USER MOD reduce.3.24.130724 H: found=0, std=0, add=804, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 804 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 66 ASN : amide:sc= -2.15 K(o=-3.6,f=-3) USER MOD Set 1.2: A 87 SER OG : rot -54:sc= -1.44 USER MOD Set 2.1: A 53 TYR OH : rot 29:sc= -3.66 USER MOD Set 2.2: A 81 HIS : no HE2:sc= -7.72! C(o=-23!,f=-28!) USER MOD Set 2.3: A 88 HIS : no HE2:sc= -11.7! C(o=-23!,f=-25!) USER MOD Single : A 1 SER N :NH3+ -110:sc= 0.0766 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 8 CYS SG : rot 180:sc= -0.121 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.94 K(o=-0.94,f=-0.32!) USER MOD Single : A 23 ASN : amide:sc= -10.4! C(o=-10!,f=-15!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 132:sc= 1.32 USER MOD Single : A 35 LYS NZ :NH3+ -163:sc= -0.0899 (180deg=-0.534) USER MOD Single : A 37 SER OG : rot 180:sc= -0.0437 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 130:sc= -8.85! USER MOD Single : A 47 THR OG1 : rot -26:sc= 0.175 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.0046) USER MOD Single : A 52 HIS : no HE2:sc= -8.03! C(o=-8!,f=-14!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 HIS : no HD1:sc= -4.55! C(o=-4.6!,f=-5.5!) USER MOD Single : A 70 SER OG : rot 180:sc= 0.00272 USER MOD Single : A 73 SER OG : rot 180:sc= -0.792 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= -0.325 X(o=-0.32,f=-0.066) USER MOD Single : A 85 SER OG : rot 180:sc= 0.0409 USER MOD Single : A 96 CYS SG : rot -34:sc= -6.27! USER MOD Single : A 98 LYS NZ :NH3+ -173:sc=0.000953 (180deg=0) USER MOD Single : A 99 HIS : no HD1:sc= -0.698 X(o=-0.7,f=-0.29) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 9.929 -3.434 6.476 1.00 0.00 N ATOM 2 CA SER A 1 8.727 -2.611 6.778 1.00 0.00 C ATOM 3 C SER A 1 8.926 -1.164 6.339 1.00 0.00 C ATOM 4 O SER A 1 10.053 -0.718 6.131 1.00 0.00 O ATOM 5 CB SER A 1 8.460 -2.675 8.283 1.00 0.00 C ATOM 6 OG SER A 1 9.521 -2.087 9.015 1.00 0.00 O ATOM 0 H1 SER A 1 9.710 -4.099 5.707 1.00 0.00 H new ATOM 0 H2 SER A 1 10.711 -2.813 6.185 1.00 0.00 H new ATOM 0 H3 SER A 1 10.207 -3.966 7.325 1.00 0.00 H new ATOM 0 HA SER A 1 7.873 -3.006 6.227 1.00 0.00 H new ATOM 0 HB2 SER A 1 7.527 -2.160 8.512 1.00 0.00 H new ATOM 0 HB3 SER A 1 8.335 -3.714 8.589 1.00 0.00 H new ATOM 0 HG SER A 1 9.325 -2.139 9.974 1.00 0.00 H new ATOM 14 N GLU A 2 7.822 -0.435 6.203 1.00 0.00 N ATOM 15 CA GLU A 2 7.875 0.964 5.790 1.00 0.00 C ATOM 16 C GLU A 2 6.471 1.566 5.707 1.00 0.00 C ATOM 17 O GLU A 2 6.150 2.497 6.440 1.00 0.00 O ATOM 18 CB GLU A 2 8.587 1.095 4.440 1.00 0.00 C ATOM 19 CG GLU A 2 9.762 2.059 4.465 1.00 0.00 C ATOM 20 CD GLU A 2 11.091 1.353 4.652 1.00 0.00 C ATOM 21 OE1 GLU A 2 11.679 0.916 3.640 1.00 0.00 O ATOM 22 OE2 GLU A 2 11.545 1.238 5.809 1.00 0.00 O ATOM 0 H GLU A 2 6.881 -0.789 6.373 1.00 0.00 H new ATOM 0 HA GLU A 2 8.439 1.516 6.542 1.00 0.00 H new ATOM 0 HB2 GLU A 2 8.940 0.112 4.128 1.00 0.00 H new ATOM 0 HB3 GLU A 2 7.869 1.429 3.691 1.00 0.00 H new ATOM 0 HG2 GLU A 2 9.783 2.625 3.534 1.00 0.00 H new ATOM 0 HG3 GLU A 2 9.620 2.778 5.272 1.00 0.00 H new ATOM 29 N PRO A 3 5.606 1.030 4.825 1.00 0.00 N ATOM 30 CA PRO A 3 4.229 1.521 4.674 1.00 0.00 C ATOM 31 C PRO A 3 3.456 1.448 5.986 1.00 0.00 C ATOM 32 O PRO A 3 2.432 2.108 6.152 1.00 0.00 O ATOM 33 CB PRO A 3 3.594 0.552 3.664 1.00 0.00 C ATOM 34 CG PRO A 3 4.532 -0.604 3.551 1.00 0.00 C ATOM 35 CD PRO A 3 5.893 -0.105 3.933 1.00 0.00 C ATOM 0 HA PRO A 3 4.212 2.564 4.358 1.00 0.00 H new ATOM 0 HB2 PRO A 3 2.611 0.224 4.003 1.00 0.00 H new ATOM 0 HB3 PRO A 3 3.453 1.035 2.697 1.00 0.00 H new ATOM 0 HG2 PRO A 3 4.222 -1.418 4.207 1.00 0.00 H new ATOM 0 HG3 PRO A 3 4.537 -0.998 2.535 1.00 0.00 H new ATOM 0 HD2 PRO A 3 6.475 -0.875 4.439 1.00 0.00 H new ATOM 0 HD3 PRO A 3 6.466 0.206 3.060 1.00 0.00 H new ATOM 43 N TRP A 4 3.940 0.603 6.896 1.00 0.00 N ATOM 44 CA TRP A 4 3.294 0.381 8.186 1.00 0.00 C ATOM 45 C TRP A 4 2.129 -0.582 7.999 1.00 0.00 C ATOM 46 O TRP A 4 1.030 -0.185 7.608 1.00 0.00 O ATOM 47 CB TRP A 4 2.816 1.692 8.827 1.00 0.00 C ATOM 48 CG TRP A 4 3.844 2.325 9.715 1.00 0.00 C ATOM 49 CD1 TRP A 4 4.901 3.096 9.323 1.00 0.00 C ATOM 50 CD2 TRP A 4 3.914 2.241 11.142 1.00 0.00 C ATOM 51 NE1 TRP A 4 5.624 3.497 10.421 1.00 0.00 N ATOM 52 CE2 TRP A 4 5.038 2.986 11.549 1.00 0.00 C ATOM 53 CE3 TRP A 4 3.136 1.610 12.117 1.00 0.00 C ATOM 54 CZ2 TRP A 4 5.401 3.114 12.887 1.00 0.00 C ATOM 55 CZ3 TRP A 4 3.498 1.739 13.445 1.00 0.00 C ATOM 56 CH2 TRP A 4 4.621 2.487 13.819 1.00 0.00 C ATOM 0 H TRP A 4 4.789 0.055 6.759 1.00 0.00 H new ATOM 0 HA TRP A 4 4.027 -0.051 8.867 1.00 0.00 H new ATOM 0 HB2 TRP A 4 2.543 2.395 8.040 1.00 0.00 H new ATOM 0 HB3 TRP A 4 1.914 1.497 9.408 1.00 0.00 H new ATOM 0 HD1 TRP A 4 5.134 3.353 8.300 1.00 0.00 H new ATOM 0 HE1 TRP A 4 6.461 4.080 10.400 1.00 0.00 H new ATOM 0 HE3 TRP A 4 2.267 1.032 11.838 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 6.268 3.688 13.179 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 2.905 1.255 14.207 1.00 0.00 H new ATOM 0 HH2 TRP A 4 4.876 2.571 14.865 1.00 0.00 H new ATOM 67 N PHE A 5 2.393 -1.858 8.248 1.00 0.00 N ATOM 68 CA PHE A 5 1.384 -2.896 8.085 1.00 0.00 C ATOM 69 C PHE A 5 0.251 -2.735 9.089 1.00 0.00 C ATOM 70 O PHE A 5 0.440 -2.911 10.292 1.00 0.00 O ATOM 71 CB PHE A 5 2.018 -4.283 8.227 1.00 0.00 C ATOM 72 CG PHE A 5 2.745 -4.489 9.527 1.00 0.00 C ATOM 73 CD1 PHE A 5 4.082 -4.143 9.652 1.00 0.00 C ATOM 74 CD2 PHE A 5 2.093 -5.032 10.622 1.00 0.00 C ATOM 75 CE1 PHE A 5 4.753 -4.334 10.845 1.00 0.00 C ATOM 76 CE2 PHE A 5 2.759 -5.225 11.818 1.00 0.00 C ATOM 77 CZ PHE A 5 4.091 -4.875 11.929 1.00 0.00 C ATOM 0 H PHE A 5 3.300 -2.200 8.565 1.00 0.00 H new ATOM 0 HA PHE A 5 0.964 -2.795 7.084 1.00 0.00 H new ATOM 0 HB2 PHE A 5 1.239 -5.039 8.134 1.00 0.00 H new ATOM 0 HB3 PHE A 5 2.715 -4.440 7.403 1.00 0.00 H new ATOM 0 HD1 PHE A 5 4.605 -3.719 8.807 1.00 0.00 H new ATOM 0 HD2 PHE A 5 1.052 -5.308 10.540 1.00 0.00 H new ATOM 0 HE1 PHE A 5 5.794 -4.060 10.929 1.00 0.00 H new ATOM 0 HE2 PHE A 5 2.239 -5.649 12.664 1.00 0.00 H new ATOM 0 HZ PHE A 5 4.613 -5.024 12.862 1.00 0.00 H new ATOM 87 N PHE A 6 -0.933 -2.416 8.581 1.00 0.00 N ATOM 88 CA PHE A 6 -2.108 -2.250 9.425 1.00 0.00 C ATOM 89 C PHE A 6 -3.238 -3.128 8.906 1.00 0.00 C ATOM 90 O PHE A 6 -4.037 -2.703 8.073 1.00 0.00 O ATOM 91 CB PHE A 6 -2.544 -0.785 9.464 1.00 0.00 C ATOM 92 CG PHE A 6 -2.177 -0.087 10.744 1.00 0.00 C ATOM 93 CD1 PHE A 6 -0.931 0.499 10.897 1.00 0.00 C ATOM 94 CD2 PHE A 6 -3.078 -0.018 11.794 1.00 0.00 C ATOM 95 CE1 PHE A 6 -0.591 1.141 12.072 1.00 0.00 C ATOM 96 CE2 PHE A 6 -2.744 0.623 12.972 1.00 0.00 C ATOM 97 CZ PHE A 6 -1.499 1.203 13.111 1.00 0.00 C ATOM 0 H PHE A 6 -1.104 -2.267 7.587 1.00 0.00 H new ATOM 0 HA PHE A 6 -1.857 -2.554 10.441 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -2.089 -0.256 8.627 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -3.624 -0.731 9.326 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -0.217 0.453 10.088 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -4.053 -0.471 11.691 1.00 0.00 H new ATOM 0 HE1 PHE A 6 0.384 1.594 12.178 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -3.456 0.670 13.783 1.00 0.00 H new ATOM 0 HZ PHE A 6 -1.235 1.704 14.031 1.00 0.00 H new ATOM 107 N GLY A 7 -3.291 -4.360 9.401 1.00 0.00 N ATOM 108 CA GLY A 7 -4.310 -5.290 8.974 1.00 0.00 C ATOM 109 C GLY A 7 -5.641 -5.050 9.643 1.00 0.00 C ATOM 110 O GLY A 7 -6.548 -5.877 9.540 1.00 0.00 O ATOM 0 H GLY A 7 -2.640 -4.729 10.094 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.433 -5.215 7.894 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.980 -6.307 9.188 1.00 0.00 H new ATOM 114 N CYS A 8 -5.771 -3.923 10.333 1.00 0.00 N ATOM 115 CA CYS A 8 -7.012 -3.609 11.011 1.00 0.00 C ATOM 116 C CYS A 8 -7.656 -2.339 10.456 1.00 0.00 C ATOM 117 O CYS A 8 -8.769 -1.984 10.843 1.00 0.00 O ATOM 118 CB CYS A 8 -6.778 -3.464 12.517 1.00 0.00 C ATOM 119 SG CYS A 8 -5.347 -2.448 12.947 1.00 0.00 S ATOM 0 H CYS A 8 -5.038 -3.221 10.434 1.00 0.00 H new ATOM 0 HA CYS A 8 -7.699 -4.437 10.833 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -7.668 -3.030 12.972 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -6.650 -4.456 12.951 1.00 0.00 H new ATOM 0 HG CYS A 8 -5.234 -2.383 14.240 1.00 0.00 H new ATOM 125 N ILE A 9 -6.959 -1.658 9.550 1.00 0.00 N ATOM 126 CA ILE A 9 -7.486 -0.434 8.958 1.00 0.00 C ATOM 127 C ILE A 9 -8.376 -0.746 7.757 1.00 0.00 C ATOM 128 O ILE A 9 -7.944 -1.384 6.797 1.00 0.00 O ATOM 129 CB ILE A 9 -6.356 0.527 8.525 1.00 0.00 C ATOM 130 CG1 ILE A 9 -5.515 -0.083 7.399 1.00 0.00 C ATOM 131 CG2 ILE A 9 -5.476 0.878 9.714 1.00 0.00 C ATOM 132 CD1 ILE A 9 -5.584 0.707 6.113 1.00 0.00 C ATOM 0 H ILE A 9 -6.036 -1.931 9.213 1.00 0.00 H new ATOM 0 HA ILE A 9 -8.080 0.058 9.728 1.00 0.00 H new ATOM 0 HB ILE A 9 -6.815 1.440 8.146 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.476 -0.148 7.723 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -5.854 -1.102 7.211 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -4.685 1.556 9.393 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -6.079 1.362 10.483 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -5.033 -0.031 10.120 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -4.967 0.223 5.355 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -6.617 0.750 5.767 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -5.218 1.719 6.287 1.00 0.00 H new ATOM 144 N SER A 10 -9.624 -0.298 7.822 1.00 0.00 N ATOM 145 CA SER A 10 -10.577 -0.534 6.744 1.00 0.00 C ATOM 146 C SER A 10 -10.363 0.453 5.602 1.00 0.00 C ATOM 147 O SER A 10 -9.537 1.361 5.698 1.00 0.00 O ATOM 148 CB SER A 10 -12.009 -0.420 7.268 1.00 0.00 C ATOM 149 OG SER A 10 -12.199 -1.231 8.415 1.00 0.00 O ATOM 0 H SER A 10 -10.000 0.230 8.609 1.00 0.00 H new ATOM 0 HA SER A 10 -10.414 -1.543 6.364 1.00 0.00 H new ATOM 0 HB2 SER A 10 -12.228 0.619 7.513 1.00 0.00 H new ATOM 0 HB3 SER A 10 -12.710 -0.718 6.488 1.00 0.00 H new ATOM 0 HG SER A 10 -13.122 -1.139 8.731 1.00 0.00 H new ATOM 155 N ARG A 11 -11.115 0.270 4.521 1.00 0.00 N ATOM 156 CA ARG A 11 -11.011 1.147 3.361 1.00 0.00 C ATOM 157 C ARG A 11 -11.397 2.577 3.720 1.00 0.00 C ATOM 158 O ARG A 11 -11.060 3.523 3.008 1.00 0.00 O ATOM 159 CB ARG A 11 -11.901 0.635 2.226 1.00 0.00 C ATOM 160 CG ARG A 11 -11.444 1.075 0.845 1.00 0.00 C ATOM 161 CD ARG A 11 -11.934 0.123 -0.235 1.00 0.00 C ATOM 162 NE ARG A 11 -13.239 0.516 -0.762 1.00 0.00 N ATOM 163 CZ ARG A 11 -14.401 0.141 -0.231 1.00 0.00 C ATOM 164 NH1 ARG A 11 -14.432 -0.631 0.848 1.00 0.00 N ATOM 165 NH2 ARG A 11 -15.540 0.539 -0.783 1.00 0.00 N ATOM 0 H ARG A 11 -11.802 -0.477 4.425 1.00 0.00 H new ATOM 0 HA ARG A 11 -9.973 1.144 3.029 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -11.928 -0.454 2.260 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -12.920 0.984 2.390 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -11.815 2.080 0.641 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -10.355 1.126 0.820 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -11.209 0.094 -1.048 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -11.997 -0.886 0.173 1.00 0.00 H new ATOM 0 HE ARG A 11 -13.261 1.115 -1.588 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -13.561 -0.942 1.278 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -15.327 -0.913 1.248 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -15.525 1.131 -1.613 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -16.431 0.252 -0.377 1.00 0.00 H new ATOM 179 N SER A 12 -12.105 2.723 4.831 1.00 0.00 N ATOM 180 CA SER A 12 -12.542 4.032 5.295 1.00 0.00 C ATOM 181 C SER A 12 -11.411 4.772 5.999 1.00 0.00 C ATOM 182 O SER A 12 -11.334 6.000 5.947 1.00 0.00 O