USER MOD reduce.3.24.130724 H: found=0, std=0, add=537, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 534 hydrogens (3 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 67 HIS : no HD1:sc= -2.38 K(o=-1.5,f=0.42) USER MOD Set 1.2: A 69 THR OG1 : rot -8:sc= 0.898 USER MOD Set 2.1: A 20 MET CE :methyl -166:sc= -3.02 (180deg=-1.63) USER MOD Set 2.2: A 24 THR OG1 : rot 57:sc= -0.553 USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 165:sc= -1.05 (180deg=-1.61) USER MOD Single : A 8 ASN : amide:sc= -0.0964 K(o=-0.096,f=-0.87) USER MOD Single : A 16 LYS NZ :NH3+ -176:sc= -0.134 (180deg=-0.158) USER MOD Single : A 17 SER OG : rot 180:sc= -0.479 USER MOD Single : A 19 ASN : amide:sc= -0.186 K(o=-0.19,f=-1.1!) USER MOD Single : A 29 ASN : amide:sc= -8.42! C(o=-8.4!,f=-20!) USER MOD Single : A 31 ASN : amide:sc= -1.49 K(o=-1.5,f=-2.1) USER MOD Single : A 33 HIS : no HD1:sc= -2.5! K(o=-2.5!,f=-0.85) USER MOD Single : A 38 LYS NZ :NH3+ 158:sc= -0.0508 (180deg=-0.425) USER MOD Single : A 41 SER OG : rot 170:sc= -0.129 USER MOD Single : A 43 MET CE :methyl 153:sc= -3.67! (180deg=-5.41!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0773 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -0.985 K(o=-0.98,f=-15!) USER MOD Single : A 59 HIS : no HD1:sc= -0.118 X(o=-0.12,f=-0.33) USER MOD Single : A 63 THR OG1 : rot 134:sc= 0.289 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 0 11.979 9.750 -12.659 1.00 0.00 C HETATM 2 O ACE A 0 12.535 8.755 -13.127 1.00 0.00 O HETATM 3 CH3 ACE A 0 11.615 10.921 -13.544 1.00 0.00 C HETATM 0 H1 ACE A 0 10.537 11.081 -13.511 1.00 0.00 H new HETATM 0 H2 ACE A 0 12.125 11.817 -13.190 1.00 0.00 H new HETATM 0 H3 ACE A 0 11.920 10.711 -14.569 1.00 0.00 H new ATOM 7 N SER A 1 11.655 9.897 -11.376 1.00 0.00 N ATOM 8 CA SER A 1 11.931 8.862 -10.335 1.00 0.00 C ATOM 9 C SER A 1 11.147 7.519 -10.538 1.00 0.00 C ATOM 10 O SER A 1 9.918 7.501 -10.653 1.00 0.00 O ATOM 11 CB SER A 1 11.640 9.495 -8.956 1.00 0.00 C ATOM 12 OG SER A 1 12.089 8.633 -7.908 1.00 0.00 O ATOM 0 H SER A 1 11.193 10.730 -11.011 1.00 0.00 H new ATOM 0 HA SER A 1 12.977 8.567 -10.414 1.00 0.00 H new ATOM 0 HB2 SER A 1 12.139 10.461 -8.880 1.00 0.00 H new ATOM 0 HB3 SER A 1 10.571 9.679 -8.851 1.00 0.00 H new ATOM 0 HG SER A 1 11.900 9.047 -7.040 1.00 0.00 H new ATOM 18 N ARG A 2 11.875 6.393 -10.662 1.00 0.00 N ATOM 19 CA ARG A 2 11.332 5.150 -11.198 1.00 0.00 C ATOM 20 C ARG A 2 12.164 3.956 -10.741 1.00 0.00 C ATOM 21 O ARG A 2 12.941 3.393 -11.512 1.00 0.00 O ATOM 22 CB ARG A 2 11.283 5.207 -12.729 1.00 0.00 C ATOM 23 CG ARG A 2 9.882 5.046 -13.298 1.00 0.00 C ATOM 24 CD ARG A 2 9.911 4.844 -14.805 1.00 0.00 C ATOM 25 NE ARG A 2 9.955 6.116 -15.526 1.00 0.00 N ATOM 26 CZ ARG A 2 11.060 6.640 -16.055 1.00 0.00 C ATOM 27 NH1 ARG A 2 12.227 6.015 -15.943 1.00 0.00 N ATOM 28 NH2 ARG A 2 10.998 7.798 -16.698 1.00 0.00 N ATOM 0 H ARG A 2 12.856 6.329 -10.390 1.00 0.00 H new ATOM 0 HA ARG A 2 10.318 5.028 -10.818 1.00 0.00 H new ATOM 0 HB2 ARG A 2 11.695 6.160 -13.062 1.00 0.00 H new ATOM 0 HB3 ARG A 2 11.923 4.424 -13.134 1.00 0.00 H new ATOM 0 HG2 ARG A 2 9.392 4.195 -12.825 1.00 0.00 H new ATOM 0 HG3 ARG A 2 9.288 5.928 -13.060 1.00 0.00 H new ATOM 0 HD2 ARG A 2 10.780 4.244 -15.074 1.00 0.00 H new ATOM 0 HD3 ARG A 2 9.029 4.283 -15.113 1.00 0.00 H new ATOM 0 HE ARG A 2 9.083 6.635 -15.631 1.00 0.00 H new ATOM 0 HH11 ARG A 2 12.283 5.125 -15.448 1.00 0.00 H new ATOM 0 HH12 ARG A 2 13.067 6.425 -16.352 1.00 0.00 H new ATOM 0 HH21 ARG A 2 10.106 8.285 -16.787 1.00 0.00 H new ATOM 0 HH22 ARG A 2 11.842 8.202 -17.104 1.00 0.00 H new ATOM 42 N ARG A 3 11.996 3.574 -9.478 1.00 0.00 N ATOM 43 CA ARG A 3 12.730 2.446 -8.917 1.00 0.00 C ATOM 44 C ARG A 3 12.254 2.135 -7.503 1.00 0.00 C ATOM 45 O ARG A 3 12.720 2.732 -6.533 1.00 0.00 O ATOM 46 CB ARG A 3 14.233 2.737 -8.912 1.00 0.00 C ATOM 47 CG ARG A 3 15.046 1.748 -9.731 1.00 0.00 C ATOM 48 CD ARG A 3 16.197 2.432 -10.449 1.00 0.00 C ATOM 49 NE ARG A 3 17.492 1.880 -10.057 1.00 0.00 N ATOM 50 CZ ARG A 3 18.637 2.556 -10.111 1.00 0.00 C ATOM 51 NH1 ARG A 3 18.658 3.810 -10.545 1.00 0.00 N ATOM 52 NH2 ARG A 3 19.766 1.975 -9.729 1.00 0.00 N ATOM 0 H ARG A 3 11.358 4.029 -8.825 1.00 0.00 H new ATOM 0 HA ARG A 3 12.540 1.575 -9.544 1.00 0.00 H new ATOM 0 HB2 ARG A 3 14.401 3.742 -9.299 1.00 0.00 H new ATOM 0 HB3 ARG A 3 14.593 2.727 -7.883 1.00 0.00 H new ATOM 0 HG2 ARG A 3 15.436 0.967 -9.078 1.00 0.00 H new ATOM 0 HG3 ARG A 3 14.399 1.260 -10.460 1.00 0.00 H new ATOM 0 HD2 ARG A 3 16.068 2.324 -11.526 1.00 0.00 H new ATOM 0 HD3 ARG A 3 16.177 3.500 -10.231 1.00 0.00 H new ATOM 0 HE ARG A 3 17.520 0.917 -9.721 1.00 0.00 H new ATOM 0 HH11 ARG A 3 17.793 4.262 -10.840 1.00 0.00 H new ATOM 0 HH12 ARG A 3 19.540 4.322 -10.583 1.00 0.00 H new ATOM 0 HH21 ARG A 3 19.756 1.011 -9.394 1.00 0.00 H new ATOM 0 HH22 ARG A 3 20.645 2.492 -9.770 1.00 0.00 H new ATOM 66 N CYS A 4 11.325 1.194 -7.393 1.00 0.00 N ATOM 67 CA CYS A 4 10.788 0.805 -6.098 1.00 0.00 C ATOM 68 C CYS A 4 10.629 -0.703 -6.009 1.00 0.00 C ATOM 69 O CYS A 4 10.343 -1.368 -7.004 1.00 0.00 O ATOM 70 CB CYS A 4 9.448 1.498 -5.849 1.00 0.00 C ATOM 71 SG CYS A 4 9.584 3.298 -5.592 1.00 0.00 S ATOM 0 H CYS A 4 10.929 0.687 -8.185 1.00 0.00 H new ATOM 0 HA CYS A 4 11.493 1.118 -5.328 1.00 0.00 H new ATOM 0 HB2 CYS A 4 8.790 1.311 -6.698 1.00 0.00 H new ATOM 0 HB3 CYS A 4 8.976 1.051 -4.974 1.00 0.00 H new ATOM 76 N PRO A 5 10.825 -1.268 -4.808 1.00 0.00 N ATOM 77 CA PRO A 5 10.711 -2.705 -4.599 1.00 0.00 C ATOM 78 C PRO A 5 9.379 -3.253 -5.098 1.00 0.00 C ATOM 79 O PRO A 5 8.393 -2.521 -5.191 1.00 0.00 O ATOM 80 CB PRO A 5 10.823 -2.867 -3.083 1.00 0.00 C ATOM 81 CG PRO A 5 11.570 -1.663 -2.628 1.00 0.00 C ATOM 82 CD PRO A 5 11.181 -0.554 -3.566 1.00 0.00 C ATOM 0 HA PRO A 5 11.474 -3.255 -5.149 1.00 0.00 H new ATOM 0 HB2 PRO A 5 9.839 -2.922 -2.617 1.00 0.00 H new ATOM 0 HB3 PRO A 5 11.352 -3.783 -2.821 1.00 0.00 H new ATOM 0 HG2 PRO A 5 11.314 -1.411 -1.599 1.00 0.00 H new ATOM 0 HG3 PRO A 5 12.646 -1.838 -2.655 1.00 0.00 H new ATOM 0 HD2 PRO A 5 10.341 0.024 -3.179 1.00 0.00 H new ATOM 0 HD3 PRO A 5 12.002 0.145 -3.725 1.00 0.00 H new ATOM 89 N GLY A 6 9.355 -4.541 -5.417 1.00 0.00 N ATOM 90 CA GLY A 6 8.133 -5.156 -5.899 1.00 0.00 C ATOM 91 C GLY A 6 7.743 -4.671 -7.279 1.00 0.00 C ATOM 92 O GLY A 6 8.524 -4.006 -7.959 1.00 0.00 O ATOM 0 H GLY A 6 10.156 -5.169 -5.351 1.00 0.00 H new ATOM 0 HA2 GLY A 6 8.259 -6.238 -5.920 1.00 0.00 H new ATOM 0 HA3 GLY A 6 7.323 -4.943 -5.201 1.00 0.00 H new ATOM 96 N LYS A 7 6.530 -5.010 -7.683 1.00 0.00 N ATOM 97 CA LYS A 7 6.007 -4.626 -8.986 1.00 0.00 C ATOM 98 C LYS A 7 5.320 -3.258 -8.914 1.00 0.00 C ATOM 99 O LYS A 7 4.884 -2.832 -7.844 1.00 0.00 O ATOM 100 CB LYS A 7 5.054 -5.715 -9.460 1.00 0.00 C ATOM 101 CG LYS A 7 4.623 -5.561 -10.898 1.00 0.00 C ATOM 102 CD LYS A 7 4.011 -6.845 -11.430 1.00 0.00 C ATOM 103 CE LYS A 7 5.065 -7.746 -12.054 1.00 0.00 C ATOM 104 NZ LYS A 7 6.022 -8.274 -11.040 1.00 0.00 N ATOM 0 H LYS A 7 5.880 -5.558 -7.119 1.00 0.00 H new ATOM 0 HA LYS A 7 6.821 -4.528 -9.704 1.00 0.00 H new ATOM 0 HB2 LYS A 7 5.535 -6.685 -9.336 1.00 0.00 H new ATOM 0 HB3 LYS A 7 4.170 -5.714 -8.823 1.00 0.00 H new ATOM 0 HG2 LYS A 7 3.899 -4.750 -10.978 1.00 0.00 H new ATOM 0 HG3 LYS A 7 5.482 -5.284 -11.510 1.00 0.00 H new ATOM 0 HD2 LYS A 7 3.511 -7.375 -10.619 1.00 0.00 H new ATOM 0 HD3 LYS A 7 3.249 -6.606 -12.172 1.00 0.00 H new ATOM 0 HE2 LYS A 7 4.576 -8.579 -12.559 1.00 0.00 H new ATOM 0 HE3 LYS A 7 5.613 -7.190 -12.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 6.557 -9.068 -11.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 6.681 -7.520 -10.