USER MOD reduce.3.24.130724 H: found=0, std=0, add=742, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 738 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 18 ASN : amide:sc= -0.201 X(o=-0.27,f=-0.35) USER MOD Set 1.2: A 47 TYR OH : rot 180:sc= -0.0674 USER MOD Single : A 1 ALA N :NH3+ -105:sc= 0.106 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= -1.09 K(o=-1.1,f=-0.2) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 MET CE :methyl -149:sc= -0.333 (180deg=-1.99!) USER MOD Single : A 14 ASN : amide:sc= -1.57 K(o=-1.6,f=-2.8!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 HIS : no HE2:sc= 0.0148 K(o=0.015,f=-1.5) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= -0.679 USER MOD Single : A 35 ASN : amide:sc= -0.0347 X(o=-0.035,f=-0.25) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 HIS : no HD1:sc= 0 X(o=0,f=-0.097) USER MOD Single : A 51 SER OG : rot 180:sc= -0.0252 USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -0.477 X(o=-0.48,f=-0.49) USER MOD Single : A 61 ASN : amide:sc= -1.68! K(o=-1.7!,f=-0.48) USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= -0.0572 X(o=-0.057,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -0.309 K(o=-0.31,f=-2.1!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot -66:sc= 0.817 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 MET CE :methyl -123:sc= 0 (180deg=-0.0973) USER MOD Single : A 78 SER OG : rot 180:sc= -0.22 USER MOD Single : A 79 ASN : amide:sc= -0.337 X(o=-0.34,f=0) USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= 0.3 K(o=0.3,f=-1.2) USER MOD Single : A 91 HIS : no HD1:sc= -0.0143 X(o=-0.014,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -17.127 12.715 -8.307 1.00 0.00 N ATOM 2 CA ALA A 1 -16.479 12.760 -6.966 1.00 0.00 C ATOM 3 C ALA A 1 -15.027 13.217 -7.119 1.00 0.00 C ATOM 4 O ALA A 1 -14.447 13.121 -8.185 1.00 0.00 O ATOM 5 CB ALA A 1 -16.510 11.367 -6.335 1.00 0.00 C ATOM 0 H1 ALA A 1 -17.767 13.528 -8.411 1.00 0.00 H new ATOM 0 H2 ALA A 1 -16.397 12.753 -9.047 1.00 0.00 H new ATOM 0 H3 ALA A 1 -17.670 11.833 -8.401 1.00 0.00 H new ATOM 0 HA ALA A 1 -17.017 13.459 -6.326 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -16.036 11.401 -5.354 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -17.544 11.039 -6.227 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -15.972 10.666 -6.974 1.00 0.00 H new ATOM 13 N ARG A 2 -14.438 13.718 -6.062 1.00 0.00 N ATOM 14 CA ARG A 2 -13.023 14.187 -6.142 1.00 0.00 C ATOM 15 C ARG A 2 -12.319 13.948 -4.797 1.00 0.00 C ATOM 16 O ARG A 2 -12.397 14.774 -3.908 1.00 0.00 O ATOM 17 CB ARG A 2 -12.999 15.682 -6.479 1.00 0.00 C ATOM 18 CG ARG A 2 -13.880 16.457 -5.489 1.00 0.00 C ATOM 19 CD ARG A 2 -14.690 17.520 -6.237 1.00 0.00 C ATOM 20 NE ARG A 2 -15.800 18.004 -5.368 1.00 0.00 N ATOM 21 CZ ARG A 2 -15.569 18.920 -4.468 1.00 0.00 C ATOM 22 NH1 ARG A 2 -15.329 20.148 -4.837 1.00 0.00 N ATOM 23 NH2 ARG A 2 -15.575 18.607 -3.202 1.00 0.00 N ATOM 0 H ARG A 2 -14.877 13.822 -5.147 1.00 0.00 H new ATOM 0 HA ARG A 2 -12.502 13.631 -6.921 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -11.976 16.056 -6.438 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -13.356 15.840 -7.497 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -14.552 15.772 -4.972 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -13.259 16.929 -4.728 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -14.045 18.352 -6.518 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -15.092 17.103 -7.160 1.00 0.00 H new ATOM 0 HE ARG A 2 -16.739 17.620 -5.477 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -15.322 20.391 -5.828 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -15.148 20.865 -4.135 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -15.760 17.646 -2.915 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -15.394 19.323 -2.499 1.00 0.00 H new ATOM 37 N PRO A 3 -11.640 12.821 -4.694 1.00 0.00 N ATOM 38 CA PRO A 3 -10.926 12.539 -3.424 1.00 0.00 C ATOM 39 C PRO A 3 -9.461 12.986 -3.525 1.00 0.00 C ATOM 40 O PRO A 3 -8.781 12.717 -4.498 1.00 0.00 O ATOM 41 CB PRO A 3 -11.031 11.024 -3.242 1.00 0.00 C ATOM 42 CG PRO A 3 -11.286 10.439 -4.641 1.00 0.00 C ATOM 43 CD PRO A 3 -11.832 11.586 -5.505 1.00 0.00 C ATOM 0 HA PRO A 3 -11.353 13.076 -2.577 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -10.115 10.619 -2.812 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -11.842 10.769 -2.560 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -10.366 10.038 -5.066 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -12.000 9.617 -4.593 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -11.298 11.652 -6.453 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -12.885 11.432 -5.742 1.00 0.00 H new ATOM 51 N ALA A 4 -8.981 13.680 -2.523 1.00 0.00 N ATOM 52 CA ALA A 4 -7.571 14.175 -2.535 1.00 0.00 C ATOM 53 C ALA A 4 -6.585 13.005 -2.618 1.00 0.00 C ATOM 54 O ALA A 4 -5.618 13.053 -3.358 1.00 0.00 O ATOM 55 CB ALA A 4 -7.307 14.969 -1.255 1.00 0.00 C ATOM 0 H ALA A 4 -9.513 13.927 -1.688 1.00 0.00 H new ATOM 0 HA ALA A 4 -7.430 14.811 -3.409 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -6.280 15.333 -1.258 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -7.992 15.816 -1.204 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -7.461 14.325 -0.389 1.00 0.00 H new ATOM 61 N PHE A 5 -6.809 11.964 -1.857 1.00 0.00 N ATOM 62 CA PHE A 5 -5.874 10.794 -1.877 1.00 0.00 C ATOM 63 C PHE A 5 -5.712 10.258 -3.307 1.00 0.00 C ATOM 64 O PHE A 5 -4.605 10.067 -3.775 1.00 0.00 O ATOM 65 CB PHE A 5 -6.422 9.686 -0.971 1.00 0.00 C ATOM 66 CG PHE A 5 -5.443 8.535 -0.926 1.00 0.00 C ATOM 67 CD1 PHE A 5 -4.261 8.643 -0.181 1.00 0.00 C ATOM 68 CD2 PHE A 5 -5.715 7.363 -1.640 1.00 0.00 C ATOM 69 CE1 PHE A 5 -3.353 7.575 -0.151 1.00 0.00 C ATOM 70 CE2 PHE A 5 -4.807 6.297 -1.611 1.00 0.00 C ATOM 71 CZ PHE A 5 -3.627 6.404 -0.866 1.00 0.00 C ATOM 0 H PHE A 5 -7.601 11.872 -1.220 1.00 0.00 H new ATOM 0 HA PHE A 5 -4.899 11.118 -1.513 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -6.589 10.074 0.034 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -7.387 9.342 -1.344 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -4.050 9.548 0.369 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -6.626 7.280 -2.214 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -2.442 7.656 0.424 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -5.017 5.393 -2.163 1.00 0.00 H new ATOM 0 HZ PHE A 5 -2.927 5.582 -0.843 1.00 0.00 H new ATOM 81 N VAL A 6 -6.797 10.003 -3.996 1.00 0.00 N ATOM 82 CA VAL A 6 -6.685 9.467 -5.386 1.00 0.00 C ATOM 83 C VAL A 6 -6.028 10.516 -6.287 1.00 0.00 C ATOM 84 O VAL A 6 -5.385 10.181 -7.266 1.00 0.00 O ATOM 85 CB VAL A 6 -8.068 9.099 -5.928 1.00 0.00 C ATOM 86 CG1 VAL A 6 -7.907 8.373 -7.267 1.00 0.00 C ATOM 87 CG2 VAL A 6 -8.773 8.169 -4.936 1.00 0.00 C ATOM 0 H VAL A 6 -7.749 10.142 -3.658 1.00 0.00 H new ATOM 0 HA VAL A 6 -6.070 8.567 -5.372 1.00 0.00 H new ATOM 0 HB VAL A 6 -8.659 10.005 -6.065 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -8.890 8.108 -7.658 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -7.398 9.026 -7.976 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -7.318 7.467 -7.121 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -9.758 7.906 -5.321 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -8.182 7.263 -4.803 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -8.881 8.675 -3.977 1.00 0.00 H new ATOM 97 N ASN A 7 -6.158 11.783 -5.962 1.00 0.00 N ATOM 98 CA ASN A 7 -5.508 12.836 -6.801 1.00 0.00 C ATOM 99 C ASN A 7 -3.991 12.663 -6.709 1.00 0.00 C ATOM 100 O ASN A 7 -3.273 12.886 -7.665 1.00 0.00 O ATOM 101 CB ASN A 7 -5.922 14.229 -6.320 1.00 0.00 C ATOM 102 CG ASN A 7 -7.285 14.582 -6.925 1.00 0.00 C ATOM 103 OD1 ASN A 7 -7.424 14.646 -8.129 1.00 0.00 O ATOM 104 ND2 ASN A 7 -8.301 14.815 -6.143 1.00 0.00 N ATOM 0 H ASN A 7 -6.682 12.128 -5.158 1.00 0.00 H new ATOM 0 HA ASN A 7 -5.826 12.733 -7.839 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -5.976 14.251 -5.232 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -5.176 14.967 -6.616 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -9.209 15.050 -6.543 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -8.188 14.762 -5.131 1.00 0.00 H new ATOM 111 N LYS A 8 -3.508 12.227 -5.572 1.00 0.00 N ATOM 112 CA LYS A 8 -2.039 11.988 -5.419 1.00 0.00 C ATOM 113 C LYS A 8 -1.694 10.645 -6.078 1.00 0.00 C ATOM 114 O LYS A 8 -0.593 10.429 -6.547 1.00 0.00 O ATOM 115 CB LYS A 8 -1.663 11.914 -3.929 1.00 0.00 C ATOM 116 CG LYS A 8 -2.287 13.081 -3.154 1.00 0.00 C ATOM 117 CD LYS A 8 -2.262 12.764 -1.653 1.00 0.00 C ATOM 118 CE LYS A 8 -2.515 14.045 -0.852 1.00 0.00 C ATOM 119 NZ LYS A 8 -1.612 14.079 0.333 1.00 0.00 N ATOM 0 H LYS A 8 -4.067 12.026 -4.743 1.00 0.00 H new ATOM 0 HA LYS A 8 -1.490 12.805 -5.887 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -2.005 10.968 -3.509 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -0.579 11.938 -3.821 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -1.736 14.000 -3.352 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -3.312 13.246 -3.486 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -3.022 12.019 -1.416 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -1.298 12.335 -1.378 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -2.341 14.919 -1.480 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -3.556 14.085 -0.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -1.785 14.949 0.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -1.799 13.252 0.