ATOM 183 CB SER A 12 -13.737 3.887 6.240 1.00 0.00 C ATOM 184 OG SER A 12 -14.909 3.520 5.530 1.00 0.00 O ATOM 0 H SER A 12 -12.390 1.948 5.430 1.00 0.00 H new ATOM 0 HA SER A 12 -12.842 4.614 4.424 1.00 0.00 H new ATOM 0 HB2 SER A 12 -13.516 3.135 6.997 1.00 0.00 H new ATOM 0 HB3 SER A 12 -13.906 4.827 6.765 1.00 0.00 H new ATOM 0 HG SER A 12 -15.657 3.432 6.157 1.00 0.00 H new ATOM 190 N GLU A 13 -10.533 4.022 6.660 1.00 0.00 N ATOM 191 CA GLU A 13 -9.411 4.624 7.372 1.00 0.00 C ATOM 192 C GLU A 13 -8.279 4.974 6.425 1.00 0.00 C ATOM 193 O GLU A 13 -7.751 6.072 6.475 1.00 0.00 O ATOM 194 CB GLU A 13 -8.872 3.694 8.457 1.00 0.00 C ATOM 195 CG GLU A 13 -9.948 2.922 9.203 1.00 0.00 C ATOM 196 CD GLU A 13 -10.901 3.830 9.957 1.00 0.00 C ATOM 197 OE1 GLU A 13 -11.826 4.378 9.322 1.00 0.00 O ATOM 198 OE2 GLU A 13 -10.720 3.993 11.182 1.00 0.00 O ATOM 0 H GLU A 13 -10.576 3.005 6.717 1.00 0.00 H new ATOM 0 HA GLU A 13 -9.791 5.535 7.835 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -8.180 2.985 8.002 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -8.299 4.283 9.174 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -10.513 2.317 8.494 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -9.476 2.234 9.904 1.00 0.00 H new ATOM 205 N ALA A 14 -7.899 4.031 5.572 1.00 0.00 N ATOM 206 CA ALA A 14 -6.811 4.256 4.630 1.00 0.00 C ATOM 207 C ALA A 14 -7.099 5.452 3.735 1.00 0.00 C ATOM 208 O ALA A 14 -6.221 6.277 3.480 1.00 0.00 O ATOM 209 CB ALA A 14 -6.566 3.009 3.797 1.00 0.00 C ATOM 0 H ALA A 14 -8.326 3.107 5.513 1.00 0.00 H new ATOM 0 HA ALA A 14 -5.909 4.476 5.200 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -5.750 3.193 3.098 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -6.302 2.179 4.453 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -7.470 2.759 3.242 1.00 0.00 H new ATOM 215 N VAL A 15 -8.335 5.550 3.265 1.00 0.00 N ATOM 216 CA VAL A 15 -8.729 6.657 2.403 1.00 0.00 C ATOM 217 C VAL A 15 -8.598 7.987 3.136 1.00 0.00 C ATOM 218 O VAL A 15 -8.058 8.952 2.598 1.00 0.00 O ATOM 219 CB VAL A 15 -10.175 6.490 1.895 1.00 0.00 C ATOM 220 CG1 VAL A 15 -10.632 7.720 1.123 1.00 0.00 C ATOM 221 CG2 VAL A 15 -10.290 5.245 1.036 1.00 0.00 C ATOM 0 H VAL A 15 -9.079 4.881 3.464 1.00 0.00 H new ATOM 0 HA VAL A 15 -8.057 6.652 1.545 1.00 0.00 H new ATOM 0 HB VAL A 15 -10.829 6.379 2.760 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -11.655 7.573 0.777 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -10.591 8.594 1.773 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -9.978 7.875 0.265 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -11.316 5.139 0.684 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -9.620 5.330 0.181 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -10.017 4.370 1.625 1.00 0.00 H new ATOM 231 N ARG A 16 -9.094 8.030 4.369 1.00 0.00 N ATOM 232 CA ARG A 16 -9.028 9.245 5.175 1.00 0.00 C ATOM 233 C ARG A 16 -7.667 9.390 5.850 1.00 0.00 C ATOM 234 O ARG A 16 -7.297 10.474 6.293 1.00 0.00 O ATOM 235 CB ARG A 16 -10.139 9.242 6.228 1.00 0.00 C ATOM 236 CG ARG A 16 -10.841 10.583 6.375 1.00 0.00 C ATOM 237 CD ARG A 16 -12.151 10.614 5.604 1.00 0.00 C ATOM 238 NE ARG A 16 -13.204 11.308 6.343 1.00 0.00 N ATOM 239 CZ ARG A 16 -13.883 10.765 7.350 1.00 0.00 C ATOM 240 NH1 ARG A 16 -13.622 9.525 7.744 1.00 0.00 N ATOM 241 NH2 ARG A 16 -14.826 11.465 7.967 1.00 0.00 N ATOM 0 H ARG A 16 -9.545 7.240 4.831 1.00 0.00 H new ATOM 0 HA ARG A 16 -9.167 10.097 4.509 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -10.875 8.483 5.965 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -9.715 8.956 7.191 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -11.034 10.780 7.430 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -10.188 11.378 6.016 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -11.996 11.107 4.645 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -12.470 9.594 5.390 1.00 0.00 H new ATOM 0 HE ARG A 16 -13.431 12.264 6.071 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -12.897 8.982 7.274 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -14.146 9.114 8.517 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -15.030 12.419 7.669 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -15.347 11.049 8.739 1.00 0.00 H new ATOM 255 N ARG A 17 -6.933 8.290 5.918 1.00 0.00 N ATOM 256 CA ARG A 17 -5.609 8.277 6.532 1.00 0.00 C ATOM 257 C ARG A 17 -4.566 8.768 5.535 1.00 0.00 C ATOM 258 O ARG A 17 -3.762 9.648 5.841 1.00 0.00 O ATOM 259 CB ARG A 17 -5.264 6.864 7.027 1.00 0.00 C ATOM 260 CG ARG A 17 -3.917 6.776 7.724 1.00 0.00 C ATOM 261 CD ARG A 17 -3.502 5.331 7.947 1.00 0.00 C ATOM 262 NE ARG A 17 -2.273 5.229 8.729 1.00 0.00 N ATOM 263 CZ ARG A 17 -1.905 4.134 9.391 1.00 0.00 C ATOM 264 NH1 ARG A 17 -2.665 3.047 9.365 1.00 0.00 N ATOM 265 NH2 ARG A 17 -0.772 4.126 10.079 1.00 0.00 N ATOM 0 H ARG A 17 -7.233 7.386 5.553 1.00 0.00 H new ATOM 0 HA ARG A 17 -5.611 8.948 7.391 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -6.041 6.529 7.713 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -5.270 6.179 6.179 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -3.162 7.285 7.125 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -3.967 7.294 8.682 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -4.303 4.799 8.460 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -3.360 4.842 6.983 1.00 0.00 H new ATOM 0 HE ARG A 17 -1.661 6.044 8.770 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -3.537 3.047 8.836 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -2.377 2.211 9.874 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -0.183 4.958 10.101 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -0.489 3.288 10.586 1.00 0.00 H new ATOM 279 N LEU A 18 -4.605 8.205 4.332 1.00 0.00 N ATOM 280 CA LEU A 18 -3.686 8.594 3.269 1.00 0.00 C ATOM 281 C LEU A 18 -3.868 10.064 2.937 1.00 0.00 C ATOM 282 O LEU A 18 -2.914 10.781 2.638 1.00 0.00 O ATOM 283 CB LEU A 18 -3.942 7.748 2.034 1.00 0.00 C ATOM 284 CG LEU A 18 -3.177 6.435 2.007 1.00 0.00 C ATOM 285 CD1 LEU A 18 -1.679 6.692 2.046 1.00 0.00 C ATOM 286 CD2 LEU A 18 -3.596 5.553 3.169 1.00 0.00 C ATOM 0 H LEU A 18 -5.266 7.475 4.068 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.662 8.433 3.606 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.009 7.535 1.968 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.678 8.328 1.149 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.413 5.916 1.078 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.146 5.741 2.026 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.390 7.288 1.181 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.426 7.231 2.959 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.039 4.617 3.135 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.387 6.065 4.108 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.663 5.343 3.100 1.00 0.00 H new ATOM 298 N GLN A 19 -5.114 10.489 2.999 1.00 0.00 N ATOM 299 CA GLN A 19 -5.488 11.871 2.716 1.00 0.00 C ATOM 300 C GLN A 19 -5.314 12.764 3.949 1.00 0.00 C ATOM 301 O GLN A 19 -5.326 13.990 3.840 1.00 0.00 O ATOM 302 CB GLN A 19 -6.938 11.935 2.230 1.00 0.00 C ATOM 303 CG GLN A 19 -7.113 12.715 0.938 1.00 0.00 C ATOM 304 CD GLN A 19 -7.443 14.175 1.179 1.00 0.00 C ATOM 305 OE1 GLN A 19 -6.926 14.794 2.109 1.00 0.00 O ATOM 306 NE2 GLN A 19 -8.307 14.734 0.340 1.00 0.00 N ATOM 0 H GLN A 19 -5.901 9.889 3.247 1.00 0.00 H new ATOM 0 HA GLN A 19 -4.825 12.241 1.934 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -7.309 10.920 2.085 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -7.553 12.391 3.006 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -6.198 12.645 0.349 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -7.908 12.259 0.347 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -8.711 14.183 -0.417 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -8.566 15.714 0.453 1.00 0.00 H new ATOM 315 N ALA A 20 -5.161 12.147 5.119 1.00 0.00 N ATOM 316 CA ALA A 20 -4.997 12.893 6.366 1.00 0.00 C ATOM 317 C ALA A 20 -3.532 13.151 6.687 1.00 0.00 C ATOM 318 O ALA A 20 -2.646 12.784 5.924 1.00 0.00 O ATOM 319 CB ALA A 20 -5.635 12.134 7.512 1.00 0.00 C ATOM 0 H ALA A 20 -5.147 11.133 5.230 1.00 0.00 H new ATOM 0 HA ALA A 20 -5.489 13.857 6.235 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -5.508 12.697 8.437 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -6.698 11.999 7.312 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -5.158 11.159 7.613 1.00 0.00 H new ATOM 325 N GLU A 21 -3.285 13.774 7.837 1.00 0.00 N ATOM 326 CA GLU A 21 -1.924 14.067 8.274 1.00 0.00 C ATOM 327 C GLU A 21 -1.135 14.779 7.207 1.00 0.00 C ATOM 328 O GLU A 21 -1.641 15.044 6.119 1.00 0.00 O ATOM 329 CB GLU A 21 -1.214 12.775 8.680 1.00 0.00 C ATOM 330 CG GLU A 21 -1.606 12.280 10.063 1.00 0.00 C ATOM 331 CD GLU A 21 -3.098 12.053 10.199 1.00 0.00 C ATOM 332 OE1 GLU A 21 -3.641 11.212 9.452 1.00 0.00 O ATOM 333 OE2 GLU A 21 -3.725 12.716 11.052 1.00 0.00 O ATOM 0 H GLU A 21 -4.011 14.085 8.483 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.988 14.732 9.135 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -1.439 12.000 7.947 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -0.136 12.937 8.652 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -1.080 11.349 10.274 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -1.283 13.005 10.810 1.00 0.00 H new ATOM 340 N GLY A 22 0.126 15.057 7.511 1.00 0.00 N ATOM 341 CA GLY A 22 0.977 15.696 6.538 1.00 0.00 C ATOM 342 C GLY A 22 1.133 14.818 5.316 1.00 0.00 C ATOM 343 O GLY A 22 1.897 15.137 4.405 1.00 0.00 O ATOM 0 H GLY A 22 0.568 14.852 8.407 1.00 0.00 H new ATOM 0 HA2 GLY A 22 0.553 16.658 6.251 1.00 0.00 H new ATOM 0 HA3 GLY A 22 1.954 15.897 6.977 1.00 0.00 H new ATOM 347 N ASN A 23 0.383 13.700 5.312 1.00 0.00 N ATOM 348 CA ASN A 23 0.396 12.727 4.205 1.00 0.00 C ATOM 349 C ASN A 23 1.204 13.208 3.009 1.00 0.00 C ATOM 350 O ASN A 23 0.659 13.784 2.068 1.00 0.00 O ATOM 351 CB ASN A 23 -1.031 12.423 3.761 1.00 0.00 C ATOM 352 CG ASN A 23 -1.801 13.681 3.412 1.00 0.00 C ATOM 353 OD1 ASN A 23 -1.399 14.789 3.763 1.00 0.00 O ATOM 354 ND2 ASN A 23 -2.907 13.513 2.703 1.00 0.00 N ATOM 0 H ASN A 23 -0.247 13.447 6.073 1.00 0.00 H new ATOM 0 HA ASN A 23 0.876 11.825 4.584 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -1.007 11.761 2.895 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -1.551 11.889 4.556 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -3.463 14.322 2.426 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -3.203 12.575 2.434 1.00 0.00 H new ATOM 361 N ALA A 24 2.504 12.954 3.048 1.00 0.00 N ATOM 362 CA ALA A 24 3.378 13.346 1.959 1.00 0.00 C ATOM 363 C ALA A 24 3.247 12.361 0.810 1.00 0.00 C ATOM 364 O ALA A 24 3.573 11.183 0.955 1.00 0.00 O ATOM 365 CB ALA A 24 4.822 13.431 2.436 1.00 0.00 C ATOM 0 H ALA A 24 2.973 12.480 3.820 1.00 0.00 H new ATOM 0 HA ALA A 24 3.081 14.334 1.607 1.00 0.00 H new ATOM 0 HB1 ALA A 24 5.463 13.726 1.605 1.00 0.00 H new ATOM 0 HB2 ALA A 24 4.899 14.170 3.234 1.00 0.00 H new ATOM 0 HB3 ALA A 24 5.139 12.458 2.811 1.00 0.00 H new ATOM 371 N THR A 25 2.750 12.856 -0.324 1.00 0.00 N ATOM 372 CA THR A 25 2.545 12.039 -1.523 1.00 0.00 C ATOM 373 C THR A 25 3.422 10.789 -1.517 1.00 0.00 C ATOM 374 O THR A 25 4.621 10.857 -1.246 1.00 0.00 O ATOM 375 CB THR A 25 2.821 12.875 -2.771 1.00 0.00 C ATOM 376 OG1 THR A 25 4.072 13.535 -2.668 1.00 0.00 O ATOM 377 CG2 THR A 25 1.764 13.927 -3.015 1.00 0.00 C ATOM 0 H THR A 25 2.478 13.832 -0.438 1.00 0.00 H new ATOM 0 HA THR A 25 1.507 11.707 -1.529 1.00 0.00 H new ATOM 0 HB THR A 25 2.819 12.172 -3.604 1.00 0.00 H new ATOM 0 HG1 THR A 25 4.231 14.064 -3.478 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.012 