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 5.497 -8.603 -10.205 1.00 0.00 H new ATOM 118 N ASN A 8 5.258 -2.555 -10.050 1.00 0.00 N ATOM 119 CA ASN A 8 4.657 -1.215 -10.091 1.00 0.00 C ATOM 120 C ASN A 8 3.385 -1.160 -10.942 1.00 0.00 C ATOM 121 O ASN A 8 2.748 -0.116 -11.036 1.00 0.00 O ATOM 122 CB ASN A 8 5.674 -0.200 -10.623 1.00 0.00 C ATOM 123 CG ASN A 8 6.448 -0.725 -11.817 1.00 0.00 C ATOM 124 OD1 ASN A 8 5.864 -1.148 -12.815 1.00 0.00 O ATOM 125 ND2 ASN A 8 7.773 -0.701 -11.721 1.00 0.00 N ATOM 0 H ASN A 8 5.613 -2.887 -10.947 1.00 0.00 H new ATOM 0 HA ASN A 8 4.374 -0.965 -9.068 1.00 0.00 H new ATOM 0 HB2 ASN A 8 5.155 0.716 -10.905 1.00 0.00 H new ATOM 0 HB3 ASN A 8 6.372 0.061 -9.828 1.00 0.00 H new ATOM 0 HD21 ASN A 8 8.346 -1.042 -12.493 1.00 0.00 H new ATOM 0 HD22 ASN A 8 8.217 -0.342 -10.876 1.00 0.00 H new ATOM 132 N ALA A 9 3.016 -2.272 -11.551 1.00 0.00 N ATOM 133 CA ALA A 9 1.818 -2.326 -12.381 1.00 0.00 C ATOM 134 C ALA A 9 1.326 -3.761 -12.497 1.00 0.00 C ATOM 135 O ALA A 9 2.098 -4.670 -12.799 1.00 0.00 O ATOM 136 CB ALA A 9 2.100 -1.746 -13.758 1.00 0.00 C ATOM 0 H ALA A 9 3.527 -3.153 -11.489 1.00 0.00 H new ATOM 0 HA ALA A 9 1.038 -1.727 -11.910 1.00 0.00 H new ATOM 0 HB1 ALA A 9 1.196 -1.794 -14.365 1.00 0.00 H new ATOM 0 HB2 ALA A 9 2.415 -0.707 -13.658 1.00 0.00 H new ATOM 0 HB3 ALA A 9 2.891 -2.320 -14.240 1.00 0.00 H new ATOM 142 N TRP A 10 0.040 -3.959 -12.254 1.00 0.00 N ATOM 143 CA TRP A 10 -0.553 -5.287 -12.316 1.00 0.00 C ATOM 144 C TRP A 10 -1.656 -5.360 -13.369 1.00 0.00 C ATOM 145 O TRP A 10 -2.839 -5.401 -13.040 1.00 0.00 O ATOM 146 CB TRP A 10 -1.102 -5.666 -10.938 1.00 0.00 C ATOM 147 CG TRP A 10 -0.018 -5.951 -9.944 1.00 0.00 C ATOM 148 CD1 TRP A 10 0.515 -7.168 -9.628 1.00 0.00 C ATOM 149 CD2 TRP A 10 0.671 -4.989 -9.138 1.00 0.00 C ATOM 150 NE1 TRP A 10 1.506 -7.016 -8.684 1.00 0.00 N ATOM 151 CE2 TRP A 10 1.618 -5.687 -8.366 1.00 0.00 C ATOM 152 CE3 TRP A 10 0.579 -3.604 -9.000 1.00 0.00 C ATOM 153 CZ2 TRP A 10 2.470 -5.041 -7.470 1.00 0.00 C ATOM 154 CZ3 TRP A 10 1.421 -2.962 -8.108 1.00 0.00 C ATOM 155 CH2 TRP A 10 2.358 -3.681 -7.356 1.00 0.00 C ATOM 0 H TRP A 10 -0.615 -3.216 -12.011 1.00 0.00 H new ATOM 0 HA TRP A 10 0.222 -5.996 -12.607 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -1.728 -4.855 -10.565 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -1.741 -6.544 -11.035 1.00 0.00 H new ATOM 0 HD1 TRP A 10 0.205 -8.110 -10.055 1.00 0.00 H new ATOM 0 HE1 TRP A 10 2.066 -7.770 -8.286 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -0.138 -3.041 -9.580 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 3.192 -5.594 -6.887 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 1.354 -1.891 -7.990 1.00 0.00 H new ATOM 0 HH2 TRP A 10 3.006 -3.152 -6.672 1.00 0.00 H new ATOM 166 N PRO A 11 -1.279 -5.385 -14.660 1.00 0.00 N ATOM 167 CA PRO A 11 -2.249 -5.466 -15.756 1.00 0.00 C ATOM 168 C PRO A 11 -3.169 -6.674 -15.616 1.00 0.00 C ATOM 169 O PRO A 11 -4.367 -6.594 -15.895 1.00 0.00 O ATOM 170 CB PRO A 11 -1.373 -5.611 -17.005 1.00 0.00 C ATOM 171 CG PRO A 11 -0.044 -5.063 -16.615 1.00 0.00 C ATOM 172 CD PRO A 11 0.111 -5.348 -15.148 1.00 0.00 C ATOM 0 HA PRO A 11 -2.907 -4.597 -15.782 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.294 -6.654 -17.312 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -1.794 -5.062 -17.847 1.00 0.00 H new ATOM 0 HG2 PRO A 11 0.755 -5.532 -17.190 1.00 0.00 H new ATOM 0 HG3 PRO A 11 0.009 -3.992 -16.812 1.00 0.00 H new ATOM 0 HD2 PRO A 11 0.623 -6.294 -14.974 1.00 0.00 H new ATOM 0 HD3 PRO A 11 0.692 -4.574 -14.647 1.00 0.00 H new ATOM 179 N GLU A 12 -2.596 -7.793 -15.183 1.00 0.00 N ATOM 180 CA GLU A 12 -3.351 -9.029 -15.006 1.00 0.00 C ATOM 181 C GLU A 12 -4.458 -8.885 -13.961 1.00 0.00 C ATOM 182 O GLU A 12 -5.298 -9.773 -13.820 1.00 0.00 O ATOM 183 CB GLU A 12 -2.412 -10.168 -14.618 1.00 0.00 C ATOM 184 CG GLU A 12 -1.779 -9.990 -13.255 1.00 0.00 C ATOM 185 CD GLU A 12 -0.327 -9.566 -13.339 1.00 0.00 C ATOM 186 OE1 GLU A 12 -0.014 -8.691 -14.175 1.00 0.00 O ATOM 187 OE2 GLU A 12 0.496 -10.106 -12.571 1.00 0.00 O ATOM 0 H GLU A 12 -1.607 -7.869 -14.947 1.00 0.00 H new ATOM 0 HA GLU A 12 -3.828 -9.257 -15.959 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -2.966 -11.106 -14.633 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -1.625 -10.251 -15.367 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -2.340 -9.244 -12.692 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -1.849 -10.926 -12.701 1.00 0.00 H new ATOM 194 N LEU A 13 -4.465 -7.773 -13.230 1.00 0.00 N ATOM 195 CA LEU A 13 -5.486 -7.551 -12.218 1.00 0.00 C ATOM 196 C LEU A 13 -6.749 -6.970 -12.842 1.00 0.00 C ATOM 197 O LEU A 13 -7.843 -7.117 -12.296 1.00 0.00 O ATOM 198 CB LEU A 13 -4.970 -6.622 -11.114 1.00 0.00 C ATOM 199 CG LEU A 13 -3.991 -7.268 -10.131 1.00 0.00 C ATOM 200 CD1 LEU A 13 -3.531 -6.261 -9.089 1.00 0.00 C ATOM 201 CD2 LEU A 13 -4.636 -8.473 -9.466 1.00 0.00 C ATOM 0 H LEU A 13 -3.782 -7.021 -13.320 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.729 -8.516 -11.773 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.482 -5.765 -11.579 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.823 -6.238 -10.555 1.00 0.00 H new ATOM 0 HG LEU A 13 -3.114 -7.604 -10.684 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.836 -6.742 -8.401 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.033 -5.427 -9.584 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.394 -5.892 -8.534 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.930 -8.925 -8.769 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.528 -8.156 -8.925 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.913 -9.203 -10.226 1.00 0.00 H new ATOM 213 N VAL A 14 -6.601 -6.321 -13.995 1.00 0.00 N ATOM 214 CA VAL A 14 -7.744 -5.729 -14.684 1.00 0.00 C ATOM 215 C VAL A 14 -8.792 -6.793 -14.998 1.00 0.00 C ATOM 216 O VAL A 14 -8.560 -7.684 -15.815 1.00 0.00 O ATOM 217 CB VAL A 14 -7.314 -5.042 -15.996 1.00 0.00 C ATOM 218 CG1 VAL A 14 -8.495 -4.332 -16.646 1.00 0.00 C ATOM 219 CG2 VAL A 14 -6.174 -4.067 -15.739 1.00 0.00 C ATOM 0 H VAL A 14 -5.707 -6.192 -14.469 1.00 0.00 H new ATOM 0 HA VAL A 14 -8.171 -4.980 -14.018 1.00 0.00 H new ATOM 0 HB VAL A 14 -6.960 -5.809 -16.684 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -8.169 -3.854 -17.570 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -9.278 -5.057 -16.869 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -8.885 -3.576 -15.965 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -5.884 -3.592 -16.676 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -6.500 -3.305 -15.031 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -5.321 -4.605 -15.326 1.00 0.00 H new ATOM 229 N GLY A 15 -9.938 -6.704 -14.334 1.00 0.00 N ATOM 230 CA GLY A 15 -10.994 -7.674 -14.547 1.00 0.00 C ATOM 231 C GLY A 15 -11.202 -8.569 -13.339 1.00 0.00 C ATOM 232 O GLY A 15 -12.152 -9.350 -13.293 1.00 0.00 O ATOM 0 H GLY A 15 -10.154 -5.977 -13.652 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -11.924 -7.152 -14.775 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -10.752 -8.288 -15.415 1.00 0.00 H new ATOM 236 N LYS A 16 -10.312 -8.450 -12.354 1.00 0.00 N ATOM 237 CA LYS A 16 -10.408 -9.249 -11.138 1.00 0.00 C ATOM 238 C LYS A 16 -11.054 -8.443 -10.015 1.00 0.00 C ATOM 239 O LYS A 16 -11.185 -7.228 -10.116 1.00 0.00 O ATOM 240 CB LYS A 16 -9.020 -9.730 -10.710 1.00 0.00 C ATOM 241 CG LYS A 16 -8.764 -11.197 -11.014 1.00 0.00 C ATOM 242 CD LYS A 16 -8.946 -12.066 -9.778 1.00 0.00 C ATOM 243 CE LYS A 16 -10.160 -12.973 -9.904 1.00 0.00 C ATOM 244 NZ LYS A 16 -10.297 -13.883 -8.733 1.00 0.00 N ATOM 0 H LYS A 16 -9.519 -7.809 -12.376 1.00 0.00 H new ATOM 0 HA LYS A 16 -11.034 -10.117 -11.345 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -8.264 -9.126 -11.213 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -8.901 -9.563 -9.639 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -9.444 -11.531 -11.797 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -7.751 -11.318 -11.399 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -8.053 -12.672 -9.624 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -9.056 -11.431 -8.899 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -11.060 -12.365 -9.998 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -10.078 -13.564 -10.