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -0.622 14.060 0.016 1.00 0.00 H new ATOM 133 N LEU A 9 -2.641 9.740 -6.105 1.00 0.00 N ATOM 134 CA LEU A 9 -2.418 8.396 -6.712 1.00 0.00 C ATOM 135 C LEU A 9 -2.007 8.532 -8.183 1.00 0.00 C ATOM 136 O LEU A 9 -0.982 8.040 -8.594 1.00 0.00 O ATOM 137 CB LEU A 9 -3.736 7.613 -6.627 1.00 0.00 C ATOM 138 CG LEU A 9 -3.578 6.209 -7.218 1.00 0.00 C ATOM 139 CD1 LEU A 9 -2.939 5.282 -6.183 1.00 0.00 C ATOM 140 CD2 LEU A 9 -4.961 5.680 -7.608 1.00 0.00 C ATOM 0 H LEU A 9 -3.576 9.881 -5.724 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.621 7.879 -6.177 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.054 7.540 -5.587 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.518 8.151 -7.162 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.937 6.247 -8.099 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.828 4.284 -6.607 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.959 5.669 -5.904 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -3.574 5.232 -5.298 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.862 4.680 -8.031 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.597 5.639 -6.724 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.409 6.344 -8.347 1.00 0.00 H new ATOM 152 N TRP A 10 -2.822 9.168 -8.981 1.00 0.00 N ATOM 153 CA TRP A 10 -2.518 9.310 -10.442 1.00 0.00 C ATOM 154 C TRP A 10 -1.091 9.833 -10.690 1.00 0.00 C ATOM 155 O TRP A 10 -0.543 9.640 -11.760 1.00 0.00 O ATOM 156 CB TRP A 10 -3.526 10.275 -11.067 1.00 0.00 C ATOM 157 CG TRP A 10 -4.813 9.552 -11.316 1.00 0.00 C ATOM 158 CD1 TRP A 10 -4.973 8.528 -12.184 1.00 0.00 C ATOM 159 CD2 TRP A 10 -6.116 9.777 -10.705 1.00 0.00 C ATOM 160 NE1 TRP A 10 -6.293 8.112 -12.142 1.00 0.00 N ATOM 161 CE2 TRP A 10 -7.036 8.853 -11.249 1.00 0.00 C ATOM 162 CE3 TRP A 10 -6.584 10.688 -9.743 1.00 0.00 C ATOM 163 CZ2 TRP A 10 -8.375 8.831 -10.853 1.00 0.00 C ATOM 164 CZ3 TRP A 10 -7.928 10.667 -9.340 1.00 0.00 C ATOM 165 CH2 TRP A 10 -8.821 9.742 -9.894 1.00 0.00 C ATOM 0 H TRP A 10 -3.696 9.601 -8.683 1.00 0.00 H new ATOM 0 HA TRP A 10 -2.591 8.323 -10.898 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -3.694 11.123 -10.404 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -3.133 10.675 -12.002 1.00 0.00 H new ATOM 0 HD1 TRP A 10 -4.199 8.104 -12.807 1.00 0.00 H new ATOM 0 HE1 TRP A 10 -6.670 7.349 -12.704 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -5.905 11.409 -9.311 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -9.059 8.116 -11.285 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -8.276 11.369 -8.597 1.00 0.00 H new ATOM 0 HH2 TRP A 10 -9.854 9.733 -9.580 1.00 0.00 H new ATOM 176 N SER A 11 -0.491 10.496 -9.732 1.00 0.00 N ATOM 177 CA SER A 11 0.891 11.033 -9.945 1.00 0.00 C ATOM 178 C SER A 11 1.946 10.031 -9.459 1.00 0.00 C ATOM 179 O SER A 11 3.040 9.972 -9.988 1.00 0.00 O ATOM 180 CB SER A 11 1.048 12.342 -9.170 1.00 0.00 C ATOM 181 OG SER A 11 -0.207 13.002 -9.102 1.00 0.00 O ATOM 0 H SER A 11 -0.895 10.688 -8.816 1.00 0.00 H new ATOM 0 HA SER A 11 1.037 11.205 -11.011 1.00 0.00 H new ATOM 0 HB2 SER A 11 1.420 12.141 -8.166 1.00 0.00 H new ATOM 0 HB3 SER A 11 1.782 12.982 -9.660 1.00 0.00 H new ATOM 0 HG SER A 11 -0.109 13.840 -8.604 1.00 0.00 H new ATOM 187 N MET A 12 1.636 9.263 -8.448 1.00 0.00 N ATOM 188 CA MET A 12 2.628 8.280 -7.911 1.00 0.00 C ATOM 189 C MET A 12 2.739 7.061 -8.830 1.00 0.00 C ATOM 190 O MET A 12 3.819 6.630 -9.182 1.00 0.00 O ATOM 191 CB MET A 12 2.165 7.804 -6.535 1.00 0.00 C ATOM 192 CG MET A 12 2.660 8.763 -5.442 1.00 0.00 C ATOM 193 SD MET A 12 3.354 7.830 -4.044 1.00 0.00 S ATOM 194 CE MET A 12 2.037 6.593 -3.871 1.00 0.00 C ATOM 0 H MET A 12 0.736 9.273 -7.968 1.00 0.00 H new ATOM 0 HA MET A 12 3.599 8.770 -7.847 1.00 0.00 H new ATOM 0 HB2 MET A 12 1.077 7.745 -6.511 1.00 0.00 H new ATOM 0 HB3 MET A 12 2.543 6.799 -6.345 1.00 0.00 H new ATOM 0 HG2 MET A 12 3.417 9.432 -5.852 1.00 0.00 H new ATOM 0 HG3 MET A 12 1.836 9.387 -5.097 1.00 0.00 H new ATOM 0 HE1 MET A 12 1.953 6.295 -2.826 1.00 0.00 H new ATOM 0 HE2 MET A 12 1.091 7.020 -4.204 1.00 0.00 H new ATOM 0 HE3 MET A 12 2.275 5.720 -4.479 1.00 0.00 H new ATOM 204 N VAL A 13 1.623 6.487 -9.186 1.00 0.00 N ATOM 205 CA VAL A 13 1.631 5.264 -10.048 1.00 0.00 C ATOM 206 C VAL A 13 1.918 5.619 -11.516 1.00 0.00 C ATOM 207 O VAL A 13 1.955 4.743 -12.361 1.00 0.00 O ATOM 208 CB VAL A 13 0.274 4.540 -9.969 1.00 0.00 C ATOM 209 CG1 VAL A 13 0.482 3.063 -10.296 1.00 0.00 C ATOM 210 CG2 VAL A 13 -0.328 4.651 -8.561 1.00 0.00 C ATOM 0 H VAL A 13 0.695 6.814 -8.916 1.00 0.00 H new ATOM 0 HA VAL A 13 2.421 4.611 -9.678 1.00 0.00 H new ATOM 0 HB VAL A 13 -0.409 5.004 -10.681 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -0.473 2.541 -10.243 1.00 0.00 H new ATOM 0 HG12 VAL A 13 0.893 2.967 -11.301 1.00 0.00 H new ATOM 0 HG13 VAL A 13 1.175 2.625 -9.578 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.286 4.131 -8.533 1.00 0.00 H new ATOM 0 HG22 VAL A 13 0.351 4.199 -7.838 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -0.478 5.701 -8.311 1.00 0.00 H new ATOM 220 N ASN A 14 2.131 6.879 -11.841 1.00 0.00 N ATOM 221 CA ASN A 14 2.422 7.253 -13.265 1.00 0.00 C ATOM 222 C ASN A 14 3.596 6.416 -13.787 1.00 0.00 C ATOM 223 O ASN A 14 3.670 6.103 -14.955 1.00 0.00 O ATOM 224 CB ASN A 14 2.783 8.738 -13.344 1.00 0.00 C ATOM 225 CG ASN A 14 2.583 9.233 -14.779 1.00 0.00 C ATOM 226 OD1 ASN A 14 3.174 8.709 -15.703 1.00 0.00 O ATOM 227 ND2 ASN A 14 1.768 10.227 -15.007 1.00 0.00 N ATOM 0 H ASN A 14 2.115 7.659 -11.184 1.00 0.00 H new ATOM 0 HA ASN A 14 1.539 7.061 -13.874 1.00 0.00 H new ATOM 0 HB2 ASN A 14 2.159 9.312 -12.659 1.00 0.00 H new ATOM 0 HB3 ASN A 14 3.818 8.889 -13.036 1.00 0.00 H new ATOM 0 HD21 ASN A 14 1.628 10.563 -15.960 1.00 0.00 H new ATOM 0 HD22 ASN A 14 1.272 10.667 -14.232 1.00 0.00 H new ATOM 234 N ASP A 15 4.502 6.046 -12.908 1.00 0.00 N ATOM 235 CA ASP A 15 5.694 5.208 -13.284 1.00 0.00 C ATOM 236 C ASP A 15 6.825 6.072 -13.888 1.00 0.00 C ATOM 237 O ASP A 15 7.987 5.789 -13.676 1.00 0.00 O ATOM 238 CB ASP A 15 5.269 4.033 -14.222 1.00 0.00 C ATOM 239 CG ASP A 15 5.572 4.308 -15.709 1.00 0.00 C ATOM 240 OD1 ASP A 15 6.740 4.403 -16.049 1.00 0.00 O ATOM 241 OD2 ASP A 15 4.630 4.407 -16.478 1.00 0.00 O ATOM 0 H ASP A 15 4.464 6.296 -11.920 1.00 0.00 H new ATOM 0 HA ASP A 15 6.101 4.763 -12.376 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.786 3.124 -13.914 1.00 0.00 H new ATOM 0 HB3 ASP A 15 4.201 3.848 -14.103 1.00 0.00 H new ATOM 246 N LYS A 16 6.510 7.104 -14.640 1.00 0.00 N ATOM 247 CA LYS A 16 7.586 7.949 -15.251 1.00 0.00 C ATOM 248 C LYS A 16 8.553 8.461 -14.174 1.00 0.00 C ATOM 249 O LYS A 16 9.694 8.769 -14.457 1.00 0.00 O ATOM 250 CB LYS A 16 6.950 9.137 -15.985 1.00 0.00 C ATOM 251 CG LYS A 16 6.125 9.987 -15.009 1.00 0.00 C ATOM 252 CD LYS A 16 6.251 11.467 -15.386 1.00 0.00 C ATOM 253 CE LYS A 16 5.224 11.822 -16.469 1.00 0.00 C ATOM 254 NZ LYS A 16 4.312 12.885 -15.959 1.00 0.00 N ATOM 0 H LYS A 16 5.557 7.396 -14.855 1.00 0.00 H new ATOM 0 HA LYS A 16 8.149 7.340 -15.958 1.00 0.00 H new ATOM 0 HB2 LYS A 16 7.727 9.749 -16.443 1.00 0.00 H new ATOM 0 HB3 LYS A 16 6.312 8.776 -16.792 1.00 0.00 H new ATOM 0 HG2 LYS A 16 5.079 9.681 -15.038 1.00 0.00 H new ATOM 0 HG3 LYS A 16 6.474 9.830 -13.989 1.00 0.00 H new ATOM 0 HD2 LYS A 16 6.093 12.090 -14.505 1.00 0.00 H new ATOM 0 HD3 LYS A 16 7.258 11.674 -15.747 1.00 0.00 H new ATOM 0 HE2 LYS A 16 5.733 12.166 -17.369 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.650 10.937 -16.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 3.615 13.126 -16.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 3.817 12.541 -15.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 4.866 13.731 -15.716 1.00 0.00 H new ATOM 268 N SER A 17 8.108 8.551 -12.946 1.00 0.00 N ATOM 269 CA SER A 17 9.003 9.038 -11.855 1.00 0.00 C ATOM 270 C SER A 17 9.582 7.838 -11.106 1.00 0.00 C ATOM 271 O SER A 17 10.701 7.868 -10.632 1.00 0.00 O ATOM 272 CB SER A 17 8.203 9.910 -10.887 1.00 0.00 C ATOM 273 OG SER A 17 8.255 11.263 -11.322 1.00 0.00 O ATOM 0 H SER A 17 7.162 8.308 -12.653 1.00 0.00 H new ATOM 0 HA SER A 17 9.814 9.628 -12.283 1.00 0.00 H new ATOM 0 HB2 SER A 17 7.168 9.570 -10.843 1.00 0.00 H new ATOM 0 HB3 SER A 17 8.610 9.824 -9.880 1.00 0.00 H new ATOM 0 HG SER A 17 7.742 11.825 -10.705 1.00 0.00 H new ATOM 279 N ASN A 18 8.821 6.779 -11.003 1.00 0.00 N ATOM 280 CA ASN A 18 9.306 5.556 -10.293 1.00 0.00 C ATOM 281 C ASN A 18 9.242 4.378 -11.276 1.00 0.00 C ATOM 282 O ASN A 18 8.626 3.361 -11.018 1.00 0.00 O ATOM 283 CB ASN A 18 8.413 5.272 -9.075 1.00 0.00 C ATOM 284 CG ASN A 18 8.124 6.571 -8.312 1.00 0.00 C ATOM 285 OD1 ASN A 18 9.023 7.181 -7.768 1.00 0.00 O ATOM 286 ND2 ASN A 18 6.899 7.020 -8.248 1.00 0.00 N ATOM 0 H ASN A 18 7.877 6.708 -11.383 1.00 0.00 H new ATOM 0 HA ASN A 18 10.329 5.701 -9.945 1.00 0.00 H new ATOM 0 HB2 ASN A 18 7.477 4.817 -9.400 1.00 0.00 H new ATOM 0 HB3 ASN A 18 8.903 4.556 -8.415 1.00 0.00 H new ATOM 0 HD21 ASN A 18 6.698 7.882 -7.742 1.00 0.00 H new ATOM 0 HD22 ASN A 18 6.144 6.508 -8.704 1.00 0.00 H new ATOM 293 N GLU A 19 9.859 4.538 -12.419 1.00 0.00 N ATOM 294 CA GLU A 19 9.835 3.475 -13.468 1.00 0.00 C ATOM 295 C GLU A 19 10.368 2.141 -12.933 1.00 0.00 C ATOM 296 O GLU A 19 10.051 1.092 -13.464 1.00 0.00 O ATOM 297 CB GLU A 19 10.701 3.924 -14.649 1.00 0.00 C ATOM 298 CG GLU A 19 10.073 5.150 -15.313 1.00 0.00 C ATOM 299 CD GLU A 19 10.826 5.471 -16.606 1.00 0.00 C ATOM 300 OE1 GLU A 19 11.988 5.831 -16.517 1.00 0.00 O ATOM 301 OE2 GLU A 19 10.228 5.350 -17.661 1.00 0.00 O ATOM 0 H GLU A 19 10.386 5.373 -12.673 1.00 0.00 H new ATOM 0 HA GLU A 19 8.801 3.325 -13.780 1.00 0.00 H new ATOM 0 HB2 GLU A 19 11.708 4.161 -14.305 1.00 0.00 H new ATOM 0 HB3 GLU A 19 10.794 3.114 -15.373 1.00 0.00 H new ATOM 0 HG2 GLU A 19 9.021 4.961 -15.529 1.00 0.00 H new ATOM 0 HG3 GLU A 19 10.111 6.003 -14.636 1.00 0.00 H new ATOM 308 N LYS A 20 11.182 2.162 -11.907 1.00 0.00 N ATOM 309 CA LYS A 20 11.740 0.880 -11.372 1.00 0.00 C ATOM 310 C LYS A 20 11.210 0.611 -9.959 1.00 0.00 C ATOM 311 O LYS A 20 11.942 0.170 -9.091 1.00 0.00 O ATOM 312 CB LYS A 20 13.271 0.966 -11.345 1.00 0.00 C ATOM 313 CG LYS A 20 13.720 2.143 -10.460 1.00 0.00 C ATOM 314 CD LYS A 20 14.550 3.144 -11.282 1.00 0.00 C ATOM 315 CE LYS A 20 13.780 4.458 -11.433 1.00 0.00 C ATOM 316 NZ LYS A 20 14.641 5.465 -12.115 1.00 0.00 N ATOM 0 H LYS A 20 11.483 3.005 -11.419 1.00 0.00 H new ATOM 0 HA LYS A 20 11.429 0.060 -12.019 1.00 0.00 H new ATOM 0 HB2 LYS A 20 13.689 0.034 -10.963 1.00 0.00 H new ATOM 0 HB3 LYS A 20 13.653 1.096 -12.357 1.00 0.00 H new ATOM 0 HG2 LYS A 20 12.848 2.643 -10.039 1.00 0.00 H new ATOM 0 HG3 LYS A 20 14.311 1.772 -9.622 1.00 0.00 H new ATOM 0 HD2 LYS A 20 15.506 3.327 -10.791 1.00 0.00 H new ATOM 0 HD3 LYS A 20 14.771 2.727 -12.264 1.00 0.00 H new ATOM 0 HE2 LYS A 20 12.869 4.294 -12.009 1.00 0.00 H new ATOM 0 HE3 LYS A 20 13.476 4.828 -10.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 14.117 6.358 -12.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 15.498 5.629 -11.