USER MOD reduce.3.24.130724 H: found=0, std=0, add=742, rem=0, adj=19 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 1 ALA N :NH3+ 175:sc= 0.0424 (180deg=-0.128) USER MOD Set 1.2: A 7 ASN : amide:sc= 0.0777 K(o=0.12,f=-6.2!) USER MOD Single : A 8 LYS NZ :NH3+ -153:sc= -0.333 (180deg=-2.01) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 MET CE :methyl 141:sc= -0.632 (180deg=-3.34!) USER MOD Single : A 14 ASN : amide:sc= -1.08 X(o=-1.1,f=-1.3!) 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 18 ASN : amide:sc= -0.584 K(o=-0.58,f=-2.8) USER MOD Single : A 20 LYS NZ :NH3+ -157:sc= -0.0194 (180deg=-0.435) USER MOD Single : A 23 HIS : no HD1:sc= -0.142 X(o=-0.14,f=0) 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= -0.449 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -1.51 K(o=-1.5,f=-5.6!) USER MOD Single : A 41 GLN : amide:sc= -0.0309 X(o=-0.031,f=-0.36) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 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=-0.012) USER MOD Single : A 51 SER OG : rot 140:sc= -1.15 USER MOD Single : A 52 ASN : amide:sc= -0.179 X(o=-0.18,f=-0.052) USER MOD Single : A 55 SER OG : rot -153:sc= 0.97 USER MOD Single : A 59 GLN : amide:sc= -0.412 X(o=-0.41,f=-0.32) USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=0.26) USER MOD Single : A 62 MET CE :methyl 156:sc= -0.214 (180deg=-1.45!) USER MOD Single : A 63 TYR OH : rot 165:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= -0.24 X(o=-0.24,f=-0.11) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -0.699 X(o=-0.7,f=-0.7) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -0.723 K(o=-0.72,f=-0.079) USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=0.13) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= -1.79 K(o=-1.8,f=-4!) USER MOD Single : A 91 HIS : no HD1:sc= -0.319 X(o=-0.32,f=-0.55) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -12.190 13.106 -8.738 1.00 0.00 N ATOM 2 CA ALA A 1 -12.308 14.591 -8.766 1.00 0.00 C ATOM 3 C ALA A 1 -12.614 15.103 -7.357 1.00 0.00 C ATOM 4 O ALA A 1 -12.089 16.114 -6.927 1.00 0.00 O ATOM 5 CB ALA A 1 -13.438 14.994 -9.717 1.00 0.00 C ATOM 0 H1 ALA A 1 -12.066 12.749 -9.707 1.00 0.00 H new ATOM 0 H2 ALA A 1 -11.368 12.834 -8.161 1.00 0.00 H new ATOM 0 H3 ALA A 1 -13.053 12.697 -8.326 1.00 0.00 H new ATOM 0 HA ALA A 1 -11.371 15.026 -9.113 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -13.525 16.080 -9.738 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -13.218 14.628 -10.720 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -14.377 14.561 -9.371 1.00 0.00 H new ATOM 13 N ARG A 2 -13.457 14.410 -6.636 1.00 0.00 N ATOM 14 CA ARG A 2 -13.804 14.847 -5.250 1.00 0.00 C ATOM 15 C ARG A 2 -12.689 14.433 -4.277 1.00 0.00 C ATOM 16 O ARG A 2 -12.204 15.252 -3.519 1.00 0.00 O ATOM 17 CB ARG A 2 -15.127 14.193 -4.824 1.00 0.00 C ATOM 18 CG ARG A 2 -16.026 15.233 -4.148 1.00 0.00 C ATOM 19 CD ARG A 2 -16.641 16.146 -5.213 1.00 0.00 C ATOM 20 NE ARG A 2 -17.805 16.876 -4.633 1.00 0.00 N ATOM 21 CZ ARG A 2 -18.890 17.042 -5.340 1.00 0.00 C ATOM 22 NH1 ARG A 2 -19.390 16.040 -6.012 1.00 0.00 N ATOM 23 NH2 ARG A 2 -19.475 18.208 -5.378 1.00 0.00 N ATOM 0 H ARG A 2 -13.922 13.557 -6.948 1.00 0.00 H new ATOM 0 HA ARG A 2 -13.910 15.932 -5.231 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -15.632 13.773 -5.694 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -14.931 13.368 -4.139 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -16.813 14.736 -3.582 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -15.447 15.823 -3.438 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -15.896 16.856 -5.573 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -16.960 15.556 -6.072 1.00 0.00 H new ATOM 0 HE ARG A 2 -17.753 17.246 -3.684 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -18.933 15.129 -5.984 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -20.238 16.169 -6.565 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -19.085 18.992 -4.855 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -20.323 18.336 -5.931 1.00 0.00 H new ATOM 37 N PRO A 3 -12.322 13.167 -4.319 1.00 0.00 N ATOM 38 CA PRO A 3 -11.257 12.711 -3.390 1.00 0.00 C ATOM 39 C PRO A 3 -9.876 13.173 -3.870 1.00 0.00 C ATOM 40 O PRO A 3 -9.389 12.756 -4.909 1.00 0.00 O ATOM 41 CB PRO A 3 -11.351 11.187 -3.410 1.00 0.00 C ATOM 42 CG PRO A 3 -12.035 10.814 -4.735 1.00 0.00 C ATOM 43 CD PRO A 3 -12.794 12.066 -5.202 1.00 0.00 C ATOM 0 HA PRO A 3 -11.385 13.121 -2.388 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -10.361 10.736 -3.343 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -11.926 10.822 -2.559 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -11.299 10.507 -5.478 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -12.718 9.976 -4.597 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -12.584 12.285 -6.249 