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -11.096 -14.531 -8.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -9.422 -14.434 -8.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -10.469 -13.321 -7.875 1.00 0.00 H new ATOM 258 N SER A 17 -11.463 -9.124 -8.950 1.00 0.00 N ATOM 259 CA SER A 17 -12.100 -8.454 -7.820 1.00 0.00 C ATOM 260 C SER A 17 -11.140 -7.482 -7.148 1.00 0.00 C ATOM 261 O SER A 17 -9.947 -7.761 -7.022 1.00 0.00 O ATOM 262 CB SER A 17 -12.589 -9.477 -6.794 1.00 0.00 C ATOM 263 OG SER A 17 -11.538 -9.875 -5.929 1.00 0.00 O ATOM 0 H SER A 17 -11.366 -10.134 -8.845 1.00 0.00 H new ATOM 0 HA SER A 17 -12.953 -7.895 -8.206 1.00 0.00 H new ATOM 0 HB2 SER A 17 -13.403 -9.049 -6.209 1.00 0.00 H new ATOM 0 HB3 SER A 17 -12.991 -10.350 -7.309 1.00 0.00 H new ATOM 0 HG SER A 17 -11.877 -10.528 -5.281 1.00 0.00 H new ATOM 269 N GLY A 18 -11.669 -6.347 -6.703 1.00 0.00 N ATOM 270 CA GLY A 18 -10.844 -5.357 -6.036 1.00 0.00 C ATOM 271 C GLY A 18 -10.062 -5.958 -4.883 1.00 0.00 C ATOM 272 O GLY A 18 -8.945 -5.530 -4.588 1.00 0.00 O ATOM 0 H GLY A 18 -12.653 -6.095 -6.792 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -10.152 -4.917 -6.754 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -11.475 -4.549 -5.665 1.00 0.00 H new ATOM 276 N ASN A 19 -10.649 -6.961 -4.235 1.00 0.00 N ATOM 277 CA ASN A 19 -9.997 -7.626 -3.114 1.00 0.00 C ATOM 278 C ASN A 19 -8.799 -8.425 -3.607 1.00 0.00 C ATOM 279 O ASN A 19 -7.733 -8.418 -2.989 1.00 0.00 O ATOM 280 CB ASN A 19 -10.980 -8.549 -2.389 1.00 0.00 C ATOM 281 CG ASN A 19 -10.494 -8.935 -1.005 1.00 0.00 C ATOM 282 OD1 ASN A 19 -9.308 -9.192 -0.800 1.00 0.00 O ATOM 283 ND2 ASN A 19 -11.413 -8.985 -0.047 1.00 0.00 N ATOM 0 H ASN A 19 -11.572 -7.329 -4.467 1.00 0.00 H new ATOM 0 HA ASN A 19 -9.655 -6.865 -2.412 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -11.947 -8.053 -2.307 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -11.133 -9.450 -2.982 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -11.146 -9.244 0.903 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -12.385 -8.764 -0.261 1.00 0.00 H new ATOM 290 N MET A 20 -8.985 -9.109 -4.732 1.00 0.00 N ATOM 291 CA MET A 20 -7.920 -9.906 -5.319 1.00 0.00 C ATOM 292 C MET A 20 -6.789 -8.999 -5.782 1.00 0.00 C ATOM 293 O MET A 20 -5.615 -9.355 -5.690 1.00 0.00 O ATOM 294 CB MET A 20 -8.454 -10.729 -6.494 1.00 0.00 C ATOM 295 CG MET A 20 -8.037 -12.190 -6.450 1.00 0.00 C ATOM 296 SD MET A 20 -6.246 -12.400 -6.442 1.00 0.00 S ATOM 297 CE MET A 20 -5.804 -11.583 -7.974 1.00 0.00 C ATOM 0 H MET A 20 -9.862 -9.126 -5.252 1.00 0.00 H new ATOM 0 HA MET A 20 -7.537 -10.592 -4.563 1.00 0.00 H new ATOM 0 HB2 MET A 20 -9.542 -10.670 -6.504 1.00 0.00 H new ATOM 0 HB3 MET A 20 -8.103 -10.287 -7.426 1.00 0.00 H new ATOM 0 HG2 MET A 20 -8.458 -12.657 -5.560 1.00 0.00 H new ATOM 0 HG3 MET A 20 -8.456 -12.710 -7.311 1.00 0.00 H new ATOM 0 HE1 MET A 20 -4.778 -11.838 -8.239 1.00 0.00 H new ATOM 0 HE2 MET A 20 -6.476 -11.910 -8.768 1.00 0.00 H new ATOM 0 HE3 MET A 20 -5.889 -10.504 -7.848 1.00 0.00 H new ATOM 307 N ALA A 21 -7.156 -7.815 -6.266 1.00 0.00 N ATOM 308 CA ALA A 21 -6.173 -6.847 -6.725 1.00 0.00 C ATOM 309 C ALA A 21 -5.309 -6.389 -5.560 1.00 0.00 C ATOM 310 O ALA A 21 -4.094 -6.585 -5.559 1.00 0.00 O ATOM 311 CB ALA A 21 -6.862 -5.659 -7.380 1.00 0.00 C ATOM 0 H ALA A 21 -8.125 -7.507 -6.349 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.533 -7.322 -7.468 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -6.112 -4.944 -7.718 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -7.446 -6.003 -8.234 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -7.522 -5.178 -6.658 1.00 0.00 H new ATOM 317 N ALA A 22 -5.949 -5.800 -4.551 1.00 0.00 N ATOM 318 CA ALA A 22 -5.237 -5.333 -3.367 1.00 0.00 C ATOM 319 C ALA A 22 -4.321 -6.422 -2.824 1.00 0.00 C ATOM 320 O ALA A 22 -3.140 -6.186 -2.575 1.00 0.00 O ATOM 321 CB ALA A 22 -6.219 -4.888 -2.293 1.00 0.00 C ATOM 0 H ALA A 22 -6.956 -5.636 -4.531 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.625 -4.478 -3.655 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.669 -4.543 -1.417 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.835 -4.075 -2.678 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.857 -5.726 -2.013 1.00 0.00 H new ATOM 327 N ALA A 23 -4.875 -7.617 -2.645 1.00 0.00 N ATOM 328 CA ALA A 23 -4.103 -8.744 -2.134 1.00 0.00 C ATOM 329 C ALA A 23 -2.903 -9.027 -3.030 1.00 0.00 C ATOM 330 O ALA A 23 -1.794 -9.249 -2.547 1.00 0.00 O ATOM 331 CB ALA A 23 -4.981 -9.981 -2.015 1.00 0.00 C ATOM 0 H ALA A 23 -5.852 -7.830 -2.845 1.00 0.00 H new ATOM 0 HA ALA A 23 -3.735 -8.483 -1.142 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -4.389 -10.812 -1.632 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -5.805 -9.778 -1.331 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -5.379 -10.241 -2.996 1.00 0.00 H new ATOM 337 N THR A 24 -3.134 -9.009 -4.337 1.00 0.00 N ATOM 338 CA THR A 24 -2.071 -9.260 -5.302 1.00 0.00 C ATOM 339 C THR A 24 -0.956 -8.232 -5.157 1.00 0.00 C ATOM 340 O THR A 24 0.223 -8.575 -5.186 1.00 0.00 O ATOM 341 CB THR A 24 -2.628 -9.230 -6.726 1.00 0.00 C ATOM 342 OG1 THR A 24 -3.626 -10.219 -6.897 1.00 0.00 O ATOM 343 CG2 THR A 24 -1.574 -9.455 -7.790 1.00 0.00 C ATOM 0 H THR A 24 -4.047 -8.823 -4.753 1.00 0.00 H new ATOM 0 HA THR A 24 -1.658 -10.249 -5.104 1.00 0.00 H new ATOM 0 HB THR A 24 -3.038 -8.228 -6.851 1.00 0.00 H new ATOM 0 HG1 THR A 24 -4.336 -10.085 -6.235 1.00 0.00 H new ATOM 0 HG21 THR A 24 -2.039 -9.421 -8.775 1.00 0.00 H new ATOM 0 HG22 THR A 24 -0.814 -8.677 -7.720 1.00 0.00 H new ATOM 0 HG23 THR A 24 -1.109 -10.430 -7.641 1.00 0.00 H new ATOM 351 N VAL A 25 -1.339 -6.969 -4.998 1.00 0.00 N ATOM 352 CA VAL A 25 -0.370 -5.890 -4.851 1.00 0.00 C ATOM 353 C VAL A 25 0.389 -5.997 -3.534 1.00 0.00 C ATOM 354 O VAL A 25 1.619 -5.967 -3.513 1.00 0.00 O ATOM 355 CB VAL A 25 -1.052 -4.510 -4.940 1.00 0.00 C ATOM 356 CG1 VAL A 25 -0.016 -3.400 -4.983 1.00 0.00 C ATOM 357 CG2 VAL A 25 -1.966 -4.445 -6.155 1.00 0.00 C ATOM 0 H VAL A 25 -2.313 -6.668 -4.968 1.00 0.00 H new ATOM 0 HA VAL A 25 0.339 -5.988 -5.673 1.00 0.00 H new ATOM 0 HB VAL A 25 -1.660 -4.369 -4.047 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.519 -2.435 -5.046 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.592 -3.434 -4.079 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.624 -3.533 -5.855 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -2.439 -3.464 -6.202 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.381 -4.610 -7.060 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -2.734 -5.215 -6.074 1.00 0.00 H new ATOM 367 N GLU A 26 -0.345 -6.120 -2.436 1.00 0.00 N ATOM 368 CA GLU A 26 0.277 -6.225 -1.122 1.00 0.00 C ATOM 369 C GLU A 26 1.087 -7.512 -0.998 1.00 0.00 C ATOM 370 O GLU A 26 2.068 -7.567 -0.257 1.00 0.00 O ATOM 371 CB GLU A 26 -0.785 -6.170 -0.021 1.00 0.00 C ATOM 372 CG GLU A 26 -1.849 -5.105 -0.249 1.00 0.00 C ATOM 373 CD GLU A 26 -1.750 -3.949 0.726 1.00 0.00 C ATOM 374 OE1 GLU A 26 -1.013 -4.072 1.727 1.00 0.00 O ATOM 375 OE2 GLU A 26 -2.412 -2.916 0.486 1.00 0.00 O ATOM 0 H GLU A 26 -1.365 -6.149 -2.428 1.00 0.00 H new ATOM 0 HA GLU A 26 0.955 -5.379 -1.006 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -1.269 -7.144 0.054 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -0.295 -5.983 0.935 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -1.761 -4.723 -1.266 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -2.835 -5.561 -0.164 1.00 0.00 H new ATOM 382 N ARG A 27 0.671 -8.545 -1.723 1.00 0.00 N ATOM 383 CA ARG A 27 1.363 -9.830 -1.684 1.00 0.00 C ATOM 384 C ARG A 27 2.588 -9.822 -2.594 1.00 0.00 C ATOM 385 O ARG A 27 3.706 -10.070 -2.143 1.00 0.00 O ATOM 386 CB ARG A 27 0.417 -10.961 -2.092 1.00 0.00 C ATOM 387 CG ARG A 27 0.939 -12.342 -1.732 1.00 0.00 C ATOM 388 CD ARG A 27 0.066 -13.440 -2.316 1.00 0.00 C ATOM 389 NE ARG A 27 0.577 -13.918 -3.599 1.00 0.00 N ATOM 390 CZ ARG A 27 0.329 -15.129 -4.092 