14.490 -3.915 1.00 0.00 H new ATOM 0 HG22 THR A 25 0.795 13.446 -3.144 1.00 0.00 H new ATOM 0 HG23 THR A 25 1.722 14.605 -2.163 1.00 0.00 H new ATOM 385 N GLY A 26 2.804 9.647 -1.788 1.00 0.00 N ATOM 386 CA GLY A 26 3.524 8.390 -1.776 1.00 0.00 C ATOM 387 C GLY A 26 3.243 7.611 -0.517 1.00 0.00 C ATOM 388 O GLY A 26 3.499 6.411 -0.462 1.00 0.00 O ATOM 0 H GLY A 26 1.813 9.569 -2.017 1.00 0.00 H new ATOM 0 HA2 GLY A 26 3.239 7.797 -2.645 1.00 0.00 H new ATOM 0 HA3 GLY A 26 4.594 8.580 -1.857 1.00 0.00 H new ATOM 392 N ALA A 27 2.698 8.295 0.497 1.00 0.00 N ATOM 393 CA ALA A 27 2.364 7.649 1.760 1.00 0.00 C ATOM 394 C ALA A 27 1.735 6.292 1.489 1.00 0.00 C ATOM 395 O ALA A 27 0.729 6.205 0.800 1.00 0.00 O ATOM 396 CB ALA A 27 1.422 8.525 2.574 1.00 0.00 C ATOM 0 H ALA A 27 2.482 9.291 0.462 1.00 0.00 H new ATOM 0 HA ALA A 27 3.276 7.506 2.339 1.00 0.00 H new ATOM 0 HB1 ALA A 27 1.183 8.027 3.514 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.903 9.481 2.782 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.505 8.695 2.010 1.00 0.00 H new ATOM 402 N PHE A 28 2.350 5.236 1.992 1.00 0.00 N ATOM 403 CA PHE A 28 1.861 3.899 1.755 1.00 0.00 C ATOM 404 C PHE A 28 1.636 3.159 3.063 1.00 0.00 C ATOM 405 O PHE A 28 2.249 3.462 4.086 1.00 0.00 O ATOM 406 CB PHE A 28 2.853 3.150 0.862 1.00 0.00 C ATOM 407 CG PHE A 28 4.315 3.302 1.241 1.00 0.00 C ATOM 408 CD1 PHE A 28 4.920 4.546 1.293 1.00 0.00 C ATOM 409 CD2 PHE A 28 5.088 2.187 1.527 1.00 0.00 C ATOM 410 CE1 PHE A 28 6.253 4.673 1.624 1.00 0.00 C ATOM 411 CE2 PHE A 28 6.423 2.314 1.856 1.00 0.00 C ATOM 412 CZ PHE A 28 7.005 3.558 1.906 1.00 0.00 C ATOM 0 H PHE A 28 3.191 5.284 2.568 1.00 0.00 H new ATOM 0 HA PHE A 28 0.898 3.956 1.248 1.00 0.00 H new ATOM 0 HB2 PHE A 28 2.600 2.090 0.877 1.00 0.00 H new ATOM 0 HB3 PHE A 28 2.724 3.494 -0.164 1.00 0.00 H new ATOM 0 HD1 PHE A 28 4.340 5.430 1.071 1.00 0.00 H new ATOM 0 HD2 PHE A 28 4.640 1.205 1.492 1.00 0.00 H new ATOM 0 HE1 PHE A 28 6.707 5.652 1.662 1.00 0.00 H new ATOM 0 HE2 PHE A 28 7.011 1.435 2.074 1.00 0.00 H new ATOM 0 HZ PHE A 28 8.048 3.659 2.166 1.00 0.00 H new ATOM 422 N LEU A 29 0.740 2.196 3.005 1.00 0.00 N ATOM 423 CA LEU A 29 0.385 1.383 4.158 1.00 0.00 C ATOM 424 C LEU A 29 -0.159 0.037 3.708 1.00 0.00 C ATOM 425 O LEU A 29 -0.924 -0.046 2.749 1.00 0.00 O ATOM 426 CB LEU A 29 -0.646 2.089 5.040 1.00 0.00 C ATOM 427 CG LEU A 29 -1.933 2.625 4.363 1.00 0.00 C ATOM 428 CD1 LEU A 29 -1.970 2.423 2.852 1.00 0.00 C ATOM 429 CD2 LEU A 29 -3.151 1.976 4.990 1.00 0.00 C ATOM 0 H LEU A 29 0.233 1.951 2.155 1.00 0.00 H new ATOM 0 HA LEU A 29 1.290 1.228 4.746 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -0.945 1.395 5.826 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.150 2.928 5.528 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.936 3.702 4.530 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -2.902 2.825 2.454 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -1.127 2.941 2.395 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -1.908 1.359 2.626 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -4.053 2.356 4.511 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -3.097 0.896 4.856 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -3.180 2.209 6.054 1.00 0.00 H new ATOM 441 N ILE A 30 0.220 -1.019 4.397 1.00 0.00 N ATOM 442 CA ILE A 30 -0.250 -2.343 4.020 1.00 0.00 C ATOM 443 C ILE A 30 -1.250 -2.885 5.027 1.00 0.00 C ATOM 444 O ILE A 30 -0.916 -3.128 6.183 1.00 0.00 O ATOM 445 CB ILE A 30 0.906 -3.351 3.862 1.00 0.00 C ATOM 446 CG1 ILE A 30 2.199 -2.658 3.391 1.00 0.00 C ATOM 447 CG2 ILE A 30 0.494 -4.460 2.905 1.00 0.00 C ATOM 448 CD1 ILE A 30 2.252 -2.362 1.907 1.00 0.00 C ATOM 0 H ILE A 30 0.840 -0.993 5.206 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.739 -2.225 3.053 1.00 0.00 H new ATOM 0 HB ILE A 30 1.118 -3.790 4.837 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.314 -1.723 3.939 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.049 -3.288 3.653 1.00 0.00 H new ATOM 0 HG21 ILE A 30 1.314 -5.170 2.796 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -0.382 -4.975 3.300 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.254 -4.031 1.932 1.00 0.00 H new ATOM 0 HD11 ILE A 30 3.197 -1.875 1.667 1.00 0.00 H new ATOM 0 HD12 ILE A 30 2.172 -3.294 1.347 1.00 0.00 H new ATOM 0 HD13 ILE A 30 1.426 -1.704 1.637 1.00 0.00 H new ATOM 460 N ARG A 31 -2.482 -3.081 4.575 1.00 0.00 N ATOM 461 CA ARG A 31 -3.532 -3.600 5.436 1.00 0.00 C ATOM 462 C ARG A 31 -3.924 -5.004 4.999 1.00 0.00 C ATOM 463 O ARG A 31 -3.315 -5.568 4.092 1.00 0.00 O ATOM 464 CB ARG A 31 -4.755 -2.680 5.403 1.00 0.00 C ATOM 465 CG ARG A 31 -5.573 -2.805 4.133 1.00 0.00 C ATOM 466 CD ARG A 31 -6.643 -1.728 4.046 1.00 0.00 C ATOM 467 NE ARG A 31 -7.152 -1.564 2.687 1.00 0.00 N ATOM 468 CZ ARG A 31 -6.423 -1.103 1.675 1.00 0.00 C ATOM 469 NH1 ARG A 31 -5.159 -0.747 1.865 1.00 0.00 N ATOM 470 NH2 ARG A 31 -6.960 -0.995 0.468 1.00 0.00 N ATOM 0 H ARG A 31 -2.777 -2.888 3.618 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.153 -3.640 6.457 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.391 -2.904 6.259 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -4.425 -1.647 5.513 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -4.914 -2.735 3.267 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -6.042 -3.788 4.097 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -7.467 -1.982 4.712 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -6.232 -0.781 4.395 1.00 0.00 H new ATOM 0 HE ARG A 31 -8.123 -1.818 2.504 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -4.741 -0.826 2.792 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -4.606 -0.394 1.084 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -7.932 -1.265 0.316 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -6.402 -0.641 -0.309 1.00 0.00 H new ATOM 484 N VAL A 32 -4.943 -5.568 5.636 1.00 0.00 N ATOM 485 CA VAL A 32 -5.384 -6.908 5.284 1.00 0.00 C ATOM 486 C VAL A 32 -6.401 -6.886 4.152 1.00 0.00 C ATOM 487 O VAL A 32 -7.054 -5.873 3.903 1.00 0.00 O ATOM 488 CB VAL A 32 -5.988 -7.653 6.490 1.00 0.00 C ATOM 489 CG1 VAL A 32 -4.935 -7.870 7.566 1.00 0.00 C ATOM 490 CG2 VAL A 32 -7.185 -6.895 7.044 1.00 0.00 C ATOM 0 H VAL A 32 -5.471 -5.125 6.388 1.00 0.00 H new ATOM 0 HA VAL A 32 -4.493 -7.441 4.953 1.00 0.00 H new ATOM 0 HB VAL A 32 -6.334 -8.630 6.154 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -5.380 -8.397 8.410 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -4.116 -8.463 7.159 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -4.554 -6.906 7.902 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -7.597 -7.437 7.895 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -6.870 -5.902 7.365 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -7.947 -6.802 6.270 1.00 0.00 H new ATOM 500 N SER A 33 -6.514 -8.016 3.467 1.00 0.00 N ATOM 501 CA SER A 33 -7.435 -8.154 2.350 1.00 0.00 C ATOM 502 C SER A 33 -8.880 -7.927 2.781 1.00 0.00 C ATOM 503 O SER A 33 -9.625 -8.880 3.009 1.00 0.00 O ATOM 504 CB SER A 33 -7.297 -9.542 1.726 1.00 0.00 C ATOM 505 OG SER A 33 -7.111 -10.534 2.722 1.00 0.00 O ATOM 0 H SER A 33 -5.973 -8.857 3.669 1.00 0.00 H new ATOM 0 HA SER A 33 -7.178 -7.392 1.614 1.00 0.00 H new ATOM 0 HB2 SER A 33 -8.188 -9.772 1.142 1.00 0.00 H new ATOM 0 HB3 SER A 33 -6.453 -9.552 1.037 1.00 0.00 H new ATOM 0 HG SER A 33 -7.719 -11.284 2.554 1.00 0.00 H new ATOM 511 N GLU A 34 -9.276 -6.663 2.879 1.00 0.00 N ATOM 512 CA GLU A 34 -10.642 -6.328 3.267 1.00 0.00 C ATOM 513 C GLU A 34 -11.625 -6.877 2.243 1.00 0.00 C ATOM 514 O GLU A 34 -12.765 -7.211 2.566 1.00 0.00 O ATOM 515 CB GLU A 34 -10.815 -4.813 3.411 1.00 0.00 C ATOM 516 CG GLU A 34 -10.096 -4.004 2.342 1.00 0.00 C ATOM 517 CD GLU A 34 -10.498 -2.543 2.351 1.00 0.00 C ATOM 518 OE1 GLU A 34 -10.931 -2.055 3.416 1.00 0.00 O ATOM 519 OE2 GLU A 34 -10.377 -1.887 1.295 1.00 0.00 O ATOM 0 H GLU A 34 -8.676 -5.858 2.697 1.00 0.00 H new ATOM 0 HA GLU A 34 -10.845 -6.785 4.235 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -11.878 -4.574 3.379 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -10.449 -4.507 4.391 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -9.020 -4.082 2.494 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -10.311 -4.431 1.362 1.00 0.00 H new ATOM 526 N LYS A 35 -11.160 -6.973 1.009 1.00 0.00 N ATOM 527 CA LYS A 35 -11.969 -7.491 -0.090 1.00 0.00 C ATOM 528 C LYS A 35 -11.464 -8.866 -0.541 1.00 0.00 C ATOM 529 O LYS A 35 -12.246 -9.810 -0.646 1.00 0.00 O ATOM 530 CB LYS A 35 -11.974 -6.521 -1.278 1.00 0.00 C ATOM 531 CG LYS A 35 -11.941 -5.050 -0.880 1.00 0.00 C ATOM 532 CD LYS A 35 -10.794 -4.315 -1.553 1.00 0.00 C ATOM 533 CE LYS A 35 -11.137 -3.937 -2.985 1.00 0.00 C ATOM 534 NZ LYS A 35 -10.892 -5.062 -3.931 1.00 0.00 N ATOM 0 H LYS A 35 -10.216 -6.697 0.738 1.00 0.00 H new ATOM 0 HA LYS A 35 -12.990 -7.596 0.276 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -11.113 -6.734 -1.911 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -12.865 -6.704 -1.879 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -12.885 -4.578 -1.151 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -11.842 -4.967 0.202 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -10.554 -3.416 -0.986 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -9.903 -4.943 -1.545 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -12.184 -3.637 -3.041 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -10.542 -3.074 -3.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -10.856 -4.696 -4.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -9.987 -5.519 -3.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -11.661 -5.757 -3.851 1.00 0.00 H new ATOM 548 N PRO A 36 -10.149 -9.004 -0.812 1.00 0.00 N ATOM 549 CA PRO A 36 -9.564 -10.280 -1.247 1.00 0.00 C ATOM 550 C PRO A 36 -9.745 -11.379 -0.203 1.00 0.00 C ATOM 551 O PRO A 36 -10.525 -11.229 0.737 1.00 0.00 O ATOM 552 CB PRO A 36 -8.075 -9.955 -1.442 1.00 0.00 C ATOM 553 CG PRO A 36 -8.018 -8.472 -1.573 1.00 0.00 C ATOM 554 CD PRO A 36 -9.129 -7.946 -0.716 1.00 0.00 C ATOM 0 HA PRO A 36 -10.043 -10.661 -2.149 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -7.482 -10.299 -0.595 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -7.677 -10.445 -2.330 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -7.053 -8.087 -1.243 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -8.146 -8.165 -2.611 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -8.806 -7.789 0.313 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -9.503 -6.990 -1.082 1.00 0.00 H new ATOM 562 N SER A 37 -9.026 -12.485 -0.372 1.00 0.00 N ATOM 563 CA SER A 37 -9.120 -13.605 0.560 1.00 0.00 C ATOM 564 C SER A 37 -7.950 -13.605 1.547 1.00 0.00 C ATOM 565 O SER A 37 -8.052 -13.045 2.637 1.00 0.00 O ATOM 566 CB SER A 37 -9.171 -14.931 -0.206 1.00 0.00 C ATOM 567 OG SER A 37 -8.989 -16.032 0.668 1.00 0.00 O ATOM 0 H SER A 37 -8.374 -12.630 -1.143 1.00 0.00 H new ATOM 0 HA SER A 37 -10.041 -13.491 1.131 1.00 0.00 H new ATOM 0 HB2 SER A 37 -10.129 -15.023 -0.717 1.00 0.00 H new ATOM 0 HB3 SER A 37 -8.398 -14.941 -0.974 1.00 0.00 H new ATOM 0 HG SER A 37 -9.027 -16.866 0.155 1.00 0.00 H new ATOM 573 N ALA A 38 -6.843 -14.235 1.159 1.00 0.00 N ATOM 574 CA ALA A 38 -5.663 -14.301 2.015 1.00 0.00 C ATOM 575 C ALA A 38 -4.524 -13.475 1.431 1.00 0.00 C ATOM 576 O ALA A 38 -3.452 -14.000 1.123 1.00 0.00 O ATOM 577 CB ALA A 38 -5.228 -15.747 2.208 1.00 0.00 C ATOM 0 H ALA A 38 -6.740 -14.705 0.260 1.00 0.00 H new ATOM 0 HA ALA A 38 -5.922 -13.883 2.988 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -4.347 -15.779 2.849 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -6.036 -16.311 2.674 