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -13.872 11.927 -5.115 1.00 0.00 H new ATOM 51 N ALA A 4 -9.242 14.031 -3.111 1.00 0.00 N ATOM 52 CA ALA A 4 -7.892 14.534 -3.495 1.00 0.00 C ATOM 53 C ALA A 4 -6.878 13.383 -3.466 1.00 0.00 C ATOM 54 O ALA A 4 -5.863 13.436 -4.133 1.00 0.00 O ATOM 55 CB ALA A 4 -7.456 15.622 -2.510 1.00 0.00 C ATOM 0 H ALA A 4 -9.607 14.406 -2.235 1.00 0.00 H new ATOM 0 HA ALA A 4 -7.936 14.947 -4.503 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -6.469 15.991 -2.789 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -8.171 16.444 -2.536 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -7.417 15.207 -1.503 1.00 0.00 H new ATOM 61 N PHE A 5 -7.140 12.350 -2.700 1.00 0.00 N ATOM 62 CA PHE A 5 -6.185 11.202 -2.633 1.00 0.00 C ATOM 63 C PHE A 5 -6.218 10.428 -3.956 1.00 0.00 C ATOM 64 O PHE A 5 -5.191 10.156 -4.549 1.00 0.00 O ATOM 65 CB PHE A 5 -6.574 10.265 -1.485 1.00 0.00 C ATOM 66 CG PHE A 5 -5.541 9.167 -1.368 1.00 0.00 C ATOM 67 CD1 PHE A 5 -4.328 9.413 -0.714 1.00 0.00 C ATOM 68 CD2 PHE A 5 -5.790 7.909 -1.932 1.00 0.00 C ATOM 69 CE1 PHE A 5 -3.365 8.402 -0.620 1.00 0.00 C ATOM 70 CE2 PHE A 5 -4.825 6.898 -1.841 1.00 0.00 C ATOM 71 CZ PHE A 5 -3.614 7.145 -1.183 1.00 0.00 C ATOM 0 H PHE A 5 -7.973 12.254 -2.120 1.00 0.00 H new ATOM 0 HA PHE A 5 -5.180 11.585 -2.459 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -6.637 10.822 -0.550 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -7.559 9.836 -1.668 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -4.135 10.384 -0.282 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -6.726 7.719 -2.437 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -2.430 8.592 -0.113 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -5.015 5.929 -2.278 1.00 0.00 H new ATOM 0 HZ PHE A 5 -2.871 6.365 -1.110 1.00 0.00 H new ATOM 81 N VAL A 6 -7.392 10.066 -4.425 1.00 0.00 N ATOM 82 CA VAL A 6 -7.494 9.307 -5.712 1.00 0.00 C ATOM 83 C VAL A 6 -6.818 10.114 -6.826 1.00 0.00 C ATOM 84 O VAL A 6 -6.080 9.578 -7.633 1.00 0.00 O ATOM 85 CB VAL A 6 -8.971 9.075 -6.059 1.00 0.00 C ATOM 86 CG1 VAL A 6 -9.079 8.255 -7.349 1.00 0.00 C ATOM 87 CG2 VAL A 6 -9.649 8.309 -4.920 1.00 0.00 C ATOM 0 H VAL A 6 -8.283 10.265 -3.970 1.00 0.00 H new ATOM 0 HA VAL A 6 -6.998 8.342 -5.610 1.00 0.00 H new ATOM 0 HB VAL A 6 -9.460 10.039 -6.199 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -10.130 8.093 -7.590 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -8.598 8.795 -8.165 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -8.586 7.293 -7.211 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -10.698 8.144 -5.166 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -9.153 7.348 -4.782 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -9.579 8.889 -4.000 1.00 0.00 H new ATOM 97 N ASN A 7 -7.057 11.399 -6.862 1.00 0.00 N ATOM 98 CA ASN A 7 -6.422 12.253 -7.908 1.00 0.00 C ATOM 99 C ASN A 7 -4.906 12.290 -7.675 1.00 0.00 C ATOM 100 O ASN A 7 -4.127 12.427 -8.600 1.00 0.00 O ATOM 101 CB ASN A 7 -6.995 13.669 -7.819 1.00 0.00 C ATOM 102 CG ASN A 7 -8.426 13.679 -8.363 1.00 0.00 C ATOM 103 OD1 ASN A 7 -9.318 13.105 -7.769 1.00 0.00 O ATOM 104 ND2 ASN A 7 -8.687 14.310 -9.475 1.00 0.00 N ATOM 0 H ASN A 7 -7.666 11.894 -6.211 1.00 0.00 H new ATOM 0 HA ASN A 7 -6.626 11.843 -8.897 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -6.986 14.011 -6.784 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -6.374 14.360 -8.389 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -9.638 14.321 -9.844 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -7.940 14.792 -9.975 1.00 0.00 H new ATOM 111 N LYS A 8 -4.490 12.166 -6.441 1.00 0.00 N ATOM 112 CA LYS A 8 -3.032 12.187 -6.108 1.00 0.00 C ATOM 113 C LYS A 8 -2.383 10.838 -6.473 1.00 0.00 C ATOM 114 O LYS A 8 -1.177 10.738 -6.590 1.00 0.00 O ATOM 115 CB LYS A 8 -2.887 12.445 -4.597 1.00 0.00 C ATOM 116 CG LYS A 8 -1.406 12.446 -4.177 1.00 0.00 C ATOM 117 CD LYS A 8 -1.149 11.322 -3.163 1.00 0.00 C ATOM 118 CE LYS A 8 0.343 11.270 -2.830 1.00 0.00 C ATOM 119 NZ LYS A 8 1.127 11.066 -4.082 1.00 0.00 N ATOM 0 H LYS A 8 -5.107 12.049 -5.638 1.00 0.00 H new ATOM 0 HA LYS A 8 -2.532 12.972 -6.675 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -3.341 13.403 -4.343 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -3.426 11.679 -4.040 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -0.771 12.310 -5.052 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -1.144 13.409 -3.739 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -1.729 11.495 -2.257 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -1.475 10.366 -3.573 1.00 0.00 H new ATOM 0 HE2 LYS A 8 0.650 12.196 -2.343 1.00 0.00 H new ATOM 0 HE3 LYS A 8 0.542 10.460 -2.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 2.023 10.589 -3.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 0.579 10.479 -4.