1.00 0.00 C ATOM 391 NH1 ARG A 27 -0.428 -15.988 -3.420 1.00 0.00 N ATOM 392 NH2 ARG A 27 0.838 -15.483 -5.265 1.00 0.00 N ATOM 0 H ARG A 27 -0.139 -8.519 -2.343 1.00 0.00 H new ATOM 0 HA ARG A 27 1.696 -9.998 -0.660 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -0.549 -10.809 -1.610 1.00 0.00 H new ATOM 0 HB3 ARG A 27 0.248 -10.913 -3.168 1.00 0.00 H new ATOM 0 HG2 ARG A 27 1.959 -12.453 -2.100 1.00 0.00 H new ATOM 0 HG3 ARG A 27 0.978 -12.446 -0.648 1.00 0.00 H new ATOM 0 HD2 ARG A 27 0.011 -14.272 -1.614 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -0.949 -13.066 -2.446 1.00 0.00 H new ATOM 0 HE ARG A 27 1.158 -13.286 -4.149 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -0.824 -15.722 -2.519 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -0.613 -16.914 -3.805 1.00 0.00 H new ATOM 0 HH21 ARG A 27 1.419 -14.827 -5.788 1.00 0.00 H new ATOM 0 HH22 ARG A 27 0.649 -16.411 -5.644 1.00 0.00 H new ATOM 406 N GLU A 28 2.374 -9.535 -3.876 1.00 0.00 N ATOM 407 CA GLU A 28 3.473 -9.496 -4.835 1.00 0.00 C ATOM 408 C GLU A 28 4.467 -8.409 -4.459 1.00 0.00 C ATOM 409 O GLU A 28 5.663 -8.529 -4.723 1.00 0.00 O ATOM 410 CB GLU A 28 2.953 -9.245 -6.253 1.00 0.00 C ATOM 411 CG GLU A 28 2.453 -10.498 -6.954 1.00 0.00 C ATOM 412 CD GLU A 28 2.777 -10.500 -8.435 1.00 0.00 C ATOM 413 OE1 GLU A 28 2.632 -9.438 -9.075 1.00 0.00 O ATOM 414 OE2 GLU A 28 3.176 -11.563 -8.955 1.00 0.00 O ATOM 0 H GLU A 28 1.457 -9.328 -4.272 1.00 0.00 H new ATOM 0 HA GLU A 28 3.972 -10.465 -4.810 1.00 0.00 H new ATOM 0 HB2 GLU A 28 2.143 -8.517 -6.209 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.750 -8.800 -6.849 1.00 0.00 H new ATOM 0 HG2 GLU A 28 2.899 -11.375 -6.486 1.00 0.00 H new ATOM 0 HG3 GLU A 28 1.374 -10.580 -6.821 1.00 0.00 H new ATOM 421 N ASN A 29 3.965 -7.344 -3.841 1.00 0.00 N ATOM 422 CA ASN A 29 4.811 -6.232 -3.436 1.00 0.00 C ATOM 423 C ASN A 29 4.624 -5.904 -1.959 1.00 0.00 C ATOM 424 O ASN A 29 3.944 -4.942 -1.603 1.00 0.00 O ATOM 425 CB ASN A 29 4.497 -5.007 -4.290 1.00 0.00 C ATOM 426 CG ASN A 29 5.456 -3.865 -4.023 1.00 0.00 C ATOM 427 OD1 ASN A 29 5.929 -3.692 -2.897 1.00 0.00 O ATOM 428 ND2 ASN A 29 5.757 -3.089 -5.059 1.00 0.00 N ATOM 0 H ASN A 29 2.978 -7.230 -3.611 1.00 0.00 H new ATOM 0 HA ASN A 29 5.851 -6.522 -3.585 1.00 0.00 H new ATOM 0 HB2 ASN A 29 4.543 -5.279 -5.344 1.00 0.00 H new ATOM 0 HB3 ASN A 29 3.477 -4.678 -4.090 1.00 0.00 H new ATOM 0 HD21 ASN A 29 6.405 -2.310 -4.942 1.00 0.00 H new ATOM 0 HD22 ASN A 29 5.340 -3.272 -5.972 1.00 0.00 H new ATOM 435 N ARG A 30 5.258 -6.702 -1.105 1.00 0.00 N ATOM 436 CA ARG A 30 5.183 -6.501 0.338 1.00 0.00 C ATOM 437 C ARG A 30 5.823 -5.177 0.766 1.00 0.00 C ATOM 438 O ARG A 30 5.876 -4.868 1.956 1.00 0.00 O ATOM 439 CB ARG A 30 5.861 -7.665 1.067 1.00 0.00 C ATOM 440 CG ARG A 30 7.313 -7.876 0.665 1.00 0.00 C ATOM 441 CD ARG A 30 7.746 -9.318 0.883 1.00 0.00 C ATOM 442 NE ARG A 30 8.764 -9.737 -0.080 1.00 0.00 N ATOM 443 CZ ARG A 30 9.038 -11.009 -0.364 1.00 0.00 C ATOM 444 NH1 ARG A 30 8.375 -11.989 0.238 1.00 0.00 N ATOM 445 NH2 ARG A 30 9.978 -11.302 -1.253 1.00 0.00 N ATOM 0 H ARG A 30 5.831 -7.496 -1.389 1.00 0.00 H new ATOM 0 HA ARG A 30 4.128 -6.463 0.608 1.00 0.00 H new ATOM 0 HB2 ARG A 30 5.813 -7.487 2.141 1.00 0.00 H new ATOM 0 HB3 ARG A 30 5.302 -8.580 0.870 1.00 0.00 H new ATOM 0 HG2 ARG A 30 7.444 -7.610 -0.384 1.00 0.00 H new ATOM 0 HG3 ARG A 30 7.953 -7.211 1.245 1.00 0.00 H new ATOM 0 HD2 ARG A 30 8.136 -9.430 1.895 1.00 0.00 H new ATOM 0 HD3 ARG A 30 6.879 -9.973 0.801 1.00 0.00 H new ATOM 0 HE ARG A 30 9.295 -9.012 -0.563 1.00 0.00 H new ATOM 0 HH11 ARG A 30 7.651 -11.770 0.922 1.00 0.00 H new ATOM 0 HH12 ARG A 30 8.589 -12.961 0.016 1.00 0.00 H new ATOM 0 HH21 ARG A 30 10.491 -10.553 -1.719 1.00 0.00 H new ATOM 0 HH22 ARG A 30 10.188 -12.276 -1.471 1.00 0.00 H new ATOM 459 N ASN A 31 6.309 -4.395 -0.200 1.00 0.00 N ATOM 460 CA ASN A 31 6.940 -3.115 0.102 1.00 0.00 C ATOM 461 C ASN A 31 5.967 -1.951 -0.093 1.00 0.00 C ATOM 462 O ASN A 31 6.299 -0.802 0.198 1.00 0.00 O ATOM 463 CB ASN A 31 8.168 -2.920 -0.784 1.00 0.00 C ATOM 464 CG ASN A 31 8.911 -1.635 -0.480 1.00 0.00 C ATOM 465 OD1 ASN A 31 8.635 -0.591 -1.071 1.00 0.00 O ATOM 466 ND2 ASN A 31 9.861 -1.706 0.446 1.00 0.00 N ATOM 0 H ASN A 31 6.277 -4.627 -1.193 1.00 0.00 H new ATOM 0 HA ASN A 31 7.243 -3.128 1.149 1.00 0.00 H new ATOM 0 HB2 ASN A 31 8.844 -3.765 -0.652 1.00 0.00 H new ATOM 0 HB3 ASN A 31 7.860 -2.918 -1.830 1.00 0.00 H new ATOM 0 HD21 ASN A 31 10.396 -0.873 0.693 1.00 0.00 H new ATOM 0 HD22 ASN A 31 10.055 -2.593 0.910 1.00 0.00 H new ATOM 473 N VAL A 32 4.770 -2.246 -0.598 1.00 0.00 N ATOM 474 CA VAL A 32 3.773 -1.212 -0.839 1.00 0.00 C ATOM 475 C VAL A 32 2.357 -1.752 -0.665 1.00 0.00 C ATOM 476 O VAL A 32 2.157 -2.965 -0.609 1.00 0.00 O ATOM 477 CB VAL A 32 3.936 -0.631 -2.255 1.00 0.00 C ATOM 478 CG1 VAL A 32 5.360 -0.124 -2.445 1.00 0.00 C ATOM 479 CG2 VAL A 32 3.588 -1.667 -3.312 1.00 0.00 C ATOM 0 H VAL A 32 4.471 -3.189 -0.846 1.00 0.00 H new ATOM 0 HA VAL A 32 3.931 -0.423 -0.103 1.00 0.00 H new ATOM 0 HB VAL A 32 3.246 0.205 -2.370 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.469 0.286 -3.449 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.570 0.654 -1.711 1.00 0.00 H new ATOM 0 HG13 VAL A 32 6.061 -0.948 -2.311 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.711 -1.231 -4.303 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.249 -2.528 -3.209 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.554 -1.986 -3.182 1.00 0.00 H new ATOM 489 N HIS A 33 1.374 -0.854 -0.581 1.00 0.00 N ATOM 490 CA HIS A 33 -0.017 -1.279 -0.419 1.00 0.00 C ATOM 491 C HIS A 33 -0.927 -0.604 -1.441 1.00 0.00 C ATOM 492 O HIS A 33 -0.634 0.489 -1.930 1.00 0.00 O ATOM 493 CB HIS A 33 -0.528 -1.009 1.002 1.00 0.00 C ATOM 494 CG HIS A 33 -0.004 0.246 1.632 1.00 0.00 C ATOM 495 ND1 HIS A 33 0.590 0.268 2.875 1.00 0.00 N ATOM 496 CD2 HIS A 33 -0.006 1.526 1.196 1.00 0.00 C ATOM 497 CE1 HIS A 33 0.928 1.508 3.177 1.00 0.00 C ATOM 498 NE2 HIS A 33 0.579 2.291 2.175 1.00 0.00 N ATOM 0 H HIS A 33 1.511 0.156 -0.622 1.00 0.00 H new ATOM 0 HA HIS A 33 -0.042 -2.355 -0.592 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -1.617 -0.959 0.978 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -0.262 -1.855 1.635 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -0.395 1.881 0.253 1.00 0.00 H new ATOM 0 HE1 HIS A 33 1.409 1.827 4.090 1.00 0.00 H new ATOM 0 HE2 HIS A 33 0.720 3.300 2.134 1.00 0.00 H new ATOM 507 N ALA A 34 -2.027 -1.276 -1.771 1.00 0.00 N ATOM 508 CA ALA A 34 -2.980 -0.754 -2.742 1.00 0.00 C ATOM 509 C ALA A 34 -4.306 -0.394 -2.080 1.00 0.00 C ATOM 510 O ALA A 34 -4.722 -1.032 -1.113 1.00 0.00 O ATOM 511 CB ALA A 34 -3.205 -1.768 -3.853 1.00 0.00 C ATOM 0 H ALA A 34 -2.279 -2.183 -1.379 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.560 0.157 -3.169 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.919 -1.367 -4.573 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.260 -1.973 -4.355 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -3.598 -2.692 -3.428 1.00 0.00 H new ATOM 517 N ILE A 35 -4.966 0.628 -2.617 1.00 0.00 N ATOM 518 CA ILE A 35 -6.251 1.075 -2.090 1.00 0.00 C ATOM 519 C ILE A 35 -7.370 0.804 -3.090 1.00 0.00 C ATOM 520 O ILE A 35 -7.406 1.391 -4.176 1.00 0.00 O ATOM 521 CB ILE A 35 -6.233 2.577 -1.752 1.00 0.00 C ATOM 522 CG1 ILE A 35 -5.035 2.908 -0.860 1.00 0.00 C ATOM 523 CG2 ILE A 35 -7.536 2.985 -1.076 1.00 0.00 C ATOM 524 CD1 ILE A 35 -3.982 3.743 -1.552 1.00 0.00 C ATOM 0 H ILE A 35 -4.631 1.163 -3.418 1.00 0.00 H new ATOM 0 HA ILE A 35 -6.433 0.511 -1.175 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.137 3.142 -2.679 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -5.386 3.440 0.024 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.582 1.979 -0.514 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -7.507 4.050 -0.843 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -8.372 2.782 -1.745 