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 14.910 5.112 -13.056 1.00 0.00 H new ATOM 330 N PHE A 21 9.947 0.863 -9.723 1.00 0.00 N ATOM 331 CA PHE A 21 9.377 0.612 -8.366 1.00 0.00 C ATOM 332 C PHE A 21 7.925 0.144 -8.496 1.00 0.00 C ATOM 333 O PHE A 21 7.592 -0.972 -8.147 1.00 0.00 O ATOM 334 CB PHE A 21 9.415 1.903 -7.554 1.00 0.00 C ATOM 335 CG PHE A 21 10.819 2.164 -7.061 1.00 0.00 C ATOM 336 CD1 PHE A 21 11.306 1.473 -5.947 1.00 0.00 C ATOM 337 CD2 PHE A 21 11.630 3.101 -7.714 1.00 0.00 C ATOM 338 CE1 PHE A 21 12.603 1.718 -5.484 1.00 0.00 C ATOM 339 CE2 PHE A 21 12.928 3.345 -7.251 1.00 0.00 C ATOM 340 CZ PHE A 21 13.415 2.652 -6.136 1.00 0.00 C ATOM 0 H PHE A 21 9.288 1.231 -10.410 1.00 0.00 H new ATOM 0 HA PHE A 21 9.965 -0.157 -7.865 1.00 0.00 H new ATOM 0 HB2 PHE A 21 9.075 2.738 -8.167 1.00 0.00 H new ATOM 0 HB3 PHE A 21 8.732 1.830 -6.708 1.00 0.00 H new ATOM 0 HD1 PHE A 21 10.681 0.750 -5.444 1.00 0.00 H new ATOM 0 HD2 PHE A 21 11.254 3.635 -8.574 1.00 0.00 H new ATOM 0 HE1 PHE A 21 12.978 1.186 -4.622 1.00 0.00 H new ATOM 0 HE2 PHE A 21 13.554 4.068 -7.754 1.00 0.00 H new ATOM 0 HZ PHE A 21 14.417 2.839 -5.779 1.00 0.00 H new ATOM 350 N ILE A 22 7.062 0.995 -8.990 1.00 0.00 N ATOM 351 CA ILE A 22 5.627 0.618 -9.141 1.00 0.00 C ATOM 352 C ILE A 22 5.243 0.657 -10.625 1.00 0.00 C ATOM 353 O ILE A 22 5.605 1.570 -11.343 1.00 0.00 O ATOM 354 CB ILE A 22 4.767 1.605 -8.337 1.00 0.00 C ATOM 355 CG1 ILE A 22 3.285 1.234 -8.468 1.00 0.00 C ATOM 356 CG2 ILE A 22 4.985 3.029 -8.855 1.00 0.00 C ATOM 357 CD1 ILE A 22 2.476 2.003 -7.422 1.00 0.00 C ATOM 0 H ILE A 22 7.293 1.940 -9.297 1.00 0.00 H new ATOM 0 HA ILE A 22 5.460 -0.391 -8.765 1.00 0.00 H new ATOM 0 HB ILE A 22 5.060 1.554 -7.288 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.926 1.472 -9.469 1.00 0.00 H new ATOM 0 HG13 ILE A 22 3.153 0.161 -8.329 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.372 3.723 -8.280 1.00 0.00 H new ATOM 0 HG22 ILE A 22 6.036 3.298 -8.748 1.00 0.00 H new ATOM 0 HG23 ILE A 22 4.703 3.081 -9.907 1.00 0.00 H new ATOM 0 HD11 ILE A 22 1.422 1.741 -7.513 1.00 0.00 H new ATOM 0 HD12 ILE A 22 2.830 1.742 -6.425 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.599 3.074 -7.582 1.00 0.00 H new ATOM 369 N HIS A 23 4.512 -0.329 -11.085 1.00 0.00 N ATOM 370 CA HIS A 23 4.100 -0.361 -12.520 1.00 0.00 C ATOM 371 C HIS A 23 2.719 -1.011 -12.641 1.00 0.00 C ATOM 372 O HIS A 23 2.411 -1.966 -11.952 1.00 0.00 O ATOM 373 CB HIS A 23 5.117 -1.174 -13.322 1.00 0.00 C ATOM 374 CG HIS A 23 5.064 -0.763 -14.769 1.00 0.00 C ATOM 375 ND1 HIS A 23 3.995 -1.082 -15.589 1.00 0.00 N ATOM 376 CD2 HIS A 23 5.944 -0.062 -15.556 1.00 0.00 C ATOM 377 CE1 HIS A 23 4.255 -0.579 -16.810 1.00 0.00 C ATOM 378 NE2 HIS A 23 5.431 0.052 -16.845 1.00 0.00 N ATOM 0 H HIS A 23 4.183 -1.115 -10.525 1.00 0.00 H new ATOM 0 HA HIS A 23 4.058 0.656 -12.909 1.00 0.00 H new ATOM 0 HB2 HIS A 23 6.119 -1.015 -12.925 1.00 0.00 H new ATOM 0 HB3 HIS A 23 4.902 -2.238 -13.228 1.00 0.00 H new ATOM 0 HD1 HIS A 23 3.162 -1.604 -15.317 1.00 0.00 H new ATOM 0 HD2 HIS A 23 6.890 0.340 -15.225 1.00 0.00 H new ATOM 0 HE1 HIS A 23 3.593 -0.674 -17.658 1.00 0.00 H new ATOM 386 N TRP A 24 1.884 -0.498 -13.512 1.00 0.00 N ATOM 387 CA TRP A 24 0.516 -1.079 -13.687 1.00 0.00 C ATOM 388 C TRP A 24 0.627 -2.541 -14.127 1.00 0.00 C ATOM 389 O TRP A 24 1.680 -3.001 -14.525 1.00 0.00 O ATOM 390 CB TRP A 24 -0.239 -0.291 -14.761 1.00 0.00 C ATOM 391 CG TRP A 24 -0.641 1.043 -14.220 1.00 0.00 C ATOM 392 CD1 TRP A 24 0.192 2.095 -14.048 1.00 0.00 C ATOM 393 CD2 TRP A 24 -1.958 1.487 -13.782 1.00 0.00 C ATOM 394 NE1 TRP A 24 -0.531 3.157 -13.533 1.00 0.00 N ATOM 395 CE2 TRP A 24 -1.860 2.831 -13.352 1.00 0.00 C ATOM 396 CE3 TRP A 24 -3.216 0.860 -13.718 1.00 0.00 C ATOM 397 CZ2 TRP A 24 -2.969 3.529 -12.874 1.00 0.00 C ATOM 398 CZ3 TRP A 24 -4.336 1.560 -13.238 1.00 0.00 C ATOM 399 CH2 TRP A 24 -4.212 2.892 -12.817 1.00 0.00 C ATOM 0 H TRP A 24 2.092 0.301 -14.111 1.00 0.00 H new ATOM 0 HA TRP A 24 -0.020 -1.022 -12.740 1.00 0.00 H new ATOM 0 HB2 TRP A 24 0.391 -0.162 -15.641 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -1.122 -0.846 -15.079 1.00 0.00 H new ATOM 0 HD1 TRP A 24 1.248 2.105 -14.275 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -0.131 4.069 -13.314 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -3.321 -0.166 -14.040 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -2.868 4.554 -12.550 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -5.297 1.070 -13.193 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -5.076 3.425 -12.449 1.00 0.00 H new ATOM 410 N SER A 25 -0.459 -3.268 -14.066 1.00 0.00 N ATOM 411 CA SER A 25 -0.433 -4.699 -14.488 1.00 0.00 C ATOM 412 C SER A 25 -0.160 -4.794 -15.996 1.00 0.00 C ATOM 413 O SER A 25 0.215 -5.837 -16.497 1.00 0.00 O ATOM 414 CB SER A 25 -1.782 -5.347 -14.174 1.00 0.00 C ATOM 415 OG SER A 25 -1.799 -6.669 -14.694 1.00 0.00 O ATOM 0 H SER A 25 -1.365 -2.930 -13.741 1.00 0.00 H new ATOM 0 HA SER A 25 0.358 -5.218 -13.947 1.00 0.00 H new ATOM 0 HB2 SER A 25 -1.948 -5.365 -13.097 1.00 0.00 H new ATOM 0 HB3 SER A 25 -2.591 -4.761 -14.611 1.00 0.00 H new ATOM 0 HG SER A 25 -2.662 -7.088 -14.493 1.00 0.00 H new ATOM 421 N THR A 26 -0.342 -3.715 -16.726 1.00 0.00 N ATOM 422 CA THR A 26 -0.091 -3.742 -18.199 1.00 0.00 C ATOM 423 C THR A 26 -1.051 -4.731 -18.865 1.00 0.00 C ATOM 424 O THR A 26 -0.667 -5.503 -19.723 1.00 0.00 O ATOM 425 CB THR A 26 1.356 -4.168 -18.465 1.00 0.00 C ATOM 426 OG1 THR A 26 2.211 -3.554 -17.509 1.00 0.00 O ATOM 427 CG2 THR A 26 1.770 -3.742 -19.874 1.00 0.00 C ATOM 0 H THR A 26 -0.655 -2.816 -16.360 1.00 0.00 H new ATOM 0 HA THR A 26 -0.255 -2.747 -18.613 1.00 0.00 H new ATOM 0 HB THR A 26 1.436 -5.252 -18.382 1.00 0.00 H new ATOM 0 HG1 THR A 26 3.137 -3.826 -17.676 1.00 0.00 H new ATOM 0 HG21 THR A 26 2.800 -4.047 -20.058 1.00 0.00 H new ATOM 0 HG22 THR A 26 1.115 -4.216 -20.605 1.00 0.00 H new ATOM 0 HG23 THR A 26 1.691 -2.659 -19.965 1.00 0.00 H new ATOM 435 N SER A 27 -2.301 -4.708 -18.475 1.00 0.00 N ATOM 436 CA SER A 27 -3.295 -5.641 -19.081 1.00 0.00 C ATOM 437 C SER A 27 -4.711 -5.151 -18.771 1.00 0.00 C ATOM 438 O SER A 27 -5.469 -4.814 -19.661 1.00 0.00 O ATOM 439 CB SER A 27 -3.088 -7.047 -18.503 1.00 0.00 C ATOM 440 OG SER A 27 -2.795 -7.948 -19.562 1.00 0.00 O ATOM 0 H SER A 27 -2.675 -4.082 -17.762 1.00 0.00 H new ATOM 0 HA SER A 27 -3.159 -5.673 -20.162 1.00 0.00 H new ATOM 0 HB2 SER A 27 -2.273 -7.040 -17.780 1.00 0.00 H new ATOM 0 HB3 SER A 27 -3.983 -7.370 -17.971 1.00 0.00 H new ATOM 0 HG SER A 27 -2.660 -8.848 -19.198 1.00 0.00 H new ATOM 446 N GLY A 28 -5.069 -5.113 -17.514 1.00 0.00 N ATOM 447 CA GLY A 28 -6.434 -4.649 -17.130 1.00 0.00 C ATOM 448 C GLY A 28 -6.319 -3.424 -16.220 1.00 0.00 C ATOM 449 O GLY A 28 -6.358 -2.297 -16.677 1.00 0.00 O ATOM 0 H GLY A 28 -4.471 -5.385 -16.734 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -7.009 -4.400 -18.022 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -6.970 -5.447 -16.617 1.00 0.00 H new ATOM 453 N GLU A 29 -6.180 -3.640 -14.936 1.00 0.00 N ATOM 454 CA GLU A 29 -6.062 -2.491 -13.987 1.00 0.00 C ATOM 455 C GLU A 29 -5.666 -3.006 -12.601 1.00 0.00 C ATOM 456 O GLU A 29 -6.504 -3.408 -11.815 1.00 0.00 O ATOM 457 CB GLU A 29 -7.406 -1.762 -13.891 1.00 0.00 C ATOM 458 CG GLU A 29 -8.532 -2.773 -13.606 1.00 0.00 C ATOM 459 CD GLU A 29 -9.433 -2.949 -14.840 1.00 0.00 C ATOM 460 OE1 GLU A 29 -9.054 -2.498 -15.911 1.00 0.00 O ATOM 461 OE2 GLU A 29 -10.488 -3.540 -14.690 1.00 0.00 O ATOM 0 H GLU A 29 -6.143 -4.563 -14.504 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.299 -1.803 -14.351 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -7.368 -1.014 -13.099 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -7.609 -1.231 -14.821 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -8.101 -3.734 -13.324 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -9.129 -2.431 -12.760 1.00 0.00 H new ATOM 468 N SER A 30 -4.393 -2.988 -12.291 1.00 0.00 N ATOM 469 CA SER A 30 -3.935 -3.467 -10.953 1.00 0.00 C ATOM 470 C SER A 30 -2.545 -2.901 -10.659 1.00 0.00 C ATOM 471 O SER A 30 -1.760 -2.662 -11.557 1.00 0.00 O ATOM 472 CB SER A 30 -3.874 -4.996 -10.945 1.00 0.00 C ATOM 473 OG SER A 30 -4.847 -5.514 -11.841 1.00 0.00 O ATOM 0 H SER A 30 -3.651 -2.661 -12.909 1.00 0.00 H new ATOM 0 HA SER A 30 -4.636 -3.130 -10.190 1.00 0.00 H new ATOM 0 HB2 SER A 30 -2.879 -5.332 -11.238 1.00 0.00 H new ATOM 0 HB3 SER A 30 -4.054 -5.372 -9.938 1.00 0.00 H new ATOM 0 HG SER A 30 -4.807 -6.493 -11.837 1.00 0.00 H new ATOM 479 N ILE A 31 -2.237 -2.688 -9.405 1.00 0.00 N ATOM 480 CA ILE A 31 -0.897 -2.137 -9.041 1.00 0.00 C ATOM 481 C ILE A 31 0.038 -3.287 -8.656 1.00 0.00 C ATOM 482 O ILE A 31 -0.226 -4.024 -7.725 1.00 0.00 O ATOM 483 CB ILE A 31 -1.046 -1.175 -7.859 1.00 0.00 C ATOM 484 CG1 ILE A 31 -2.072 -0.095 -8.211 1.00 0.00 C ATOM 485 CG2 ILE A 31 0.301 -0.514 -7.561 1.00 0.00 C ATOM 486 CD1 ILE A 31 -2.558 0.580 -6.927 1.00 0.00 C ATOM 0 H ILE A 31 -2.857 -2.872 -8.616 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.478 -1.600 -9.892 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.380 -1.729 -6.982 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.625 0.643 -8.877 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.914 -0.537 -8.744 1.00 0.00 H new ATOM 0 HG21 ILE A 31 0.192 0.170 -6.719 1.00 0.00 H new ATOM 0 HG22 ILE A 31 1.035 -1.280 -7.313 1.00 0.00 H new ATOM 0 HG23 ILE A 31 0.636 0.040 -8.438 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -3.289 1.350 -7.175 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.020 -0.163 -6.278 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -1.712 1.035 -6.413 1.00 0.00 H new ATOM 498 N VAL A 32 1.128 -3.448 -9.365 1.00 0.00 N ATOM 499 CA VAL A 32 2.079 -4.552 -9.042 1.00 0.00 C ATOM 500 C VAL A 32 3.296 -3.982 -8.308 1.00 0.00 C ATOM 501 O VAL A 32 3.910 -3.029 -8.749 1.00 0.00 O ATOM 502 CB VAL A 32 2.534 -5.239 -10.335 1.00 0.00 C ATOM 503 CG1 VAL A 32 3.419 -6.445 -9.992 1.00 0.00 C ATOM 504 CG2 VAL A 32 1.308 -5.714 -11.123 1.00 0.00 C ATOM 0 H VAL A 32 1.399 -2.861 -10.154 1.00 0.00 H new ATOM 0 HA VAL A 32 1.580 -5.281 -8.404 1.00 0.00 H new ATOM 0 HB VAL A 32 3.102 -4.531 -10.939 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.742 -6.933 -10.912 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.293 -6.108 -9.434 1.00 0.00 H new ATOM 0 HG13 VAL A 32 2.852 -7.152 -9.386 1.00 0.00 H new ATOM 0 HG21 VAL A 32 1.633 -6.202 -12.042 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.738 -6.420 -10.519 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.680 -4.858 -11.369 1.00 0.00 H new ATOM 514 N VAL A 33 3.646 -4.568 -7.193 1.00 0.00 N ATOM 515 CA VAL A 33 4.823 -4.079 -6.416 1.00 0.00 C ATOM 516 C VAL A 33 5.757 -5.259 -6.115 1.00 0.00 C ATOM 517 O VAL A 33 5.560 -5.964 -5.144 1.00 0.00 O ATOM 518 CB VAL A 33 4.344 -3.453 -5.100 1.00 0.00 C ATOM 519 CG1 VAL A 33 5.540 -2.889 -4.319 1.00 0.00 C ATOM 520 CG2 VAL A 33 3.355 -2.325 -5.410 1.00 0.00 C ATOM 0 H VAL A 33 3.164 -5.369 -6.785 1.00 0.00 H new ATOM 0 HA VAL A 33 5.359 -3.329 -6.997 1.00 0.00 H new ATOM 0 HB VAL A 33 3.855 -4.216 -4.495 1.00 0.00 H new ATOM 0 HG11 VAL A 33 5.190 -2.447 -3.386 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.242 -3.693 -4.098 1.00 0.00 H new ATOM 0 HG13 VAL A 33 6.038 -2.126 -4.917 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.011 -1.876 -4.478 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.848 -1.566 -6.018 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.502 -2.729 -5.955 1.00 0.00 H new ATOM 530 N PRO A 34 6.750 -5.437 -6.962 1.00 0.00 N ATOM 531 CA PRO A 34 7.685 -6.562 -6.725 1.00 0.00 C ATOM 532 C PRO A 34 8.637 -6.222 -5.574 1.00 0.00 C ATOM 533 O PRO A 34 9.126 -7.098 -4.886 1.00 0.00 O ATOM 534 CB PRO A 34 8.456 -6.711 -8.036 1.00 0.00 C ATOM 535 CG PRO A 34 8.359 -5.351 -8.751 1.00 0.00 C ATOM 536 CD PRO A 34 7.156 -4.617 -8.136 1.00 0.00 C ATOM 0 HA PRO A 34 7.170 -7.482 -6.448 1.00 0.00 H new ATOM 0 HB2 PRO A 34 9.496 -6.978 -7.847 1.00 0.00 H new ATOM 0 HB3 PRO A 34 8.030 -7.504 -8.650 1.00 0.00 H new ATOM 0 HG2 PRO A 34 9.275 -4.776 -8.615 1.00 0.00 H new ATOM 0 HG3 PRO A 34 8.223 -5.486 -9.824 1.00 0.00 H new ATOM 0 HD2 PRO A 34 7.426 -3.605 -7.834 1.00 0.00 H new ATOM 0 HD3 PRO A 34 6.341 -4.529 -8.854 1.00 0.00 H new ATOM 544 N ASN A 35 8.902 -4.956 -5.364 1.00 0.00 N ATOM 545 CA ASN A 35 9.820 -4.551 -4.260 1.00 0.00 C ATOM 546 C ASN A 35 9.161 -3.446 -3.428 1.00 0.00 C ATOM 547 O ASN A 35 9.476 -2.280 -3.565 1.00 0.00 O ATOM 548 CB ASN A 35 11.134 -4.035 -4.853 