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 1.327 11.988 -4.521 1.00 0.00 H new ATOM 133 N LEU A 9 -3.169 9.802 -6.643 1.00 0.00 N ATOM 134 CA LEU A 9 -2.596 8.463 -6.983 1.00 0.00 C ATOM 135 C LEU A 9 -2.324 8.355 -8.494 1.00 0.00 C ATOM 136 O LEU A 9 -1.556 7.514 -8.932 1.00 0.00 O ATOM 137 CB LEU A 9 -3.591 7.376 -6.563 1.00 0.00 C ATOM 138 CG LEU A 9 -2.932 6.000 -6.676 1.00 0.00 C ATOM 139 CD1 LEU A 9 -1.780 5.900 -5.674 1.00 0.00 C ATOM 140 CD2 LEU A 9 -3.963 4.909 -6.370 1.00 0.00 C ATOM 0 H LEU A 9 -4.185 9.827 -6.560 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.652 8.335 -6.453 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.921 7.548 -5.539 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.478 7.418 -7.195 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.550 5.867 -7.688 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.311 4.919 -5.755 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.043 6.674 -5.889 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.164 6.036 -4.663 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -3.491 3.930 -6.451 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.347 5.044 -5.359 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -4.786 4.976 -7.082 1.00 0.00 H new ATOM 152 N TRP A 10 -2.946 9.193 -9.294 1.00 0.00 N ATOM 153 CA TRP A 10 -2.732 9.123 -10.777 1.00 0.00 C ATOM 154 C TRP A 10 -1.441 9.849 -11.192 1.00 0.00 C ATOM 155 O TRP A 10 -1.225 10.088 -12.366 1.00 0.00 O ATOM 156 CB TRP A 10 -3.914 9.776 -11.505 1.00 0.00 C ATOM 157 CG TRP A 10 -5.218 9.290 -10.944 1.00 0.00 C ATOM 158 CD1 TRP A 10 -6.266 10.085 -10.632 1.00 0.00 C ATOM 159 CD2 TRP A 10 -5.632 7.927 -10.631 1.00 0.00 C ATOM 160 NE1 TRP A 10 -7.297 9.301 -10.149 1.00 0.00 N ATOM 161 CE2 TRP A 10 -6.955 7.964 -10.127 1.00 0.00 C ATOM 162 CE3 TRP A 10 -4.997 6.676 -10.732 1.00 0.00 C ATOM 163 CZ2 TRP A 10 -7.623 6.801 -9.738 1.00 0.00 C ATOM 164 CZ3 TRP A 10 -5.666 5.504 -10.340 1.00 0.00 C ATOM 165 CH2 TRP A 10 -6.976 5.568 -9.845 1.00 0.00 C ATOM 0 H TRP A 10 -3.591 9.920 -8.984 1.00 0.00 H new ATOM 0 HA TRP A 10 -2.650 8.071 -11.049 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -3.853 10.860 -11.409 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -3.863 9.547 -12.570 1.00 0.00 H new ATOM 0 HD1 TRP A 10 -6.293 11.159 -10.742 1.00 0.00 H new ATOM 0 HE1 TRP A 10 -8.200 9.666 -9.846 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -3.988 6.616 -11.113 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -8.632 6.855 -9.357 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -5.168 4.549 -10.421 1.00 0.00 H new ATOM 0 HH2 TRP A 10 -7.485 4.664 -9.546 1.00 0.00 H new ATOM 176 N SER A 11 -0.584 10.201 -10.263 1.00 0.00 N ATOM 177 CA SER A 11 0.680 10.902 -10.638 1.00 0.00 C ATOM 178 C SER A 11 1.883 10.053 -10.211 1.00 0.00 C ATOM 179 O SER A 11 2.906 10.043 -10.870 1.00 0.00 O ATOM 180 CB SER A 11 0.738 12.260 -9.940 1.00 0.00 C ATOM 181 OG SER A 11 -0.571 12.816 -9.887 1.00 0.00 O ATOM 0 H SER A 11 -0.707 10.033 -9.265 1.00 0.00 H new ATOM 0 HA SER A 11 0.706 11.049 -11.718 1.00 0.00 H new ATOM 0 HB2 SER A 11 1.139 12.148 -8.933 1.00 0.00 H new ATOM 0 HB3 SER A 11 1.409 12.930 -10.477 1.00 0.00 H new ATOM 0 HG SER A 11 -0.539 13.687 -9.438 1.00 0.00 H new ATOM 187 N MET A 12 1.767 9.346 -9.114 1.00 0.00 N ATOM 188 CA MET A 12 2.903 8.503 -8.639 1.00 0.00 C ATOM 189 C MET A 12 2.805 7.090 -9.232 1.00 0.00 C ATOM 190 O MET A 12 3.813 6.469 -9.514 1.00 0.00 O ATOM 191 CB MET A 12 2.886 8.429 -7.103 1.00 0.00 C ATOM 192 CG MET A 12 1.592 7.761 -6.612 1.00 0.00 C ATOM 193 SD MET A 12 1.902 6.010 -6.270 1.00 0.00 S ATOM 194 CE MET A 12 2.773 6.237 -4.698 1.00 0.00 C ATOM 0 H MET A 12 0.933 9.318 -8.528 1.00 0.00 H new ATOM 0 HA MET A 12 3.839 8.954 -8.968 1.00 0.00 H new ATOM 0 HB2 MET A 12 3.750 7.866 -6.750 1.00 0.00 H new ATOM 0 HB3 MET A 12 2.967 9.432 -6.684 1.00 0.00 H new ATOM 0 HG2 MET A 12 1.233 8.259 -5.712 1.00 0.00 H new ATOM 0 HG3 MET A 12 0.811 7.862 -7.365 1.00 0.00 H new ATOM 0 HE1 MET A 12 2.475 5.454 -4.001 1.00 0.00 H new ATOM 0 HE2 MET A 12 3.848 6.183 -4.867 1.00 0.00 H new ATOM 0 HE3 MET A 12 2.520 7.211 -4.279 1.00 0.00 H new ATOM 204 N VAL A 13 1.610 6.574 -9.421 1.00 0.00 N ATOM 205 CA VAL A 13 1.482 5.195 -9.989 1.00 0.00 C ATOM 206 C VAL A 13 1.885 5.185 -11.471 1.00 0.00 C ATOM 207 O VAL A 13 2.028 4.134 -12.066 1.00 0.00 O ATOM 208 CB VAL A 13 0.038 4.700 -9.841 1.00 0.00 C ATOM 209 CG1 VAL A 13 -0.053 3.234 -10.272 1.00 0.00 C ATOM 210 CG2 VAL A 13 -0.385 4.806 -8.377 1.00 0.00 C ATOM 0 H VAL A 13 0.730 7.043 -9.209 1.00 0.00 H new ATOM 0 HA VAL A 13 2.149 4.530 -9.440 1.00 0.00 H new ATOM 0 HB VAL A 13 -0.614 5.310 -10.466 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.081 2.886 -10.165 1.00 0.00 H new ATOM 0 HG12 VAL A 13 0.255 3.141 -11.313 1.00 0.00 H new ATOM 0 HG13 VAL A 13 0.602 2.629 -9.645 