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.662 2.416 -0.155 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -3.162 3.940 -0.861 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.603 3.204 -2.421 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.420 4.688 -1.874 1.00 0.00 H new ATOM 536 N VAL A 36 -8.284 -0.084 -2.719 1.00 0.00 N ATOM 537 CA VAL A 36 -9.399 -0.430 -3.583 1.00 0.00 C ATOM 538 C VAL A 36 -10.534 0.574 -3.451 1.00 0.00 C ATOM 539 O VAL A 36 -11.194 0.664 -2.415 1.00 0.00 O ATOM 540 CB VAL A 36 -9.924 -1.842 -3.270 1.00 0.00 C ATOM 541 CG1 VAL A 36 -11.084 -2.206 -4.187 1.00 0.00 C ATOM 542 CG2 VAL A 36 -8.803 -2.860 -3.389 1.00 0.00 C ATOM 0 H VAL A 36 -8.273 -0.576 -1.826 1.00 0.00 H new ATOM 0 HA VAL A 36 -9.029 -0.408 -4.608 1.00 0.00 H new ATOM 0 HB VAL A 36 -10.292 -1.852 -2.244 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -11.438 -3.209 -3.946 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -11.896 -1.492 -4.048 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -10.750 -2.179 -5.224 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -9.189 -3.854 -3.165 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -8.405 -2.846 -4.404 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -8.010 -2.612 -2.684 1.00 0.00 H new ATOM 552 N LEU A 37 -10.749 1.326 -4.520 1.00 0.00 N ATOM 553 CA LEU A 37 -11.798 2.332 -4.565 1.00 0.00 C ATOM 554 C LEU A 37 -12.541 2.233 -5.888 1.00 0.00 C ATOM 555 O LEU A 37 -11.991 1.752 -6.873 1.00 0.00 O ATOM 556 CB LEU A 37 -11.200 3.728 -4.404 1.00 0.00 C ATOM 557 CG LEU A 37 -9.815 3.910 -5.026 1.00 0.00 C ATOM 558 CD1 LEU A 37 -9.935 4.311 -6.487 1.00 0.00 C ATOM 559 CD2 LEU A 37 -9.019 4.941 -4.246 1.00 0.00 C ATOM 0 H LEU A 37 -10.202 1.256 -5.378 1.00 0.00 H new ATOM 0 HA LEU A 37 -12.495 2.157 -3.746 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -11.881 4.453 -4.850 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -11.138 3.961 -3.341 1.00 0.00 H new ATOM 0 HG LEU A 37 -9.284 2.959 -4.979 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -8.939 4.436 -6.913 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -10.469 3.535 -7.035 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -10.483 5.250 -6.563 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -8.035 5.061 -4.700 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -9.545 5.896 -4.263 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -8.905 4.608 -3.214 1.00 0.00 H new ATOM 571 N LYS A 38 -13.789 2.674 -5.911 1.00 0.00 N ATOM 572 CA LYS A 38 -14.578 2.603 -7.134 1.00 0.00 C ATOM 573 C LYS A 38 -14.335 3.813 -8.027 1.00 0.00 C ATOM 574 O LYS A 38 -13.925 4.876 -7.560 1.00 0.00 O ATOM 575 CB LYS A 38 -16.072 2.500 -6.808 1.00 0.00 C ATOM 576 CG LYS A 38 -16.565 1.079 -6.596 1.00 0.00 C ATOM 577 CD LYS A 38 -16.133 0.534 -5.245 1.00 0.00 C ATOM 578 CE LYS A 38 -17.036 1.037 -4.128 1.00 0.00 C ATOM 579 NZ LYS A 38 -18.425 0.514 -4.258 1.00 0.00 N ATOM 0 H LYS A 38 -14.273 3.080 -5.110 1.00 0.00 H new ATOM 0 HA LYS A 38 -14.262 1.709 -7.671 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -16.278 3.082 -5.910 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -16.642 2.953 -7.619 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -17.652 1.056 -6.668 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -16.180 0.437 -7.388 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -16.152 -0.556 -5.268 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -15.104 0.830 -5.044 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -16.624 0.736 -3.165 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -17.056 2.127 -4.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -18.899 0.553 -3.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -18.952 1.094 -4.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -18.395 -0.471 -4.591 1.00 0.00 H new ATOM 593 N GLU A 39 -14.609 3.642 -9.320 1.00 0.00 N ATOM 594 CA GLU A 39 -14.434 4.715 -10.293 1.00 0.00 C ATOM 595 C GLU A 39 -15.172 5.972 -9.848 1.00 0.00 C ATOM 596 O GLU A 39 -16.400 5.995 -9.781 1.00 0.00 O ATOM 597 CB GLU A 39 -14.939 4.271 -11.669 1.00 0.00 C ATOM 598 CG GLU A 39 -14.033 4.690 -12.815 1.00 0.00 C ATOM 599 CD GLU A 39 -13.680 3.530 -13.728 1.00 0.00 C ATOM 600 OE1 GLU A 39 -14.610 2.899 -14.270 1.00 0.00 O ATOM 601 OE2 GLU A 39 -12.473 3.261 -13.907 1.00 0.00 O ATOM 0 H GLU A 39 -14.954 2.768 -9.717 1.00 0.00 H new ATOM 0 HA GLU A 39 -13.370 4.943 -10.362 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -15.041 3.186 -11.676 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -15.933 4.686 -11.833 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -14.525 5.470 -13.397 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -13.118 5.123 -12.411 1.00 0.00 H new ATOM 608 N GLY A 40 -14.411 7.014 -9.540 1.00 0.00 N ATOM 609 CA GLY A 40 -15.005 8.260 -9.098 1.00 0.00 C ATOM 610 C GLY A 40 -14.547 8.650 -7.705 1.00 0.00 C ATOM 611 O GLY A 40 -14.814 9.761 -7.247 1.00 0.00 O ATOM 0 H GLY A 40 -13.392 7.018 -9.588 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -14.746 9.053 -9.799 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -16.091 8.167 -9.109 1.00 0.00 H new ATOM 615 N SER A 41 -13.853 7.736 -7.032 1.00 0.00 N ATOM 616 CA SER A 41 -13.357 7.996 -5.689 1.00 0.00 C ATOM 617 C SER A 41 -12.300 9.095 -5.707 1.00 0.00 C ATOM 618 O SER A 41 -12.044 9.707 -6.744 1.00 0.00 O ATOM 619 CB SER A 41 -12.767 6.719 -5.084 1.00 0.00 C ATOM 620 OG SER A 41 -12.288 6.948 -3.770 1.00 0.00 O ATOM 0 H SER A 41 -13.623 6.811 -7.396 1.00 0.00 H new ATOM 0 HA SER A 41 -14.195 8.328 -5.076 1.00 0.00 H new ATOM 0 HB2 SER A 41 -13.527 5.937 -5.066 1.00 0.00 H new ATOM 0 HB3 SER A 41 -11.953 6.358 -5.713 1.00 0.00 H new ATOM 0 HG SER A 41 -12.066 6.091 -3.349 1.00 0.00 H new ATOM 626 N ALA A 42 -11.689 9.336 -4.553 1.00 0.00 N ATOM 627 CA ALA A 42 -10.653 10.349 -4.432 1.00 0.00 C ATOM 628 C ALA A 42 -9.286 9.735 -4.702 1.00 0.00 C ATOM 629 O ALA A 42 -8.690 9.114 -3.822 1.00 0.00 O ATOM 630 CB ALA A 42 -10.695 10.986 -3.049 1.00 0.00 C ATOM 0 H ALA A 42 -11.896 8.840 -3.686 1.00 0.00 H new ATOM 0 HA ALA A 42 -10.833 11.129 -5.172 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -9.914 11.742 -2.973 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -11.668 11.452 -2.892 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -10.533 10.220 -2.291 1.00 0.00 H new ATOM 636 N MET A 43 -8.803 9.892 -5.929 1.00 0.00 N ATOM 637 CA MET A 43 -7.517 9.345 -6.319 1.00 0.00 C ATOM 638 C MET A 43 -6.620 10.427 -6.876 1.00 0.00 C ATOM 639 O MET A 43 -6.789 10.867 -8.013 1.00 0.00 O ATOM 640 CB MET A 43 -7.691 8.238 -7.360 1.00 0.00 C ATOM 641 CG MET A 43 -8.678 8.574 -8.462 1.00 0.00 C ATOM 642 SD MET A 43 -7.915 8.554 -10.096 1.00 0.00 S ATOM 643 CE MET A 43 -7.354 6.856 -10.168 1.00 0.00 C ATOM 0 H MET A 43 -9.288 10.397 -6.671 1.00 0.00 H new ATOM 0 HA MET A 43 -7.052 8.924 -5.428 1.00 0.00 H new ATOM 0 HB2 MET A 43 -6.722 8.020 -7.809 1.00 0.00 H new ATOM 0 HB3 MET A 43 -8.020 7.329 -6.857 1.00 0.00 H new ATOM 0 HG2 MET A 43 -9.501 7.860 -8.439 1.00 0.00 H new ATOM 0 HG3 MET A 43 -9.106 9.559 -8.275 1.00 0.00 H new ATOM 0 HE1 MET A 43 -7.306 6.532 -11.208 1.00 0.00 H new ATOM 0 HE2 MET A 43 -6.364 6.781 -9.718 1.00 0.00 H new ATOM 0 HE3 MET A 43 -8.050 6.219 -9.622 1.00 0.00 H new ATOM 653 N THR A 44 -5.665 10.856 -6.069 1.00 0.00 N ATOM 654 CA THR A 44 -4.742 11.886 -6.491 1.00 0.00 C ATOM 655 C THR A 44 -3.874 11.380 -7.635 1.00 0.00 C ATOM 656 O THR A 44 -3.743 10.171 -7.839 1.00 0.00 O ATOM 657 CB THR A 44 -3.870 12.337 -5.321 1.00 0.00 C ATOM 658 OG1 THR A 44 -3.707 11.289 -4.382 1.00 0.00 O ATOM 659 CG2 THR A 44 -4.432 13.531 -4.583 1.00 0.00 C ATOM 0 H THR A 44 -5.512 10.507 -5.123 1.00 0.00 H new ATOM 0 HA THR A 44 -5.317 12.743 -6.842 1.00 0.00 H new ATOM 0 HB THR A 44 -2.916 12.620 -5.765 1.00 0.00 H new ATOM 0 HG1 THR A 44 -3.144 11.598 -3.642 1.00 0.00 H new ATOM 0 HG21 THR A 44 -3.765 13.800 -3.764 1.00 0.00 H new ATOM 0 HG22 THR A 44 -4.522 14.373 -5.269 1.00 0.00 H new ATOM 0 HG23 THR A 44 -5.415 13.282 -4.183 1.00 0.00 H new ATOM 667 N LYS A 45 -3.288 12.306 -8.379 1.00 0.00 N ATOM 668 CA LYS A 45 -2.433 11.950 -9.501 1.00 0.00 C ATOM 669 C LYS A 45 -0.994 11.746 -9.048 1.00 0.00 C ATOM 670 O LYS A 45 -0.218 11.052 -9.706 1.00 0.00 O ATOM 671 CB LYS A 45 -2.496 13.022 -10.577 1.00 0.00 C ATOM 672 CG LYS A 45 -3.577 12.777 -11.617 1.00 0.00 C ATOM 673 CD LYS A 45 -3.116 13.183 -13.008 1.00 0.00 C ATOM 674 CE LYS A 45 -2.669 11.980 -13.823 1.00 0.00 C ATOM 675 NZ LYS A 45 -1.344 11.460 -13.378 1.00 0.00 N ATOM 0 H LYS A 45 -3.389 13.309 -8.226 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.797 11.010 -9.917 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -2.670 13.989 -10.105 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -1.529 13.081 -11.077 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -3.851 11.722 -11.617 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.473 13.339 -11.351 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -3.928 13.693 -13.526 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -2.294 13.894 -12.926 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -3.415 11.189 -13.740 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -2.614 12.257 -14.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -1.079 10.641 -13.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -0.626 12.205 -13.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -1.402 11.171 -12.381 1.00 0.00 H new ATOM 689 N ASP A 46 -0.643 12.357 -7.920 1.00 0.00 N ATOM 690 CA ASP A 46 0.704 12.245 -7.369 1.00 0.00 C ATOM 691 C ASP A 46 1.187 10.800 -7.393 1.00 0.00 C ATOM 692 O ASP A 46 0.422 9.874 -7.127 1.00 0.00 O ATOM 693 CB ASP A 46 0.737 12.778 -5.937 1.00 0.00 C ATOM 694 CG ASP A 46 0.564 14.283 -5.876 1.00 0.00 C ATOM 695 OD1 ASP A 46 -0.215 14.824 -6.688 1.00 0.00 O ATOM 696 OD2 ASP A 46 1.209 14.920 -5.017 1.00 0.00 O ATOM 0 H ASP A 46 -1.275 12.937 -7.368 1.00 0.00 H new ATOM 0 HA ASP A 46 1.371 12.842 -7.990 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -0.052 12.301 -5.356 1.00 0.00 H new ATOM 0 HB3 ASP A 46 1.684 12.505 -5.472 1.00 0.00 H new ATOM 701 N PHE A 47 2.460 10.616 -7.718 1.00 0.00 N ATOM 702 CA PHE A 47 3.043 9.284 -7.785 1.00 0.00 C ATOM 703 C PHE A 47 3.497 8.809 -6.403 1.00 0.00 C ATOM 704 O PHE A 47 4.183 9.532 -5.682 1.00 0.00 O ATOM 705 CB PHE A 47 4.216 9.273 -8.764 1.00 0.00 C ATOM 706 CG PHE A 47 4.987 7.990 -8.750 1.00 0.00 C ATOM 707 CD1 PHE A 47 6.032 7.806 -7.861 1.00 0.00 C ATOM 708 CD2 PHE A 47 4.649 6.959 -9.606 1.00 0.00 C ATOM 709 CE1 PHE A 47 6.728 6.615 -7.828 1.00 0.00 C ATOM 710 CE2 PHE A 47 5.337 5.766 -9.574 1.00 0.00 C ATOM 711 CZ PHE A 47 6.376 5.593 -8.685 1.00 0.00 C ATOM 0 H PHE A 47 3.108 11.372 -7.939 1.00 0.00 H new ATOM 0 HA PHE A 47 2.277 8.595 -8.141 1.00 0.00 H new ATOM 0 HB2 PHE A 47 3.841 9.452 -9.772 1.00 0.00 H new ATOM 0 HB3 PHE A 47 4.889 10.096 -8.523 1.00 0.00 H new ATOM 0 HD1 PHE A 47 6.306 8.603 -7.186 1.00 0.00 H new ATOM 0 HD2 PHE A 47 3.838 7.090 -10.307 1.00 0.00 H new ATOM 0 HE1 PHE A 47 7.545 6.484 -7.134 1.00 0.00 H new ATOM 0 HE2 PHE A 47 5.062 4.966 -10.246 1.00 0.00 H new ATOM 0 HZ PHE A 47 6.915 4.657 -8.659 1.00 0.00 H new ATOM 721 N ARG A 48 3.103 7.588 -6.048 1.00 0.00 N ATOM 722 CA ARG A 48 3.459 7.002 -4.757 1.00 0.00 C ATOM 723 C ARG A 48 3.647 5.492 -4.885 1.00 0.00 C ATOM 724 O ARG A 48 2.686 4.755 -5.113 1.00 0.00 O ATOM 725 CB ARG A 48 2.375 7.299 -3.718 1.00 0.00 C ATOM 726 CG ARG A 48 2.443 8.705 -3.145 1.00 0.00 C ATOM 727 CD ARG A 48 1.368 8.927 -2.094 1.00 0.00 C ATOM 728 NE ARG A 48 1.598 8.114 -0.900 1.00 0.00 N ATOM 729 CZ ARG A 48 1.490 8.569 0.348 1.00 0.00 C ATOM 730 NH1 ARG A 48 1.140 9.828 0.583 1.00 0.00 N ATOM 731 NH2 ARG A 48 1.732 7.757 1.368 1.00 0.00 N ATOM 0 H ARG A 48 2.534 6.982 -6.640 1.00 0.00 H new ATOM 0 HA ARG A 48 4.398 7.448 -4.430 1.00 0.00 H new ATOM 0 HB2 ARG A 48 1.397 7.150 -4.175 1.00 0.00 H new ATOM 0 HB3 ARG A 48 2.459 6.580 -2.903 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.426 8.873 -2.704 1.00 0.00 H new ATOM 0 HG3 ARG A 48 2.325 9.433 -3.948 1.00 0.00 H new ATOM 0 HD2 ARG A 48 1.343 9.981 -1.817 1.00 0.00 H new ATOM 0 HD3 ARG A 48 0.392 8.685 -2.516 1.00 0.00 H new ATOM 0 HE ARG A 48 1.858 7.136 -1.031 1.00 0.00 H new ATOM 0 HH11 ARG A 48 0.950 10.459 -0.196 1.00 0.00 H new ATOM 0 HH12 ARG A 48 1.061 10.165 1.543 1.00 0.00 H new ATOM 0 HH21 ARG A 48 2.000 6.788 1.196 1.00 0.00 H new ATOM 0 HH22 ARG A 48 1.650 8.101 2.325 1.00 0.00 H new ATOM 745 N CYS A 49 4.890 5.039 -4.747 1.00 0.00 N ATOM 746 CA CYS A 49 5.203 3.616 -4.846 1.00 0.00 C ATOM 747 C CYS A 49 4.439 2.808 -3.805 1.00 0.00 C ATOM 748 O CYS A 49 3.990 1.696 -4.078 1.00 0.00 O ATOM 749 CB CYS A 49 6.704 3.382 -4.665 1.00 0.00 C ATOM 750 SG CYS A 49 7.730 3.996 -6.038 1.00 0.00 S ATOM 0 H CYS A 49 5.697 5.636 -4.566 1.00 0.00 H new ATOM 0 HA CYS A 49 4.900 3.284 -5.839 1.00 0.00 H new ATOM 0 HB2 CYS A 49 7.026 3.865 -3.742 1.00 0.00 H new ATOM 0 HB3 CYS A 49 6.881 2.313 -4.544 1.00 0.00 H new ATOM 755 N ASP A 50 4.298 3.363 -2.611 1.00 0.00 N ATOM 756 CA ASP A 50 3.595 2.667 -1.543 1.00 0.00 C ATOM 757 C ASP A 50 2.088 2.767 -1.714 1.00 0.00 C ATOM 758 O ASP A 50 1.337 2.138 -0.970 1.00 0.00 O ATOM 759 CB ASP A 50 3.994 3.228 -0.177 1.00 0.00 C ATOM 760 CG ASP A 50 3.804 4.729 -0.082 1.00 0.00 C ATOM 761 OD1 ASP A 50 4.355 5.455 -0.936 1.00 0.00 O ATOM 762 OD2 ASP A 50 3.106 5.181 0.850 1.00 0.00 O ATOM 0 H ASP A 50 4.657 4.284 -2.358 1.00 0.00 H new ATOM 0 HA ASP A 50 3.881 1.617 -1.597 1.00 0.00 H new ATOM 0 HB2 ASP A 50 3.402 2.741 0.598 1.00 0.00 H new ATOM 0 HB3 ASP A 50 5.038 2.985 0.020 1.00 0.00 H new ATOM 767 N ARG A 51 1.644 3.550 -2.695 1.00 0.00 N ATOM 768 CA ARG A 51 0.223 3.720 -2.936 1.00 0.00 C ATOM 769 C ARG A 51 -0.171 3.251 -4.327 1.00 0.00 C ATOM 770 O ARG A 51 0.098 3.923 -5.322 1.00 0.00 O ATOM 771 CB ARG A 51 -0.170 5.186 -2.754 1.00 0.00 C ATOM 772 CG ARG A 51 -1.664 5.400 -2.585 1.00 0.00 C ATOM 773 CD ARG A 51 -2.042 6.860 -2.768 1.00 0.00 C ATOM 774 NE ARG A 51 -1.963 7.279 -4.166 1.00 0.00 N ATOM 775 CZ ARG A 51 -1.706 8.525 -4.557 1.00 0.00 C ATOM 776 NH1 ARG A 51 -1.499 9.485 -3.661 1.00 0.00 N ATOM 777 NH2 ARG A 51 -1.662 8.815 -5.850 1.00 0.00 N ATOM 0 H ARG A 51 2.248 4.072 -3.330 1.00 0.00 H new ATOM 0 HA ARG A 51 -0.310 3.106 -2.210 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.347 5.586 -1.882 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.175 5.755 -3.617 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -2.204 4.790 -3.309 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -1.971 5.065 -1.594 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -3.055 7.020 -2.399 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -1.381 7.483 -2.166 1.00 0.00 H new ATOM 0 HE ARG A 51 -2.114 6.573 -4.886 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -1.536 9.269 -2.665 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -1.303 10.437 -3.970 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -1.825 8.084 -6.542 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -1.465 9.769 -6.152 1.00 0.00 H new ATOM 791 N VAL A 52 -0.827 2.103 -4.383 1.00 0.00 N ATOM 792 CA VAL A 52 -1.292 1.550 -5.644 1.00 0.00 C ATOM 793 C VAL A 52 -2.802 1.714 -5.727 1.00 0.00 C ATOM 794 O VAL A 52 -3.531 1.200 -4.880 1.00 0.00 O ATOM 795 CB VAL A 52 -0.923 0.057 -5.785 1.00 0.00 C ATOM 796 CG1 VAL A 52 -1.387 -0.489 -7.127 1.00 0.00 C ATOM 797 CG2 VAL A 52 0.579 -0.142 -5.611 1.00 0.00 C ATOM 0 H VAL A 52 -1.050 1.534 -3.566 1.00 0.00 H new ATOM 0 HA VAL A 52 -0.804 2.088 -6.456 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.435 -0.498 -4.999 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.117 -1.542 -7.205 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.469 -0.385 -7.207 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -0.908 0.069 -7.932 1.00 0.00 H new ATOM 0 HG21 VAL A 52 0.820 -1.200 -5.714 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.112 