 0 HA HIS A 44 3.423 6.617 -6.847 1.00 0.00 H new ATOM 0 HB2 HIS A 44 5.361 7.333 -5.327 1.00 0.00 H new ATOM 0 HB3 HIS A 44 5.824 5.646 -5.227 1.00 0.00 H new ATOM 0 HD2 HIS A 44 8.160 6.152 -6.835 1.00 0.00 H new ATOM 0 HE1 HIS A 44 6.035 7.015 -10.379 1.00 0.00 H new ATOM 0 HE2 HIS A 44 8.368 6.543 -9.432 1.00 0.00 H new ATOM 791 N GLU A 45 3.746 4.312 -7.866 1.00 0.00 N ATOM 792 CA GLU A 45 3.702 2.918 -8.393 1.00 0.00 C ATOM 793 C GLU A 45 4.856 2.110 -7.794 1.00 0.00 C ATOM 794 O GLU A 45 4.928 0.907 -7.944 1.00 0.00 O ATOM 795 CB GLU A 45 3.838 2.943 -9.917 1.00 0.00 C ATOM 796 CG GLU A 45 5.214 3.494 -10.297 1.00 0.00 C ATOM 797 CD GLU A 45 5.225 3.865 -11.781 1.00 0.00 C ATOM 798 OE1 GLU A 45 4.289 4.515 -12.216 1.00 0.00 O ATOM 799 OE2 GLU A 45 6.170 3.494 -12.458 1.00 0.00 O ATOM 0 H GLU A 45 3.710 5.046 -8.573 1.00 0.00 H new ATOM 0 HA GLU A 45 2.753 2.457 -8.120 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.713 1.938 -10.321 1.00 0.00 H new ATOM 0 HB3 GLU A 45 3.054 3.562 -10.353 1.00 0.00 H new ATOM 0 HG2 GLU A 45 5.447 4.370 -9.691 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.984 2.751 -10.092 1.00 0.00 H new ATOM 806 N SER A 46 5.761 2.763 -7.118 1.00 0.00 N ATOM 807 CA SER A 46 6.909 2.034 -6.512 1.00 0.00 C ATOM 808 C SER A 46 6.452 1.322 -5.236 1.00 0.00 C ATOM 809 O SER A 46 7.174 0.527 -4.669 1.00 0.00 O ATOM 810 CB SER A 46 8.019 3.029 -6.169 1.00 0.00 C ATOM 811 OG SER A 46 7.722 3.655 -4.927 1.00 0.00 O ATOM 0 H SER A 46 5.754 3.771 -6.959 1.00 0.00 H new ATOM 0 HA SER A 46 7.284 1.297 -7.222 1.00 0.00 H new ATOM 0 HB2 SER A 46 8.978 2.515 -6.110 1.00 0.00 H new ATOM 0 HB3 SER A 46 8.107 3.779 -6.955 1.00 0.00 H new ATOM 0 HG SER A 46 8.432 4.292 -4.704 1.00 0.00 H new ATOM 817 N ALA A 47 5.258 1.594 -4.781 1.00 0.00 N ATOM 818 CA ALA A 47 4.766 0.925 -3.545 1.00 0.00 C ATOM 819 C ALA A 47 4.277 -0.479 -3.894 1.00 0.00 C ATOM 820 O ALA A 47 3.750 -0.717 -4.963 1.00 0.00 O ATOM 821 CB ALA A 47 3.621 1.740 -2.941 1.00 0.00 C ATOM 0 H ALA A 47 4.605 2.249 -5.211 1.00 0.00 H new ATOM 0 HA ALA A 47 5.575 0.856 -2.818 1.00 0.00 H new ATOM 0 HB1 ALA A 47 3.262 1.249 -2.037 1.00 0.00 H new ATOM 0 HB2 ALA A 47 3.977 2.740 -2.694 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.807 1.813 -3.662 1.00 0.00 H new ATOM 827 N VAL A 48 4.452 -1.412 -3.001 1.00 0.00 N ATOM 828 CA VAL A 48 4.007 -2.807 -3.276 1.00 0.00 C ATOM 829 C VAL A 48 3.708 -3.508 -1.953 1.00 0.00 C ATOM 830 O VAL A 48 4.338 -3.244 -0.946 1.00 0.00 O ATOM 