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.411 4.455 -8.268 1.00 0.00 H new ATOM 0 HG22 VAL A 13 0.275 4.194 -7.762 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -0.321 5.845 -8.054 1.00 0.00 H new ATOM 220 N ASN A 14 2.079 6.338 -12.080 1.00 0.00 N ATOM 221 CA ASN A 14 2.474 6.366 -13.525 1.00 0.00 C ATOM 222 C ASN A 14 3.743 5.520 -13.740 1.00 0.00 C ATOM 223 O ASN A 14 3.647 4.327 -13.946 1.00 0.00 O ATOM 224 CB ASN A 14 2.709 7.814 -13.970 1.00 0.00 C ATOM 225 CG ASN A 14 1.371 8.549 -14.040 1.00 0.00 C ATOM 226 OD1 ASN A 14 0.672 8.652 -13.054 1.00 0.00 O ATOM 227 ND2 ASN A 14 0.983 9.065 -15.175 1.00 0.00 N ATOM 0 H ASN A 14 1.981 7.253 -11.639 1.00 0.00 H new ATOM 0 HA ASN A 14 1.670 5.942 -14.127 1.00 0.00 H new ATOM 0 HB2 ASN A 14 3.376 8.317 -13.270 1.00 0.00 H new ATOM 0 HB3 ASN A 14 3.197 7.832 -14.944 1.00 0.00 H new ATOM 0 HD21 ASN A 14 0.091 9.556 -15.234 1.00 0.00 H new ATOM 0 HD22 ASN A 14 1.572 8.977 -16.003 1.00 0.00 H new ATOM 234 N ASP A 15 4.928 6.114 -13.679 1.00 0.00 N ATOM 235 CA ASP A 15 6.209 5.334 -13.872 1.00 0.00 C ATOM 236 C ASP A 15 7.369 6.279 -14.219 1.00 0.00 C ATOM 237 O ASP A 15 8.519 5.929 -14.052 1.00 0.00 O ATOM 238 CB ASP A 15 6.089 4.307 -15.012 1.00 0.00 C ATOM 239 CG ASP A 15 5.332 4.917 -16.197 1.00 0.00 C ATOM 240 OD1 ASP A 15 5.841 5.862 -16.778 1.00 0.00 O ATOM 241 OD2 ASP A 15 4.254 4.432 -16.497 1.00 0.00 O ATOM 0 H ASP A 15 5.060 7.110 -13.503 1.00 0.00 H new ATOM 0 HA ASP A 15 6.399 4.815 -12.933 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.082 3.989 -15.330 1.00 0.00 H new ATOM 0 HB3 ASP A 15 5.568 3.418 -14.657 1.00 0.00 H new ATOM 246 N LYS A 16 7.087 7.457 -14.723 1.00 0.00 N ATOM 247 CA LYS A 16 8.188 8.401 -15.100 1.00 0.00 C ATOM 248 C LYS A 16 9.104 8.673 -13.896 1.00 0.00 C ATOM 249 O LYS A 16 10.312 8.725 -14.033 1.00 0.00 O ATOM 250 CB LYS A 16 7.580 9.719 -15.588 1.00 0.00 C ATOM 251 CG LYS A 16 7.253 9.616 -17.084 1.00 0.00 C ATOM 252 CD LYS A 16 8.357 10.295 -17.913 1.00 0.00 C ATOM 253 CE LYS A 16 7.788 11.493 -18.686 1.00 0.00 C ATOM 254 NZ LYS A 16 7.989 11.280 -20.148 1.00 0.00 N ATOM 0 H LYS A 16 6.143 7.806 -14.890 1.00 0.00 H new ATOM 0 HA LYS A 16 8.782 7.949 -15.894 1.00 0.00 H new ATOM 0 HB2 LYS A 16 6.676 9.944 -15.023 1.00 0.00 H new ATOM 0 HB3 LYS A 16 8.277 10.539 -15.414 1.00 0.00 H new ATOM 0 HG2 LYS A 16 7.162 8.569 -17.373 1.00 0.00 H new ATOM 0 HG3 LYS A 16 6.292 10.088 -17.288 1.00 0.00 H new ATOM 0 HD2 LYS A 16 9.161 10.627 -17.256 1.00 0.00 H new ATOM 0 HD3 LYS A 16 8.790 9.577 -18.610 1.00 0.00 H new ATOM 0 HE2 LYS A 16 6.727 11.610 -18.467 1.00 0.00 H new ATOM 0 HE3 LYS A 16 8.282 12.412 -18.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 7.604 12.091 -20.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 9.005 11.188 -20.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 7.498 10.412 -20.443 1.00 0.00 H new ATOM 268 N SER A 17 8.542 8.851 -12.725 1.00 0.00 N ATOM 269 CA SER A 17 9.388 9.124 -11.521 1.00 0.00 C ATOM 270 C SER A 17 9.371 7.908 -10.591 1.00 0.00 C ATOM 271 O SER A 17 9.488 8.033 -9.386 1.00 0.00 O ATOM 272 CB SER A 17 8.847 10.350 -10.780 1.00 0.00 C ATOM 273 OG SER A 17 9.939 11.151 -10.345 1.00 0.00 O ATOM 0 H SER A 17 7.537 8.819 -12.551 1.00 0.00 H new ATOM 0 HA SER A 17 10.413 9.318 -11.837 1.00 0.00 H new ATOM 0 HB2 SER A 17 8.195 10.928 -11.435 1.00 0.00 H new ATOM 0 HB3 SER A 17 8.246 10.038 -9.926 1.00 0.00 H new ATOM 0 HG SER A 17 9.599 11.938 -9.871 1.00 0.00 H new ATOM 279 N ASN A 18 9.233 6.731 -11.146 1.00 0.00 N ATOM 280 CA ASN A 18 9.211 5.483 -10.315 1.00 0.00 C ATOM 281 C ASN A 18 8.831 4.287 -11.202 1.00 0.00 C ATOM 282 O ASN A 18 8.005 3.468 -10.839 1.00 0.00 O ATOM 283 CB ASN A 18 8.200 5.607 -9.155 1.00 0.00 C ATOM 284 CG ASN A 18 6.944 6.365 -9.608 1.00 0.00 C ATOM 285 OD1 ASN A 18 6.389 6.080 -10.650 1.00 0.00 O ATOM 286 ND2 ASN A 18 6.476 7.330 -8.860 1.00 0.00 N ATOM 0 H ASN A 18 9.133 6.577 -12.149 1.00 0.00 H new ATOM 0 HA ASN A 18 10.203 5.333 -9.890 1.00 0.00 H new ATOM 0 HB2 ASN A 18 7.923 4.614 -8.800 1.00 0.00 H new ATOM 0 HB3 ASN A 18 8.663 6.128 -8.317 1.00 0.00 H new ATOM 0 HD21 ASN A 18 5.644 7.844 -9.152 1.00 0.00 H new ATOM 0 HD22 ASN A 18 6.942 7.569 -7.985 1.00 0.00 H new ATOM 293 N GLU A 19 9.434 4.180 -12.362 1.00 0.00 N ATOM 294 CA GLU A 19 9.119 3.041 -13.280 1.00 0.00 C ATOM 295 C GLU A 19 9.673 1.737 -12.684 1.00 0.00 C ATOM 296 O GLU A 19 9.160 0.665 -12.949 1.00 0.00 O ATOM 297 CB GLU A 19 9.748 3.310 -14.664 1.00 0.00 C ATOM 298 CG GLU A 19 9.595 2.086 -15.580 1.00 0.00 C ATOM 299 CD GLU A 19 8.113 1.818 -15.842 1.00 0.00 C ATOM 300 OE1 GLU A 19 7.483 1.205 -14.996 1.00 0.00 O ATOM 301 OE2 GLU A 19 7.632 2.231 -16.885 1.00 0.00 O ATOM 0 H GLU A 19 10.133 4.835 -12.713 1.00 0.00 H new ATOM 0 HA GLU A 19 8.039 2.945 -13.396 1.00 0.00 H new ATOM 0 HB2 GLU A 19 9.271 4.176 -15.123 1.00 0.00 H new ATOM 0 HB3 GLU A 19 10.804 3.553 -14.547 1.00 0.00 H new ATOM 0 HG2 GLU A 19 10.115 2.258 -16.522 1.00 0.00 H new ATOM 0 HG3 GLU A 19 10.055 1.214 -15.117 1.00 0.00 H new ATOM 308 N LYS A 20 10.712 1.817 -11.889 1.00 0.00 N ATOM 309 CA LYS A 20 11.295 0.579 -11.289 1.00 0.00 C ATOM 310 C LYS A 20 10.765 0.371 -9.863 1.00 0.00 C ATOM 311 O LYS A 20 11.304 -0.421 -9.113 1.00 0.00 O ATOM 312 CB LYS A 20 12.819 0.706 -11.241 1.00 0.00 C ATOM 313 CG LYS A 20 13.209 1.997 -10.509 1.00 0.00 C ATOM 314 CD LYS A 20 14.357 1.713 -9.534 1.00 0.00 C ATOM 315 CE LYS A 20 15.628 1.355 -10.313 1.00 0.00 C ATOM 316 NZ LYS A 20 15.911 -0.101 -10.161 1.00 0.00 N ATOM 0 H LYS A 20 11.180 2.685 -11.631 1.00 0.00 H new ATOM 0 HA LYS A 20 11.008 -0.275 -11.903 1.00 0.00 H new ATOM 0 HB2 LYS A 20 13.249 -0.156 -10.732 1.00 0.00 H new ATOM 0 HB3 LYS A 20 13.225 0.714 -12.253 1.00 0.00 H new ATOM 0 HG2 LYS A 20 13.511 2.758 -11.229 1.00 0.00 H new ATOM 0 HG3 LYS A 20 12.350 2.393 -9.968 1.00 0.00 H new ATOM 0 HD2 LYS A 20 14.538 2.587 -8.908 1.00 0.00 H new ATOM 0 HD3 LYS A 20 14.086 0.894 -8.868 1.00 0.00 H new ATOM 0 HE2 LYS A 20 15.504 1.604 -11.367 1.00 0.00 H new ATOM 0 HE3 LYS A 20 16.470 1.940 -9.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 16.921 -0.278 -10.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 15.666 -0.403 -9.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 15.343 -0.638 -10.847 1.00 0.00 H new ATOM 330 N PHE A 21 9.718 1.064 -9.482 1.00 0.00 N ATOM 331 CA PHE A 21 9.168 0.891 -8.104 1.00 0.00 C ATOM 332 C PHE A 21 7.704 0.461 -8.193 1.00 0.00 C ATOM 333 O PHE A 21 7.361 -0.668 -7.895 1.00 0.00 O ATOM 334 CB PHE A 21 9.262 2.214 -7.343 1.00 0.00 C ATOM 335 CG PHE A 21 10.707 2.527 -7.048 1.00 0.00 C ATOM 336 CD1 PHE A 21 11.421 1.745 -6.134 1.00 0.00 C ATOM 337 CD2 PHE A 21 11.333 3.602 -7.687 1.00 0.00 C ATOM 338 CE1 PHE A 21 12.761 2.038 -5.859 1.00 0.00 C ATOM 339 CE2 PHE A 21 12.673 3.897 -7.413 1.00 0.00 C ATOM 340 CZ PHE A 21 13.387 3.114 -6.500 1.00 0.00 C ATOM 0 H PHE A 21 9.223 1.739 -10.065 1.00 0.00 H new ATOM 0 HA PHE A 21 9.743 0.129 -7.578 1.00 0.00 H new ATOM 0 HB2 PHE A 21 8.819 3.016 -7.933 1.00 0.00 H new ATOM 0 HB3 PHE A 21 8.696 2.151 -6.414 1.00 0.00 H new ATOM 0 HD1 PHE A 21 10.938 0.915 -5.640 1.00 0.00 H new ATOM 0 HD2 PHE A 21 10.781 4.205 -8.393 1.00 0.00 H new ATOM 0 HE1 PHE A 21 13.312 1.435 -5.153 1.00 0.00 H new ATOM 0 HE2 PHE A 21 13.155 4.728 -7.906 1.00 0.00 H new ATOM 0 HZ PHE A 21 14.422 3.340 -6.289 1.00 0.00 H new ATOM 350 N ILE A 22 6.844 1.353 -8.607 1.00 0.00 N ATOM 351 CA ILE A 22 5.398 1.010 -8.727 1.00 0.00 C ATOM 352 C ILE A 22 5.060 0.816 -10.208 1.00 0.00 C ATOM 353 O ILE A 22 5.643 1.453 -11.066 1.00 0.00 O ATOM 354 CB ILE A 22 4.557 2.146 -8.123 1.00 0.00 C ATOM 355 CG1 ILE A 22 3.082 1.737 -8.125 1.00 0.00 C ATOM 356 CG2 ILE A 22 4.733 3.436 -8.938 1.00 0.00 C ATOM 357 CD1 ILE A 22 2.320 2.574 -7.097 1.00 0.00 C ATOM 0 H ILE A 22 7.083 2.310 -8.868 1.00 0.00 H new ATOM 0 HA ILE A 22 5.177 0.089 -8.187 1.00 0.00 H new ATOM 0 HB ILE A 22 4.890 2.330 -7.102 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.655 1.882 -9.117 1.00 0.00 H new ATOM 0 HG13 ILE A 22 2.987 0.677 -7.889 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.131 4.230 -8.497 1.00 0.00 H new ATOM 0 HG22 ILE A 22 5.783 3.730 -8.931 1.00 0.00 H new ATOM 0 HG23 ILE A 22 4.411 3.264 -9.965 1.00 0.00 H new ATOM 0 HD11 ILE A 22 1.269 2.283 -7.098 1.00 0.00 H new ATOM 0 HD12 ILE A 22 2.742 2.406 -6.106 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.404 3.630 -7.353 1.00 0.00 H new ATOM 369 N HIS A 23 4.137 -0.057 -10.514 1.00 0.00 N ATOM 370 CA HIS A 23 3.782 -0.286 -11.942 1.00 0.00 C ATOM 371 C HIS A 23 2.513 -1.131 -12.037 1.00 0.00 C ATOM 372 O HIS A 23 2.237 -1.953 -11.182 1.00 0.00 O ATOM 373 CB HIS A 23 4.933 -1.018 -12.628 1.00 0.00 C ATOM 374 CG HIS A 23 4.817 -0.862 -14.118 1.00 0.00 C ATOM 375 ND1 HIS A 23 4.955 -1.934 -14.982 1.00 0.00 N ATOM 376 CD2 HIS A 23 4.580 0.234 -14.912 1.00 0.00 C ATOM 377 CE1 HIS A 23 4.801 -1.468 -16.234 1.00 0.00 C ATOM 378 NE2 HIS A 23 4.570 -0.151 -16.248 1.00 0.00 N ATOM 0 H HIS A 23 3.617 -0.618 -9.840 1.00 0.00 H new ATOM 0 HA HIS A 23 3.606 0.673 -12.430 1.00 0.00 H new ATOM 0 HB2 HIS A 23 5.887 -0.618 -12.284 1.00 0.00 H new ATOM 0 HB3 HIS A 23 4.915 -2.075 -12.361 1.00 0.00 H new ATOM 0 HD2 HIS A 23 4.425 1.241 -14.553 1.00 0.00 H new ATOM 0 HE1 HIS A 23 4.857 -2.083 -17.120 1.00 0.00 H new ATOM 0 HE2 HIS A 23 4.419 0.443 -17.063 1.00 0.00 H new ATOM 386 N TRP A 24 1.744 -0.935 -13.076 1.00 0.00 N ATOM 387 CA TRP A 24 0.493 -1.724 -13.246 1.00 0.00 C ATOM 388 C TRP A 24 0.862 -3.152 -13.662 1.00 0.00 C ATOM 389 O TRP A 24 1.979 -3.416 -14.064 1.00 0.00 O ATOM 390 CB TRP A 24 -0.379 -1.063 -14.315 1.00 0.00 C ATOM 391 CG TRP A 24 -0.873 0.252 -13.795 1.00 0.00 C ATOM 392 CD1 TRP A 24 -0.149 1.396 -13.764 1.00 0.00 C ATOM 393 CD2 TRP A 24 -2.175 