0.427 -6.373 1.00 0.00 H new ATOM 0 HG23 VAL A 52 0.880 0.204 -4.622 1.00 0.00 H new ATOM 807 N TRP A 53 -3.275 2.447 -6.731 1.00 0.00 N ATOM 808 CA TRP A 53 -4.708 2.688 -6.873 1.00 0.00 C ATOM 809 C TRP A 53 -5.403 1.477 -7.472 1.00 0.00 C ATOM 810 O TRP A 53 -4.910 0.868 -8.421 1.00 0.00 O ATOM 811 CB TRP A 53 -4.980 3.902 -7.776 1.00 0.00 C ATOM 812 CG TRP A 53 -4.831 5.258 -7.135 1.00 0.00 C ATOM 813 CD1 TRP A 53 -4.320 6.379 -7.721 1.00 0.00 C ATOM 814 CD2 TRP A 53 -5.217 5.647 -5.815 1.00 0.00 C ATOM 815 NE1 TRP A 53 -4.377 7.438 -6.847 1.00 0.00 N ATOM 816 CE2 TRP A 53 -4.907 7.008 -5.666 1.00 0.00 C ATOM 817 CE3 TRP A 53 -5.788 4.975 -4.748 1.00 0.00 C ATOM 818 CZ2 TRP A 53 -5.152 7.705 -4.488 1.00 0.00 C ATOM 819 CZ3 TRP A 53 -6.034 5.660 -3.577 1.00 0.00 C ATOM 820 CH2 TRP A 53 -5.714 7.015 -3.453 1.00 0.00 C ATOM 0 H TRP A 53 -2.696 2.880 -7.450 1.00 0.00 H new ATOM 0 HA TRP A 53 -5.100 2.883 -5.875 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -4.305 3.851 -8.630 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -5.994 3.818 -8.166 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -3.928 6.427 -8.726 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -4.073 8.390 -7.049 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -6.038 3.928 -4.832 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -4.907 8.753 -4.395 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -6.481 5.141 -2.742 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -5.915 7.525 -2.522 1.00 0.00 H new ATOM 831 N VAL A 54 -6.556 1.134 -6.909 1.00 0.00 N ATOM 832 CA VAL A 54 -7.326 0.005 -7.385 1.00 0.00 C ATOM 833 C VAL A 54 -8.765 0.433 -7.664 1.00 0.00 C ATOM 834 O VAL A 54 -9.645 0.286 -6.817 1.00 0.00 O ATOM 835 CB VAL A 54 -7.298 -1.148 -6.360 1.00 0.00 C ATOM 836 CG1 VAL A 54 -8.321 -2.222 -6.706 1.00 0.00 C ATOM 837 CG2 VAL A 54 -5.901 -1.744 -6.272 1.00 0.00 C ATOM 0 H VAL A 54 -6.974 1.627 -6.120 1.00 0.00 H new ATOM 0 HA VAL A 54 -6.878 -0.353 -8.312 1.00 0.00 H new ATOM 0 HB VAL A 54 -7.565 -0.739 -5.385 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -8.276 -3.020 -5.965 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -9.320 -1.786 -6.709 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -8.101 -2.630 -7.692 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.897 -2.556 -5.545 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.608 -2.130 -7.248 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.196 -0.974 -5.959 1.00 0.00 H new ATOM 847 N ILE A 55 -8.985 0.982 -8.856 1.00 0.00 N ATOM 848 CA ILE A 55 -10.306 1.455 -9.260 1.00 0.00 C ATOM 849 C ILE A 55 -11.183 0.303 -9.712 1.00 0.00 C ATOM 850 O ILE A 55 -10.843 -0.434 -10.640 1.00 0.00 O ATOM 851 CB ILE A 55 -10.203 2.491 -10.397 1.00 0.00 C ATOM 852 CG1 ILE A 55 -9.191 3.581 -10.036 1.00 0.00 C ATOM 853 CG2 ILE A 55 -11.565 3.102 -10.688 1.00 0.00 C ATOM 854 CD1 ILE A 55 -8.303 3.986 -11.192 1.00 0.00 C ATOM 0 H ILE A 55 -8.261 1.111 -9.563 1.00 0.00 H new ATOM 0 HA ILE A 55 -10.758 1.928 -8.388 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.857 1.983 -11.297 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -9.727 4.459 -9.675 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.567 3.229 -9.215 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -11.472 3.831 -11.493 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -12.260 2.317 -10.987 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -11.941 3.597 -9.792 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -7.611 4.762 -10.865 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -7.740 3.120 -11.539 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -8.918 4.369 -12.007 1.00 0.00 H new ATOM 866 N VAL A 56 -12.314 0.151 -9.040 1.00 0.00 N ATOM 867 CA VAL A 56 -13.246 -0.908 -9.361 1.00 0.00 C ATOM 868 C VAL A 56 -14.603 -0.339 -9.761 1.00 0.00 C ATOM 869 O VAL A 56 -14.917 0.814 -9.472 1.00 0.00 O ATOM 870 CB VAL A 56 -13.423 -1.879 -8.177 1.00 0.00 C ATOM 871 CG1 VAL A 56 -12.127 -2.629 -7.890 1.00 0.00 C ATOM 872 CG2 VAL A 56 -13.893 -1.133 -6.939 1.00 0.00 C ATOM 0 H VAL A 56 -12.605 0.751 -8.268 1.00 0.00 H new ATOM 0 HA VAL A 56 -12.828 -1.458 -10.204 1.00 0.00 H new ATOM 0 HB VAL A 56 -14.185 -2.610 -8.450 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -12.278 -3.308 -7.051 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -11.835 -3.201 -8.771 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -11.341 -1.916 -7.643 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -14.012 -1.836 -6.114 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -13.156 -0.377 -6.668 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -14.848 -0.651 -7.146 1.00 0.00 H new ATOM 882 N ASN A 57 -15.405 -1.155 -10.434 1.00 0.00 N ATOM 883 CA ASN A 57 -16.725 -0.726 -10.877 1.00 0.00 C ATOM 884 C ASN A 57 -17.739 -0.793 -9.740 1.00 0.00 C ATOM 885 O ASN A 57 -17.378 -1.008 -8.582 1.00 0.00 O ATOM 886 CB ASN A 57 -17.193 -1.581 -12.057 1.00 0.00 C ATOM 887 CG ASN A 57 -17.363 -3.041 -11.686 1.00 0.00 C ATOM 888 OD1 ASN A 57 -17.364 -3.401 -10.509 1.00 0.00 O ATOM 889 ND2 ASN A 57 -17.505 -3.893 -12.695 1.00 0.00 N ATOM 0 H ASN A 57 -15.165 -2.114 -10.684 1.00 0.00 H new ATOM 0 HA ASN A 57 -16.650 0.312 -11.200 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -18.140 -1.192 -12.430 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -16.472 -1.498 -12.870 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -17.621 -4.889 -12.509 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -17.498 -3.551 -13.656 1.00 0.00 H new ATOM 896 N ASP A 58 -19.007 -0.592 -10.078 1.00 0.00 N ATOM 897 CA ASP A 58 -20.082 -0.613 -9.092 1.00 0.00 C ATOM 898 C ASP A 58 -20.178 -1.968 -8.393 1.00 0.00 C ATOM 899 O ASP A 58 -20.759 -2.076 -7.313 1.00 0.00 O ATOM 900 CB ASP A 58 -21.418 -0.282 -9.762 1.00 0.00 C ATOM 901 CG ASP A 58 -22.257 0.677 -8.940 1.00 0.00 C ATOM 902 OD1 ASP A 58 -23.038 0.201 -8.088 1.00 0.00 O ATOM 903 OD2 ASP A 58 -22.133 1.902 -9.147 1.00 0.00 O ATOM 0 H ASP A 58 -19.318 -0.412 -11.033 1.00 0.00 H new ATOM 0 HA ASP A 58 -19.854 0.141 -8.339 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -21.231 0.154 -10.743 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -21.978 -1.203 -9.924 1.00 0.00 H new ATOM 908 N HIS A 59 -19.626 -3.003 -9.019 1.00 0.00 N ATOM 909 CA HIS A 59 -19.671 -4.350 -8.455 1.00 0.00 C ATOM 910 C HIS A 59 -18.412 -4.675 -7.653 1.00 0.00 C ATOM 911 O HIS A 59 -18.338 -5.719 -7.003 1.00 0.00 O ATOM 912 CB HIS A 59 -19.856 -5.380 -9.570 1.00 0.00 C ATOM 913 CG HIS A 59 -21.161 -6.107 -9.497 1.00 0.00 C ATOM 914 ND1 HIS A 59 -21.718 -6.532 -8.309 1.00 0.00 N ATOM 915 CD2 HIS A 59 -22.028 -6.475 -10.470 1.00 0.00 C ATOM 916 CE1 HIS A 59 -22.870 -7.129 -8.554 1.00 0.00 C ATOM 917 NE2 HIS A 59 -23.081 -7.107 -9.857 1.00 0.00 N ATOM 0 H HIS A 59 -19.143 -2.936 -9.915 1.00 0.00 H new ATOM 0 HA HIS A 59 -20.520 -4.391 -7.772 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -19.782 -4.878 -10.534 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -19.042 -6.104 -9.524 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -21.913 -6.303 -11.530 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -23.528 -7.562 -7.814 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -23.895 -7.497 -10.332 1.00 0.00 H new ATOM 926 N GLY A 60 -17.422 -3.791 -7.703 1.00 0.00 N ATOM 927 CA GLY A 60 -16.189 -4.028 -6.978 1.00 0.00 C ATOM 928 C GLY A 60 -15.162 -4.750 -7.828 1.00 0.00 C ATOM 929 O GLY A 60 -14.261 -5.407 -7.305 1.00 0.00 O ATOM 0 H GLY A 60 -17.451 -2.918 -8.230 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -15.777 -3.076 -6.642 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -16.400 -4.617 -6.086 1.00 0.00 H new ATOM 933 N VAL A 61 -15.300 -4.619 -9.145 1.00 0.00 N ATOM 934 CA VAL A 61 -14.382 -5.251 -10.085 1.00 0.00 C ATOM 935 C VAL A 61 -13.310 -4.263 -10.522 1.00 0.00 C ATOM 936 O VAL A 61 -13.611 -3.119 -10.837 1.00 0.00 O ATOM 937 CB