1.00 0.00 C ATOM 549 CG ASN A 35 11.774 -5.127 -5.713 1.00 0.00 C ATOM 550 OD1 ASN A 35 11.877 -6.263 -5.296 1.00 0.00 O ATOM 551 ND2 ASN A 35 12.210 -4.828 -6.906 1.00 0.00 N ATOM 0 H ASN A 35 8.520 -4.185 -5.912 1.00 0.00 H new ATOM 0 HA ASN A 35 10.025 -5.411 -3.622 1.00 0.00 H new ATOM 0 HB2 ASN A 35 10.948 -3.146 -5.456 1.00 0.00 H new ATOM 0 HB3 ASN A 35 11.815 -3.742 -4.054 1.00 0.00 H new ATOM 0 HD21 ASN A 35 12.637 -5.548 -7.488 1.00 0.00 H new ATOM 0 HD22 ASN A 35 12.124 -3.874 -7.256 1.00 0.00 H new ATOM 558 N ARG A 36 8.248 -3.812 -2.566 1.00 0.00 N ATOM 559 CA ARG A 36 7.558 -2.798 -1.714 1.00 0.00 C ATOM 560 C ARG A 36 8.522 -2.265 -0.647 1.00 0.00 C ATOM 561 O ARG A 36 8.319 -1.199 -0.098 1.00 0.00 O ATOM 562 CB ARG A 36 6.360 -3.454 -1.022 1.00 0.00 C ATOM 563 CG ARG A 36 5.262 -2.410 -0.778 1.00 0.00 C ATOM 564 CD ARG A 36 4.769 -2.511 0.669 1.00 0.00 C ATOM 565 NE ARG A 36 3.355 -2.045 0.748 1.00 0.00 N ATOM 566 CZ ARG A 36 3.056 -0.805 0.466 1.00 0.00 C ATOM 567 NH1 ARG A 36 3.831 0.165 0.871 1.00 0.00 N ATOM 568 NH2 ARG A 36 1.978 -0.536 -0.220 1.00 0.00 N ATOM 0 H ARG A 36 7.949 -4.775 -2.415 1.00 0.00 H new ATOM 0 HA ARG A 36 7.223 -1.972 -2.341 1.00 0.00 H new ATOM 0 HB2 ARG A 36 5.972 -4.265 -1.638 1.00 0.00 H new ATOM 0 HB3 ARG A 36 6.672 -3.894 -0.075 1.00 0.00 H new ATOM 0 HG2 ARG A 36 5.648 -1.409 -0.972 1.00 0.00 H new ATOM 0 HG3 ARG A 36 4.433 -2.571 -1.467 1.00 0.00 H new ATOM 0 HD2 ARG A 36 4.843 -3.541 1.018 1.00 0.00 H new ATOM 0 HD3 ARG A 36 5.399 -1.907 1.322 1.00 0.00 H new ATOM 0 HE ARG A 36 2.619 -2.696 1.023 1.00 0.00 H new ATOM 0 HH11 ARG A 36 4.672 -0.045 1.409 1.00 0.00 H new ATOM 0 HH12 ARG A 36 3.595 1.132 0.650 1.00 0.00 H new ATOM 0 HH21 ARG A 36 1.371 -1.293 -0.534 1.00 0.00 H new ATOM 0 HH22 ARG A 36 1.743 0.431 -0.441 1.00 0.00 H new ATOM 582 N GLU A 37 9.559 -3.006 -0.340 1.00 0.00 N ATOM 583 CA GLU A 37 10.529 -2.554 0.701 1.00 0.00 C ATOM 584 C GLU A 37 11.293 -1.321 0.212 1.00 0.00 C ATOM 585 O GLU A 37 11.500 -0.378 0.954 1.00 0.00 O ATOM 586 CB GLU A 37 11.520 -3.684 0.987 1.00 0.00 C ATOM 587 CG GLU A 37 12.371 -3.321 2.204 1.00 0.00 C ATOM 588 CD GLU A 37 12.868 -4.600 2.881 1.00 0.00 C ATOM 589 OE1 GLU A 37 12.039 -5.431 3.215 1.00 0.00 O ATOM 590 OE2 GLU A 37 14.069 -4.726 3.056 1.00 0.00 O ATOM 0 H GLU A 37 9.774 -3.907 -0.768 1.00 0.00 H new ATOM 0 HA GLU A 37 9.985 -2.296 1.609 1.00 0.00 H new ATOM 0 HB2 GLU A 37 10.983 -4.615 1.170 1.00 0.00 H new ATOM 0 HB3 GLU A 37 12.159 -3.850 0.120 1.00 0.00 H new ATOM 0 HG2 GLU A 37 13.218 -2.706 1.898 1.00 0.00 H new ATOM 0 HG3 GLU A 37 11.785 -2.729 2.907 1.00 0.00 H new ATOM 597 N ARG A 38 11.723 -1.325 -1.023 1.00 0.00 N ATOM 598 CA ARG A 38 12.487 -0.159 -1.559 1.00 0.00 C ATOM 599 C ARG A 38 11.517 0.942 -2.001 1.00 0.00 C ATOM 600 O ARG A 38 11.805 2.117 -1.891 1.00 0.00 O ATOM 601 CB ARG A 38 13.321 -0.612 -2.759 1.00 0.00 C ATOM 602 CG ARG A 38 14.314 -1.702 -2.325 1.00 0.00 C ATOM 603 CD ARG A 38 15.725 -1.371 -2.833 1.00 0.00 C ATOM 604 NE ARG A 38 16.693 -1.455 -1.703 1.00 0.00 N ATOM 605 CZ ARG A 38 17.923 -1.053 -1.868 1.00 0.00 C ATOM 606 NH1 ARG A 38 18.811 -1.861 -2.380 1.00 0.00 N ATOM 607 NH2 ARG A 38 18.265 0.158 -1.522 1.00 0.00 N ATOM 0 H ARG A 38 11.578 -2.087 -1.685 1.00 0.00 H new ATOM 0 HA ARG A 38 13.141 0.232 -0.780 1.00 0.00 H new ATOM 0 HB2 ARG A 38 12.668 -0.995 -3.543 1.00 0.00 H new ATOM 0 HB3 ARG A 38 13.860 0.237 -3.179 1.00 0.00 H new ATOM 0 HG2 ARG A 38 14.322 -1.785 -1.238 1.00 0.00 H new ATOM 0 HG3 ARG A 38 13.997 -2.669 -2.716 1.00 0.00 H new ATOM 0 HD2 ARG A 38 16.011 -2.066 -3.623 1.00 0.00 H new ATOM 0 HD3 ARG A 38 15.742 -0.371 -3.266 1.00 0.00 H new ATOM 0 HE ARG A 38 16.394 -1.827 -0.801 1.00 0.00 H new ATOM 0 HH11 ARG A 38 18.543 -2.807 -2.651 1.00 0.00 H new ATOM 0 HH12 ARG A 38 19.773 -1.546 -2.509 1.00 0.00 H new ATOM 0 HH21 ARG A 38 17.571 0.790 -1.123 1.00 0.00 H new ATOM 0 HH22 ARG A 38 19.227 0.473 -1.651 1.00 0.00 H new ATOM 621 N PHE A 39 10.371 0.563 -2.506 1.00 0.00 N ATOM 622 CA PHE A 39 9.353 1.565 -2.975 1.00 0.00 C ATOM 623 C PHE A 39 9.116 2.641 -1.895 1.00 0.00 C ATOM 624 O PHE A 39 9.313 3.815 -2.130 1.00 0.00 O ATOM 625 CB PHE A 39 8.038 0.813 -3.287 1.00 0.00 C ATOM 626 CG PHE A 39 6.868 1.774 -3.439 1.00 0.00 C ATOM 627 CD1 PHE A 39 6.593 2.364 -4.677 1.00 0.00 C ATOM 628 CD2 PHE A 39 6.063 2.063 -2.331 1.00 0.00 C ATOM 629 CE1 PHE A 39 5.512 3.245 -4.809 1.00 0.00 C ATOM 630 CE2 PHE A 39 4.982 2.944 -2.462 1.00 0.00 C ATOM 631 CZ PHE A 39 4.705 3.534 -3.701 1.00 0.00 C ATOM 0 H PHE A 39 10.089 -0.411 -2.617 1.00 0.00 H new ATOM 0 HA PHE A 39 9.715 2.069 -3.871 1.00 0.00 H new ATOM 0 HB2 PHE A 39 8.157 0.235 -4.204 1.00 0.00 H new ATOM 0 HB3 PHE A 39 7.825 0.103 -2.488 1.00 0.00 H new ATOM 0 HD1 PHE A 39 7.214 2.140 -5.532 1.00 0.00 H new ATOM 0 HD2 PHE A 39 6.275 1.607 -1.375 1.00 0.00 H new ATOM 0 HE1 PHE A 39 5.301 3.701 -5.765 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.362 3.168 -1.607 1.00 0.00 H new ATOM 0 HZ PHE A 39 3.870 4.211 -3.803 1.00 0.00 H new ATOM 641 N VAL A 40 8.674 2.241 -0.734 1.00 0.00 N ATOM 642 CA VAL A 40 8.392 3.226 0.356 1.00 0.00 C ATOM 643 C VAL A 40 9.641 4.051 0.682 1.00 0.00 C ATOM 644 O VAL A 40 9.582 5.261 0.782 1.00 0.00 O ATOM 645 CB VAL A 40 7.950 2.475 1.616 1.00 0.00 C ATOM 646 CG1 VAL A 40 7.469 3.477 2.668 1.00 0.00 C ATOM 647 CG2 VAL A 40 6.807 1.518 1.269 1.00 0.00 C ATOM 0 H VAL A 40 8.494 1.267 -0.489 1.00 0.00 H new ATOM 0 HA VAL A 40 7.604 3.899 0.018 1.00 0.00 H new ATOM 0 HB VAL A 40 8.793 1.908 2.011 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.155 2.941 3.564 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.281 4.159 2.919 1.00 0.00 H new ATOM 0 HG13 VAL A 40 6.628 4.045 2.271 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.494 0.985 2.167 1.00 0.00 H new ATOM 0 HG22 VAL A 40 5.965 2.085 0.872 1.00 0.00 H new ATOM 0 HG23 VAL A 40 7.147 0.802 0.521 1.00 0.00 H new ATOM 657 N GLN A 41 10.757 3.403 0.875 1.00 0.00 N ATOM 658 CA GLN A 41 12.012 4.135 1.236 1.00 0.00 C ATOM 659 C GLN A 41 12.460 5.076 0.108 1.00 0.00 C ATOM 660 O GLN A 41 13.283 5.946 0.327 1.00 0.00 O ATOM 661 CB GLN A 41 13.125 3.114 1.523 1.00 0.00 C ATOM 662 CG GLN A 41 13.729 3.362 2.915 1.00 0.00 C ATOM 663 CD GLN A 41 13.709 2.066 3.727 1.00 0.00 C ATOM 664 OE1 GLN A 41 12.841 1.866 4.555 1.00 0.00 O ATOM 665 NE2 GLN A 41 14.634 1.169 3.522 1.00 0.00 N ATOM 0 H GLN A 41 10.857 2.391 0.798 1.00 0.00 H new ATOM 0 HA GLN A 41 11.813 4.741 2.120 1.00 0.00 H new ATOM 0 HB2 GLN A 41 12.723 2.102 1.468 1.00 0.00 H new ATOM 0 HB3 GLN A 41 13.902 3.190 0.763 1.00 0.00 H new ATOM 0 HG2 GLN A 41 14.752 3.725 2.818 1.00 0.00 H new ATOM 0 HG3 GLN A 41 13.164 4.136 3.434 1.00 0.00 H new ATOM 0 HE21 GLN A 41 15.362 1.337 2.828 1.00 0.00 H new ATOM 0 HE22 GLN A 41 14.629 0.300 4.056 1.00 0.00 H new ATOM 674 N GLU A 42 11.954 4.911 -1.089 1.00 0.00 N ATOM 675 CA GLU A 42 12.394 5.803 -2.205 1.00 0.00 C ATOM 676 C GLU A 42 11.196 6.272 -3.037 1.00 0.00 C ATOM 677 O GLU A 42 11.347 6.633 -4.190 1.00 0.00 O ATOM 678 CB GLU A 42 13.368 5.038 -3.103 1.00 0.00 C ATOM 679 CG GLU A 42 14.658 4.755 -2.330 1.00 0.00 C ATOM 680 CD GLU A 42 15.475 6.043 -2.213 1.00 0.00 C ATOM 681 OE1 GLU A 42 15.167 6.838 -1.341 1.00 0.00 O ATOM 682 OE2 GLU A 42 16.394 6.212 -2.998 1.00 0.00 O ATOM 0 H GLU A 42 11.262 4.205 -1.340 1.00 0.00 H new ATOM 0 HA GLU A 42 12.882 6.680 -1.780 1.00 0.00 H new ATOM 0 HB2 GLU A 42 12.917 4.103 -3.434 1.00 0.00 H new ATOM 0 HB3 GLU A 42 13.588 5.620 -3.998 1.00 0.00 H new ATOM 0 HG2 GLU A 42 14.423 4.369 -1.338 1.00 0.00 H new ATOM 0 HG3 GLU A 42 15.240 3.988 -2.841 1.00 0.00 H new ATOM 689 N VAL A 43 10.013 6.280 -2.471 1.00 0.00 N ATOM 690 CA VAL A 43 8.815 6.739 -3.248 1.00 0.00 C ATOM 691 C VAL A 43 7.754 7.329 -2.305 1.00 0.00 C ATOM 692 O VAL A 43 7.092 8.291 -2.646 1.00 0.00 O ATOM 693 CB VAL A 43 8.207 5.564 -4.030 1.00 0.00 C ATOM 694 CG1 VAL A 43 7.107 6.086 -4.956 1.00 0.00 C ATOM 695 CG2 VAL A 43 9.289 4.886 -4.877 1.00 0.00 C ATOM 0 H VAL A 43 9.824 5.991 -1.511 1.00 0.00 H new ATOM 0 HA VAL A 43 9.137 7.510 -3.947 1.00 0.00 H new ATOM 0 HB VAL A 43 7.792 4.844 -3.325 1.00 0.00 H new ATOM 0 HG11 VAL A 43 6.674 5.254 -5.512 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.331 6.569 -4.363 1.00 0.00 H new ATOM 0 HG13 VAL A 43 7.531 6.807 -5.654 1.00 0.00 H new ATOM 0 HG21 VAL A 43 8.851 4.054 -5.429 1.00 0.00 H new ATOM 0 HG22 VAL A 43 9.706 5.607 -5.579 1.00 0.00 H new ATOM 0 HG23 VAL A 43 10.080 4.514 -4.226 1.00 0.00 H new ATOM 705 N LEU A 44 7.569 6.758 -1.137 1.00 0.00 N ATOM 706 CA LEU A 44 6.533 7.289 -0.195 1.00 0.00 C ATOM 707 C LEU A 44 6.840 8.743 0.211 1.00 0.00 C ATOM 708 O LEU A 44 5.937 9.554 0.263 1.00 0.00 O ATOM 709 CB LEU A 44 6.463 6.410 1.057 1.00 0.00 C ATOM 710 CG LEU A 44 5.167 6.709 1.816 1.00 0.00 C ATOM 711 CD1 LEU A 44 3.969 6.246 0.984 1.00 0.00 C ATOM 712 CD2 LEU A 44 5.176 5.966 3.155 1.00 0.00 C ATOM 0 H LEU A 44 8.090 5.949 -0.797 1.00 0.00 H new ATOM 0 HA LEU A 44 5.572 7.272 -0.709 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.499 5.357 0.778 1.00 0.00 H new ATOM 0 HB3 LEU A 44 7.325 6.600 1.697 1.00 0.00 H new ATOM 0 HG LEU A 44 5.091 7.781 1.996 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.047 6.459 1.524 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.962 6.775 0.031 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.044 5.174 0.803 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.254 6.179 3.695 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.252 4.894 2.976 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.029 6.296 3.749 1.00 0.00 H new ATOM 724 N PRO A 45 8.096 9.036 0.494 1.00 0.00 N ATOM 725 CA PRO A 45 8.415 10.433 0.895 1.00 0.00 C ATOM 726 C PRO A 45 8.555 11.350 -0.329 1.00 0.00 C ATOM 727 O PRO A 45 8.586 12.560 -0.196 1.00 0.00 O ATOM 728 CB PRO A 45 9.746 10.333 1.640 1.00 0.00 C ATOM 729 CG PRO A 45 10.412 9.038 1.150 1.00 0.00 C ATOM 730 CD PRO A 45 9.285 8.150 0.601 1.00 0.00 C ATOM 0 HA PRO A 45 7.624 10.864 1.508 1.00 0.00 H new ATOM 0 HB2 PRO A 45 10.375 11.198 1.431 1.00 0.00 H new ATOM 0 HB3 PRO A 45 9.588 10.306 2.718 1.00 0.00 H new ATOM 0 HG2 PRO A 45 11.151 9.250 0.377 1.00 0.00 H new ATOM 0 HG3 PRO A 45 10.937 8.539 1.965 1.00 0.00 H new ATOM 0 HD2 PRO A 45 9.552 7.733 -0.370 1.00 0.00 H new ATOM 0 HD3 PRO A 45 9.089 7.309 1.266 1.00 0.00 H new ATOM 738 N LYS A 46 8.645 10.795 -1.514 1.00 0.00 N ATOM 739 CA LYS A 46 8.789 11.648 -2.732 1.00 0.00 C ATOM 740 C LYS A 46 7.496 12.433 -2.975 1.00 0.00 C ATOM 741 O LYS A 46 7.513 13.499 -3.562 1.00 0.00 O ATOM 742 CB LYS A 46 9.086 10.766 -3.944 1.00 0.00 C ATOM 743 CG LYS A 46 10.031 11.509 -4.893 1.00 0.00 C ATOM 744 CD LYS A 46 11.488 11.312 -4.443 1.00 0.00 C ATOM 745 CE LYS A 46 12.175 12.672 -4.281 1.00 0.00 C ATOM 746 NZ LYS A 46 13.366 12.525 -3.397 1.00 0.00 N ATOM 0 H LYS A 46 8.625 9.790 -1.688 1.00 0.00 H new ATOM 0 HA LYS A 46 9.611 12.348 -2.582 1.00 0.00 H new ATOM 0 HB2 LYS A 46 9.539 9.828 -3.623 1.00 0.00 H new ATOM 0 HB3 LYS A 46 8.160 10.513 -4.460 1.00 0.00 H new ATOM 0 HG2 LYS A 46 9.903 11.140 -5.910 1.00 0.00 H new ATOM 0 HG3 LYS A 46 9.786 12.571 -4.906 1.00 0.00 H new ATOM 0 HD2 LYS A 46 11.515 10.767 -3.499 1.00 0.00 H new ATOM 0 HD3 LYS A 46 12.025 10.709 -5.175 1.00 0.00 H new ATOM 0 HE2 LYS A 46 12.477 13.057 -5.255 1.00 0.00 H new ATOM 0 HE3 LYS A 46 11.479 13.394 -3.