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -4.989 -16.187 1.240 1.00 0.00 H new ATOM 583 N ASP A 39 -4.770 -12.182 1.272 1.00 0.00 N ATOM 584 CA ASP A 39 -3.776 -11.274 0.714 1.00 0.00 C ATOM 585 C ASP A 39 -3.655 -10.013 1.569 1.00 0.00 C ATOM 586 O ASP A 39 -4.115 -9.984 2.710 1.00 0.00 O ATOM 587 CB ASP A 39 -4.159 -10.903 -0.722 1.00 0.00 C ATOM 588 CG ASP A 39 -4.676 -12.090 -1.513 1.00 0.00 C ATOM 589 OD1 ASP A 39 -3.931 -13.085 -1.644 1.00 0.00 O ATOM 590 OD2 ASP A 39 -5.824 -12.025 -1.999 1.00 0.00 O ATOM 0 H ASP A 39 -5.653 -11.736 1.522 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.809 -11.778 0.708 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -4.922 -10.125 -0.701 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -3.290 -10.484 -1.229 1.00 0.00 H new ATOM 595 N TYR A 40 -3.054 -8.968 1.004 1.00 0.00 N ATOM 596 CA TYR A 40 -2.899 -7.702 1.708 1.00 0.00 C ATOM 597 C TYR A 40 -3.165 -6.582 0.750 1.00 0.00 C ATOM 598 O TYR A 40 -2.802 -6.661 -0.414 1.00 0.00 O ATOM 599 CB TYR A 40 -1.495 -7.554 2.321 1.00 0.00 C ATOM 600 CG TYR A 40 -1.466 -7.823 3.810 1.00 0.00 C ATOM 601 CD1 TYR A 40 -1.803 -9.071 4.311 1.00 0.00 C ATOM 602 CD2 TYR A 40 -1.099 -6.831 4.714 1.00 0.00 C ATOM 603 CE1 TYR A 40 -1.778 -9.327 5.669 1.00 0.00 C ATOM 604 CE2 TYR A 40 -1.069 -7.079 6.073 1.00 0.00 C ATOM 605 CZ TYR A 40 -1.409 -8.329 6.546 1.00 0.00 C ATOM 606 OH TYR A 40 -1.382 -8.580 7.898 1.00 0.00 O ATOM 0 H TYR A 40 -2.667 -8.975 0.060 1.00 0.00 H new ATOM 0 HA TYR A 40 -3.613 -7.674 2.531 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -0.812 -8.241 1.820 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -1.127 -6.545 2.133 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -2.090 -9.857 3.628 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -0.833 -5.851 4.347 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -2.046 -10.305 6.042 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -0.781 -6.298 6.761 1.00 0.00 H new ATOM 0 HH TYR A 40 -1.100 -7.772 8.375 1.00 0.00 H new ATOM 616 N VAL A 41 -3.811 -5.547 1.231 1.00 0.00 N ATOM 617 CA VAL A 41 -4.124 -4.420 0.377 1.00 0.00 C ATOM 618 C VAL A 41 -3.318 -3.205 0.778 1.00 0.00 C ATOM 619 O VAL A 41 -3.276 -2.822 1.946 1.00 0.00 O ATOM 620 CB VAL A 41 -5.625 -4.099 0.376 1.00 0.00 C ATOM 621 CG1 VAL A 41 -6.315 -4.892 -0.722 1.00 0.00 C ATOM 622 CG2 VAL A 41 -6.241 -4.422 1.729 1.00 0.00 C ATOM 0 H VAL A 41 -4.128 -5.459 2.196 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.851 -4.699 -0.641 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.759 -3.034 0.187 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -7.381 -4.663 -0.721 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -5.887 -4.624 -1.688 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -6.173 -5.958 -0.545 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -7.305 -4.188 1.709 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -6.106 -5.482 1.946 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -5.753 -3.828 2.502 1.00 0.00 H new ATOM 632 N LEU A 42 -2.656 -2.620 -0.201 1.00 0.00 N ATOM 633 CA LEU A 42 -1.823 -1.466 0.029 1.00 0.00 C ATOM 634 C LEU A 42 -2.482 -0.221 -0.511 1.00 0.00 C ATOM 635 O LEU A 42 -3.047 -0.236 -1.593 1.00 0.00 O ATOM 636 CB LEU A 42 -0.474 -1.656 -0.651 1.00 0.00 C ATOM 637 CG LEU A 42 0.435 -0.431 -0.640 1.00 0.00 C ATOM 638 CD1 LEU A 42 0.706 -0.001 0.784 1.00 0.00 C ATOM 639 CD2 LEU A 42 1.730 -0.747 -1.363 1.00 0.00 C ATOM 0 H LEU A 42 -2.683 -2.932 -1.172 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.680 -1.355 1.104 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.048 -2.480 -0.165 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.645 -1.953 -1.686 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.059 0.391 -1.158 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.356 0.874 0.782 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.235 0.247 1.275 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.193 -0.814 1.323 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.376 0.131 -1.353 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.234 -1.574 -0.863 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.512 -1.025 -2.394 1.00 0.00 H new ATOM 651 N SER A 43 -2.389 0.859 0.229 1.00 0.00 N ATOM 652 CA SER A 43 -2.966 2.106 -0.221 1.00 0.00 C ATOM 653 C SER A 43 -1.946 3.210 -0.177 1.00 0.00 C ATOM 654 O SER A 43 -0.954 3.137 0.542 1.00 0.00 O ATOM 655 CB SER A 43 -4.215 2.463 0.568 1.00 0.00 C ATOM 656 OG SER A 43 -3.979 3.509 1.490 1.00 0.00 O ATOM 0 H SER A 43 -1.925 0.901 1.136 1.00 0.00 H new ATOM 0 HA SER A 43 -3.274 1.977 -1.258 1.00 0.00 H new ATOM 0 HB2 SER A 43 -5.007 2.759 -0.121 1.00 0.00 H new ATOM 0 HB3 SER A 43 -4.570 1.582 1.103 1.00 0.00 H new ATOM 0 HG SER A 43 -4.666 4.200 1.384 1.00 0.00 H new ATOM 662 N VAL A 44 -2.175 4.218 -0.987 1.00 0.00 N ATOM 663 CA VAL A 44 -1.239 5.327 -1.056 1.00 0.00 C ATOM 664 C VAL A 44 -1.932 6.654 -1.333 1.00 0.00 C ATOM 665 O VAL A 44 -2.929 6.707 -2.050 1.00 0.00 O ATOM 666 CB VAL A 44 -0.165 5.069 -2.135 1.00 0.00 C ATOM 667 CG1 VAL A 44 -0.720 5.292 -3.532 1.00 0.00 C ATOM 668 CG2 VAL A 44 1.057 5.940 -1.896 1.00 0.00 C ATOM 0 H VAL A 44 -2.986 4.298 -1.600 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.765 5.396 -0.077 1.00 0.00 H new ATOM 0 HB VAL A 44 0.137 4.024 -2.061 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.061 5.102 -4.268 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.555 4.612 -3.705 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -1.065 6.322 -3.626 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.801 5.742 -2.667 1.00 0.00 H new ATOM 0 HG22 VAL A 44 0.768 6.990 -1.931 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.480 5.713 -0.917 1.00 0.00 H new ATOM 678 N ARG A 45 -1.370 7.731 -0.788 1.00 0.00 N ATOM 679 CA ARG A 45 -1.904 9.065 -1.020 1.00 0.00 C ATOM 680 C ARG A 45 -1.521 9.495 -2.422 1.00 0.00 C ATOM 681 O ARG A 45 -2.004 10.502 -2.940 1.00 0.00 O ATOM 682 CB ARG A 45 -1.335 10.069 -0.012 1.00 0.00 C ATOM 683 CG ARG A 45 -1.936 11.462 -0.125 1.00 0.00 C ATOM 684 CD ARG A 45 -0.926 12.530 0.263 1.00 0.00 C ATOM 685 NE ARG A 45 -0.794 13.571 -0.753 1.00 0.00 N ATOM 686 CZ ARG A 45 -1.704 14.519 -0.968 1.00 0.00 C ATOM 687 NH1 ARG A 45 -2.834 14.534 -0.274 1.00 0.00 N ATOM 688 NH2 ARG A 45 -1.483 15.453 -1.884 1.00 0.00 N ATOM 0 H ARG A 45 -0.548 7.703 -0.185 1.00 0.00 H new ATOM 0 HA ARG A 45 -2.987 9.040 -0.902 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -1.504 9.692 0.997 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -0.256 10.137 -0.151 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -2.275 11.633 -1.147 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -2.813 11.536 0.519 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -1.227 12.984 1.207 1.00 0.00 H new ATOM 0 HD3 ARG A 45 0.045 12.064 0.429 1.00 0.00 H new ATOM 0 HE ARG A 45 0.045 13.572 -1.332 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -3.010 13.817 0.429 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -3.527 15.263 -0.444 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -0.617 15.444 -2.423 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -2.179 16.180 -2.050 1.00 0.00 H new ATOM 702 N ASP A 46 -0.632 8.714 -3.029 1.00 0.00 N ATOM 703 CA ASP A 46 -0.156 9.007 -4.377 1.00 0.00 C ATOM 704 C ASP A 46 0.318 10.464 -4.469 1.00 0.00 C ATOM 705 O ASP A 46 1.243 10.862 -3.766 1.00 0.00 O ATOM 706 CB ASP A 46 -1.264 8.725 -5.400 1.00 0.00 C ATOM 707 CG ASP A 46 -1.959 7.409 -5.145 1.00 0.00 C ATOM 708 OD1 ASP A 46 -2.828 7.366 -4.253 1.00 0.00 O ATOM 709 OD2 ASP A 46 -1.633 6.421 -5.833 1.00 0.00 O ATOM 0 H ASP A 46 -0.228 7.876 -2.610 1.00 0.00 H new ATOM 0 HA ASP A 46 0.692 8.360 -4.603 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -1.996 9.532 -5.370 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -0.837 8.719 -6.403 1.00 0.00 H new ATOM 714 N THR A 47 -0.332 11.257 -5.317 1.00 0.00 N ATOM 715 CA THR A 47 0.008 12.663 -5.480 1.00 0.00 C ATOM 716 C THR A 47 -1.085 13.549 -4.881 1.00 0.00 C ATOM 717 O THR A 47 -0.911 14.759 -4.738 1.00 0.00 O ATOM 718 CB THR A 47 0.199 12.997 -6.960 1.00 0.00 C ATOM 719 OG1 THR A 47 0.579 14.352 -7.123 1.00 0.00 O ATOM 720 CG2 THR A 47 -1.045 12.767 -7.791 1.00 0.00 C ATOM 0 H THR A 47 -1.104 10.943 -5.906 1.00 0.00 H new ATOM 0 HA THR A 47 0.943 12.854 -4.953 1.00 0.00 H new ATOM 0 HB THR A 47 0.980 12.322 -7.310 1.00 0.00 H new ATOM 0 HG1 THR A 47 0.244 14.879 -6.368 1.00 0.00 H new ATOM 0 HG21 THR A 47 -0.841 13.023 -8.831 1.00 0.00 H new ATOM 0 HG22 THR A 47 -1.337 11.719 -7.726 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.854 13.393 -7.415 1.00 0.00 H new ATOM 728 N GLN A 48 -2.212 12.931 -4.535 1.00 0.00 N ATOM 729 CA GLN A 48 -3.341 13.645 -3.950 1.00 0.00 C ATOM 730 C GLN A 48 -4.317 12.670 -3.298 1.00 0.00 C ATOM 731 O GLN A 48 -4.151 12.294 -2.138 1.00 0.00 O ATOM 732 CB GLN A 48 -4.047 14.489 -5.017 1.00 0.00 C ATOM 733 CG GLN A 48 -3.391 15.839 -5.261 1.00 0.00 C ATOM 734 CD GLN A 48 -4.345 16.849 -5.871 1.00 0.00 C ATOM 735 OE1 GLN A 48 -5.066 16.543 -6.821 1.00 0.00 O ATOM 736 NE2 GLN A 48 -4.352 18.060 -5.326 1.00 0.00 N ATOM 0 H GLN A 48 -2.367 11.930 -4.651 1.00 0.00 H new ATOM 0 HA GLN A 48 -2.964 14.313 -3.176 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -4.069 13.931 -5.953 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -5.083 14.647 -4.716 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -3.009 16.229 -4.318 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -2.534 15.708 -5.922 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -3.737 18.269 -4.539 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -4.972 18.781 -5.694 1.00 0.00 H new ATOM 745 N ALA A 49 -5.326 12.261 -4.050 1.00 0.00 N ATOM 746 CA ALA A 49 -6.327 11.325 -3.551 1.00 0.00 C ATOM 747 C ALA A 49 -5.674 10.012 -3.129 1.00 0.00 C ATOM 748 O ALA A 49 -4.453 9.868 -3.204 1.00 0.00 O ATOM 749 CB ALA A 49 -7.391 11.073 -4.610 1.00 0.00 C ATOM 0 H ALA A 49 -5.476 12.563 -5.013 1.00 0.00 H new ATOM 0 HA ALA A 49 -6.804 11.767 -2.676 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -8.131 10.373 -4.223 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.880 12.013 -4.865 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.925 10.653 -5.501 1.00 0.00 H new ATOM 755 N VAL A 50 -6.486 9.057 -2.685 1.00 0.00 N ATOM 756 CA VAL A 50 -5.964 7.766 -2.256 1.00 0.00 C ATOM 757 C VAL A 50 -6.147 6.704 -3.329 1.00 0.00 C ATOM 758 O VAL A 50 -7.136 6.699 -4.062 1.00 0.00 O ATOM 759 CB VAL A 50 -6.629 7.275 -0.953 1.00 0.00 C ATOM 760 CG1 VAL A 50 -6.089 5.904 -0.556 1.00 0.00 C ATOM 761 CG2 VAL A 50 -6.406 8.284 0.160 1.00 0.00 C ATOM 0 H VAL A 50 -7.499 9.152 -2.614 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.900 7.919 -2.074 1.00 0.00 H new ATOM 0 HB VAL A 50 -7.701 7.178 -1.124 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -6.571 5.576 0.365 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -6.298 5.187 -1.350 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.012 5.968 -0.399 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -6.880 7.927 1.075 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.336 8.408 0.330 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.842 9.242 -0.124 1.00 0.00 H new ATOM 771 N ARG A 51 -5.185 5.797 -3.395 1.00 0.00 N ATOM 772 CA ARG A 51 -5.216 4.706 -4.351 1.00 0.00 C ATOM 773 C ARG A 51 -4.916 3.398 -3.639 1.00 0.00 C ATOM 774 O ARG A 51 -3.823 3.211 -3.105 1.00 0.00 O ATOM 775 CB ARG A 51 -4.200 4.943 -5.467 1.00 0.00 C ATOM 776 CG ARG A 51 -4.490 6.181 -6.294 1.00 0.00 C ATOM 777 CD ARG A 51 -3.747 6.160 -7.620 1.00 0.00 C ATOM 778 NE ARG A 51 -4.621 6.487 -8.744 1.00 0.00 N ATOM 779 CZ ARG A 51 -5.457 5.620 -9.311 1.00 0.00 C ATOM 780 NH1 ARG A 51 -5.535 4.373 -8.863 1.00 0.00 N ATOM 781 NH2 ARG A 51 -6.216 6.001 -10.329 1.00 0.00 N ATOM 0 H ARG A 51 -4.365 5.798 -2.789 1.00 0.00 H new ATOM 0 HA ARG A 51 -6.209 4.654 -4.797 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -3.206 5.032 -5.030 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -4.183 4.073 -6.123 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -5.562 6.252 -6.479 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -4.204 7.070 -5.731 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -2.922 6.871 -7.584 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -3.311 5.173 -7.775 1.00 0.00 H new ATOM 0 HE ARG A 51 -4.589 7.436 -9.116 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -4.953 4.075 -8.080 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -6.177 3.713 -9.301 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -6.159 6.958 -10.677 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -6.857 5.337 -10.764 1.00 0.00 H new ATOM 795 N HIS A 52 -5.889 2.502 -3.617 1.00 0.00 N ATOM 796 CA HIS A 52 -5.710 1.224 -2.949 1.00 0.00 C ATOM 797 C HIS A 52 -5.032 0.231 -3.875 1.00 0.00 C ATOM 798 O HIS A 52 -4.887 0.488 -5.069 1.00 0.00 O ATOM 799 CB HIS A 52 -7.055 0.662 -2.499 1.00 0.00 C ATOM 800 CG HIS A 52 -7.667 1.443 -1.395 1.00 0.00 C ATOM 801 ND1 HIS A 52 -7.026 1.654 -0.202 1.00 0.00 N ATOM 802 CD2 HIS A 52 -8.846 2.094 -1.313 1.00 0.00 C ATOM 803 CE1 HIS A 52 -7.775 2.409 0.568 1.00 0.00 C ATOM 804 NE2 HIS A 52 -8.895 2.690 -0.077 1.00 0.00 N ATOM 0 H HIS A 52 -6.803 2.634 -4.050 1.00 0.00 H new ATOM 0 HA HIS A 52 -5.080 1.386 -2.074 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -7.739 0.645 -3.348 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -6.922 -0.371 -2.177 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -6.110 1.282 0.049 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -9.608 2.138 -2.077 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -7.519 2.745 1.562 1.00 0.00 H new ATOM 813 N TYR A 53 -4.602 -0.899 -3.323 1.00 0.00 N ATOM 814 CA TYR A 53 -3.918 -1.906 -4.115 1.00 0.00 C ATOM 815 C TYR A 53 -4.040 -3.297 -3.501 1.00 0.00 C ATOM 816 O TYR A 53 -3.719 -3.496 -2.334 1.00 0.00 O ATOM 817 CB TYR A 53 -2.442 -1.532 -4.240 1.00 0.00 C ATOM 818 CG TYR A 53 -2.211 -0.098 -4.664 1.00 0.00 C ATOM 819 CD1 TYR A 53 -2.433 0.292 -5.974 1.00 0.00 C ATOM 820 CD2 TYR A 53 -1.773 0.864 -3.758 1.00 0.00 C ATOM 821 CE1 TYR A 53 -2.226 1.595 -6.379 1.00 0.00 C ATOM 822 CE2 TYR A 53 -1.562 2.169 -4.155 1.00 0.00 C ATOM 823 CZ TYR A 53 -1.789 2.530 -5.467 1.00 0.00 C ATOM 824 OH TYR A 53 -1.580 3.829 -5.869 1.00 0.00 O ATOM 0 H TYR A 53 -4.715 -1.136 -2.337 1.00 0.00 H new ATOM 0 HA TYR A 53 -4.389 -1.936 -5.098 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -1.951 -1.702 -3.282 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -1.968 -2.196 -4.963 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -2.775 -0.438 -6.693 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -1.596 0.585 -2.730 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -2.406 1.880 -7.405 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -1.221 2.904 -3.442 1.00 0.00 H new ATOM 0 HH TYR A 53 -2.180 4.041 -6.615 1.00 0.00 H new ATOM 834 N LYS A 54 -4.476 -4.260 -4.304 1.00 0.00 N ATOM 835 CA LYS A 54 -4.604 -5.637 -3.844 1.00 0.00 C ATOM 836 C LYS A 54 -3.266 -6.347 -3.978 1.00 0.00 C ATOM 837 O LYS A 54 -2.841 -6.683 -5.082 1.00 0.00 O ATOM 838 CB LYS A 54 -5.666 -6.382 -4.657 1.00 0.00 C ATOM 839 CG LYS A 54 -5.956 -7.782 -4.141 1.00 0.00 C ATOM 840 CD LYS A 54 -7.157 -8.398 -4.842 1.00 0.00 C ATOM 841 CE LYS A 54 -6.893 -8.609 -6.324 1.00 0.00 C ATOM 842 NZ LYS A 54 -8.018 -8.114 -7.165 1.00 0.00 N ATOM 0 H LYS A 54 -4.747 -4.113 -5.276 1.00 0.00 H new ATOM 0 HA LYS A 54 -4.911 -5.627 -2.798 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.589 -5.803 -4.650 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.338 -6.447 -5.694 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -5.081 -8.415 -4.292 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -6.140 -7.744 -3.067 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -7.401 -9.353 -4.376 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -8.025 -7.750 -4.715 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -5.975 -8.094 -6.606 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -6.735 -9.670 -6.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -7.799 -8.276 -8.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -8.889 -8.623 -6.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -8.153 -7.096 -7.000 1.00 0.00 H new ATOM 856 N ILE A 55 -2.611 -6.581 -2.849 1.00 0.00 N ATOM 857 CA ILE A 55 -1.323 -7.254 -2.835 1.00 0.00 C ATOM 858 C ILE A 55 -1.551 -8.748 -2.667 1.00 0.00 C ATOM 859 O ILE A 55 -1.709 -9.239 -1.550 1.00 0.00 O ATOM 860 CB ILE A 55 -0.416 -6.745 -1.692 1.00 0.00 C ATOM 861 CG1 ILE A 55 -0.712 -5.283 -1.330 1.00 0.00 C ATOM 862 CG2 ILE A 55 1.052 -6.898 -2.055 1.00 0.00 C ATOM 863 CD1 ILE A 55 -0.520 -4.995 0.141 1.00 0.00 C ATOM 0 H ILE A 55 -2.954 -6.312 -1.927 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.819 -7.041 -3.778 1.00 0.00 H new ATOM 0 HB ILE A 55 -0.635 -7.359 -0.819 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.061 -4.630 -1.912 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.737 -5.044 -1.612 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.670 -6.533 -1.235 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.274 -7.950 -2.236 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.266 -6.322 -2.955 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -0.743 -3.947 0.339 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -1.190 -5.625 0.726 1.00 0.00 H new ATOM 0 HD13 ILE A 55 0.512 -5.205 0.421 1.00 0.00 H new ATOM 875 N TRP A 56 -1.599 -9.453 -3.786 1.00 0.00 N ATOM 876 CA TRP A 56 -1.853 -10.887 -3.779 1.00 0.00 C ATOM 877 C TRP A 56 -0.576 -11.685 -3.546 1.00 0.00 C ATOM 878 O TRP A 56 0.465 -11.407 -4.141 1.00 0.00 O ATOM 879 CB TRP A 56 -2.497 -11.296 -5.107 1.00 0.00 C ATOM 880 CG TRP A 56 -3.409 -12.483 -5.003 1.00 0.00 C ATOM 881 CD1 TRP A 56 -3.179 -13.643 -4.322 1.00 0.00 C ATOM 882 CD2 TRP A 56 -4.698 -12.624 -5.613 1.00 0.00 C ATOM 883 NE1 TRP A 56 -4.248 -14.495 -4.466 1.00 0.00 N ATOM 884 CE2 TRP A 56 -5.192 -13.892 -5.254 1.00 0.00 C ATOM 885 CE3 TRP A 56 -5.481 -11.800 -6.425 1.00 0.00 C ATOM 886 CZ2 TRP A 56 -6.435 -14.354 -5.680 1.00 0.00 C ATOM 887 CZ3 TRP A 56 -6.715 -12.259 -6.848 1.00 0.00 C ATOM 888 CH2 TRP A 56 -7.181 -13.526 -6.474 1.00 0.00 C ATOM 0 H TRP A 56 -1.465 -9.054 -4.715 1.00 0.00 H new ATOM 0 HA TRP A 56 -2.531 -11.109 -2.955 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -3.061 -10.451 -5.501 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -1.710 -11.518 -5.828 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -2.287 -13.860 -3.753 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -4.326 -15.425 -4.053 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -5.129 -10.822 -6.717 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -6.797 -15.331 -5.394 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -7.329 -11.631 -7.476 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -8.149 -13.856 -6.820 1.00 0.00 H new ATOM 899 N ARG A 57 -0.674 -12.684 -2.676 1.00 0.00 N ATOM 900 CA ARG A 57 0.460 -13.538 -2.357 1.00 0.00 C ATOM 901 C ARG A 57 0.580 -14.657 -3.385 1.00 0.00 C ATOM 902 O ARG A 57 -0.337 -14.889 -4.173 1.00 0.00 O ATOM 903 CB ARG A 57 0.301 -14.129 -0.952 1.00 0.00 C ATOM 904 CG ARG A 57 1.419 -13.741 0.002 1.00 0.00 C ATOM 905 CD ARG A 57 1.044 -14.038 1.446 1.00 0.00 C ATOM 906 NE ARG A 57 2.199 -14.462 2.234 1.00 0.00 N ATOM 907 CZ ARG A 57 2.246 -14.418 3.564 1.00 0.00 C ATOM 908 NH1 ARG A 57 1.207 -13.969 4.257 1.00 0.00 N ATOM 909 NH2 ARG A 57 3.335 -14.824 4.201 1.00 0.00 N ATOM 0 H ARG A 57 -1.532 -12.922 -2.178 1.00 0.00 H new ATOM 0 HA ARG A 57 1.368 -12.936 -2.383 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -0.651 -13.801 -0.535 1.00 0.00 H new ATOM 0 HB3 ARG A 57 0.259 -15.216 -1.027 1.00 0.00 H new ATOM 0 HG2 ARG A 57 2.327 -14.285 -0.259 1.00 0.00 H new ATOM 0 HG3 ARG A 57 1.640 -12.679 -0.107 1.00 0.00 H new ATOM 0 HD2 ARG A 57 0.604 -13.148 1.897 1.00 0.00 H new ATOM 0 HD3 ARG A 57 0.282 -14.817 1.470 1.00 0.00 H new ATOM 0 HE ARG A 57 3.017 -14.812 1.736 1.00 0.00 H new ATOM 0 HH11 ARG A 57 0.367 -13.655 3.771 1.00 0.00 H new ATOM 0 HH12 ARG A 57 1.249 -13.938 5.276 1.00 0.00 H new ATOM 0 HH21 ARG A 57 4.136 -15.170 3.672 1.00 0.00 H new ATOM 0 HH22 ARG A 57 3.372 -14.791 5.220 1.00 0.00 H new ATOM 923 N ARG A 58 1.714 -15.342 -3.378 1.00 0.00 N ATOM 924 CA ARG A 58 1.950 -16.430 -4.319 1.00 0.00 C ATOM 925 C ARG A 58 1.901 -17.785 -3.620 1.00 0.00 C ATOM 926 O ARG A 58 2.526 -18.747 -4.065 1.00 0.00 O ATOM 927 CB ARG A 58 3.303 -16.239 -5.003 1.00 0.00 C ATOM 928 CG ARG A 58 3.232 -15.393 -6.263 1.00 0.00 C ATOM 929 CD ARG A 58 4.375 -15.708 -7.212 1.00 0.00 C ATOM 930 NE ARG A 58 4.310 -17.078 -7.714 1.00 0.00 N ATOM 931 CZ ARG A 58 5.227 -17.618 -8.514 1.00 0.00 C ATOM 932 NH1 ARG A 58 6.279 -16.909 -8.903 1.00 0.00 N ATOM 933 NH2 ARG A 58 5.092 -18.872 -8.926 1.00 0.00 N ATOM 0 H ARG A 58 2.484 -15.165 -2.733 1.00 0.00 H new ATOM 0 HA ARG A 58 1.159 -16.411 -5.069 1.00 0.00 H new ATOM 0 HB2 ARG A 58 3.994 -15.773 -4.300 1.00 0.00 H new ATOM 0 HB3 ARG A 58 3.715 -17.216 -5.254 1.00 0.00 H new ATOM 0 HG2 ARG A 58 2.281 -15.568 -6.767 1.00 0.00 H new ATOM 0 HG3 ARG A 58 3.261 -14.337 -5.995 1.00 0.00 H new ATOM 0 HD2 ARG A 58 4.351 -15.013 -8.051 1.00 0.00 H new ATOM 0 HD3 ARG A 58 5.324 -15.555 -6.699 1.00 0.00 H new ATOM 0 HE ARG A 58 3.516 -17.655 -7.436 1.00 0.00 H new ATOM 0 HH11 ARG A 58 6.388 -15.945 -8.589 1.00 0.00 H new ATOM 0 HH12 ARG A 58 6.978 -17.328 -9.516 1.00 0.00 H new ATOM 0 HH21 ARG A 58 4.286 -19.422 -8.630 1.00 0.00 H new ATOM 0 HH22 ARG A 58 5.794 -19.286 -9.539 1.00 0.00 H new ATOM 947 N ALA A 59 1.153 -17.854 -2.521 1.00 0.00 N ATOM 948 CA ALA A 59 1.021 -19.092 -1.758 1.00 0.00 C ATOM 949 C ALA A 59 2.385 -19.704 -1.451 1.00 0.00 C ATOM 950 O ALA A 59 2.505 -20.914 -1.259 1.00 0.00 O ATOM 951 CB ALA A 59 0.152 -20.086 -2.514 1.00 0.00 C ATOM 0 H ALA A 59 0.629 -17.067 -2.139 1.00 0.00 H new ATOM 0 HA ALA A 59 0.542 -18.852 -0.809 1.00 0.00 H new ATOM 0 HB1 ALA A 59 0.062 -21.005 -1.934 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -0.838 -19.658 -2.672 1.00 0.00 H new ATOM 0 HB3 ALA A 59 0.609 -20.309 -3.478 1.00 0.00 H new ATOM 957 N GLY A 60 3.412 -18.860 -1.409 1.00 0.00 N ATOM 958 CA GLY A 60 4.753 -19.335 -1.127 1.00 0.00 C ATOM 959 C GLY A 60 5.734 -18.201 -0.906 1.00 0.00 C ATOM 960 O GLY A 60 6.925 -18.339 -1.182 1.00 0.00 O ATOM 0 H GLY A 60 3.338 -17.855 -1.566 1.00 0.00 H new ATOM 0 HA2 GLY A 60 4.732 -19.971 -0.242 1.00 0.00 H new ATOM 0 HA3 GLY A 60 5.098 -19.954 -1.955 1.00 0.00 H new ATOM 964 N GLY A 61 5.233 -17.078 -0.403 1.00 0.00 N ATOM 965 CA GLY A 61 6.086 -15.933 -0.151 1.00 0.00 C ATOM 966 C GLY A 61 6.389 -15.138 -1.406 1.00 0.00 C ATOM 967 O GLY A 61 7.475 -15.251 -1.972 1.00 0.00 O ATOM 0 H GLY A 61 4.251 -16.941 -0.165 1.00 0.00 H new ATOM 0 HA2 GLY A 61 5.606 -15.282 0.579 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.022 -16.273 0.293 1.00 0.00 H new ATOM 971 N ARG A 62 5.429 -14.325 -1.838 1.00 0.00 N ATOM 972 CA ARG A 62 5.602 -13.499 -3.030 1.00 0.00 C ATOM 973 C ARG A 62 4.362 -12.647 -3.287 1.00 0.00 C ATOM 974 O ARG A 62 3.335 -13.141 -3.751 1.00 0.00 O ATOM 975 CB ARG A 62 5.915 -14.367 -4.252 1.00 0.00 C ATOM 976 CG ARG A 62 7.200 -13.972 -4.963 1.00 0.00 C ATOM 977 CD ARG A 62 7.879 -15.172 -5.603 1.00 0.00 C ATOM 978 NE ARG A 62 