0.579 -13.225 1.00 0.00 C ATOM 394 NE1 TRP A 24 -0.925 2.402 -13.212 1.00 0.00 N ATOM 395 CE2 TRP A 24 -2.181 1.948 -12.866 1.00 0.00 C ATOM 396 CE3 TRP A 24 -3.340 -0.172 -12.988 1.00 0.00 C ATOM 397 CZ2 TRP A 24 -3.302 2.550 -12.293 1.00 0.00 C ATOM 398 CZ3 TRP A 24 -4.470 0.431 -12.410 1.00 0.00 C ATOM 399 CH2 TRP A 24 -4.451 1.789 -12.064 1.00 0.00 C ATOM 0 H TRP A 24 1.931 -0.259 -13.816 1.00 0.00 H new ATOM 0 HA TRP A 24 -0.065 -1.757 -12.311 1.00 0.00 H new ATOM 0 HB2 TRP A 24 0.194 -0.915 -15.230 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -1.220 -1.709 -14.567 1.00 0.00 H new ATOM 0 HD1 TRP A 24 0.867 1.506 -14.113 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -0.607 3.362 -13.078 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -3.366 -1.219 -13.252 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -3.281 3.597 -12.028 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -5.359 -0.156 -12.231 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -5.323 2.246 -11.621 1.00 0.00 H new ATOM 410 N SER A 25 -0.057 -4.075 -13.544 1.00 0.00 N ATOM 411 CA SER A 25 0.248 -5.492 -13.908 1.00 0.00 C ATOM 412 C SER A 25 0.159 -5.688 -15.425 1.00 0.00 C ATOM 413 O SER A 25 -0.915 -5.777 -15.988 1.00 0.00 O ATOM 414 CB SER A 25 -0.752 -6.418 -13.212 1.00 0.00 C ATOM 415 OG SER A 25 -0.256 -7.750 -13.237 1.00 0.00 O ATOM 0 H SER A 25 -1.007 -3.909 -13.211 1.00 0.00 H new ATOM 0 HA SER A 25 1.261 -5.730 -13.585 1.00 0.00 H new ATOM 0 HB2 SER A 25 -0.908 -6.095 -12.183 1.00 0.00 H new ATOM 0 HB3 SER A 25 -1.719 -6.369 -13.712 1.00 0.00 H new ATOM 0 HG SER A 25 -0.894 -8.345 -12.790 1.00 0.00 H new ATOM 421 N THR A 26 1.289 -5.770 -16.084 1.00 0.00 N ATOM 422 CA THR A 26 1.301 -5.979 -17.564 1.00 0.00 C ATOM 423 C THR A 26 0.528 -4.846 -18.269 1.00 0.00 C ATOM 424 O THR A 26 1.107 -3.833 -18.623 1.00 0.00 O ATOM 425 CB THR A 26 0.689 -7.354 -17.883 1.00 0.00 C ATOM 426 OG1 THR A 26 1.453 -8.364 -17.239 1.00 0.00 O ATOM 427 CG2 THR A 26 0.698 -7.603 -19.396 1.00 0.00 C ATOM 0 H THR A 26 2.212 -5.700 -15.655 1.00 0.00 H new ATOM 0 HA THR A 26 2.327 -5.957 -17.932 1.00 0.00 H new ATOM 0 HB THR A 26 -0.341 -7.376 -17.526 1.00 0.00 H new ATOM 0 HG1 THR A 26 1.067 -9.243 -17.437 1.00 0.00 H new ATOM 0 HG21 THR A 26 0.262 -8.580 -19.607 1.00 0.00 H new ATOM 0 HG22 THR A 26 0.114 -6.830 -19.895 1.00 0.00 H new ATOM 0 HG23 THR A 26 1.724 -7.577 -19.763 1.00 0.00 H new ATOM 435 N SER A 27 -0.761 -4.999 -18.482 1.00 0.00 N ATOM 436 CA SER A 27 -1.542 -3.927 -19.164 1.00 0.00 C ATOM 437 C SER A 27 -3.016 -4.043 -18.768 1.00 0.00 C ATOM 438 O SER A 27 -3.904 -3.865 -19.582 1.00 0.00 O ATOM 439 CB SER A 27 -1.405 -4.078 -20.681 1.00 0.00 C ATOM 440 OG SER A 27 -1.425 -5.458 -21.020 1.00 0.00 O ATOM 0 H SER A 27 -1.300 -5.821 -18.211 1.00 0.00 H new ATOM 0 HA SER A 27 -1.160 -2.951 -18.864 1.00 0.00 H new ATOM 0 HB2 SER A 27 -2.219 -3.556 -21.185 1.00 0.00 H new ATOM 0 HB3 SER A 27 -0.475 -3.622 -21.021 1.00 0.00 H new ATOM 0 HG SER A 27 -1.339 -5.558 -21.991 1.00 0.00 H new ATOM 446 N GLY A 28 -3.279 -4.339 -17.520 1.00 0.00 N ATOM 447 CA GLY A 28 -4.693 -4.470 -17.057 1.00 0.00 C ATOM 448 C GLY A 28 -5.082 -3.226 -16.255 1.00 0.00 C ATOM 449 O GLY A 28 -4.953 -2.110 -16.724 1.00 0.00 O ATOM 0 H GLY A 28 -2.573 -4.496 -16.801 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -5.358 -4.587 -17.913 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -4.805 -5.363 -16.442 1.00 0.00 H new ATOM 453 N GLU A 29 -5.557 -3.411 -15.048 1.00 0.00 N ATOM 454 CA GLU A 29 -5.957 -2.243 -14.208 1.00 0.00 C ATOM 455 C GLU A 29 -5.733 -2.579 -12.730 1.00 0.00 C ATOM 456 O GLU A 29 -6.613 -2.419 -11.903 1.00 0.00 O ATOM 457 CB GLU A 29 -7.436 -1.924 -14.449 1.00 0.00 C ATOM 458 CG GLU A 29 -7.779 -0.574 -13.814 1.00 0.00 C ATOM 459 CD GLU A 29 -7.472 0.549 -14.806 1.00 0.00 C ATOM 460 OE1 GLU A 29 -6.497 0.424 -15.528 1.00 0.00 O ATOM 461 OE2 GLU A 29 -8.218 1.514 -14.827 1.00 0.00 O ATOM 0 H GLU A 29 -5.685 -4.323 -14.609 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.354 -1.375 -14.476 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -7.643 -1.897 -15.519 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -8.062 -2.708 -14.022 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -8.832 -0.549 -13.534 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -7.203 -0.433 -12.899 1.00 0.00 H new ATOM 468 N SER A 30 -4.558 -3.045 -12.395 1.00 0.00 N ATOM 469 CA SER A 30 -4.262 -3.398 -10.977 1.00 0.00 C ATOM 470 C SER A 30 -2.873 -2.879 -10.606 1.00 0.00 C ATOM 471 O SER A 30 -1.996 -2.784 -11.446 1.00 0.00 O ATOM 472 CB SER A 30 -4.297 -4.918 -10.818 1.00 0.00 C ATOM 473 OG SER A 30 -3.710 -5.521 -11.963 1.00 0.00 O ATOM 0 H SER A 30 -3.788 -3.196 -13.047 1.00 0.00 H new ATOM 0 HA SER A 30 -5.007 -2.945 -10.322 1.00 0.00 H new ATOM 0 HB2 SER A 30 -3.757 -5.214 -9.919 1.00 0.00 H new ATOM 0 HB3 SER A 30 -5.325 -5.260 -10.699 1.00 0.00 H new ATOM 0 HG SER A 30 -3.728 -6.496 -11.865 1.00 0.00 H new ATOM 479 N ILE A 31 -2.664 -2.550 -9.356 1.00 0.00 N ATOM 480 CA ILE A 31 -1.324 -2.043 -8.932 1.00 0.00 C ATOM 481 C ILE A 31 -0.546 -3.183 -8.277 1.00 0.00 C ATOM 482 O ILE A 31 -1.050 -3.871 -7.408 1.00 0.00 O ATOM 483 CB ILE A 31 -1.489 -0.890 -7.939 1.00 0.00 C ATOM 484 CG1 ILE A 31 -2.385 0.187 -8.556 1.00 0.00 C ATOM 485 CG2 ILE A 31 -0.115 -0.289 -7.627 1.00 0.00 C ATOM 486 CD1 ILE A 31 -2.678 1.268 -7.514 1.00 0.00 C ATOM 0 H ILE A 31 -3.361 -2.610 -8.613 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.780 -1.678 -9.803 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.943 -1.261 -7.020 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.896 0.628 -9.425 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.317 -0.257 -8.906 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.229 0.533 -6.920 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.527 -1.055 -7.192 1.00 0.00 H new ATOM 0 HG23 ILE A 31 0.336 0.084 -8.546 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -3.316 2.034 -7.954 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.185 0.821 -6.659 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -1.742 1.720 -7.185 1.00 0.00 H new ATOM 498 N VAL A 32 0.674 -3.396 -8.698 1.00 0.00 N ATOM 499 CA VAL A 32 1.488 -4.502 -8.116 1.00 0.00 C ATOM 500 C VAL A 32 2.824 -3.958 -7.611 1.00 0.00 C ATOM 501 O VAL A 32 3.580 -3.359 -8.352 1.00 0.00 O ATOM 502 CB VAL A 32 1.746 -5.558 -9.193 1.00 0.00 C ATOM 503 CG1 VAL A 32 2.426 -6.774 -8.565 1.00 0.00 C ATOM 504 CG2 VAL A 32 0.415 -5.986 -9.821 1.00 0.00 C ATOM 0 H VAL A 32 1.142 -2.850 -9.421 1.00 0.00 H new ATOM 0 HA VAL A 32 0.945 -4.947 -7.282 1.00 0.00 H new ATOM 0 HB VAL A 32 2.393 -5.138 -9.963 1.00 0.00 H new ATOM 0 HG11 VAL A 32 2.609 -7.525 -9.333 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.374 -6.471 -8.120 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.781 -7.194 -7.793 1.00 0.00 H new ATOM 0 HG21 VAL A 32 0.600 -6.738 -10.588 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.233 -6.405 -9.051 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -0.070 -5.120 -10.271 1.00 0.00 H new ATOM 514 N VAL A 33 3.121 -4.175 -6.355 1.00 0.00 N ATOM 515 CA VAL A 33 4.416 -3.689 -5.788 1.00 0.00 C ATOM 516 C VAL A 33 5.365 -4.885 -5.626 1.00 0.00 C ATOM 517 O VAL A 33 5.267 -5.608 -4.655 1.00 0.00 O ATOM 518 CB VAL A 33 4.173 -3.049 -4.420 1.00 0.00 C ATOM 519 CG1 VAL A 33 5.483 -2.464 -3.886 1.00 0.00 C ATOM 520 CG2 VAL A 33 3.135 -1.933 -4.553 1.00 0.00 C ATOM 0 H VAL A 33 2.520 -4.670 -5.695 1.00 0.00 H new ATOM 0 HA VAL A 33 4.855 -2.949 -6.457 1.00 0.00 H new ATOM 0 HB VAL A 33 3.805 -3.807 -3.728 1.00 0.00 H new ATOM 0 HG11 VAL A 33 5.308 -2.009 -2.911 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.223 -3.258 -3.787 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.853 -1.708 -4.579 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.963 -1.478 -3.578 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.501 -1.176 -5.247 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.200 -2.348 -4.930 1.00 0.00 H new ATOM 530 N PRO A 34 6.248 -5.062 -6.585 1.00 0.00 N ATOM 531 CA PRO A 34 7.179 -6.213 -6.480 1.00 0.00 C ATOM 532 C PRO A 34 8.256 -5.955 -5.420 1.00 0.00 C ATOM 533 O PRO A 34 8.858 -6.879 -4.904 1.00 0.00 O ATOM 534 CB PRO A 34 7.811 -6.327 -7.868 1.00 0.00 C ATOM 535 CG PRO A 34 7.679 -4.939 -8.517 1.00 0.00 C ATOM 536 CD PRO A 34 6.556 -4.209 -7.763 1.00 0.00 C ATOM 0 HA PRO A 34 6.666 -7.126 -6.179 1.00 0.00 H new ATOM 0 HB2 PRO A 34 8.857 -6.625 -7.796 1.00 0.00 H new ATOM 0 HB3 PRO A 34 7.304 -7.085 -8.465 1.00 0.00 H new ATOM 0 HG2 PRO A 34 8.616 -4.387 -8.446 1.00 0.00 H new ATOM 0 HG3 PRO A 34 7.441 -5.028 -9.577 1.00 0.00 H new ATOM 0 HD2 PRO A 34 6.874 -3.213 -7.454 1.00 0.00 H new ATOM 0 HD3 PRO A 34 5.677 -4.081 -8.395 1.00 0.00 H new ATOM 544 N ASN A 35 8.511 -4.710 -5.095 1.00 0.00 N ATOM 545 CA ASN A 35 9.558 -4.399 -4.074 1.00 0.00 C ATOM 546 C ASN A 35 9.149 -3.163 -3.269 1.00 0.00 C ATOM 547 O ASN A 35 9.641 -2.071 -3.493 1.00 0.00 O ATOM 548 CB ASN A 35 10.895 -4.133 -4.778 1.00 0.00 C ATOM 549 CG ASN A 35 10.698 -3.115 -5.908 1.00 0.00 C ATOM 550 OD1 ASN A 35 9.701 -2.421 -5.954 1.00 0.00 O ATOM 551 ND2 ASN A 35 11.616 -2.997 -6.829 1.00 0.00 N ATOM 0 H ASN A 35 8.039 -3.898 -5.493 1.00 0.00 H new ATOM 0 HA ASN A 35 9.663 -5.247 -3.398 1.00 0.00 H new ATOM 0 HB2 ASN A 35 11.625 -3.756 -4.061 1.00 0.00 H new ATOM 0 HB3 ASN A 35 11.295 -5.063 -5.181 1.00 0.00 H new ATOM 0 HD21 ASN A 35 11.496 -2.323 -7.585 1.00 0.00 H new ATOM 0 HD22 ASN A 35 12.453 -3.578 -6.792 1.00 0.00 H new ATOM 558 N ARG A 36 8.256 -3.329 -2.327 1.00 0.00 N ATOM 559 CA ARG A 36 7.811 -2.169 -1.500 1.00 0.00 C ATOM 560 C ARG A 36 8.906 -1.789 -0.498 1.00 0.00 C ATOM 561 O ARG A 36 8.933 -0.682 