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 13.833 13.448 -3.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 13.065 12.176 -2.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 14.032 11.849 -3.822 1.00 0.00 H new ATOM 760 N TYR A 47 6.378 11.915 -2.531 1.00 0.00 N ATOM 761 CA TYR A 47 5.083 12.629 -2.738 1.00 0.00 C ATOM 762 C TYR A 47 4.471 12.992 -1.384 1.00 0.00 C ATOM 763 O TYR A 47 4.064 14.116 -1.159 1.00 0.00 O ATOM 764 CB TYR A 47 4.117 11.720 -3.501 1.00 0.00 C ATOM 765 CG TYR A 47 4.699 11.389 -4.855 1.00 0.00 C ATOM 766 CD1 TYR A 47 5.727 10.446 -4.963 1.00 0.00 C ATOM 767 CD2 TYR A 47 4.209 12.025 -6.001 1.00 0.00 C ATOM 768 CE1 TYR A 47 6.267 10.139 -6.218 1.00 0.00 C ATOM 769 CE2 TYR A 47 4.748 11.718 -7.255 1.00 0.00 C ATOM 770 CZ TYR A 47 5.776 10.774 -7.364 1.00 0.00 C ATOM 771 OH TYR A 47 6.307 10.472 -8.601 1.00 0.00 O ATOM 0 H TYR A 47 6.307 11.027 -2.034 1.00 0.00 H new ATOM 0 HA TYR A 47 5.262 13.539 -3.311 1.00 0.00 H new ATOM 0 HB2 TYR A 47 3.939 10.805 -2.936 1.00 0.00 H new ATOM 0 HB3 TYR A 47 3.153 12.214 -3.619 1.00 0.00 H new ATOM 0 HD1 TYR A 47 6.104 9.955 -4.078 1.00 0.00 H new ATOM 0 HD2 TYR A 47 3.415 12.752 -5.918 1.00 0.00 H new ATOM 0 HE1 TYR A 47 7.062 9.413 -6.301 1.00 0.00 H new ATOM 0 HE2 TYR A 47 4.371 12.210 -8.140 1.00 0.00 H new ATOM 0 HH TYR A 47 5.853 11.000 -9.290 1.00 0.00 H new ATOM 781 N PHE A 48 4.399 12.043 -0.484 1.00 0.00 N ATOM 782 CA PHE A 48 3.809 12.315 0.859 1.00 0.00 C ATOM 783 C PHE A 48 4.841 13.021 1.744 1.00 0.00 C ATOM 784 O PHE A 48 5.954 13.280 1.328 1.00 0.00 O ATOM 785 CB PHE A 48 3.405 10.992 1.515 1.00 0.00 C ATOM 786 CG PHE A 48 2.239 10.385 0.770 1.00 0.00 C ATOM 787 CD1 PHE A 48 2.464 9.640 -0.396 1.00 0.00 C ATOM 788 CD2 PHE A 48 0.934 10.564 1.244 1.00 0.00 C ATOM 789 CE1 PHE A 48 1.384 9.076 -1.086 1.00 0.00 C ATOM 790 CE2 PHE A 48 -0.146 9.998 0.555 1.00 0.00 C ATOM 791 CZ PHE A 48 0.078 9.255 -0.610 1.00 0.00 C ATOM 0 H PHE A 48 4.726 11.087 -0.625 1.00 0.00 H new ATOM 0 HA PHE A 48 2.932 12.952 0.744 1.00 0.00 H new ATOM 0 HB2 PHE A 48 4.249 10.302 1.512 1.00 0.00 H new ATOM 0 HB3 PHE A 48 3.134 11.160 2.557 1.00 0.00 H new ATOM 0 HD1 PHE A 48 3.470 9.501 -0.762 1.00 0.00 H new ATOM 0 HD2 PHE A 48 0.760 11.139 2.142 1.00 0.00 H new ATOM 0 HE1 PHE A 48 1.557 8.503 -1.985 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -1.152 10.135 0.923 1.00 0.00 H new ATOM 0 HZ PHE A 48 -0.755 8.820 -1.142 1.00 0.00 H new ATOM 801 N LYS A 49 4.474 13.328 2.963 1.00 0.00 N ATOM 802 CA LYS A 49 5.421 14.015 3.889 1.00 0.00 C ATOM 803 C LYS A 49 5.339 13.369 5.274 1.00 0.00 C ATOM 804 O LYS A 49 4.335 13.467 5.953 1.00 0.00 O ATOM 805 CB LYS A 49 5.048 15.497 3.997 1.00 0.00 C ATOM 806 CG LYS A 49 5.307 16.189 2.656 1.00 0.00 C ATOM 807 CD LYS A 49 4.448 17.453 2.556 1.00 0.00 C ATOM 808 CE LYS A 49 5.276 18.673 2.963 1.00 0.00 C ATOM 809 NZ LYS A 49 4.610 19.912 2.470 1.00 0.00 N ATOM 0 H LYS A 49 3.554 13.131 3.357 1.00 0.00 H new ATOM 0 HA LYS A 49 6.436 13.923 3.502 1.00 0.00 H new ATOM 0 HB2 LYS A 49 3.999 15.599 4.274 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.633 15.974 4.783 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.362 16.446 2.566 1.00 0.00 H new ATOM 0 HG3 LYS A 49 5.073 15.512 1.835 1.00 0.00 H new ATOM 0 HD2 LYS A 49 4.080 17.575 1.537 1.00 0.00 H new ATOM 0 HD3 LYS A 49 3.574 17.363 3.202 1.00 0.00 H new ATOM 0 HE2 LYS A 49 5.380 18.710 4.047 1.00 0.00 H new ATOM 0 HE3 LYS A 49 6.281 18.598 2.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 5.172 20.742 2.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 4.533 19.876 1.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 3.659 19.984 2.886 1.00 0.00 H new ATOM 823 N HIS A 50 6.389 12.705 5.695 1.00 0.00 N ATOM 824 CA HIS A 50 6.385 12.044 7.037 1.00 0.00 C ATOM 825 C HIS A 50 5.223 11.049 7.118 1.00 0.00 C ATOM 826 O HIS A 50 4.594 10.894 8.148 1.00 0.00 O ATOM 827 CB HIS A 50 6.232 13.107 8.128 1.00 0.00 C ATOM 828 CG HIS A 50 7.450 13.989 8.136 1.00 0.00 C ATOM 829 ND1 HIS A 50 7.549 15.119 7.340 1.00 0.00 N ATOM 830 CD2 HIS A 50 8.631 13.916 8.834 1.00 0.00 C ATOM 831 CE1 HIS A 50 8.753 15.676 7.574 1.00 0.00 C ATOM 832 NE2 HIS A 50 9.452 14.982 8.477 1.00 0.00 N ATOM 0 H HIS A 50 7.252 12.593 5.163 1.00 0.00 H new ATOM 0 HA HIS A 50 7.324 11.510 7.181 1.00 0.00 H new ATOM 0 HB2 HIS A 50 5.338 13.704 7.948 1.00 0.00 H new ATOM 0 HB3 HIS A 50 6.107 12.631 9.101 1.00 0.00 H new ATOM 0 HD2 HIS A 50 8.884 13.149 9.551 1.00 0.00 H new ATOM 0 HE1 HIS A 50 9.110 16.574 7.091 1.00 0.00 H new ATOM 0 HE2 HIS A 50 10.387 15.189 8.829 1.00 0.00 H new ATOM 840 N SER A 51 4.937 10.379 6.031 1.00 0.00 N ATOM 841 CA SER A 51 3.818 9.393 6.021 1.00 0.00 C ATOM 842 C SER A 51 4.373 7.984 6.232 1.00 0.00 C ATOM 843 O SER A 51 5.551 7.738 6.050 1.00 0.00 O ATOM 844 CB SER A 51 3.100 9.461 4.672 1.00 0.00 C ATOM 845 OG SER A 51 2.010 8.552 4.674 1.00 0.00 O ATOM 0 H SER A 51 5.434 10.474 5.146 1.00 0.00 H new ATOM 0 HA SER A 51 3.118 9.628 6.823 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.743 10.474 4.488 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.792 9.215 3.866 1.00 0.00 H new ATOM 0 HG SER A 51 1.547 8.595 3.811 1.00 0.00 H new ATOM 851 N ASN A 52 3.530 7.058 6.615 1.00 0.00 N ATOM 852 CA ASN A 52 3.996 5.658 6.840 1.00 0.00 C ATOM 853 C ASN A 52 3.230 4.713 5.909 1.00 0.00 C ATOM 854 O ASN A 52 2.045 4.876 5.683 1.00 0.00 O ATOM 855 CB ASN A 52 3.742 5.264 8.301 1.00 0.00 C ATOM 856 CG ASN A 52 4.972 4.550 8.868 1.00 0.00 C ATOM 857 OD1 ASN A 52 4.998 3.339 8.956 1.00 0.00 O ATOM 858 ND2 ASN A 52 5.998 5.256 9.258 1.00 0.00 N ATOM 0 H ASN A 52 2.536 7.213 6.782 1.00 0.00 H new ATOM 0 HA ASN A 52 5.063 5.588 6.629 1.00 0.00 H new ATOM 0 HB2 ASN A 52 3.521 6.152 8.893 1.00 0.00 H new ATOM 0 HB3 ASN A 52 2.870 4.613 8.365 1.00 0.00 H new ATOM 0 HD21 ASN A 52 6.823 4.791 9.637 1.00 0.00 H new ATOM 0 HD22 ASN A 52 5.975 6.273 9.184 1.00 0.00 H new ATOM 865 N PHE A 53 3.900 3.723 5.368 1.00 0.00 N ATOM 866 CA PHE A 53 3.228 2.753 4.442 1.00 0.00 C ATOM 867 C PHE A 53 1.945 2.202 5.076 1.00 0.00 C ATOM 868 O PHE A 53 1.015 1.831 4.387 1.00 0.00 O ATOM 869 CB PHE A 53 4.175 1.590 4.134 1.00 0.00 C ATOM 870 CG PHE A 53 4.771 1.044 5.413 1.00 0.00 C ATOM 871 CD1 PHE A 53 4.046 0.132 6.190 1.00 0.00 C ATOM 872 CD2 PHE A 53 6.049 1.447 5.817 1.00 0.00 C ATOM 873 CE1 PHE A 53 4.600 -0.376 7.371 1.00 0.00 C ATOM 874 CE2 PHE A 53 6.603 0.939 6.999 1.00 0.00 C ATOM 875 CZ PHE A 53 5.877 0.027 7.775 1.00 0.00 C ATOM 0 H PHE A 53 4.891 3.543 5.529 1.00 0.00 H new ATOM 0 HA PHE A 53 2.973 3.277 3.521 1.00 0.00 H new ATOM 0 HB2 PHE A 53 3.635 0.801 3.611 1.00 0.00 H new ATOM 0 HB3 PHE A 53 4.970 1.926 3.469 1.00 0.00 H new ATOM 0 HD1 PHE A 53 3.060 -0.179 5.878 1.00 0.00 H new ATOM 0 HD2 PHE A 53 6.608 2.150 5.217 1.00 0.00 H new ATOM 0 HE1 PHE A 53 4.041 -1.079 7.970 1.00 0.00 H new ATOM 0 HE2 PHE A 53 7.589 1.250 7.311 1.00 0.00 H new ATOM 0 HZ PHE A 53 6.304 -0.366 8.686 1.00 0.00 H new ATOM 885 N ALA A 54 1.896 2.149 6.380 1.00 0.00 N ATOM 886 CA ALA A 54 0.679 1.627 7.073 1.00 0.00 C ATOM 887 C ALA A 54 -0.529 2.505 6.725 1.00 0.00 C ATOM 888 O ALA A 54 -1.561 2.016 6.298 1.00 0.00 O ATOM 889 CB ALA A 54 0.908 1.649 8.586 1.00 0.00 C ATOM 0 H ALA A 54 2.650 2.446 7.000 1.00 0.00 H new ATOM 0 HA ALA A 54 0.487 0.605 6.748 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.022 1.269 9.094 1.00 0.00 H new ATOM 0 HB2 ALA A 54 1.765 1.022 8.833 1.00 0.00 H new ATOM 0 HB3 ALA A 54 1.101 2.672 8.910 1.00 0.00 H new ATOM 895 N SER A 55 -0.404 3.798 6.899 1.00 0.00 N ATOM 896 CA SER A 55 -1.539 4.714 6.573 1.00 0.00 C ATOM 897 C SER A 55 -1.835 4.629 5.076 1.00 0.00 C ATOM 898 O SER A 55 -2.961 4.788 4.643 1.00 0.00 O ATOM 899 CB SER A 55 -1.161 6.150 6.939 1.00 0.00 C ATOM 900 OG SER A 55 -1.453 6.376 8.313 1.00 0.00 O ATOM 0 H SER A 55 0.435 4.258 7.253 1.00 0.00 H new ATOM 0 HA SER A 55 -2.422 4.420 7.140 1.00 0.00 H new ATOM 0 HB2 SER A 55 -0.101 6.320 6.748 1.00 0.00 H new ATOM 0 HB3 SER A 55 -1.714 6.854 6.317 1.00 0.00 H new ATOM 0 HG SER A 55 -1.211 7.295 8.552 1.00 0.00 H new ATOM 906 N PHE A 56 -0.825 4.370 4.284 1.00 0.00 N ATOM 907 CA PHE A 56 -1.020 4.258 2.810 1.00 0.00 C ATOM 908 C PHE A 56 -1.983 3.105 2.514 1.00 0.00 C ATOM 909 O PHE A 56 -2.839 3.197 1.653 1.00 0.00 O ATOM 910 CB PHE A 56 0.339 3.978 2.158 1.00 0.00 C ATOM 911 CG PHE A 56 0.218 3.984 0.649 1.00 0.00 C ATOM 912 CD1 PHE A 56 -0.480 5.009 0.000 1.00 0.00 C ATOM 913 CD2 PHE A 56 0.818 2.965 -0.098 1.00 0.00 C ATOM 914 CE1 PHE A 56 -0.579 5.013 -1.396 1.00 0.00 C ATOM 915 CE2 PHE A 56 0.721 2.971 -1.495 1.00 0.00 C ATOM 916 CZ PHE A 56 0.023 3.995 -2.144 1.00 0.00 C ATOM 0 H PHE A 56 0.134 4.230 4.601 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.437 5.183 2.412 1.00 0.00 H new ATOM 0 HB2 PHE A 56 1.061 4.731 2.473 1.00 0.00 H new ATOM 0 HB3 PHE A 56 0.717 3.013 2.494 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -0.942 5.797 0.576 1.00 0.00 H new ATOM 0 HD2 PHE A 56 1.356 2.174 0.403 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -1.120 5.802 -1.896 1.00 0.00 H new ATOM 0 HE2 PHE A 56 1.185 2.185 -2.072 1.00 0.00 H new ATOM 0 HZ PHE A 56 -0.051 4.000 -3.221 1.00 0.00 H new ATOM 926 N VAL A 57 -1.843 2.023 3.232 1.00 0.00 N ATOM 927 CA VAL A 57 -2.737 0.848 3.022 1.00 0.00 C ATOM 928 C VAL A 57 -4.158 1.205 3.462 1.00 0.00 C ATOM 929 O VAL A 57 -5.122 0.765 2.870 1.00 0.00 O ATOM 930 CB VAL A 57 -2.222 -0.338 3.852 1.00 0.00 C ATOM 931 CG1 VAL A 57 -3.173 -1.542 3.715 1.00 0.00 C ATOM 932 CG2 VAL A 57 -0.826 -0.726 3.359 1.00 0.00 C ATOM 0 H VAL A 57 -1.141 1.902 3.962 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.743 0.576 1.966 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.177 -0.048 4.902 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.794 -2.374 4.309 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -4.165 -1.264 4.071 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -3.233 -1.841 2.669 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -0.454 -1.567 3.944 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.877 -1.009 2.308 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.151 0.122 3.474 1.00 0.00 H new ATOM 942 N ARG A 58 -4.292 1.984 4.503 1.00 0.00 N ATOM 943 CA ARG A 58 -5.655 2.356 4.987 1.00 0.00 C ATOM 944 C ARG A 58 -6.308 3.343 4.009 1.00 0.00 C ATOM 945 O ARG A 58 -7.517 3.474 3.970 1.00 0.00 O ATOM 946 CB ARG A 58 -5.546 2.999 6.372 1.00 0.00 C ATOM 947 CG ARG A 58 -6.802 2.681 7.189 1.00 0.00 C ATOM 948 CD ARG A 58 -7.790 3.849 7.098 1.00 0.00 C ATOM 949 NE ARG A 58 -7.762 4.622 8.371 1.00 0.00 N ATOM 950 CZ ARG A 58 -8.818 5.286 8.753 1.00 0.00 C ATOM 951 NH1 ARG A 58 -9.809 4.662 9.327 1.00 0.00 N ATOM 952 NH2 ARG A 58 -8.883 6.576 8.561 1.00 0.00 N ATOM 0 H ARG A 58 -3.519 2.378 