831 CB VAL A 48 5.126 -3.562 -3.989 1.00 0.00 C ATOM 832 CG1 VAL A 48 5.359 -2.955 -5.373 1.00 0.00 C ATOM 833 CG2 VAL A 48 6.403 -3.453 -3.155 1.00 0.00 C ATOM 0 H VAL A 48 4.886 -1.268 -2.089 1.00 0.00 H new ATOM 0 HA VAL A 48 3.114 -2.788 -3.900 1.00 0.00 H new ATOM 0 HB VAL A 48 4.849 -4.610 -4.106 1.00 0.00 H new ATOM 0 HG11 VAL A 48 6.158 -3.497 -5.878 1.00 0.00 H new ATOM 0 HG12 VAL A 48 4.444 -3.027 -5.961 1.00 0.00 H new ATOM 0 HG13 VAL A 48 5.641 -1.907 -5.268 1.00 0.00 H new ATOM 0 HG21 VAL A 48 7.210 -3.989 -3.654 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.677 -2.404 -3.045 1.00 0.00 H new ATOM 0 HG23 VAL A 48 6.233 -3.889 -2.170 1.00 0.00 H new ATOM 843 N LYS A 49 2.765 -4.411 -1.949 1.00 0.00 N ATOM 844 CA LYS A 49 2.439 -5.144 -0.690 1.00 0.00 C ATOM 845 C LYS A 49 3.433 -6.302 -0.522 1.00 0.00 C ATOM 846 O LYS A 49 3.607 -7.120 -1.401 1.00 0.00 O ATOM 847 CB LYS A 49 0.984 -5.680 -0.737 1.00 0.00 C ATOM 848 CG LYS A 49 0.492 -5.815 -2.186 1.00 0.00 C ATOM 849 CD LYS A 49 1.357 -6.828 -2.945 1.00 0.00 C ATOM 850 CE LYS A 49 0.637 -7.258 -4.227 1.00 0.00 C ATOM 851 NZ LYS A 49 1.520 -8.163 -5.014 1.00 0.00 N ATOM 0 H LYS A 49 2.207 -4.673 -2.761 1.00 0.00 H new ATOM 0 HA LYS A 49 2.519 -4.467 0.160 1.00 0.00 H new ATOM 0 HB2 LYS A 49 0.934 -6.649 -0.241 1.00 0.00 H new ATOM 0 HB3 LYS A 49 0.327 -5.006 -0.188 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -0.550 -6.135 -2.196 1.00 0.00 H new ATOM 0 HG3 LYS A 49 0.532 -4.846 -2.684 1.00 0.00 H new ATOM 0 HD2 LYS A 49 2.323 -6.386 -3.189 1.00 0.00 H new ATOM 0 HD3 LYS A 49 1.553 -7.697 -2.317 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -0.295 -7.766 -3.980 1.00 0.00 H new ATOM 0 HE3 LYS A 49 0.375 -6.382 -4.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 1.031 -8.455 -5.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 2.398 -7.663 -5.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 1.749 -9.004 -4.447 1.00 0.00 H new ATOM 865 N VAL A 50 4.092 -6.368 0.604 1.00 0.00 N ATOM 866 CA VAL A 50 5.082 -7.464 0.837 1.00 0.00 C ATOM 867 C VAL A 50 4.369 -8.668 1.450 1.00 0.00 C ATOM 868 O VAL A 50 3.264 -8.569 1.945 1.00 0.00 O ATOM 869 CB VAL A 50 6.179 -6.989 1.792 1.00 0.00 C ATOM 870 CG1 VAL A 50 7.255 -8.073 1.920 1.00 0.00 C ATOM 871 CG2 VAL A 50 6.817 -5.698 1.256 1.00 0.00 C ATOM 0 H VAL A 50 3.988 -5.709 1.376 1.00 0.00 H new ATOM 0 HA VAL A 50 5.533 -7.744 -0.115 1.00 0.00 H new ATOM 0 HB VAL A 50 5.739 -6.794 2.770 1.00 0.00 H new ATOM 0 HG11 VAL A 50 8.035 -7.733 2.601 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.806 -8.987 2.310 1.00 0.00 H new ATOM 0 HG13 VAL A 50 7.690 -8.272 0.940 1.00 0.00 H new ATOM 0 HG21 VAL A 50 7.597 -5.366 1.941 1.00 0.00 H new ATOM 0 HG22 VAL A 50 7.252 -5.887 0.275 1.00 0.00 H new ATOM 0 HG23 VAL A 50 6.055 -4.923 1.171 1.00 0.00 H new ATOM 881 N ASP A 51 4.997 -9.808 1.413 1.00 0.00 N ATOM 882 CA ASP A 51 4.369 -11.034 1.983 1.00 0.00 C ATOM 883 C ASP A 51 4.572 -11.059 3.501 1.00 0.00 C ATOM 884 O ASP A 51 3.955 -10.309 4.231 1.00 0.00 O ATOM 885 CB ASP A 51 5.019 -12.270 1.355 1.00 0.00 C ATOM 886 CG ASP A 51 4.831 -12.227 -0.163 1.00 0.00 C ATOM 887 OD1 ASP A 51 4.278 -11.253 -0.644 1.00 0.00 O ATOM 888 OD2 ASP A 51 5.244 -13.171 -0.818 1.00 0.00 O ATOM 0 H ASP A 51 5.924 -9.946 1.010 1.00 0.00 H new ATOM 0 HA ASP A 51 3.301 -11.033 1.766 1.00 0.00 H new ATOM 0 HB2 ASP A 51 6.081 -12.301 1.600 1.00 0.00 H new ATOM 0 HB3 ASP A 51 4.571 -13.177 1.762 1.00 0.00 H new ATOM 893 N LEU A 52 5.433 -11.917 3.984 1.00 0.00 N ATOM 894 CA LEU A 52 5.678 -11.992 5.458 1.00 0.00 C ATOM 895 C LEU A 52 7.116 -12.447 5.717 1.00 0.00 C ATOM 896 O LEU A 52 7.353 -13.471 6.325 1.00 0.00 O ATOM 897 CB LEU A 52 4.709 -12.995 6.105 1.00 0.00 C ATOM 898 CG LEU A 52 4.745 -14.349 5.348 1.00 0.00 C ATOM 899 CD1 LEU A 52 4.540 -15.510 6.332 1.00 0.00 C ATOM 900 CD2 LEU A 52 3.632 -14.391 4.285 1.00 0.00 C ATOM 0 H LEU A 52 5.978 -12.570 3.422 1.00 0.00 H new ATOM 0 HA LEU A 52 5.518 -11.005 5.892 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.979 -13.148 7.150 1.00 0.00 H new ATOM 0 HB3 LEU A 52 3.697 -12.591 6.093 1.00 0.00 H new ATOM 0 HG LEU A 52 5.717 -14.448 4.864 1.00 0.00 H new ATOM 0 HD11 LEU A 52 4.567 -16.455 5.790 1.00 0.00 H new ATOM 0 HD12 LEU A 52 5.333 -15.498 7.080 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.574 -15.402 6.826 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.666 -15.345 3.760 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.662 -14.278 4.769 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.779 -13.579 3.572 1.00 0.00 H new ATOM 912 N ASN A 53 8.079 -11.691 5.266 1.00 0.00 N ATOM 913 CA ASN A 53 9.501 -12.078 5.493 1.00 0.00 C ATOM 914 C ASN A 53 9.721 -13.521 5.038 1.00 0.00 C ATOM 915 O ASN A 53 10.569 -14.217 5.558 1.00 0.00 O ATOM 916 CB ASN A 53 9.829 -11.962 6.983 1.00 0.00 C ATOM 917 CG ASN A 53 9.524 -10.542 7.464 1.00 0.00 C ATOM 918 OD1 ASN A 53 8.872 -9.784 6.776 1.00 0.00 O ATOM 919 ND2 ASN A 53 9.970 -10.149 8.625 1.00 