8.159 -16.227 -4.631 1.00 0.00 N ATOM 979 CZ ARG A 62 9.219 -16.230 -3.825 1.00 0.00 C ATOM 980 NH1 ARG A 62 10.095 -15.235 -3.864 1.00 0.00 N ATOM 981 NH2 ARG A 62 9.399 -17.231 -2.974 1.00 0.00 N ATOM 0 H ARG A 62 4.523 -14.220 -1.381 1.00 0.00 H new ATOM 0 HA ARG A 62 6.446 -12.832 -2.855 1.00 0.00 H new ATOM 0 HB2 ARG A 62 5.988 -15.409 -3.939 1.00 0.00 H new ATOM 0 HB3 ARG A 62 5.085 -14.303 -4.956 1.00 0.00 H new ATOM 0 HG2 ARG A 62 6.979 -13.228 -5.728 1.00 0.00 H new ATOM 0 HG3 ARG A 62 7.881 -13.505 -4.252 1.00 0.00 H new ATOM 0 HD2 ARG A 62 7.243 -15.568 -6.395 1.00 0.00 H new ATOM 0 HD3 ARG A 62 8.811 -14.854 -6.071 1.00 0.00 H new ATOM 0 HE ARG A 62 7.504 -17.006 -4.566 1.00 0.00 H new ATOM 0 HH11 ARG A 62 9.959 -14.461 -4.514 1.00 0.00 H new ATOM 0 HH12 ARG A 62 10.905 -15.244 -3.244 1.00 0.00 H new ATOM 0 HH21 ARG A 62 8.726 -17.997 -2.938 1.00 0.00 H new ATOM 0 HH22 ARG A 62 10.210 -17.235 -2.356 1.00 0.00 H new ATOM 995 N LEU A 63 4.476 -11.361 -2.975 1.00 0.00 N ATOM 996 CA LEU A 63 3.383 -10.414 -3.158 1.00 0.00 C ATOM 997 C LEU A 63 3.433 -9.779 -4.539 1.00 0.00 C ATOM 998 O LEU A 63 4.506 -9.567 -5.097 1.00 0.00 O ATOM 999 CB LEU A 63 3.444 -9.319 -2.094 1.00 0.00 C ATOM 1000 CG LEU A 63 2.932 -9.733 -0.718 1.00 0.00 C ATOM 1001 CD1 LEU A 63 1.458 -10.094 -0.789 1.00 0.00 C ATOM 1002 CD2 LEU A 63 3.748 -10.900 -0.184 1.00 0.00 C ATOM 0 H LEU A 63 5.325 -10.947 -2.590 1.00 0.00 H new ATOM 0 HA LEU A 63 2.448 -10.965 -3.060 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.477 -8.985 -1.996 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.863 -8.464 -2.440 1.00 0.00 H new ATOM 0 HG LEU A 63 3.044 -8.892 -0.033 1.00 0.00 H new ATOM 0 HD11 LEU A 63 1.107 -10.387 0.200 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.888 -9.231 -1.135 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.319 -10.923 -1.483 1.00 0.00 H new ATOM 0 HD21 LEU A 63 3.373 -11.187 0.799 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.662 -11.746 -0.866 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.794 -10.605 -0.101 1.00 0.00 H new ATOM 1014 N HIS A 64 2.264 -9.465 -5.078 1.00 0.00 N ATOM 1015 CA HIS A 64 2.174 -8.841 -6.387 1.00 0.00 C ATOM 1016 C HIS A 64 0.872 -8.062 -6.524 1.00 0.00 C ATOM 1017 O HIS A 64 -0.185 -8.644 -6.767 1.00 0.00 O ATOM 1018 CB HIS A 64 2.286 -9.893 -7.495 1.00 0.00 C ATOM 1019 CG HIS A 64 1.167 -10.888 -7.503 1.00 0.00 C ATOM 1020 ND1 HIS A 64 0.039 -10.745 -8.284 1.00 0.00 N ATOM 1021 CD2 HIS A 64 1.011 -12.052 -6.830 1.00 0.00 C ATOM 1022 CE1 HIS A 64 -0.762 -11.778 -8.090 1.00 0.00 C ATOM 1023 NE2 HIS A 64 -0.194 -12.585 -7.213 1.00 0.00 N ATOM 0 H HIS A 64 1.364 -9.633 -4.627 1.00 0.00 H new ATOM 0 HA HIS A 64 3.005 -8.143 -6.488 1.00 0.00 H new ATOM 0 HB2 HIS A 64 2.317 -9.388 -8.460 1.00 0.00 H new ATOM 0 HB3 HIS A 64 3.231 -10.425 -7.383 1.00 0.00 H new ATOM 0 HD2 HIS A 64 1.706 -12.481 -6.123 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -1.718 -11.935 -8.567 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -0.587 -13.463 -6.875 1.00 0.00 H new ATOM 1032 N LEU A 65 0.952 -6.746 -6.369 1.00 0.00 N ATOM 1033 CA LEU A 65 -0.232 -5.906 -6.486 1.00 0.00 C ATOM 1034 C LEU A 65 -0.796 -5.993 -7.897 1.00 0.00 C ATOM 1035 O LEU A 65 -1.982 -5.759 -8.129 1.00 0.00 O ATOM 1036 CB LEU A 65 0.092 -4.452 -6.140 1.00 0.00 C ATOM 1037 CG LEU A 65 0.413 -4.200 -4.670 1.00 0.00 C ATOM 1038 CD1 LEU A 65 1.774 -4.776 -4.330 1.00 0.00 C ATOM 1039 CD2 LEU A 65 0.364 -2.711 -4.355 1.00 0.00 C ATOM 0 H LEU A 65 1.815 -6.242 -6.164 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.978 -6.267 -5.778 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.941 -4.130 -6.743 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.755 -3.828 -6.424 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.340 -4.697 -4.058 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.995 -4.591 -3.279 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.772 -5.850 -4.517 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.535 -4.301 -4.949 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.596 -2.554 -3.302 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.094 -2.185 -4.970 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.634 -2.327 -4.568 1.00 0.00 H new ATOM 1051 N ASN A 66 0.078 -6.342 -8.830 1.00 0.00 N ATOM 1052 CA ASN A 66 -0.291 -6.483 -10.231 1.00 0.00 C ATOM 1053 C ASN A 66 0.461 -7.652 -10.859 1.00 0.00 C ATOM 1054 O ASN A 66 1.297 -8.283 -10.211 1.00 0.00 O ATOM 1055 CB ASN A 66 0.009 -5.192 -10.994 1.00 0.00 C ATOM 1056 CG ASN A 66 -0.985 -4.936 -12.110 1.00 0.00 C ATOM 1057 OD1 ASN A 66 -0.607 -4.794 -13.273 1.00 0.00 O ATOM 1058 ND2 ASN A 66 -2.265 -4.873 -11.761 1.00 0.00 N ATOM 0 H ASN A 66 1.061 -6.535 -8.638 1.00 0.00 H new ATOM 0 HA ASN A 66 -1.361 -6.681 -10.290 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -0.004 -4.352 -10.300 1.00 0.00 H new ATOM 0 HB3 ASN A 66 1.014 -5.245 -11.412 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -2.979 -4.701 -12.469 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -2.534 -4.997 -10.785 1.00 0.00 H new ATOM 1065 N GLU A 67 0.164 -7.936 -12.122 1.00 0.00 N ATOM 1066 CA GLU A 67 0.813 -9.034 -12.829 1.00 0.00 C ATOM 1067 C GLU A 67 2.202 -8.643 -13.336 1.00 0.00 C ATOM 1068 O GLU A 67 2.728 -9.264 -14.259 1.00 0.00 O ATOM 1069 CB GLU A 67 -0.055 -9.495 -14.002 1.00 0.00 C ATOM 1070 CG GLU A 67 -0.314 -8.408 -15.033 1.00 0.00 C ATOM 1071 CD GLU A 67 -1.705 -8.492 -15.631 1.00 0.00 C ATOM 1072 OE1 GLU A 67 -2.237 -9.617 -15.741 1.00 0.00 O ATOM 1073 OE2 GLU A 67 -2.262 -7.434 -15.990 1.00 0.00 O ATOM 0 H GLU A 67 -0.521 -7.422 -12.677 1.00 0.00 H new ATOM 0 HA GLU A 67 0.933 -9.853 -12.119 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.430 -10.340 -14.491 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.010 -9.854 -13.617 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -0.181 -7.431 -14.567 1.00 0.00 H new ATOM 0 HG3 GLU A 67 0.426 -8.485 -15.830 1.00 0.00 H new ATOM 1080 N ALA A 68 2.797 -7.614 -12.734 1.00 0.00 N ATOM 1081 CA ALA A 68 4.121 -7.163 -13.141 1.00 0.00 C ATOM 1082 C ALA A 68 4.937 -6.640 -11.957 1.00 0.00 C ATOM 1083 O ALA A 68 5.980 -6.017 -12.149 1.00 0.00 O ATOM 1084 CB ALA A 68 4.003 -6.090 -14.212 1.00 0.00 C ATOM 0 H ALA A 68 2.384 -7.082 -11.968 1.00 0.00 H new ATOM 0 HA ALA A 68 4.650 -8.024 -13.548 1.00 0.00 H new ATOM 0 HB1 ALA A 68 4.999 -5.761 -14.508 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.482 -6.497 -15.079 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.443 -5.242 -13.818 1.00 0.00 H new ATOM 1090 N VAL A 69 4.466 -6.887 -10.733 1.00 0.00 N ATOM 1091 CA VAL A 69 5.182 -6.422 -9.546 1.00 0.00 C ATOM 1092 C VAL A 69 5.237 -7.497 -8.461 1.00 0.00 C ATOM 1093 O VAL A 69 4.754 -7.294 -7.348 1.00 0.00 O ATOM 1094 CB VAL A 69 4.540 -5.143 -8.969 1.00 0.00 C ATOM 1095 CG1 VAL A 69 4.523 -4.035 -10.011 1.00 0.00 C ATOM 1096 CG2 VAL A 69 3.132 -5.425 -8.461 1.00 0.00 C ATOM 0 H VAL A 69 3.605 -7.399 -10.540 1.00 0.00 H new ATOM 0 HA VAL A 69 6.200 -6.197 -9.864 1.00 0.00 H new ATOM 0 HB VAL A 69 5.144 -4.811 -8.125 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.066 -3.142 -9.585 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.544 -3.809 -10.319 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.946 -4.359 -10.877 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.700 -4.509 -8.059 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.514 -5.787 -9.283 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.173 -6.181 -7.677 1.00 0.00 H new ATOM 1106 N SER A 70 5.830 -8.641 -8.790 1.00 0.00 N ATOM 1107 CA SER A 70 5.944 -9.744 -7.840 1.00 0.00 C ATOM 1108 C SER A 70 7.173 -9.586 -6.943 1.00 0.00 C ATOM 1109 O SER A 70 8.268 -9.295 -7.422 1.00 0.00 O ATOM 1110 CB SER A 70 6.015 -11.077 -8.587 1.00 0.00 C ATOM 1111 OG SER A 70 5.347 -10.999 -9.834 1.00 0.00 O ATOM 0 H SER A 70 6.239 -8.829 -9.706 1.00 0.00 H new ATOM 0 HA SER A 70 5.058 -9.729 -7.206 1.00 0.00 H new ATOM 0 HB2 SER A 70 7.057 -11.353 -8.746 1.00 0.00 H new ATOM 0 HB3 SER A 70 5.566 -11.863 -7.979 1.00 0.00 H new ATOM 0 HG SER A 70 5.408 -11.863 -10.293 1.00 0.00 H new ATOM 1117 N PHE A 71 6.979 -9.785 -5.640 1.00 0.00 N ATOM 1118 CA PHE A 71 8.069 -9.670 -4.676 1.00 0.00 C ATOM 1119 C PHE A 71 7.792 -10.496 -3.424 1.00 0.00 C ATOM 1120 O PHE A 71 6.768 -10.333 -2.765 1.00 0.00 O ATOM 1121 CB PHE A 71 8.306 -8.205 -4.314 1.00 0.00 C ATOM 1122 CG PHE A 71 9.567 -7.651 -4.912 1.00 0.00 C ATOM 1123 CD1 PHE A 71 10.804 -7.981 -4.380 1.00 0.00 C ATOM 1124 CD2 PHE A 71 9.519 -6.810 -6.012 1.00 0.00 C ATOM 1125 CE1 PHE A 71 11.967 -7.481 -4.933 1.00 0.00 C ATOM 1126 CE2 PHE A 71 10.680 -6.306 -6.568 1.00 0.00 C ATOM 1127 CZ PHE A 71 11.905 -6.643 -6.028 1.00 0.00 C ATOM 0 H PHE A 71 6.077 -10.026 -5.229 1.00 0.00 H new ATOM 0 HA PHE A 71 8.972 -10.066 -5.140 1.00 0.00 H new ATOM 0 HB2 PHE A 71 7.458 -7.611 -4.653 1.00 0.00 H new ATOM 0 HB3 PHE A 71 8.351 -8.107 -3.229 1.00 0.00 H new ATOM 0 HD1 PHE A 71 10.859 -8.636 -3.523 1.00 0.00 H new ATOM 0 HD2 PHE A 71 8.563 -6.545 -6.440 1.00 0.00 H new ATOM 0 HE1 PHE A 71 12.924 -7.746 -4.509 1.00 0.00 H new ATOM 0 HE2 PHE A 71 10.629 -5.649 -7.424 1.00 0.00 H new ATOM 0 HZ PHE A 71 12.813 -6.252 -6.462 1.00 0.00 H new ATOM 1137 N LEU A 72 8.733 -11.387 -3.130 1.00 0.00 N ATOM 1138 CA LEU A 72 8.676 -12.294 -1.980 1.00 0.00 C ATOM 1139 C LEU A 72 7.833 -11.774 -0.808 1.00 0.00 C ATOM 1140 O LEU A 72 7.130 -12.550 -0.160 1.00 0.00 O ATOM 1141 CB LEU A 72 10.097 -12.564 -1.495 1.00 0.00 C ATOM 1142 CG LEU A 72 11.008 -11.336 -1.492 1.00 0.00 C ATOM 1143 CD1 LEU A 72 10.823 -10.543 -0.206 1.00 0.00 C ATOM 1144 CD2 LEU A 72 12.462 -11.748 -1.668 1.00 0.00 C ATOM 0 H LEU A 72 9.575 -11.504 -3.693 1.00 0.00 H new ATOM 0 HA LEU A 72 8.185 -13.204 -2.326 1.00 0.00 H new ATOM 0 HB2 LEU A 72 10.052 -12.970 -0.484 1.00 0.00 H new ATOM 0 HB3 LEU A 72 10.544 -13.331 -2.127 1.00 0.00 H new ATOM 0 HG LEU A 72 10.733 -10.698 -2.332 1.00 0.00 H new ATOM 0 HD11 LEU A 72 11.478 -9.672 -0.218 1.00 0.00 H new ATOM 0 HD12 LEU A 72 9.786 -10.216 -0.126 1.00 0.00 H new ATOM 0 HD13 LEU A 72 11.072 -11.172 0.648 1.00 0.00 H new ATOM 0 HD21 LEU A 72 13.095 -10.860 -1.663 1.00 0.00 H new ATOM 0 HD22 LEU A 72 12.755 -12.407 -0.851 1.00 0.00 H new ATOM 0 HD23 LEU A 72 12.579 -12.272 -2.616 1.00 0.00 H new ATOM 1156 N SER A 73 7.916 -10.478 -0.517 1.00 0.00 N ATOM 1157 CA SER A 73 7.166 -9.912 0.602 1.00 0.00 C ATOM 1158 C SER A 73 6.767 -8.463 0.353 1.00 0.00 C ATOM 1159 O SER A 73 7.301 -7.804 -0.537 1.00 0.00 O ATOM 1160 CB SER A 73 7.995 -10.004 1.885 1.00 0.00 C ATOM 1161 OG SER A 73 7.167 -9.945 3.034 1.00 0.00 O ATOM 0 H SER A 73 8.487 -9.808 -1.032 1.00 0.00 H new ATOM 0 HA SER A 73 6.250 -10.494 0.707 1.00 0.00 H new ATOM 0 HB2 SER A 73 8.562 -10.935 1.889 1.00 0.00 H new ATOM 0 HB3 SER A 73 8.719 -9.190 1.913 1.00 0.00 H new ATOM 0 HG SER A 73 7.721 -10.008 3.840 1.00 0.00 H new ATOM 1167 N LEU A 74 5.826 -7.971 1.163 1.00 0.00 N ATOM 1168 CA LEU A 74 5.359 -6.594 1.045 1.00 0.00 C ATOM 1169 C LEU A 74 6.542 -5.629 1.043 1.00 0.00 C ATOM 1170 O LEU A 74 6.668 -4.787 0.160 1.00 0.00 O ATOM 1171 CB LEU A 74 4.428 -6.231 2.200 1.00 0.00 C ATOM 1172 CG LEU A 74 2.990 -5.897 1.802 1.00 0.00 C ATOM 1173 CD1 LEU A 74 2.951 -5.115 0.493 1.00 0.00 C ATOM 1174 CD2 LEU A 74 2.153 -7.162 1.695 1.00 0.00 C ATOM 0 H LEU A 74 5.376 -8.507 1.905 1.00 0.00 H new ATOM 0 HA LEU A 74 4.813 -6.511 0.105 1.00 0.00 H new ATOM 0 HB2 LEU A 74 4.408 -7.063 2.904 1.00 0.00 H new ATOM 0 HB3 LEU A 74 4.849 -5.376 2.729 1.00 0.00 H new ATOM 0 HG LEU A 74 2.564 -5.268 2.584 1.00 0.00 H new ATOM 0 HD11 LEU A 74 1.916 -4.891 0.234 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.506 -4.184 0.609 1.00 0.00 