5.038 1.00 0.00 H new ATOM 0 HA ARG A 58 -6.271 1.459 5.049 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -4.661 2.627 6.888 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -5.428 4.078 6.274 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -7.268 1.769 6.816 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -6.534 2.500 8.230 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -7.528 4.496 6.261 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -8.796 3.475 6.909 1.00 0.00 H new ATOM 0 HE ARG A 58 -6.918 4.632 8.944 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -9.759 3.654 9.477 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -10.634 5.182 9.626 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -8.108 7.065 8.112 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -9.709 7.095 8.860 1.00 0.00 H new ATOM 966 N GLN A 59 -5.528 4.032 3.214 1.00 0.00 N ATOM 967 CA GLN A 59 -6.130 4.989 2.243 1.00 0.00 C ATOM 968 C GLN A 59 -6.711 4.192 1.073 1.00 0.00 C ATOM 969 O GLN A 59 -7.848 4.376 0.685 1.00 0.00 O ATOM 970 CB GLN A 59 -5.063 5.956 1.723 1.00 0.00 C ATOM 971 CG GLN A 59 -4.753 7.021 2.782 1.00 0.00 C ATOM 972 CD GLN A 59 -6.005 7.859 3.053 1.00 0.00 C ATOM 973 OE1 GLN A 59 -6.655 8.315 2.133 1.00 0.00 O ATOM 974 NE2 GLN A 59 -6.374 8.082 4.284 1.00 0.00 N ATOM 0 H GLN A 59 -4.510 3.973 3.197 1.00 0.00 H new ATOM 0 HA GLN A 59 -6.913 5.566 2.735 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -4.155 5.407 1.472 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -5.410 6.434 0.807 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -4.416 6.545 3.703 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -3.941 7.663 2.440 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -5.829 7.700 5.057 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -7.207 8.639 4.474 1.00 0.00 H new ATOM 983 N LEU A 60 -5.931 3.303 0.514 1.00 0.00 N ATOM 984 CA LEU A 60 -6.411 2.477 -0.636 1.00 0.00 C ATOM 985 C LEU A 60 -7.581 1.587 -0.204 1.00 0.00 C ATOM 986 O LEU A 60 -8.483 1.317 -0.976 1.00 0.00 O ATOM 987 CB LEU A 60 -5.266 1.581 -1.117 1.00 0.00 C ATOM 988 CG LEU A 60 -4.094 2.441 -1.591 1.00 0.00 C ATOM 989 CD1 LEU A 60 -2.809 1.609 -1.572 1.00 0.00 C ATOM 990 CD2 LEU A 60 -4.359 2.926 -3.018 1.00 0.00 C ATOM 0 H LEU A 60 -4.973 3.112 0.807 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.741 3.141 -1.434 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.943 0.924 -0.309 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -5.610 0.941 -1.929 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.985 3.299 -0.928 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.974 2.222 -1.910 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.616 1.260 -0.557 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.921 0.751 -2.235 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.523 3.539 -3.355 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -4.469 2.067 -3.680 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -5.274 3.518 -3.037 1.00 0.00 H new ATOM 1002 N ASN A 61 -7.558 1.113 1.014 1.00 0.00 N ATOM 1003 CA ASN A 61 -8.647 0.216 1.499 1.00 0.00 C ATOM 1004 C ASN A 61 -9.884 1.048 1.906 1.00 0.00 C ATOM 1005 O ASN A 61 -10.986 0.533 1.968 1.00 0.00 O ATOM 1006 CB ASN A 61 -8.076 -0.688 2.639 1.00 0.00 C ATOM 1007 CG ASN A 61 -8.708 -0.424 4.009 1.00 0.00 C ATOM 1008 OD1 ASN A 61 -9.169 -1.330 4.674 1.00 0.00 O ATOM 1009 ND2 ASN A 61 -8.741 0.788 4.443 1.00 0.00 N ATOM 0 H ASN A 61 -6.827 1.310 1.697 1.00 0.00 H new ATOM 0 HA ASN A 61 -8.996 -0.448 0.709 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -8.230 -1.734 2.373 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -6.999 -0.532 2.709 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -9.157 0.993 5.352 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -8.352 1.543 3.878 1.00 0.00 H new ATOM 1016 N MET A 62 -9.711 2.319 2.181 1.00 0.00 N ATOM 1017 CA MET A 62 -10.878 3.167 2.581 1.00 0.00 C ATOM 1018 C MET A 62 -11.533 3.822 1.350 1.00 0.00 C ATOM 1019 O MET A 62 -12.478 4.577 1.488 1.00 0.00 O ATOM 1020 CB MET A 62 -10.403 4.260 3.539 1.00 0.00 C ATOM 1021 CG MET A 62 -11.605 4.847 4.284 1.00 0.00 C ATOM 1022 SD MET A 62 -11.024 6.039 5.517 1.00 0.00 S ATOM 1023 CE MET A 62 -12.503 7.082 5.540 1.00 0.00 C ATOM 0 H MET A 62 -8.815 2.804 2.146 1.00 0.00 H new ATOM 0 HA MET A 62 -11.616 2.530 3.069 1.00 0.00 H new ATOM 0 HB2 MET A 62 -9.687 3.848 4.250 1.00 0.00 H new ATOM 0 HB3 MET A 62 -9.887 5.044 2.985 1.00 0.00 H new ATOM 0 HG2 MET A 62 -12.280 5.334 3.581 1.00 0.00 H new ATOM 0 HG3 MET A 62 -12.170 4.051 4.769 1.00 0.00 H new ATOM 0 HE1 MET A 62 -12.362 7.898 6.248 1.00 0.00 H new ATOM 0 HE2 MET A 62 -12.675 7.491 4.544 1.00 0.00 H new ATOM 0 HE3 MET A 62 -13.364 6.486 5.841 1.00 0.00 H new ATOM 1033 N TYR A 63 -11.050 3.551 0.157 1.00 0.00 N ATOM 1034 CA TYR A 63 -11.665 4.178 -1.054 1.00 0.00 C ATOM 1035 C TYR A 63 -12.298 3.113 -1.953 1.00 0.00 C ATOM 1036 O TYR A 63 -13.410 3.279 -2.418 1.00 0.00 O ATOM 1037 CB TYR A 63 -10.600 4.946 -1.839 1.00 0.00 C ATOM 1038 CG TYR A 63 -10.404 6.300 -1.204 1.00 0.00 C ATOM 1039 CD1 TYR A 63 -11.484 7.185 -1.119 1.00 0.00 C ATOM 1040 CD2 TYR A 63 -9.154 6.668 -0.696 1.00 0.00 C ATOM 1041 CE1 TYR A 63 -11.315 8.441 -0.528 1.00 0.00 C ATOM 1042 CE2 TYR A 63 -8.984 7.925 -0.101 1.00 0.00 C ATOM 1043 CZ TYR A 63 -10.065 8.811 -0.017 1.00 0.00 C ATOM 1044 OH TYR A 63 -9.899 10.049 0.571 1.00 0.00 O ATOM 0 H TYR A 63 -10.263 2.928 -0.027 1.00 0.00 H new ATOM 0 HA TYR A 63 -12.444 4.866 -0.727 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -9.661 4.392 -1.842 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -10.907 5.059 -2.879 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -12.449 6.898 -1.510 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -8.321 5.984 -0.762 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -12.148 9.125 -0.466 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -8.020 8.210 0.293 1.00 0.00 H new ATOM 0 HH TYR A 63 -8.972 10.146 0.874 1.00 0.00 H new ATOM 1054 N GLY A 64 -11.610 2.025 -2.206 1.00 0.00 N ATOM 1055 CA GLY A 64 -12.200 0.968 -3.084 1.00 0.00 C ATOM 1056 C GLY A 64 -11.151 -0.084 -3.465 1.00 0.00 C ATOM 1057 O GLY A 64 -11.487 -1.224 -3.726 1.00 0.00 O ATOM 0 H GLY A 64 -10.676 1.825 -1.847 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -13.032 0.487 -2.570 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -12.605 1.425 -3.987 1.00 0.00 H new ATOM 1061 N TRP A 65 -9.888 0.280 -3.510 1.00 0.00 N ATOM 1062 CA TRP A 65 -8.822 -0.713 -3.885 1.00 0.00 C ATOM 1063 C TRP A 65 -8.956 -1.980 -3.024 1.00 0.00 C ATOM 1064 O TRP A 65 -8.960 -1.916 -1.809 1.00 0.00 O ATOM 1065 CB TRP A 65 -7.443 -0.085 -3.663 1.00 0.00 C ATOM 1066 CG TRP A 65 -7.238 1.024 -4.647 1.00 0.00 C ATOM 1067 CD1 TRP A 65 -7.442 2.337 -4.390 1.00 0.00 C ATOM 1068 CD2 TRP A 65 -6.796 0.942 -6.034 1.00 0.00 C ATOM 1069 NE1 TRP A 65 -7.154 3.065 -5.531 1.00 0.00 N ATOM 1070 CE2 TRP A 65 -6.751 2.252 -6.570 1.00 0.00 C ATOM 1071 CE3 TRP A 65 -6.434 -0.129 -6.870 1.00 0.00 C ATOM 1072 CZ2 TRP A 65 -6.360 2.490 -7.889 1.00 0.00 C ATOM 1073 CZ3 TRP A 65 -6.039 0.107 -8.197 1.00 0.00 C ATOM 1074 CH2 TRP A 65 -6.003 1.414 -8.705 1.00 0.00 C ATOM 0 H TRP A 65 -9.549 1.220 -3.304 1.00 0.00 H new ATOM 0 HA TRP A 65 -8.937 -0.984 -4.935 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -7.365 0.298 -2.645 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -6.665 -0.839 -3.781 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -7.775 2.749 -3.449 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -7.230 4.080 -5.596 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -6.460 -1.139 -6.489 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -6.334 3.498 -8.275 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -5.761 -0.723 -8.830 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -5.699 1.588 -9.727 1.00 0.00 H new ATOM 1085 N HIS A 66 -9.094 -3.124 -3.651 1.00 0.00 N ATOM 1086 CA HIS A 66 -9.259 -4.393 -2.878 1.00 0.00 C ATOM 1087 C HIS A 66 -7.947 -5.187 -2.845 1.00 0.00 C ATOM 1088 O HIS A 66 -7.005 -4.890 -3.553 1.00 0.00 O ATOM 1089 CB HIS A 66 -10.343 -5.248 -3.540 1.00 0.00 C ATOM 1090 CG HIS A 66 -11.703 -4.714 -3.178 1.00 0.00 C ATOM 1091 ND1 HIS A 66 -12.661 -4.423 -4.137 1.00 0.00 N ATOM 1092 CD2 HIS A 66 -12.280 -4.418 -1.968 1.00 0.00 C ATOM 1093 CE1 HIS A 66 -13.753 -3.972 -3.494 1.00 0.00 C ATOM 1094 NE2 HIS A 66 -13.575 -3.948 -2.171 1.00 0.00 N ATOM 0 H HIS A 66 -9.099 -3.232 -4.665 1.00 0.00 H new ATOM 0 HA HIS A 66 -9.543 -4.143 -1.856 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -10.215 -5.240 -4.622 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -10.251 -6.284 -3.216 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -11.803 -4.532 -1.006 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -14.663 -3.666 -3.988 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -14.244 -3.649 -1.461 1.00 0.00 H new ATOM 1102 N LYS A 67 -7.901 -6.205 -2.025 1.00 0.00 N ATOM 1103 CA LYS A 67 -6.681 -7.057 -1.919 1.00 0.00 C ATOM 1104 C LYS A 67 -7.102 -8.527 -2.027 1.00 0.00 C ATOM 1105 O LYS A 67 -8.163 -8.907 -1.567 1.00 0.00 O ATOM 1106 CB LYS A 67 -6.011 -6.810 -0.559 1.00 0.00 C ATOM 1107 CG LYS A 67 -4.736 -7.660 -0.430 1.00 0.00 C ATOM 1108 CD LYS A 67 -4.765 -8.444 0.888 1.00 0.00 C ATOM 1109 CE LYS A 67 -4.596 -7.474 2.063 1.00 0.00 C ATOM 1110 NZ LYS A 67 -5.327 -7.981 3.267 1.00 0.00 N ATOM 0 H LYS A 67 -8.669 -6.485 -1.416 1.00 0.00 H new ATOM 0 HA LYS A 67 -5.978 -6.814 -2.716 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -5.764 -5.754 -0.454 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -6.704 -7.057 0.246 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -4.660 -8.348 -1.272 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -3.855 -7.018 -0.463 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -5.707 -8.985 0.981 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -3.968 -9.188 0.899 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -3.538 -7.355 2.295 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -4.974 -6.490 1.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -5.203 -7.313 4.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -6.339 -8.072 3.