0.00 N ATOM 0 H ASN A 53 7.943 -10.822 4.750 1.00 0.00 H new ATOM 0 HA ASN A 53 10.150 -11.415 4.922 1.00 0.00 H new ATOM 0 HB2 ASN A 53 9.243 -12.684 7.552 1.00 0.00 H new ATOM 0 HB3 ASN A 53 10.879 -12.198 7.154 1.00 0.00 H new ATOM 0 HD21 ASN A 53 9.771 -9.205 8.955 1.00 0.00 H new ATOM 0 HD22 ASN A 53 10.518 -10.786 9.203 1.00 0.00 H new ATOM 926 N ARG A 54 8.963 -13.972 4.073 1.00 0.00 N ATOM 927 CA ARG A 54 9.120 -15.373 3.575 1.00 0.00 C ATOM 928 C ARG A 54 8.829 -16.361 4.724 1.00 0.00 C ATOM 929 O ARG A 54 9.362 -16.214 5.806 1.00 0.00 O ATOM 930 CB ARG A 54 10.557 -15.580 3.075 1.00 0.00 C ATOM 931 CG ARG A 54 10.618 -16.819 2.177 1.00 0.00 C ATOM 932 CD ARG A 54 12.059 -17.036 1.710 1.00 0.00 C ATOM 933 NE ARG A 54 12.548 -15.813 1.013 1.00 0.00 N ATOM 934 CZ ARG A 54 13.826 -15.650 0.801 1.00 0.00 C ATOM 935 NH1 ARG A 54 14.675 -16.556 1.203 1.00 0.00 N ATOM 936 NH2 ARG A 54 14.255 -14.579 0.190 1.00 0.00 N ATOM 0 H ARG A 54 8.238 -13.428 3.605 1.00 0.00 H new ATOM 0 HA ARG A 54 8.421 -15.549 2.757 1.00 0.00 H new ATOM 0 HB2 ARG A 54 10.890 -14.702 2.522 1.00 0.00 H new ATOM 0 HB3 ARG A 54 11.233 -15.699 3.922 1.00 0.00 H new ATOM 0 HG2 ARG A 54 10.265 -17.695 2.722 1.00 0.00 H new ATOM 0 HG3 ARG A 54 9.960 -16.692 1.317 1.00 0.00 H new ATOM 0 HD2 ARG A 54 12.699 -17.261 2.564 1.00 0.00 H new ATOM 0 HD3 ARG A 54 12.109 -17.894 1.039 1.00 0.00 H new ATOM 0 HE ARG A 54 11.885 -15.104 0.702 1.00 0.00 H new ATOM 0 HH11 ARG A 54 14.340 -17.392 1.683 1.00 0.00 H new ATOM 0 HH12 ARG A 54 15.673 -16.429 1.037 1.00 0.00 H new ATOM 0 HH21 ARG A 54 13.592 -13.870 -0.122 1.00 0.00 H new ATOM 0 HH22 ARG A 54 15.253 -14.452 0.024 1.00 0.00 H new ATOM 950 N PRO A 55 7.998 -17.365 4.514 1.00 0.00 N ATOM 951 CA PRO A 55 7.676 -18.356 5.583 1.00 0.00 C ATOM 952 C PRO A 55 8.824 -19.348 5.811 1.00 0.00 C ATOM 953 O PRO A 55 9.202 -19.534 6.956 1.00 0.00 O ATOM 954 CB PRO A 55 6.431 -19.072 5.043 1.00 0.00 C ATOM 955 CG PRO A 55 6.570 -19.000 3.557 1.00 0.00 C ATOM 956 CD PRO A 55 7.278 -17.673 3.259 1.00 0.00 C ATOM 957 OXT PRO A 55 9.305 -19.902 4.836 1.00 0.00 O ATOM 0 HA PRO A 55 7.515 -17.883 6.552 1.00 0.00 H new ATOM 0 HB2 PRO A 55 6.387 -20.105 5.387 1.00 0.00 H new ATOM 0 HB3 PRO A 55 5.516 -18.585 5.380 1.00 0.00 H new ATOM 0 HG2 PRO A 55 7.148 -19.843 3.178 1.00 0.00 H new ATOM 0 HG3 PRO A 55 5.595 -19.039 3.072 1.00 0.00 H new ATOM 0 HD2 PRO A 55 7.964 -17.766 2.417 1.00 0.00 H new ATOM 0 HD3 PRO A 55 6.566 -16.888 3.004 1.00 0.00 H new TER 965 PRO A 55