H new ATOM 0 HD13 LEU A 74 3.403 -5.711 -0.300 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.134 -6.901 1.411 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.583 -7.820 0.940 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.142 -7.673 2.658 1.00 0.00 H new ATOM 1186 N PRO A 75 7.431 -5.744 2.051 1.00 0.00 N ATOM 1187 CA PRO A 75 8.609 -4.883 2.172 1.00 0.00 C ATOM 1188 C PRO A 75 9.341 -4.726 0.847 1.00 0.00 C ATOM 1189 O PRO A 75 9.526 -3.614 0.352 1.00 0.00 O ATOM 1190 CB PRO A 75 9.483 -5.625 3.182 1.00 0.00 C ATOM 1191 CG PRO A 75 8.521 -6.382 4.033 1.00 0.00 C ATOM 1192 CD PRO A 75 7.351 -6.728 3.149 1.00 0.00 C ATOM 0 HA PRO A 75 8.350 -3.869 2.477 1.00 0.00 H new ATOM 0 HB2 PRO A 75 10.182 -6.296 2.683 1.00 0.00 H new ATOM 0 HB3 PRO A 75 10.077 -4.931 3.777 1.00 0.00 H new ATOM 0 HG2 PRO A 75 8.984 -7.283 4.435 1.00 0.00 H new ATOM 0 HG3 PRO A 75 8.200 -5.782 4.884 1.00 0.00 H new ATOM 0 HD2 PRO A 75 7.421 -7.750 2.776 1.00 0.00 H new ATOM 0 HD3 PRO A 75 6.407 -6.650 3.688 1.00 0.00 H new ATOM 1200 N GLU A 76 9.744 -5.852 0.270 1.00 0.00 N ATOM 1201 CA GLU A 76 10.443 -5.844 -1.005 1.00 0.00 C ATOM 1202 C GLU A 76 9.494 -5.415 -2.116 1.00 0.00 C ATOM 1203 O GLU A 76 9.876 -4.687 -3.033 1.00 0.00 O ATOM 1204 CB GLU A 76 11.012 -7.232 -1.300 1.00 0.00 C ATOM 1205 CG GLU A 76 11.918 -7.763 -0.200 1.00 0.00 C ATOM 1206 CD GLU A 76 12.987 -6.768 0.210 1.00 0.00 C ATOM 1207 OE1 GLU A 76 12.716 -5.940 1.105 1.00 0.00 O ATOM 1208 OE2 GLU A 76 14.095 -6.817 -0.363 1.00 0.00 O ATOM 0 H GLU A 76 9.598 -6.780 0.666 1.00 0.00 H new ATOM 0 HA GLU A 76 11.267 -5.133 -0.954 1.00 0.00 H new ATOM 0 HB2 GLU A 76 10.188 -7.930 -1.449 1.00 0.00 H new ATOM 0 HB3 GLU A 76 11.572 -7.195 -2.235 1.00 0.00 H new ATOM 0 HG2 GLU A 76 11.314 -8.020 0.670 1.00 0.00 H new ATOM 0 HG3 GLU A 76 12.395 -8.682 -0.540 1.00 0.00 H new ATOM 1215 N LEU A 77 8.248 -5.864 -2.012 1.00 0.00 N ATOM 1216 CA LEU A 77 7.222 -5.525 -2.991 1.00 0.00 C ATOM 1217 C LEU A 77 7.029 -4.012 -3.057 1.00 0.00 C ATOM 1218 O LEU A 77 7.019 -3.424 -4.138 1.00 0.00 O ATOM 1219 CB LEU A 77 5.908 -6.239 -2.629 1.00 0.00 C ATOM 1220 CG LEU A 77 4.608 -5.559 -3.081 1.00 0.00 C ATOM 1221 CD1 LEU A 77 4.249 -4.408 -2.151 1.00 0.00 C ATOM 1222 CD2 LEU A 77 4.714 -5.080 -4.524 1.00 0.00 C ATOM 0 H LEU A 77 7.923 -6.466 -1.256 1.00 0.00 H new ATOM 0 HA LEU A 77 7.538 -5.862 -3.978 1.00 0.00 H new ATOM 0 HB2 LEU A 77 5.935 -7.241 -3.058 1.00 0.00 H new ATOM 0 HB3 LEU A 77 5.872 -6.357 -1.546 1.00 0.00 H new ATOM 0 HG LEU A 77 3.807 -6.297 -3.032 1.00 0.00 H new ATOM 0 HD11 LEU A 77 3.325 -3.941 -2.490 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.113 -4.787 -1.138 1.00 0.00 H new ATOM 0 HD13 LEU A 77 5.052 -3.671 -2.158 1.00 0.00 H new ATOM 0 HD21 LEU A 77 3.780 -4.602 -4.818 1.00 0.00 H new ATOM 0 HD22 LEU A 77 5.531 -4.363 -4.610 1.00 0.00 H new ATOM 0 HD23 LEU A 77 4.908 -5.931 -5.177 1.00 0.00 H new ATOM 1234 N VAL A 78 6.890 -3.389 -1.893 1.00 0.00 N ATOM 1235 CA VAL A 78 6.713 -1.947 -1.815 1.00 0.00 C ATOM 1236 C VAL A 78 7.985 -1.239 -2.273 1.00 0.00 C ATOM 1237 O VAL A 78 7.928 -0.169 -2.879 1.00 0.00 O ATOM 1238 CB VAL A 78 6.345 -1.506 -0.379 1.00 0.00 C ATOM 1239 CG1 VAL A 78 6.369 0.012 -0.238 1.00 0.00 C ATOM 1240 CG2 VAL A 78 4.977 -2.053 0.010 1.00 0.00 C ATOM 0 H VAL A 78 6.897 -3.862 -0.989 1.00 0.00 H new ATOM 0 HA VAL A 78 5.890 -1.669 -2.474 1.00 0.00 H new ATOM 0 HB VAL A 78 7.095 -1.915 0.297 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.106 0.287 0.783 1.00 0.00 H new ATOM 0 HG12 VAL A 78 7.368 0.383 -0.467 1.00 0.00 H new ATOM 0 HG13 VAL A 78 5.651 0.453 -0.929 1.00 0.00 H new ATOM 0 HG21 VAL A 78 4.732 -1.734 1.023 1.00 0.00 H new ATOM 0 HG22 VAL A 78 4.224 -1.675 -0.681 1.00 0.00 H new ATOM 0 HG23 VAL A 78 4.995 -3.142 -0.033 1.00 0.00 H new ATOM 1250 N ASN A 79 9.134 -1.853 -1.993 1.00 0.00 N ATOM 1251 CA ASN A 79 10.418 -1.285 -2.392 1.00 0.00 C ATOM 1252 C ASN A 79 10.418 -0.991 -3.888 1.00 0.00 C ATOM 1253 O ASN A 79 10.766 0.111 -4.317 1.00 0.00 O ATOM 1254 CB ASN A 79 11.558 -2.246 -2.042 1.00 0.00 C ATOM 1255 CG ASN A 79 12.590 -1.609 -1.131 1.00 0.00 C ATOM 1256 OD1 ASN A 79 12.281 -1.202 -0.012 1.00 0.00 O ATOM 1257 ND2 ASN A 79 13.826 -1.521 -1.610 1.00 0.00 N ATOM 0 H ASN A 79 9.201 -2.740 -1.494 1.00 0.00 H new ATOM 0 HA ASN A 79 10.571 -0.352 -1.849 1.00 0.00 H new ATOM 0 HB2 ASN A 79 11.147 -3.132 -1.558 1.00 0.00 H new ATOM 0 HB3 ASN A 79 12.043 -2.580 -2.959 1.00 0.00 H new ATOM 0 HD21 ASN A 79 14.564 -1.103 -1.044 1.00 0.00 H new ATOM 0 HD22 ASN A 79 14.037 -1.872 -2.544 1.00 0.00 H new ATOM 1264 N TYR A 80 10.007 -1.979 -4.675 1.00 0.00 N ATOM 1265 CA TYR A 80 9.937 -1.823 -6.120 1.00 0.00 C ATOM 1266 C TYR A 80 8.893 -0.773 -6.478 1.00 0.00 C ATOM 1267 O TYR A 80 9.038 -0.042 -7.458 1.00 0.00 O ATOM 1268 CB TYR A 80 9.592 -3.158 -6.784 1.00 0.00 C ATOM 1269 CG TYR A 80 9.415 -3.070 -8.285 1.00 0.00 C ATOM 1270 CD1 TYR A 80 8.274 -2.500 -8.838 1.00 0.00 C ATOM 1271 CD2 TYR A 80 10.389 -3.557 -9.147 1.00 0.00 C ATOM 1272 CE1 TYR A 80 8.110 -2.419 -10.208 1.00 0.00 C ATOM 1273 CE2 TYR A 80 10.232 -3.480 -10.518 1.00 0.00 C ATOM 1274 CZ TYR A 80 9.091 -2.910 -11.044 1.00 0.00 C ATOM 1275 OH TYR A 80 8.931 -2.831 -12.408 1.00 0.00 O ATOM 0 H TYR A 80 9.718 -2.896 -4.335 1.00 0.00 H new ATOM 0 HA TYR A 80 10.910 -1.496 -6.486 1.00 0.00 H new ATOM 0 HB2 TYR A 80 10.381 -3.877 -6.563 1.00 0.00 H new ATOM 0 HB3 TYR A 80 8.674 -3.546 -6.342 1.00 0.00 H new ATOM 0 HD1 TYR A 80 7.504 -2.114 -8.187 1.00 0.00 H new ATOM 0 HD2 TYR A 80 11.284 -4.003 -8.739 1.00 0.00 H new ATOM 0 HE1 TYR A 80 7.218 -1.973 -10.622 1.00 0.00 H new ATOM 0 HE2 TYR A 80 10.999 -3.864 -11.174 1.00 0.00 H new ATOM 0 HH TYR A 80 9.713 -3.221 -12.852 1.00 0.00 H new ATOM 1285 N HIS A 81 7.844 -0.702 -5.665 1.00 0.00 N ATOM 1286 CA HIS A 81 6.775 0.262 -5.879 1.00 0.00 C ATOM 1287 C HIS A 81 7.296 1.682 -5.703 1.00 0.00 C ATOM 1288 O HIS A 81 6.817 2.614 -6.346 1.00 0.00 O ATOM 1289 CB HIS A 81 5.624 0.013 -4.901 1.00 0.00 C ATOM 1290 CG HIS A 81 4.498 -0.781 -5.483 1.00 0.00 C ATOM 1291 ND1 HIS A 81 4.140 -0.705 -6.808 1.00 0.00 N ATOM 1292 CD2 HIS A 81 3.658 -1.682 -4.919 1.00 0.00 C ATOM 1293 CE1 HIS A 81 3.134 -1.525 -7.040 1.00 0.00 C ATOM 1294 NE2 HIS A 81 2.820 -2.131 -5.913 1.00 0.00 N ATOM 0 H HIS A 81 7.713 -1.302 -4.851 1.00 0.00 H new ATOM 0 HA HIS A 81 6.408 0.141 -6.898 1.00 0.00 H new ATOM 0 HB2 HIS A 81 6.010 -0.509 -4.026 1.00 0.00 H new ATOM 0 HB3 HIS A 81 5.239 0.973 -4.556 1.00 0.00 H new ATOM 0 HD1 HIS A 81 4.584 -0.106 -7.504 1.00 0.00 H new ATOM 0 HD2 HIS A 81 3.648 -1.990 -3.884 1.00 0.00 H new ATOM 0 HE1 HIS A 81 2.649 -1.675 -7.993 1.00 0.00 H new ATOM 1303 N ARG A 82 8.280 1.842 -4.822 1.00 0.00 N ATOM 1304 CA ARG A 82 8.855 3.154 -4.569 1.00 0.00 C ATOM 1305 C ARG A 82 9.704 3.605 -5.737 1.00 0.00 C ATOM 1306 O ARG A 82 9.806 4.793 -6.032 1.00 0.00 O ATOM 1307 CB ARG A 82 9.672 3.150 -3.274 1.00 0.00 C ATOM 1308 CG ARG A 82 10.363 4.472 -2.980 1.00 0.00 C ATOM 1309 CD ARG A 82 10.982 4.480 -1.592 1.00 0.00 C ATOM 1310 NE ARG A 82 11.895 5.605 -1.406 1.00 0.00 N ATOM 1311 CZ ARG A 82 12.416 5.951 -0.231 1.00 0.00 C ATOM 1312 NH1 ARG A 82 12.116 5.263 0.865 1.00 0.00 N ATOM 1313 NH2 ARG A 82 13.240 6.987 -0.150 1.00 0.00 N ATOM 0 H ARG A 82 8.691 1.084 -4.277 1.00 0.00 H new ATOM 0 HA ARG A 82 8.036 3.864 -4.452 1.00 0.00 H new ATOM 0 HB2 ARG A 82 9.014 2.902 -2.441 1.00 0.00 H new ATOM 0 HB3 ARG A 82 10.424 2.363 -3.332 1.00 0.00 H new ATOM 0 HG2 ARG A 82 11.137 4.653 -3.726 1.00 0.00 H new ATOM 0 HG3 ARG A 82 9.643 5.286 -3.063 1.00 0.00 H new ATOM 0 HD2 ARG A 82 10.192 4.527 -0.843 1.00 0.00 H new ATOM 0 HD3 ARG A 82 11.520 3.546 -1.430 1.00 0.00 H new ATOM 0 HE ARG A 82 12.148 6.158 -2.225 1.00 0.00 H new ATOM 0 HH11 ARG A 82 11.483 4.465 0.809 1.00 0.00 H new ATOM 0 HH12 ARG A 82 12.518 5.533 1.763 1.00 0.00 H new ATOM 0 HH21 ARG A 82 13.475 7.519 -0.988 1.00 0.00 H new ATOM 0 HH22 ARG A 82 13.639 7.252 0.750 1.00 0.00 H new ATOM 1327 N ALA A 83 10.290 2.646 -6.415 1.00 0.00 N ATOM 1328 CA ALA A 83 11.103 2.942 -7.573 1.00 0.00 C ATOM 1329 C ALA A 83 10.190 3.240 -8.751 1.00 0.00 C ATOM 1330 O ALA A 83 10.124 4.366 -9.243 1.00 0.00 O ATOM 1331 CB ALA A 83 12.031 1.778 -7.890 1.00 0.00 C ATOM 0 H ALA A 83 10.220 1.655 -6.186 1.00 0.00 H new ATOM 0 HA ALA A 83 11.726 3.813 -7.368 1.00 0.00 H new ATOM 0 HB1 ALA A 83 12.634 2.021 -8.765 1.00 0.00 H new ATOM 0 HB2 ALA A 83 12.685 1.592 -7.038 1.00 0.00 H new ATOM 0 HB3 ALA A 83 11.439 0.886 -8.094 1.00 0.00 H new ATOM 1337 N GLN A 84 9.473 2.210 -9.177 1.00 0.00 N ATOM 1338 CA GLN A 84 8.528 2.319 -10.283 1.00 0.00 C ATOM 1339 C GLN A 84 7.097 2.500 -9.779 1.00 0.00 C ATOM 1340 O GLN A 84 6.732 1.980 -8.726 1.00 0.00 O ATOM 1341 CB GLN A 84 8.611 1.080 -11.176 1.00 0.00 C ATOM 1342 CG GLN A 84 9.963 0.906 -11.851 1.00 0.00 C ATOM 1343 CD GLN A 84 10.255 1.999 -12.861 1.00 0.00 C ATOM 1344 OE1 GLN A 84 9.962 1.857 -14.048 1.00 0.00 O ATOM 1345 NE2 GLN A 84 10.839 3.096 -12.393 1.00 0.00 N ATOM 0 H GLN A 84 9.528 1.277 -8.768 1.00 0.00 H new ATOM 0 HA GLN A 84 8.798 3.201 -10.863 1.00 0.00 H new ATOM 0 HB2 GLN A 84 8.397 0.195 -10.576 1.00 0.00 H new ATOM 0 HB3 GLN A 84 7.837 1.141 -11.941 1.00 0.00 H new ATOM 0 HG2 GLN A 84 10.746 0.899 -11.092 1.00 0.00 H new ATOM 0 HG3 GLN A 84 9.994 -0.063 -12.350 1.00 0.00 H new ATOM 0 HE21 GLN A 84 11.064 3.170 -11.401 1.00 0.00 H new ATOM 0 HE22 GLN A 84 11.063 3.864 -13.026 1.00 0.00 H new ATOM 1354 N SER A 85 6.279 3.203 -10.557 1.00 0.00 N ATOM 1355 CA SER A 85 4.876 3.408 -10.206 1.00 0.00 C ATOM 1356 C SER A 85 4.001 2.364 -10.905 1.00 0.00 C ATOM 1357 O SER A 85 2.790 2.542 -11.038 1.00 0.00 O ATOM 1358 CB SER A 85 4.424 4.816 -10.599 1.00 0.00 C ATOM 1359 OG SER A 85 5.338 5.416 -11.502 1.00 0.00 O ATOM 0 H SER A 85 6.562 3.640 -11.434 1.00 0.00 H new ATOM 0 HA SER A 85 4.770 3.297 -9.127 1.00 0.00 H new ATOM 0 HB2 SER A 85 3.436 4.769 -11.056 1.00 0.00 H new ATOM 0 HB3 SER A 85 4.333 5.434 -9.706 1.00 0.00 H new ATOM 0 HG SER A 85 5.024 6.314 -11.737 1.00 0.00 H new ATOM 1365 N LEU A 86 4.630 1.277 -11.361 1.00 0.00 N ATOM 1366 CA LEU A 86 3.926 0.202 -12.062 1.00 0.00 C ATOM 1367 C LEU A 86 2.639 -0.190 -11.345 1.00 0.00 C ATOM 1368 O LEU A 86 2.658 -0.575 -10.176 1.00 0.00 O ATOM 1369 CB LEU A 86 4.834 -1.022 -12.197 1.00 0.00 C ATOM 1370 CG LEU A 86 4.534 -1.922 -13.396 1.00 0.00 C ATOM 1371 CD1 LEU A 86 5.730 -2.807 -13.712 1.00 0.00 C ATOM 1372 CD2 LEU A 86 3.297 -2.769 -13.131 1.00 0.00 C ATOM 0 H LEU A 86 5.632 1.119 -11.256 1.00 0.00 H new ATOM 0 HA LEU A 86 3.661 0.573 -13.052 1.00 0.00 H new ATOM 0 HB2 LEU A 86 5.867 -0.683 -12.267 1.00 0.00 H new ATOM 0 HB3 LEU A 86 4.754 -1.617 -11.287 1.00 0.00 H new ATOM 0 HG LEU A 86 4.338 -1.289 -14.261 1.00 0.00 H new ATOM 0 HD11 LEU A 86 5.498 -3.440 -14.568 1.00 0.00 H new ATOM 0 HD12 LEU A 86 6.593 -2.183 -13.946 1.00 0.00 H new ATOM 0 HD13 LEU A 86 5.958 -3.433 -12.849 1.00 0.00 H new ATOM 0 HD21 LEU A 86 3.098 -3.403 -13.995 1.00 0.00 H new ATOM 0 HD22 LEU A 86 3.465 -3.393 -12.253 1.00 0.00 H new ATOM 0 HD23 LEU A 86 2.441 -2.118 -12.955 1.00 0.00 H new ATOM 1384 N SER A 87 1.520 -0.094 -12.061 1.00 0.00 N ATOM 1385 CA SER A 87 0.215 -0.440 -11.505 1.00 0.00 C ATOM 1386 C SER A 87 0.036 0.152 -10.111 1.00 0.00 C ATOM 1387 O SER A 87 -0.682 -0.401 -9.277 1.00 0.00 O ATOM 1388 CB SER A 87 0.048 -1.959 -11.451 1.00 0.00 C ATOM 1389 OG SER A 87 -1.318 -2.320 -11.338 1.00 0.00 O ATOM 0 H SER A 87 1.492 0.222 -13.031 1.00 0.00 H new ATOM 0 HA SER A 87 -0.550 -0.018 -12.157 1.00 0.00 H new ATOM 0 HB2 SER A 87 0.472 -2.406 -12.350 1.00 0.00 H new ATOM 0 HB3 SER A 87 0.604 -2.359 -10.603 1.00 0.00 H new ATOM 0 HG SER A 87 -1.715 -1.860 -10.569 1.00 0.00 H new ATOM 1395 N HIS A 88 0.696 1.278 -9.863 1.00 0.00 N ATOM 1396 CA HIS A 88 0.611 1.940 -8.571 1.00 0.00 C ATOM 1397 C HIS A 88 0.664 3.456 -8.744 1.00 0.00 C ATOM 1398 O HIS A 88 1.700 4.016 -9.101 1.00 0.00 O ATOM 1399 CB HIS A 88 1.739 1.454 -7.658 1.00 0.00 C ATOM 1400 CG HIS A 88 1.532 1.785 -6.216 1.00 0.00 C ATOM 1401 ND1 HIS A 88 1.499 0.829 -5.223 1.00 0.00 N ATOM 1402 CD2 HIS A 88 1.351 2.973 -5.598 1.00 0.00 C ATOM 1403 CE1 HIS A 88 1.303 1.416 -4.058 1.00 0.00 C ATOM 1404 NE2 HIS A 88 1.213 2.717 -4.258 1.00 0.00 N ATOM 0 H HIS A 88 1.295 1.749 -10.541 1.00 0.00 H new ATOM 0 HA HIS A 88 -0.342 1.687 -8.106 1.00 0.00 H new ATOM 0 HB2 HIS A 88 1.839 0.374 -7.763 1.00 0.00 H new ATOM 0 HB3 HIS A 88 2.679 1.894 -7.991 1.00 0.00 H new ATOM 0 HD1 HIS A 88 1.609 -0.175 -5.367 1.00 0.00 H new ATOM 0 HD2 HIS A 88 1.321 3.943 -6.071 1.00 0.00 H new ATOM 0 HE1 HIS A 88 1.229 0.917 -3.103 1.00 0.00 H new ATOM 1413 N GLY A 89 -0.479 4.099 -8.501 1.00 0.00 N ATOM 1414 CA GLY A 89 -0.610 5.547 -8.636 1.00 0.00 C ATOM 1415 C GLY A 89 0.694 6.318 -8.531 1.00 0.00 C ATOM 1416 O GLY A 89 1.078 7.028 -9.461 1.00 0.00 O ATOM 0 H GLY A 89 -1.336 3.631 -8.206 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -1.069 5.768 -9.600 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -1.293 5.909 -7.867 1.00 0.00 H new ATOM 1420 N LEU A 90 1.369 6.191 -7.396 1.00 0.00 N ATOM 1421 CA LEU A 90 2.623 6.894 -7.173 1.00 0.00 C ATOM 1422 C LEU A 90 3.648 5.986 -6.509 1.00 0.00 C ATOM 1423 O LEU A 90 3.320 4.899 -6.034 1.00 0.00 O ATOM 1424 CB LEU A 90 2.386 8.132 -6.306 1.00 0.00 C ATOM 1425 CG LEU A 90 3.338 9.306 -6.563 1.00 0.00 C ATOM 1426 CD1 LEU A 90 2.595 10.467 -7.205 1.00 0.00 C ATOM 1427 CD2 LEU A 90 4.003 9.748 -5.268 1.00 0.00 C ATOM 0 H LEU A 90 1.068 5.607 -6.616 1.00 0.00 H new ATOM 0 HA LEU A 90 3.015 7.203 -8.142 1.00 0.00 H new ATOM 0 HB2 LEU A 90 1.363 8.474 -6.463 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.468 7.842 -5.258 1.00 0.00 H new ATOM 0 HG LEU A 90 4.114 8.973 -7.252 1.00 0.00 H new ATOM 0 HD11 LEU A 90 3.288 11.290 -7.379 1.00 0.00 H new ATOM 0 HD12 LEU A 90 2.168 10.145 -8.155 1.00 0.00 H new ATOM 0 HD13 LEU A 90 1.796 10.799 -6.542 1.00 0.00 H new ATOM 0 HD21 LEU A 90 4.675 10.582 -5.470 1.00 0.00 H new ATOM 0 HD22 LEU A 90 3.240 10.061 -4.556 1.00 0.00 H new ATOM 0 HD23 LEU A 90 4.571 8.918 -4.849 1.00 0.00 H new ATOM 1439 N ARG A 91 4.891 6.442 -6.482 1.00 0.00 N ATOM 1440 CA ARG A 91 5.976 5.681 -5.881 1.00 0.00 C ATOM 1441 C ARG A 91 5.917 5.738 -4.356 1.00 0.00 C ATOM 1442 O ARG A 91 5.971 6.816 -3.765 1.00 0.00 O ATOM 1443 CB ARG A 91 7.320 6.226 -6.364 1.00 0.00 C ATOM 1444 CG ARG A 91 7.657 5.846 -7.796 1.00 0.00 C ATOM 1445 CD ARG A 91 8.722 6.764 -8.377 1.00 0.00 C ATOM 1446 NE ARG A 91 8.188 8.085 -8.705 1.00 0.00 N ATOM 1447 CZ ARG A 91 7.635 8.395 -9.876 1.00 0.00 C ATOM 1448 NH1 ARG A 91 7.525 7.479 -10.832 1.00 0.00 N ATOM 1449 NH2 ARG A 91 7.186 9.624 -10.092 1.00 0.00 N ATOM 0 H ARG A 91 5.175 7.341 -6.872 1.00 0.00 H new ATOM 0 HA ARG A 91 5.868 4.640 -6.187 1.00 0.00 H new ATOM 0 HB2 ARG A 91 7.313 7.313 -6.278 1.00 0.00 H new ATOM 0 HB3 ARG A 91 8.108 5.860 -5.706 1.00 0.00 H new ATOM 0 HG2 ARG A 91 8.007 4.814 -7.828 1.00 0.00 H new ATOM 0 HG3 ARG A 91 6.757 5.896 -8.409 1.00 0.00 H new ATOM 0 HD2 ARG A 91 9.538 6.870 -7.662 1.00 0.00 H new ATOM 0 HD3 ARG A 91 9.142 6.310 -9.275 1.00 0.00 H new ATOM 0 HE ARG A 91 8.242 8.814 -7.993 1.00 0.00 H new ATOM 0 HH11 ARG A 91 7.865 6.531 -10.671 1.00 0.00 H new ATOM 0 HH12 ARG A 91 7.100 7.724 -11.726 1.00 0.00 H new ATOM 0 HH21 ARG A 91 7.264 10.331 -9.361 1.00 0.00 H new ATOM 0 HH22 ARG A 91 6.762 9.862 -10.989 1.00 0.00 H new ATOM 1463 N LEU A 92 5.825 4.568 -3.723 1.00 0.00 N ATOM 1464 CA LEU A 92 5.782 4.482 -2.263 1.00 0.00 C ATOM 1465 C LEU A 92 6.952 5.260 -1.655 1.00 0.00 C ATOM 1466 O LEU A 92 8.060 4.738 -1.528 1.00 0.00 O ATOM 1467 CB LEU A 92 5.809 3.013 -1.830 1.00 0.00 C ATOM 1468 CG LEU A 92 4.432 2.325 -1.706 1.00 0.00 C ATOM 1469 CD1 LEU A 92 3.317 3.144 -2.349 1.00 0.00 C ATOM 1470 CD2 LEU A 92 4.470 0.930 -2.302 1.00 0.00 C ATOM 0 H LEU A 92 5.779 3.667 -4.198 1.00 0.00 H new ATOM 0 HA LEU A 92 4.857 4.929 -1.900 1.00 0.00 H new ATOM 0 HB2 LEU A 92 6.411 2.453 -2.546 1.00 0.00 H new ATOM 0 HB3 LEU A 92 6.316 2.947 -0.867 1.00 0.00 H new ATOM 0 HG LEU A 92 4.211 2.250 -0.641 1.00 0.00 H new ATOM 0 HD11 LEU A 92 2.368 2.619 -2.236 1.00 0.00 H new ATOM 0 HD12 LEU A 92 3.253 4.117 -1.862 1.00 0.00 H new ATOM 0 HD13 LEU A 92 3.531 3.282 -3.409 1.00 0.00 H new ATOM 0 HD21 LEU A 92 3.489 0.465 -2.203 1.00 0.00 H new ATOM 0 HD22 LEU A 92 4.737 0.992 -3.357 1.00 0.00 H new ATOM 0 HD23 LEU A 92 5.211 0.329 -1.775 1.00 0.00 H new ATOM 1482 N ALA A 93 6.700 6.527 -1.318 1.00 0.00 N ATOM 1483 CA ALA A 93 7.733 7.407 -0.766 1.00 0.00 C ATOM 1484 C ALA A 93 7.874 7.280 0.749 1.00 0.00 C ATOM 1485 O ALA A 93 8.804 6.639 1.239 1.00 0.00 O ATOM 1486 CB ALA A 93 7.440 8.851 -1.143 1.00 0.00 C ATOM 0 H ALA A 93 5.786 6.968 -1.418 1.00 0.00 H new ATOM 0 HA ALA A 93 8.683 7.094 -1.199 1.00 0.00 H new ATOM 0 HB1 ALA A 93 8.212 9.499 -0.729 1.00 0.00 H new ATOM 0 HB2 ALA A 93 7.428 8.948 -2.229 1.00 0.00 H new ATOM 0 HB3 ALA A 93 6.469 9.142 -0.742 1.00 0.00 H new ATOM 1492 N ALA A 94 6.957 7.902 1.492 1.00 0.00 N ATOM 1493 CA ALA A 94 7.003 7.858 2.953 1.00 0.00 C ATOM 1494 C ALA A 94 5.861 7.019 3.520 1.00 0.00 C ATOM 1495 O ALA A 94 4.915 6.693 2.814 1.00 0.00 O ATOM 1496 CB ALA A 94 6.957 9.269 3.522 1.00 0.00 C ATOM 0 H ALA A 94 6.179 8.439 1.109 1.00 0.00 H new ATOM 0 HA ALA A 94 7.941 7.386 3.247 1.00 0.00 H new ATOM 0 HB1 ALA A 94 6.992 9.224 4.611 1.00 0.00 H new ATOM 0 HB2 ALA A 94 7.812 9.837 3.155 1.00 0.00 H new ATOM 0 HB3 ALA A 94 6.035 9.758 3.209 1.00 0.00 H new ATOM 1502 N PRO A 95 5.936 6.657 4.811 1.00 0.00 N ATOM 1503 CA PRO A 95 4.901 5.852 5.466 1.00 0.00 C ATOM 1504 C PRO A 95 3.639 6.653 5.762 1.00 0.00 C ATOM 1505 O PRO A 95 3.681 7.878 5.872 1.00 0.00 O ATOM 1506 CB PRO A 95 5.568 5.424 6.770 1.00 0.00 C ATOM 1507 CG PRO A 95 6.534 6.517 7.069 1.00 0.00 C ATOM 1508 CD PRO A 95 7.035 7.003 5.735 1.00 0.00 C ATOM 0 HA PRO A 95 4.572 5.024 4.838 1.00 0.00 H new ATOM 0 HB2 PRO A 95 4.838 5.309 7.571 1.00 0.00 H new ATOM 0 HB3 PRO A 95 6.075 4.465 6.661 1.00 0.00 H new ATOM 0 HG2 PRO A 95 6.052 7.323 7.622 1.00 0.00 H new ATOM 0 HG3 PRO A 95 7.356 6.154 7.686 1.00 0.00 H new ATOM 0 HD2 PRO A 95 7.229 8.076 5.745 1.00 0.00 H new ATOM 0 HD3 PRO A 95 7.967 6.513 5.453 1.00 0.00 H new ATOM 1516 N CYS A 96 2.520 5.951 5.896 1.00 0.00 N ATOM 1517 CA CYS A 96 1.249 6.597 6.188 1.00 0.00 C ATOM 1518 C CYS A 96 1.257 7.182 7.596 1.00 0.00 C ATOM 1519 O CYS A 96 1.544 6.483 8.567 1.00 0.00 O ATOM 1520 CB CYS A 96 0.100 5.600 6.045 1.00 0.00 C ATOM 1521 SG CYS A 96 -1.418 6.318 5.380 1.00 0.00 S ATOM 0 H CYS A 96 2.468 4.936 5.807 1.00 0.00 H new ATOM 0 HA CYS A 96 1.105 7.407 5.473 1.00 0.00 H new ATOM 0 HB2 CYS A 96 0.419 4.785 5.396 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -0.113 5.165 7.021 1.00 0.00 H new ATOM 0 HG CYS A 96 -1.536 7.544 5.795 1.00 0.00 H new ATOM 1527 N ARG A 97 0.947 8.468 7.698 1.00 0.00 N ATOM 1528 CA ARG A 97 0.925 9.144 8.989 1.00 0.00 C ATOM 1529 C ARG A 97 -0.456 9.050 9.632 1.00 0.00 C ATOM 1530 O ARG A 97 -1.471 9.319 8.990 1.00 0.00 O ATOM 1531 CB ARG A 97 1.332 10.611 8.826 1.00 0.00 C ATOM 1532 CG ARG A 97 2.718 10.920 9.367 1.00 0.00 C ATOM 1533 CD ARG A 97 3.765 10.896 8.266 1.00 0.00 C ATOM 1534 NE ARG A 97 5.122 10.987 8.799 1.00 0.00 N ATOM 1535 CZ ARG A 97 6.212 10.657 8.110 1.00 0.00 C ATOM 1536 NH1 ARG A 97 6.110 10.216 6.862 1.00 0.00 N ATOM 1537 NH2 ARG A 97 7.409 10.769 8.671 1.00 0.00 N ATOM 0 H ARG A 97 0.708 9.063 6.905 1.00 0.00 H new ATOM 0 HA ARG A 97 1.641 8.648 9.644 1.00 0.00 H new ATOM 0 HB2 ARG A 97 1.296 10.874 7.769 1.00 0.00 H new ATOM 0 HB3 ARG A 97 0.603 11.241 9.336 1.00 0.00 H new ATOM 0 HG2 ARG A 97 2.713 11.900 9.844 1.00 0.00 H new ATOM 0 HG3 ARG A 97 2.980 10.193 10.135 1.00 0.00 H new ATOM 0 HD2 ARG A 97 3.663 9.977 7.689 1.00 0.00 H new ATOM 0 HD3 ARG A 97 3.589 11.724 7.580 1.00 0.00 H new ATOM 0 HE ARG A 97 5.241 11.323 9.755 1.00 0.00 H new ATOM 0 HH11 ARG A 97 5.192 10.128 6.425 1.00 0.00 H new ATOM 0 HH12 ARG A 97 6.949 9.965 6.340 1.00 0.00 H new ATOM 0 HH21 ARG A 97 7.493 11.108 9.629 1.00 0.00 H new ATOM 0 HH22 ARG A 97 8.245 10.516 8.144 1.00 0.00 H new ATOM 1551 N LYS A 98 -0.484 8.663 10.903 1.00 0.00 N ATOM 1552 CA LYS A 98 -1.738 8.532 11.637 1.00 0.00 C ATOM 1553 C LYS A 98 -1.683 9.310 12.947 1.00 0.00 C ATOM 1554 O LYS A 98 -0.744 9.165 13.729 1.00 0.00 O ATOM 1555 CB LYS A 98 -2.035 7.058 11.918 1.00 0.00 C ATOM 1556 CG LYS A 98 -3.481 6.792 12.307 1.00 0.00 C ATOM 1557 CD LYS A 98 -3.926 5.403 11.880 1.00 0.00 C ATOM 1558 CE LYS A 98 -4.950 4.825 12.844 1.00 0.00 C ATOM 1559 NZ LYS A 98 -5.200 3.379 12.589 1.00 0.00 N ATOM 0 H LYS A 98 0.348 8.434 11.447 1.00 0.00 H new ATOM 0 HA LYS A 98 -2.537 8.946 11.022 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -1.792 6.472 11.032 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -1.382 6.711 12.719 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -3.594 6.896 13.386 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -4.126 7.540 11.846 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -4.353 5.449 10.878 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -3.060 4.743 11.828 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -4.600 4.958 13.868 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -5.886 5.377 12.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -5.987 3.052 13.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -5.444 3.240 11.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -4.344 2.833 12.815 1.00 0.00 H new ATOM 1573 N HIS A 99 -2.697 10.137 13.180 1.00 0.00 N ATOM 1574 CA HIS A 99 -2.764 10.938 14.396 1.00 0.00 C ATOM 1575 C HIS A 99 -4.208 11.295 14.734 1.00 0.00 C ATOM 1576 O HIS A 99 -4.499 12.412 15.163 1.00 0.00 O ATOM 1577 CB HIS A 99 -1.934 12.214 14.237 1.00 0.00 C ATOM 1578 CG HIS A 99 -1.719 12.954 15.521 1.00 0.00 C ATOM 1579 ND1 HIS A 99 -0.806 12.557 16.475 1.00 0.00 N ATOM 1580 CD2 HIS A 99 -2.305 14.074 16.007 1.00 0.00 C ATOM 1581 CE1 HIS A 99 -0.840 13.400 17.492 1.00 0.00 C ATOM 1582 NE2 HIS A 99 -1.740 14.330 17.232 1.00 0.00 N ATOM 0 H HIS A 99 -3.483 10.270 12.543 1.00 0.00 H new ATOM 0 HA HIS A 99 -2.355 10.346 15.215 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -0.965 11.956 13.810 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -2.431 12.874 13.526 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -3.074 14.657 15.522 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -0.234 13.339 18.384 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -1.977 15.112 17.842 1.00 0.00 H new ATOM 1591 N GLU A 100 -5.110 10.339 14.537 1.00 0.00 N ATOM 1592 CA GLU A 100 -6.524 10.552 14.821 1.00 0.00 C ATOM 1593 C GLU A 100 -7.232 9.227 15.086 1.00 0.00 C ATOM 1594 O GLU A 100 -6.851 8.217 14.459 1.00 0.00 O ATOM 1595 CB GLU A 100 -7.196 11.280 13.654 1.00 0.00 C ATOM 1596 CG GLU A 100 -8.047 12.464 14.084 1.00 0.00 C ATOM 1597 CD GLU A 100 -8.917 12.994 12.961 1.00 0.00 C ATOM 1598 OE1 GLU A 100 -8.545 12.806 11.783 1.00 0.00 O ATOM 1599 OE2 GLU A 100 -9.970 13.597 13.259 1.00 0.00 O ATOM 1600 OXT GLU A 100 -8.163 9.211 15.919 1.00 0.00 O ATOM 0 H GLU A 100 -4.887 9.409 14.182 1.00 0.00 H new ATOM 0 HA GLU A 100 -6.600 11.168 15.717 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -6.428 11.627 12.963 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -7.821 10.574 13.108 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -8.680 12.167 14.920 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -7.398 13.262 14.443 1.00 0.00 H new TER 1607 GLU A 100