VAL A 61 -15.126 -5.769 -11.333 1.00 0.00 C ATOM 938 CG1 VAL A 61 -14.177 -6.521 -12.253 1.00 0.00 C ATOM 939 CG2 VAL A 61 -16.300 -6.650 -10.931 1.00 0.00 C ATOM 0 H VAL A 61 -16.043 -4.077 -9.586 1.00 0.00 H new ATOM 0 HA VAL A 61 -13.921 -6.096 -9.574 1.00 0.00 H new ATOM 0 HB VAL A 61 -15.516 -4.910 -11.878 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -14.723 -6.877 -13.126 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -13.376 -5.855 -12.573 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -13.751 -7.371 -11.720 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -16.812 -7.005 -11.826 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -15.936 -7.503 -10.359 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -16.995 -6.074 -10.320 1.00 0.00 H new ATOM 949 N VAL A 62 -12.058 -4.703 -10.527 1.00 0.00 N ATOM 950 CA VAL A 62 -10.954 -3.841 -10.926 1.00 0.00 C ATOM 951 C VAL A 62 -11.032 -3.511 -12.410 1.00 0.00 C ATOM 952 O VAL A 62 -10.733 -4.348 -13.263 1.00 0.00 O ATOM 953 CB VAL A 62 -9.590 -4.486 -10.616 1.00 0.00 C ATOM 954 CG1 VAL A 62 -8.454 -3.529 -10.944 1.00 0.00 C ATOM 955 CG2 VAL A 62 -9.525 -4.916 -9.158 1.00 0.00 C ATOM 0 H VAL A 62 -11.783 -5.648 -10.260 1.00 0.00 H new ATOM 0 HA VAL A 62 -11.042 -2.922 -10.347 1.00 0.00 H new ATOM 0 HB VAL A 62 -9.479 -5.371 -11.242 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -7.500 -4.005 -10.717 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -8.489 -3.272 -12.003 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -8.558 -2.623 -10.347 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -8.555 -5.370 -8.955 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -9.660 -4.046 -8.516 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -10.314 -5.641 -8.957 1.00 0.00 H new ATOM 965 N THR A 63 -11.450 -2.286 -12.709 1.00 0.00 N ATOM 966 CA THR A 63 -11.580 -1.839 -14.089 1.00 0.00 C ATOM 967 C THR A 63 -10.271 -1.250 -14.601 1.00 0.00 C ATOM 968 O THR A 63 -9.938 -1.386 -15.779 1.00 0.00 O ATOM 969 CB THR A 63 -12.693 -0.797 -14.209 1.00 0.00 C ATOM 970 OG1 THR A 63 -12.319 0.409 -13.567 1.00 0.00 O ATOM 971 CG2 THR A 63 -14.008 -1.246 -13.609 1.00 0.00 C ATOM 0 H THR A 63 -11.705 -1.585 -12.013 1.00 0.00 H new ATOM 0 HA THR A 63 -11.832 -2.708 -14.698 1.00 0.00 H new ATOM 0 HB THR A 63 -12.835 -0.651 -15.280 1.00 0.00 H new ATOM 0 HG1 THR A 63 -12.524 1.168 -14.152 1.00 0.00 H new ATOM 0 HG21 THR A 63 -14.751 -0.458 -13.730 1.00 0.00 H new ATOM 0 HG22 THR A 63 -14.350 -2.148 -14.116 1.00 0.00 H new ATOM 0 HG23 THR A 63 -13.871 -1.456 -12.548 1.00 0.00 H new ATOM 979 N SER A 64 -9.538 -0.585 -13.718 1.00 0.00 N ATOM 980 CA SER A 64 -8.274 0.032 -14.094 1.00 0.00 C ATOM 981 C SER A 64 -7.088 -0.838 -13.697 1.00 0.00 C ATOM 982 O SER A 64 -7.187 -1.668 -12.795 1.00 0.00 O ATOM 983 CB SER A 64 -8.144 1.408 -13.447 1.00 0.00 C ATOM 984 OG SER A 64 -7.503 2.323 -14.318 1.00 0.00 O ATOM 0 H SER A 64 -9.796 -0.459 -12.739 1.00 0.00 H new ATOM 0 HA SER A 64 -8.269 0.139 -15.179 1.00 0.00 H new ATOM 0 HB2 SER A 64 -9.132 1.784 -13.183 1.00 0.00 H new ATOM 0 HB3 SER A 64 -7.577 1.325 -12.520 1.00 0.00 H new ATOM 0 HG SER A 64 -7.434 3.197 -13.881 1.00 0.00 H new ATOM 990 N VAL A 65 -5.967 -0.626 -14.379 1.00 0.00 N ATOM 991 CA VAL A 65 -4.741 -1.376 -14.117 1.00 0.00 C ATOM 992 C VAL A 65 -4.101 -0.964 -12.794 1.00 0.00 C ATOM 993 O VAL A 65 -3.493 0.103 -12.705 1.00 0.00 O ATOM 994 CB VAL A 65 -3.705 -1.150 -15.230 1.00 0.00 C ATOM 995 CG1 VAL A 65 -2.605 -2.198 -15.162 1.00 0.00 C ATOM 996 CG2 VAL A 65 -4.365 -1.143 -16.602 1.00 0.00 C ATOM 0 H VAL A 65 -5.881 0.065 -15.124 1.00 0.00 H new ATOM 0 HA VAL A 65 -5.028 -2.427 -14.076 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.253 -0.171 -15.074 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -1.883 -2.019 -15.958 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -2.103 -2.137 -14.196 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -3.040 -3.190 -15.282 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -3.608 -0.981 -17.369 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -4.857 -2.100 -16.774 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -5.103 -0.342 -16.646 1.00 0.00 H new ATOM 1006 N PRO A 66 -4.192 -1.807 -11.749 1.00 0.00 N ATOM 1007 CA PRO A 66 -3.581 -1.498 -10.458 1.00 0.00 C ATOM 1008 C PRO A 66 -2.085 -1.277 -10.607 1.00 0.00 C ATOM 1009 O PRO A 66 -1.325 -2.222 -10.773 1.00 0.00 O ATOM 1010 CB PRO A 66 -3.858 -2.741 -9.606 1.00 0.00 C ATOM 1011 CG PRO A 66 -4.993 -3.427 -10.281 1.00 0.00 C ATOM 1012 CD PRO A 66 -4.854 -3.121 -11.746 1.00 0.00 C ATOM 0 HA PRO A 66 -3.982 -0.586 -10.016 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -2.981 -3.387 -9.554 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -4.114 -2.468 -8.582 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -4.960 -4.502 -10.103 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -5.948 -3.069 -9.897 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -4.258 -3.874 -12.261 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.823 -3.086 -12.245 1.00 0.00 H new ATOM 1019 N HIS A 67 -1.670 -0.024 -10.577 1.00 0.00 N ATOM 1020 CA HIS A 67 -0.269 0.313 -10.728 1.00 0.00 C ATOM 1021 C HIS A 67 0.157 1.381 -9.733 1.00 0.00 C ATOM 1022 O HIS A 67 -0.595 2.305 -9.425 1.00 0.00 O ATOM 1023 CB HIS A 67 0.013 0.793 -12.152 1.00 0.00 C ATOM 1024 CG HIS A 67 -0.740 2.033 -12.531 1.00 0.00 C ATOM 1025 ND1 HIS A 67 -0.488 2.739 -13.688 1.00 0.00 N ATOM 1026 CD2 HIS A 67 -1.744 2.691 -11.903 1.00 0.00 C ATOM 1027 CE1 HIS A 67 -1.304 3.778 -13.754 1.00 0.00 C ATOM 1028 NE2 HIS A 67 -2.075 3.769 -12.684 1.00 0.00 N ATOM 0 H HIS A 67 -2.286 0.779 -10.449 1.00 0.00 H new ATOM 0 HA HIS A 67 0.309 -0.589 -10.529 1.00 0.00 H new ATOM 0 HB2 HIS A 67 1.081 0.981 -12.258 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -0.241 -0.004 -12.851 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -2.199 2.418 -10.962 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -1.334 4.509 -14.549 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -2.801 4.454 -12.471 1.00 0.00 H new ATOM 1037 N ILE A 68 1.384 1.244 -9.253 1.00 0.00 N ATOM 1038 CA ILE A 68 1.973 2.180 -8.311 1.00 0.00 C ATOM 1039 C ILE A 68 1.636 3.624 -8.700 1.00 0.00 C ATOM 1040 O ILE A 68 2.146 4.149 -9.691 1.00 0.00 O ATOM 1041 CB ILE A 68 3.507 1.952 -8.259 1.00 0.00 C ATOM 1042 CG1 ILE A 68 3.877 1.142 -7.018 1.00 0.00 C ATOM 1043 CG2 ILE A 68 4.282 3.257 -8.295 1.00 0.00 C ATOM 1044 CD1 ILE A 68 5.327 0.709 -6.985 1.00 0.00 C ATOM 0 H ILE A 68 2.002 0.474 -9.509 1.00 0.00 H new ATOM 0 HA ILE A 68 1.558 2.008 -7.318 1.00 0.00 H new ATOM 0 HB ILE A 68 3.785 1.390 -9.150 1.00 0.00 H new ATOM 0 HG12 ILE A 68 3.664 1.737 -6.130 1.00 0.00 H new ATOM 0 HG13 ILE A 68 3.242 0.258 -6.969 1.00 0.00 H new ATOM 0 HG21 ILE A 68 5.351 3.047 -8.256 1.00 0.00 H new ATOM 0 HG22 ILE A 68 4.050 3.792 -9.216 1.00 0.00 H new ATOM 0 HG23 ILE A 68 4.002 3.870 -7.439 1.00 0.00 H new ATOM 0 HD11 ILE A 68 5.516 0.139 -6.075 1.00 0.00 H new ATOM 0 HD12 ILE A 68 5.541 0.087 -7.854 1.00 0.00 H new ATOM 0 HD13 ILE A 68 5.970 1.589 -7.002 1.00 0.00 H new ATOM 1056 N THR A 69 0.748 4.247 -7.929 1.00 0.00 N ATOM 1057 CA THR A 69 0.326 5.618 -8.202 1.00 0.00 C ATOM 1058 C THR A 69 -0.225 6.283 -6.945 1.00 0.00 C ATOM 1059 O THR A 69 0.550 6.975 -6.257 1.00 0.00 O ATOM 1060 CB THR A 69 -0.731 5.636 -9.310 1.00 0.00 C ATOM 1061 OG1 THR A 69 -0.168 5.241 -10.547 1.00 0.00 O ATOM 1062 CG2 THR A 69 -1.372 6.993 -9.511 1.00 0.00 C ATOM 1063 OXT THR A 69 -1.432 6.120 -6.668 1.00 0.00 O ATOM 0 H THR A 69 0.307 3.825 -7.112 1.00 0.00 H new ATOM 0 HA THR A 69 1.199 6.181 -8.532 1.00 0.00 H new ATOM 0 HB THR A 69 -1.500 4.936 -8.982 1.00 0.00 H new ATOM 0 HG1 THR A 69 0.805 5.165 -10.454 1.00 0.00 H new ATOM 0 HG21 THR A 69 -2.110 6.932 -10.311 1.00 0.00 H new ATOM 0 HG22 THR A 69 -1.862 7.304 -8.588 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.606 7.721 -9.779 1.00 0.00 H new TER 1071 THR A 69