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -4.947 -8.910 3.538 1.00 0.00 H new ATOM 1124 N VAL A 68 -6.286 -9.353 -2.634 1.00 0.00 N ATOM 1125 CA VAL A 68 -6.648 -10.796 -2.773 1.00 0.00 C ATOM 1126 C VAL A 68 -5.645 -11.656 -1.992 1.00 0.00 C ATOM 1127 O VAL A 68 -4.959 -12.489 -2.555 1.00 0.00 O ATOM 1128 CB VAL A 68 -6.644 -11.180 -4.264 1.00 0.00 C ATOM 1129 CG1 VAL A 68 -5.246 -10.960 -4.861 1.00 0.00 C ATOM 1130 CG2 VAL A 68 -7.052 -12.653 -4.425 1.00 0.00 C ATOM 0 H VAL A 68 -5.387 -9.090 -3.038 1.00 0.00 H new ATOM 0 HA VAL A 68 -7.644 -10.969 -2.366 1.00 0.00 H new ATOM 0 HB VAL A 68 -7.359 -10.550 -4.793 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.254 -11.234 -5.916 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.969 -9.911 -4.761 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.522 -11.579 -4.330 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -7.047 -12.918 -5.482 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -6.346 -13.287 -3.889 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -8.053 -12.800 -4.019 1.00 0.00 H new ATOM 1140 N GLN A 69 -5.562 -11.462 -0.699 1.00 0.00 N ATOM 1141 CA GLN A 69 -4.612 -12.268 0.131 1.00 0.00 C ATOM 1142 C GLN A 69 -3.184 -12.109 -0.403 1.00 0.00 C ATOM 1143 O GLN A 69 -2.417 -13.051 -0.440 1.00 0.00 O ATOM 1144 CB GLN A 69 -5.019 -13.744 0.078 1.00 0.00 C ATOM 1145 CG GLN A 69 -5.899 -14.078 1.284 1.00 0.00 C ATOM 1146 CD GLN A 69 -7.374 -13.969 0.890 1.00 0.00 C ATOM 1147 OE1 GLN A 69 -7.728 -14.203 -0.249 1.00 0.00 O ATOM 1148 NE2 GLN A 69 -8.253 -13.623 1.789 1.00 0.00 N ATOM 0 H GLN A 69 -6.113 -10.778 -0.180 1.00 0.00 H new ATOM 0 HA GLN A 69 -4.646 -11.915 1.162 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -5.558 -13.950 -0.847 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -4.131 -14.377 0.077 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -5.680 -15.085 1.638 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -5.681 -13.396 2.106 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -7.955 -13.427 2.745 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -9.238 -13.549 1.537 1.00 0.00 H new ATOM 1157 N ASP A 70 -2.829 -10.920 -0.818 1.00 0.00 N ATOM 1158 CA ASP A 70 -1.458 -10.674 -1.354 1.00 0.00 C ATOM 1159 C ASP A 70 -1.223 -11.550 -2.597 1.00 0.00 C ATOM 1160 O ASP A 70 -1.509 -11.136 -3.704 1.00 0.00 O ATOM 1161 CB ASP A 70 -0.414 -10.978 -0.271 1.00 0.00 C ATOM 1162 CG ASP A 70 -0.201 -9.733 0.592 1.00 0.00 C ATOM 1163 OD1 ASP A 70 0.131 -8.700 0.035 1.00 0.00 O ATOM 1164 OD2 ASP A 70 -0.372 -9.835 1.796 1.00 0.00 O ATOM 0 H ASP A 70 -3.437 -10.101 -0.808 1.00 0.00 H new ATOM 0 HA ASP A 70 -1.362 -9.627 -1.643 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -0.748 -11.811 0.348 1.00 0.00 H new ATOM 0 HB3 ASP A 70 0.527 -11.280 -0.731 1.00 0.00 H new ATOM 1169 N VAL A 71 -0.710 -12.752 -2.437 1.00 0.00 N ATOM 1170 CA VAL A 71 -0.469 -13.626 -3.626 1.00 0.00 C ATOM 1171 C VAL A 71 -1.399 -14.842 -3.570 1.00 0.00 C ATOM 1172 O VAL A 71 -0.992 -15.930 -3.207 1.00 0.00 O ATOM 1173 CB VAL A 71 0.994 -14.092 -3.649 1.00 0.00 C ATOM 1174 CG1 VAL A 71 1.893 -12.926 -4.062 1.00 0.00 C ATOM 1175 CG2 VAL A 71 1.415 -14.584 -2.258 1.00 0.00 C ATOM 0 H VAL A 71 -0.451 -13.160 -1.539 1.00 0.00 H new ATOM 0 HA VAL A 71 -0.674 -13.057 -4.533 1.00 0.00 H new ATOM 0 HB VAL A 71 1.093 -14.909 -4.363 1.00 0.00 H new ATOM 0 HG11 VAL A 71 2.932 -13.256 -4.079 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.606 -12.579 -5.055 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.783 -12.111 -3.347 1.00 0.00 H new ATOM 0 HG21 VAL A 71 2.454 -14.912 -2.287 1.00 0.00 H new ATOM 0 HG22 VAL A 71 1.311 -13.772 -1.538 1.00 0.00 H new ATOM 0 HG23 VAL A 71 0.780 -15.418 -1.959 1.00 0.00 H new ATOM 1185 N LYS A 72 -2.644 -14.661 -3.934 1.00 0.00 N ATOM 1186 CA LYS A 72 -3.610 -15.798 -3.912 1.00 0.00 C ATOM 1187 C LYS A 72 -3.218 -16.819 -4.983 1.00 0.00 C ATOM 1188 O LYS A 72 -2.942 -17.967 -4.686 1.00 0.00 O ATOM 1189 CB LYS A 72 -5.021 -15.272 -4.197 1.00 0.00 C ATOM 1190 CG LYS A 72 -6.036 -16.414 -4.087 1.00 0.00 C ATOM 1191 CD LYS A 72 -6.247 -16.776 -2.615 1.00 0.00 C ATOM 1192 CE LYS A 72 -6.473 -18.285 -2.486 1.00 0.00 C ATOM 1193 NZ LYS A 72 -7.915 -18.592 -2.706 1.00 0.00 N ATOM 0 H LYS A 72 -3.033 -13.771 -4.246 1.00 0.00 H new ATOM 0 HA LYS A 72 -3.591 -16.275 -2.932 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -5.273 -14.481 -3.491 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -5.060 -14.834 -5.194 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -6.983 -16.117 -4.538 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -5.680 -17.284 -4.638 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -5.379 -16.476 -2.028 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -7.104 -16.234 -2.216 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -5.861 -18.819 -3.214 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -6.164 -18.627 -1.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -8.069 -19.617 -2.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -8.488 -18.094 -1.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -8.195 -18.280 -3.658 1.00 0.00 H new ATOM 1207 N SER A 73 -3.195 -16.406 -6.224 1.00 0.00 N ATOM 1208 CA SER A 73 -2.826 -17.344 -7.324 1.00 0.00 C ATOM 1209 C SER A 73 -1.312 -17.294 -7.557 1.00 0.00 C ATOM 1210 O SER A 73 -0.845 -16.859 -8.595 1.00 0.00 O ATOM 1211 CB SER A 73 -3.561 -16.937 -8.603 1.00 0.00 C ATOM 1212 OG SER A 73 -3.026 -17.661 -9.702 1.00 0.00 O ATOM 0 H SER A 73 -3.417 -15.456 -6.523 1.00 0.00 H new ATOM 0 HA SER A 73 -3.111 -18.360 -7.050 1.00 0.00 H new ATOM 0 HB2 SER A 73 -4.627 -17.140 -8.504 1.00 0.00 H new ATOM 0 HB3 SER A 73 -3.455 -15.865 -8.772 1.00 0.00 H new ATOM 0 HG SER A 73 -2.096 -17.390 -9.850 1.00 0.00 H new ATOM 1218 N GLY A 74 -0.542 -17.739 -6.597 1.00 0.00 N ATOM 1219 CA GLY A 74 0.942 -17.725 -6.753 1.00 0.00 C ATOM 1220 C GLY A 74 1.432 -19.135 -7.086 1.00 0.00 C ATOM 1221 O GLY A 74 1.237 -19.624 -8.185 1.00 0.00 O ATOM 0 H GLY A 74 -0.879 -18.112 -5.710 1.00 0.00 H new ATOM 0 HA2 GLY A 74 1.229 -17.032 -7.544 1.00 0.00 H new ATOM 0 HA3 GLY A 74 1.412 -17.372 -5.835 1.00 0.00 H new ATOM 1225 N SER A 75 2.063 -19.789 -6.147 1.00 0.00 N ATOM 1226 CA SER A 75 2.568 -21.171 -6.397 1.00 0.00 C ATOM 1227 C SER A 75 2.222 -22.066 -5.203 1.00 0.00 C ATOM 1228 O SER A 75 1.326 -22.885 -5.273 1.00 0.00 O ATOM 1229 CB SER A 75 4.086 -21.129 -6.585 1.00 0.00 C ATOM 1230 OG SER A 75 4.383 -20.841 -7.947 1.00 0.00 O ATOM 0 H SER A 75 2.251 -19.424 -5.213 1.00 0.00 H new ATOM 0 HA SER A 75 2.101 -21.574 -7.296 1.00 0.00 H new ATOM 0 HB2 SER A 75 4.523 -20.370 -5.937 1.00 0.00 H new ATOM 0 HB3 SER A 75 4.526 -22.084 -6.299 1.00 0.00 H new ATOM 0 HG SER A 75 5.355 -20.812 -8.071 1.00 0.00 H new ATOM 1236 N MET A 76 2.926 -21.909 -4.110 1.00 0.00 N ATOM 1237 CA MET A 76 2.647 -22.742 -2.903 1.00 0.00 C ATOM 1238 C MET A 76 3.569 -22.293 -1.764 1.00 0.00 C ATOM 1239 O MET A 76 3.154 -21.603 -0.852 1.00 0.00 O ATOM 1240 CB MET A 76 2.902 -24.223 -3.229 1.00 0.00 C ATOM 1241 CG MET A 76 1.577 -24.993 -3.227 1.00 0.00 C ATOM 1242 SD MET A 76 1.906 -26.765 -3.050 1.00 0.00 S ATOM 1243 CE MET A 76 2.504 -27.055 -4.733 1.00 0.00 C ATOM 0 H MET A 76 3.685 -21.236 -4.003 1.00 0.00 H new ATOM 0 HA MET A 76 1.607 -22.620 -2.601 1.00 0.00 H new ATOM 0 HB2 MET A 76 3.383 -24.312 -4.203 1.00 0.00 H new ATOM 0 HB3 MET A 76 3.584 -24.654 -2.496 1.00 0.00 H new ATOM 0 HG2 MET A 76 0.944 -24.647 -2.410 1.00 0.00 H new ATOM 0 HG3 MET A 76 1.033 -24.804 -4.153 1.00 0.00 H new ATOM 0 HE1 MET A 76 1.899 -27.829 -5.206 1.00 0.00 H new ATOM 0 HE2 MET A 76 2.429 -26.133 -5.310 1.00 0.00 H new ATOM 0 HE3 MET A 76 3.544 -27.378 -4.699 1.00 0.00 H new ATOM 1253 N LEU A 77 4.819 -22.680 -1.815 1.00 0.00 N ATOM 1254 CA LEU A 77 5.781 -22.280 -0.746 1.00 0.00 C ATOM 1255 C LEU A 77 6.124 -20.795 -0.904 1.00 0.00 C ATOM 1256 O LEU A 77 6.616 -20.372 -1.933 1.00 0.00 O ATOM 1257 CB LEU A 77 7.056 -23.118 -0.873 1.00 0.00 C ATOM 1258 CG LEU A 77 7.626 -22.983 -2.297 1.00 0.00 C ATOM 1259 CD1 LEU A 77 8.951 -22.218 -2.257 1.00 0.00 C ATOM 1260 CD2 LEU A 77 7.866 -24.373 -2.894 1.00 0.00 C ATOM 0 H LEU A 77 5.215 -23.259 -2.556 1.00 0.00 H new ATOM 0 HA LEU A 77 5.333 -22.447 0.234 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.794 -22.787 -0.143 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.839 -24.164 -0.656 1.00 0.00 H new ATOM 0 HG LEU A 77 6.910 -22.439 -2.913 1.00 0.00 H new ATOM 0 HD11 LEU A 77 9.349 -22.126 -3.268 1.00 0.00 H new ATOM 0 HD12 LEU A 77 8.785 -21.224 -1.841 1.00 0.00 H new ATOM 0 HD13 LEU A 77 9.664 -22.758 -1.634 1.00 0.00 H new ATOM 0 HD21 LEU A 77 8.269 -24.272 -3.902 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.576 -24.918 -2.272 1.00 0.00 H new ATOM 0 HD23 LEU A 77 6.924 -24.920 -2.934 1.00 0.00 H new ATOM 1272 N SER A 78 5.864 -20.005 0.107 1.00 0.00 N ATOM 1273 CA SER A 78 6.167 -18.545 0.019 1.00 0.00 C ATOM 1274 C SER A 78 7.132 -18.148 1.137 1.00 0.00 C ATOM 1275 O SER A 78 8.151 -17.529 0.896 1.00 0.00 O ATOM 1276 CB SER A 78 4.870 -17.750 0.166 1.00 0.00 C ATOM 1277 OG SER A 78 4.263 -18.069 1.411 1.00 0.00 O ATOM 0 H SER A 78 5.454 -20.309 0.990 1.00 0.00 H new ATOM 0 HA SER A 78 6.625 -18.330 -0.946 1.00 0.00 H new ATOM 0 HB2 SER A 78 5.077 -16.681 0.112 1.00 0.00 H new ATOM 0 HB3 SER A 78 4.191 -17.985 -0.654 1.00 0.00 H new ATOM 0 HG SER A 78 3.432 -17.560 1.510 1.00 0.00 H new ATOM 1283 N ASN A 79 6.813 -18.493 2.360 1.00 0.00 N ATOM 1284 CA ASN A 79 7.701 -18.134 3.508 1.00 0.00 C ATOM 1285 C ASN A 79 7.804 -16.609 3.612 1.00 0.00 C ATOM 1286 O ASN A 79 8.883 -16.049 3.684 1.00 0.00 O ATOM 1287 CB ASN A 79 9.096 -18.737 3.296 1.00 0.00 C ATOM 1288 CG ASN A 79 8.970 -20.236 3.016 1.00 0.00 C ATOM 1289 OD1 ASN A 79 9.675 -20.772 2.184 1.00 0.00 O ATOM 1290 ND2 ASN A 79 8.092 -20.941 3.677 1.00 0.00 N ATOM 0 H ASN A 79 5.971 -19.010 2.613 1.00 0.00 H new ATOM 0 HA ASN A 79 7.280 -18.533 4.431 1.00 0.00 H new ATOM 0 HB2 ASN A 79 9.595 -18.242 2.463 1.00 0.00 H new ATOM 0 HB3 ASN A 79 9.713 -18.572 4.180 1.00 0.00 H new ATOM 0 HD21 ASN A 79 7.999 -21.940 3.495 1.00 0.00 H new ATOM 0 HD22 ASN A 79 7.500 -20.493 4.376 1.00 0.00 H new ATOM 1297 N ASN A 80 6.680 -15.934 3.620 1.00 0.00 N ATOM 1298 CA ASN A 80 6.684 -14.442 3.720 1.00 0.00 C ATOM 1299 C ASN A 80 7.473 -13.843 2.553 1.00 0.00 C ATOM 1300 O ASN A 80 8.685 -13.739 2.599 1.00 0.00 O ATOM 1301 CB ASN A 80 7.329 -14.019 5.044 1.00 0.00 C ATOM 1302 CG ASN A 80 6.286 -14.085 6.162 1.00 0.00 C ATOM 1303 OD1 ASN A 80 5.977 -15.150 6.658 1.00 0.00 O ATOM 1304 ND2 ASN A 80 5.731 -12.983 6.584 1.00 0.00 N ATOM 0 H ASN A 80 5.754 -16.357 3.561 1.00 0.00 H new ATOM 0 HA ASN A 80 5.657 -14.079 3.682 1.00 0.00 H new ATOM 0 HB2 ASN A 80 8.170 -14.673 5.277 1.00 0.00 H new ATOM 0 HB3 ASN A 80 7.726 -13.007 4.961 1.00 0.00 H new ATOM 0 HD21 ASN A 80 5.037 -13.015 7.331 1.00 0.00 H new ATOM 0 HD22 ASN A 80 5.991 -12.089 6.167 1.00 0.00 H new ATOM 1311 N ASP A 81 6.791 -13.451 1.506 1.00 0.00 N ATOM 1312 CA ASP A 81 7.488 -12.856 0.328 1.00 0.00 C ATOM 1313 C ASP A 81 7.084 -11.387 0.186 1.00 0.00 C ATOM 1314 O ASP A 81 6.215 -10.905 0.888 1.00 0.00 O ATOM 1315 CB ASP A 81 7.088 -13.619 -0.937 1.00 0.00 C ATOM 1316 CG ASP A 81 8.175 -13.454 -2.001 1.00 0.00 C ATOM 1317 OD1 ASP A 81 9.323 -13.729 -1.695 1.00 0.00 O ATOM 1318 OD2 ASP A 81 7.840 -13.053 -3.103 1.00 0.00 O ATOM 0 H ASP A 81 5.777 -13.518 1.418 1.00 0.00 H new ATOM 0 HA ASP A 81 8.567 -12.924 0.469 1.00 0.00 H new ATOM 0 HB2 ASP A 81 6.947 -14.675 -0.708 1.00 0.00 H new ATOM 0 HB3 ASP A 81 6.136 -13.245 -1.314 1.00 0.00 H new ATOM 1323 N SER A 82 7.709 -10.673 -0.718 1.00 0.00 N ATOM 1324 CA SER A 82 7.367 -9.235 -0.914 1.00 0.00 C ATOM 1325 C SER A 82 6.657 -9.056 -2.260 1.00 0.00 C ATOM 1326 O SER A 82 7.187 -8.467 -3.184 1.00 0.00 O ATOM 1327 CB SER A 82 8.649 -8.402 -0.888 1.00 0.00 C ATOM 1328 OG SER A 82 8.321 -7.031 -1.069 1.00 0.00 O ATOM 0 H SER A 82 8.444 -11.028 -1.330 1.00 0.00 H new ATOM 0 HA SER A 82 6.705 -8.903 -0.114 1.00 0.00 H new ATOM 0 HB2 SER A 82 9.168 -8.542 0.060 1.00 0.00 H new ATOM 0 HB3 SER A 82 9.327 -8.733 -1.675 1.00 0.00 H new ATOM 0 HG SER A 82 9.140 -6.494 -1.051 1.00 0.00 H new ATOM 1334 N ARG A 83 5.455 -9.559 -2.370 1.00 0.00 N ATOM 1335 CA ARG A 83 4.690 -9.425 -3.644 1.00 0.00 C ATOM 1336 C ARG A 83 3.297 -8.877 -3.331 1.00 0.00 C ATOM 1337 O ARG A 83 2.466 -9.562 -2.762 1.00 0.00 O ATOM 1338 CB ARG A 83 4.569 -10.797 -4.316 1.00 0.00 C ATOM 1339 CG ARG A 83 5.945 -11.250 -4.833 1.00 0.00 C ATOM 1340 CD ARG A 83 5.934 -11.334 -6.365 1.00 0.00 C ATOM 1341 NE ARG A 83 6.588 -12.603 -6.795 1.00 0.00 N ATOM 1342 CZ ARG A 83 5.877 -13.554 -7.332 1.00 0.00 C ATOM 1343 NH1 ARG A 83 5.025 -13.276 -8.279 1.00 0.00 N ATOM 1344 NH2 ARG A 83 6.015 -14.784 -6.920 1.00 0.00 N ATOM 0 H ARG A 83 4.968 -10.060 -1.627 1.00 0.00 H new ATOM 0 HA ARG A 83 5.209 -8.744 -4.318 1.00 0.00 H new ATOM 0 HB2 ARG A 83 4.180 -11.526 -3.606 1.00 0.00 H new ATOM 0 HB3 ARG A 83 3.859 -10.746 -5.142 1.00 0.00 H new ATOM 0 HG2 ARG A 83 6.713 -10.550 -4.505 1.00 0.00 H new ATOM 0 HG3 ARG A 83 6.199 -12.222 -4.410 1.00 0.00 H new ATOM 0 HD2 ARG A 83 4.909 -11.296 -6.735 1.00 0.00 H new ATOM 0 HD3 ARG A 83 6.459 -10.479 -6.791 1.00 0.00 H new ATOM 0 HE ARG A 83 7.593 -12.727 -6.669 1.00 0.00 H new ATOM 0 HH11 ARG A 83 4.915 -12.314 -8.600 1.00 0.00 H new ATOM 0 HH12 ARG A 83 4.469 -14.021 -8.699 1.00 0.00 H new ATOM 0 HH21 ARG A 83 6.680 -15.002 -6.177 1.00 0.00 H new ATOM 0 HH22 ARG A 83 5.458 -15.528 -7.340 1.00 0.00 H new ATOM 1358 N TRP A 84 3.042 -7.643 -3.684 1.00 0.00 N ATOM 1359 CA TRP A 84 1.709 -7.035 -3.397 1.00 0.00 C ATOM 1360 C TRP A 84 0.968 -6.767 -4.707 1.00 0.00 C ATOM 1361 O TRP A 84 1.518 -6.208 -5.634 1.00 0.00 O ATOM 1362 CB TRP A 84 1.904 -5.705 -2.663 1.00 0.00 C ATOM 1363 CG TRP A 84 2.521 -5.941 -1.321 1.00 0.00 C ATOM 1364 CD1 TRP A 84 3.698 -6.574 -1.101 1.00 0.00 C ATOM 1365 CD2 TRP A 84 2.019 -5.548 -0.012 1.00 0.00 C ATOM 1366 NE1 TRP A 84 3.946 -6.596 0.259 1.00 0.00 N ATOM 1367 CE2 TRP A 84 2.939 -5.977 0.973 1.00 0.00 C ATOM 1368 CE3 TRP A 84 0.862 -4.868 0.413 1.00 0.00 C ATOM 1369 CZ2 TRP A 84 2.721 -5.739 2.331 1.00 0.00 C ATOM 1370 CZ3 TRP A 84 0.640 -4.627 1.780 1.00 0.00 C ATOM 1371 CH2 TRP A 84 1.568 -5.062 2.736 1.00 0.00 C ATOM 0 H TRP A 84 3.702 -7.029 -4.160 1.00 0.00 H new ATOM 0 HA TRP A 84 1.130 -7.723 -2.781 1.00 0.00 H new ATOM 0 HB2 TRP A 84 2.541 -5.046 -3.253 1.00 0.00 H new ATOM 0 HB3 TRP A 84 0.944 -5.201 -2.547 1.00 0.00 H new ATOM 0 HD1 TRP A 84 4.338 -6.993 -1.863 1.00 0.00 H new ATOM 0 HE1 TRP A 84 4.772 -7.018 0.683 1.00 0.00 H new ATOM 0 HE3 TRP A 84 0.140 -4.529 -0.316 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 3.439 -6.076 3.064 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -0.251 -4.104 2.095 1.00 0.00 H new ATOM 0 HH2 TRP A 84 1.392 -4.874 3.785 1.00 0.00 H new ATOM 1382 N GLU A 85 -0.281 -7.146 -4.782 1.00 0.00 N ATOM 1383 CA GLU A 85 -1.068 -6.897 -6.025 1.00 0.00 C ATOM 1384 C GLU A 85 -2.423 -6.297 -5.642 1.00 0.00 C ATOM 1385 O GLU A 85 -3.159 -6.861 -4.854 1.00 0.00 O ATOM 1386 CB GLU A 85 -1.278 -8.212 -6.783 1.00 0.00 C ATOM 1387 CG GLU A 85 -1.950 -9.235 -5.866 1.00 0.00 C ATOM 1388 CD GLU A 85 -1.948 -10.608 -6.543 1.00 0.00 C ATOM 1389 OE1 GLU A 85 -0.962 -11.314 -6.406 1.00 0.00 O ATOM 1390 OE2 GLU A 85 -2.934 -10.930 -7.186 1.00 0.00 O ATOM 0 H GLU A 85 -0.790 -7.618 -4.035 1.00 0.00 H new ATOM 0 HA GLU A 85 -0.526 -6.204 -6.669 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -1.895 -8.040 -7.665 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -0.321 -8.597 -7.134 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -1.423 -9.287 -4.913 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -2.973 -8.927 -5.648 1.00 0.00 H new ATOM 1397 N PHE A 86 -2.752 -5.152 -6.184 1.00 0.00 N ATOM 1398 CA PHE A 86 -4.053 -4.506 -5.843 1.00 0.00 C ATOM 1399 C PHE A 86 -5.021 -4.635 -7.019 1.00 0.00 C ATOM 1400 O PHE A 86 -4.782 -4.110 -8.091 1.00 0.00 O ATOM 1401 CB PHE A 86 -3.817 -3.027 -5.538 1.00 0.00 C ATOM 1402 CG PHE A 86 -3.222 -2.888 -4.159 1.00 0.00 C ATOM 1403 CD1 PHE A 86 -1.962 -3.429 -3.881 1.00 0.00 C ATOM 1404 CD2 PHE A 86 -3.932 -2.219 -3.157 1.00 0.00 C ATOM 1405 CE1 PHE A 86 -1.411 -3.300 -2.599 1.00 0.00 C ATOM 1406 CE2 PHE A 86 -3.384 -2.090 -1.876 1.00 0.00 C ATOM 1407 CZ PHE A 86 -2.123 -2.630 -1.596 1.00 0.00 C ATOM 0 H PHE A 86 -2.174 -4.637 -6.849 1.00 0.00 H new ATOM 0 HA PHE A 86 -4.483 -4.998 -4.970 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -3.147 -2.594 -6.280 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -4.757 -2.478 -5.598 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -1.414 -3.946 -4.655 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -4.904 -1.801 -3.372 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -0.438 -3.717 -2.385 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -3.934 -1.574 -1.103 1.00 0.00 H new ATOM 0 HZ PHE A 86 -1.700 -2.530 -0.607 1.00 0.00 H new ATOM 1417 N GLU A 87 -6.115 -5.326 -6.819 1.00 0.00 N ATOM 1418 CA GLU A 87 -7.115 -5.492 -7.911 1.00 0.00 C ATOM 1419 C GLU A 87 -8.164 -4.382 -7.806 1.00 0.00 C ATOM 1420 O GLU A 87 -8.605 -4.034 -6.725 1.00 0.00 O ATOM 1421 CB GLU A 87 -7.797 -6.855 -7.773 1.00 0.00 C ATOM 1422 CG GLU A 87 -6.825 -7.959 -8.194 1.00 0.00 C ATOM 1423 CD GLU A 87 -7.494 -9.323 -8.018 1.00 0.00 C ATOM 1424 OE1 GLU A 87 -8.199 -9.493 -7.038 1.00 0.00 O ATOM 1425 OE2 GLU A 87 -7.288 -10.176 -8.867 1.00 0.00 O ATOM 0 H GLU A 87 -6.357 -5.784 -5.940 1.00 0.00 H new ATOM 0 HA GLU A 87 -6.616 -5.433 -8.878 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -8.116 -7.011 -6.742 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -8.693 -6.889 -8.393 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -6.528 -7.819 -9.233 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -5.917 -7.907 -7.593 1.00 0.00 H new ATOM 1432 N ASN A 88 -8.565 -3.823 -8.922 1.00 0.00 N ATOM 1433 CA ASN A 88 -9.584 -2.732 -8.897 1.00 0.00 C ATOM 1434 C ASN A 88 -10.856 -3.206 -9.602 1.00 0.00 C ATOM 1435 O ASN A 88 -10.816 -4.069 -10.459 1.00 0.00 O ATOM 1436 CB ASN A 88 -9.029 -1.502 -9.618 1.00 0.00 C ATOM 1437 CG ASN A 88 -9.779 -0.253 -9.153 1.00 0.00 C ATOM 1438 OD1 ASN A 88 -10.588 0.290 -9.878 1.00 0.00 O ATOM 1439 ND2 ASN A 88 -9.543 0.229 -7.962 1.00 0.00 N ATOM 0 H ASN A 88 -8.228 -4.077 -9.851 1.00 0.00 H new ATOM 0 HA ASN A 88 -9.817 -2.474 -7.864 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -7.964 -1.397 -9.412 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -9.135 -1.622 -10.696 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -10.038 1.061 -7.641 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -8.864 -0.227 -7.353 1.00 0.00 H new ATOM 1446 N GLU A 89 -11.984 -2.647 -9.245 1.00 0.00 N ATOM 1447 CA GLU A 89 -13.268 -3.058 -9.886 1.00 0.00 C ATOM 1448 C GLU A 89 -13.722 -1.966 -10.863 1.00 0.00 C ATOM 1449 O GLU A 89 -14.403 -2.238 -11.834 1.00 0.00 O ATOM 1450 CB GLU A 89 -14.334 -3.263 -8.798 1.00 0.00 C ATOM 1451 CG GLU A 89 -15.014 -4.623 -8.986 1.00 0.00 C ATOM 1452 CD GLU A 89 -14.073 -5.733 -8.514 1.00 0.00 C ATOM 1453 OE1 GLU A 89 -12.959 -5.787 -9.008 1.00 0.00 O ATOM 1454 OE2 GLU A 89 -14.483 -6.509 -7.667 1.00 0.00 O ATOM 0 H GLU A 89 -12.070 -1.921 -8.534 1.00 0.00 H new ATOM 0 HA GLU A 89 -13.127 -3.990 -10.432 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -13.874 -3.210 -7.811 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -15.075 -2.466 -8.848 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -15.946 -4.657 -8.421 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -15.271 -4.771 -10.035 1.00 0.00 H new ATOM 1461 N ARG A 90 -13.350 -0.734 -10.612 1.00 0.00 N ATOM 1462 CA ARG A 90 -13.755 0.384 -11.519 1.00 0.00 C ATOM 1463 C ARG A 90 -15.284 0.466 -11.588 1.00 0.00 C ATOM 1464 O ARG A 90 -15.983 -0.358 -11.031 1.00 0.00 O ATOM 1465 CB ARG A 90 -13.192 0.137 -12.924 1.00 0.00 C ATOM 1466 CG ARG A 90 -11.926 0.977 -13.128 1.00 0.00 C ATOM 1467 CD ARG A 90 -11.068 0.367 -14.244 1.00 0.00 C ATOM 1468 NE ARG A 90 -10.804 1.399 -15.286 1.00 0.00 N ATOM 1469 CZ ARG A 90 -11.585 1.487 -16.328 1.00 0.00 C ATOM 1470 NH1 ARG A 90 -11.573 0.547 -17.232 1.00 0.00 N ATOM 1471 NH2 ARG A 90 -12.377 2.514 -16.466 1.00 0.00 N ATOM 0 H ARG A 90 -12.780 -0.454 -9.814 1.00 0.00 H new ATOM 0 HA ARG A 90 -13.360 1.323 -11.130 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -12.963 -0.921 -13.054 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -13.937 0.396 -13.676 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -12.196 2.001 -13.384 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -11.355 1.020 -12.201 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -10.127 -0.001 -13.835 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -11.580 -0.488 -14.685 1.00 0.00 H new ATOM 0 HE ARG A 90 -10.014 2.036 -15.185 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -10.954 -0.256 -17.124 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -12.183 0.615 -18.047 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -12.386 3.249 -15.759 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -12.987 2.582 -17.281 1.00 0.00 H new ATOM 1485 N HIS A 91 -15.799 1.455 -12.272 1.00 0.00 N ATOM 1486 CA HIS A 91 -17.280 1.602 -12.387 1.00 0.00 C ATOM 1487 C HIS A 91 -17.693 1.411 -13.849 1.00 0.00 C ATOM 1488 O HIS A 91 -17.702 2.348 -14.625 1.00 0.00 O ATOM 1489 CB HIS A 91 -17.688 3.003 -11.911 1.00 0.00 C ATOM 1490 CG HIS A 91 -18.363 2.910 -10.569 1.00 0.00 C ATOM 1491 ND1 HIS A 91 -17.830 3.495 -9.431 1.00 0.00 N ATOM 1492 CD2 HIS A 91 -19.527 2.303 -10.170 1.00 0.00 C ATOM 1493 CE1 HIS A 91 -18.667 3.231 -8.411 1.00 0.00 C ATOM 1494 NE2 HIS A 91 -19.717 2.507 -8.806 1.00 0.00 N ATOM 0 H HIS A 91 -15.256 2.169 -12.757 1.00 0.00 H new ATOM 0 HA HIS A 91 -17.776 0.853 -11.770 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -16.809 3.644 -11.842 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -18.361 3.461 -12.636 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -20.194 1.751 -10.816 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -18.509 3.564 -7.396 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -20.492 2.175 -8.232 1.00 0.00 H new ATOM 1502 N ALA A 92 -18.035 0.206 -14.226 1.00 0.00 N ATOM 1503 CA ALA A 92 -18.449 -0.054 -15.635 1.00 0.00 C ATOM 1504 C ALA A 92 -19.510 -1.156 -15.663 1.00 0.00 C ATOM 1505 O ALA A 92 -19.488 -1.992 -14.775 1.00 0.00 O ATOM 1506 CB ALA A 92 -17.231 -0.496 -16.448 1.00 0.00 C ATOM 1507 OXT ALA A 92 -20.326 -1.142 -16.569 1.00 0.00 O ATOM 0 H ALA A 92 -18.045 -0.611 -13.616 1.00 0.00 H new ATOM 0 HA ALA A 92 -18.864 0.857 -16.066 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -17.531 -0.687 -17.478 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -16.476 0.290 -16.429 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -16.816 -1.407 -16.016 1.00 0.00 H new TER 1513 ALA A 92