0.003 1.00 0.00 O ATOM 562 CB ARG A 36 6.534 -2.536 -0.741 1.00 0.00 C ATOM 563 CG ARG A 36 5.879 -1.260 -0.205 1.00 0.00 C ATOM 564 CD ARG A 36 4.503 -1.584 0.388 1.00 0.00 C ATOM 565 NE ARG A 36 3.484 -0.666 -0.199 1.00 0.00 N ATOM 566 CZ ARG A 36 2.315 -1.127 -0.550 1.00 0.00 C ATOM 567 NH1 ARG A 36 2.224 -2.257 -1.195 1.00 0.00 N ATOM 568 NH2 ARG A 36 1.234 -0.451 -0.264 1.00 0.00 N ATOM 0 H ARG A 36 7.816 -4.219 -2.095 1.00 0.00 H new ATOM 0 HA ARG A 36 7.614 -1.322 -2.157 1.00 0.00 H new ATOM 0 HB2 ARG A 36 5.844 -3.063 -1.400 1.00 0.00 H new ATOM 0 HB3 ARG A 36 6.768 -3.212 0.082 1.00 0.00 H new ATOM 0 HG2 ARG A 36 6.515 -0.808 0.556 1.00 0.00 H new ATOM 0 HG3 ARG A 36 5.775 -0.530 -1.008 1.00 0.00 H new ATOM 0 HD2 ARG A 36 4.239 -2.621 0.178 1.00 0.00 H new ATOM 0 HD3 ARG A 36 4.527 -1.474 1.472 1.00 0.00 H new ATOM 0 HE ARG A 36 3.701 0.322 -0.326 1.00 0.00 H new ATOM 0 HH11 ARG A 36 3.068 -2.782 -1.426 1.00 0.00 H new ATOM 0 HH12 ARG A 36 1.309 -2.616 -1.469 1.00 0.00 H new ATOM 0 HH21 ARG A 36 1.304 0.437 0.233 1.00 0.00 H new ATOM 0 HH22 ARG A 36 0.320 -0.811 -0.538 1.00 0.00 H new ATOM 582 N GLU A 37 9.803 -2.697 -0.195 1.00 0.00 N ATOM 583 CA GLU A 37 10.888 -2.381 0.781 1.00 0.00 C ATOM 584 C GLU A 37 11.754 -1.229 0.253 1.00 0.00 C ATOM 585 O GLU A 37 12.382 -0.521 1.017 1.00 0.00 O ATOM 586 CB GLU A 37 11.758 -3.623 0.997 1.00 0.00 C ATOM 587 CG GLU A 37 12.322 -4.101 -0.344 1.00 0.00 C ATOM 588 CD GLU A 37 13.596 -4.910 -0.103 1.00 0.00 C ATOM 589 OE1 GLU A 37 14.591 -4.310 0.272 1.00 0.00 O ATOM 590 OE2 GLU A 37 13.556 -6.114 -0.295 1.00 0.00 O ATOM 0 H GLU A 37 9.829 -3.641 -0.582 1.00 0.00 H new ATOM 0 HA GLU A 37 10.440 -2.080 1.728 1.00 0.00 H new ATOM 0 HB2 GLU A 37 12.573 -3.393 1.683 1.00 0.00 H new ATOM 0 HB3 GLU A 37 11.168 -4.416 1.457 1.00 0.00 H new ATOM 0 HG2 GLU A 37 11.584 -4.712 -0.864 1.00 0.00 H new ATOM 0 HG3 GLU A 37 12.537 -3.246 -0.985 1.00 0.00 H new ATOM 597 N ARG A 38 11.799 -1.040 -1.046 1.00 0.00 N ATOM 598 CA ARG A 38 12.630 0.062 -1.615 1.00 0.00 C ATOM 599 C ARG A 38 11.726 1.223 -2.037 1.00 0.00 C ATOM 600 O ARG A 38 12.087 2.377 -1.909 1.00 0.00 O ATOM 601 CB ARG A 38 13.407 -0.450 -2.833 1.00 0.00 C ATOM 602 CG ARG A 38 14.602 -1.302 -2.371 1.00 0.00 C ATOM 603 CD ARG A 38 15.918 -0.688 -2.868 1.00 0.00 C ATOM 604 NE ARG A 38 16.636 -0.060 -1.724 1.00 0.00 N ATOM 605 CZ ARG A 38 17.858 0.374 -1.880 1.00 0.00 C ATOM 606 NH1 ARG A 38 18.862 -0.456 -1.798 1.00 0.00 N ATOM 607 NH2 ARG A 38 18.073 1.639 -2.119 1.00 0.00 N ATOM 0 H ARG A 38 11.296 -1.602 -1.733 1.00 0.00 H new ATOM 0 HA ARG A 38 13.334 0.407 -0.857 1.00 0.00 H new ATOM 0 HB2 ARG A 38 12.751 -1.043 -3.471 1.00 0.00 H new ATOM 0 HB3 ARG A 38 13.758 0.391 -3.431 1.00 0.00 H new ATOM 0 HG2 ARG A 38 14.611 -1.368 -1.283 1.00 0.00 H new ATOM 0 HG3 ARG A 38 14.501 -2.319 -2.751 1.00 0.00 H new ATOM 0 HD2 ARG A 38 16.541 -1.457 -3.324 1.00 0.00 H new ATOM 0 HD3 ARG A 38 15.716 0.057 -3.638 1.00 0.00 H new ATOM 0 HE ARG A 38 16.174 0.031 -0.819 1.00 0.00 H new ATOM 0 HH11 ARG A 38 18.693 -1.444 -1.612 1.00 0.00 H new ATOM 0 HH12 ARG A 38 19.816 -0.116 -1.920 1.00 0.00 H new ATOM 0 HH21 ARG A 38 17.288 2.286 -2.184 1.00 0.00 H new ATOM 0 HH22 ARG A 38 19.026 1.980 -2.241 1.00 0.00 H new ATOM 621 N PHE A 39 10.549 0.924 -2.537 1.00 0.00 N ATOM 622 CA PHE A 39 9.603 2.004 -2.969 1.00 0.00 C ATOM 623 C PHE A 39 9.366 2.973 -1.796 1.00 0.00 C ATOM 624 O PHE A 39 9.411 4.174 -1.957 1.00 0.00 O ATOM 625 CB PHE A 39 8.277 1.340 -3.428 1.00 0.00 C ATOM 626 CG PHE A 39 7.097 2.304 -3.368 1.00 0.00 C ATOM 627 CD1 PHE A 39 6.443 2.522 -2.150 1.00 0.00 C ATOM 628 CD2 PHE A 39 6.660 2.967 -4.524 1.00 0.00 C ATOM 629 CE1 PHE A 39 5.355 3.401 -2.084 1.00 0.00 C ATOM 630 CE2 PHE A 39 5.572 3.846 -4.457 1.00 0.00 C ATOM 631 CZ PHE A 39 4.920 4.062 -3.237 1.00 0.00 C ATOM 0 H PHE A 39 10.202 -0.026 -2.665 1.00 0.00 H new ATOM 0 HA PHE A 39 10.018 2.575 -3.799 1.00 0.00 H new ATOM 0 HB2 PHE A 39 8.391 0.972 -4.448 1.00 0.00 H new ATOM 0 HB3 PHE A 39 8.069 0.475 -2.798 1.00 0.00 H new ATOM 0 HD1 PHE A 39 6.778 2.011 -1.259 1.00 0.00 H new ATOM 0 HD2 PHE A 39 7.162 2.800 -5.465 1.00 0.00 H new ATOM 0 HE1 PHE A 39 4.852 3.568 -1.143 1.00 0.00 H new ATOM 0 HE2 PHE A 39 5.236 4.358 -5.347 1.00 0.00 H new ATOM 0 HZ PHE A 39 4.081 4.740 -3.186 1.00 0.00 H new ATOM 641 N VAL A 40 9.101 2.450 -0.630 1.00 0.00 N ATOM 642 CA VAL A 40 8.843 3.329 0.549 1.00 0.00 C ATOM 643 C VAL A 40 10.058 4.224 0.814 1.00 0.00 C ATOM 644 O VAL A 40 9.943 5.431 0.877 1.00 0.00 O ATOM 645 CB VAL A 40 8.571 2.458 1.785 1.00 0.00 C ATOM 646 CG1 VAL A 40 8.264 3.348 3.003 1.00 0.00 C ATOM 647 CG2 VAL A 40 7.374 1.540 1.506 1.00 0.00 C ATOM 0 H VAL A 40 9.052 1.449 -0.441 1.00 0.00 H new ATOM 0 HA VAL A 40 7.976 3.957 0.343 1.00 0.00 H new ATOM 0 HB VAL A 40 9.454 1.856 2.000 1.00 0.00 H new ATOM 0 HG11 VAL A 40 8.073 2.720 3.873 1.00 0.00 H new ATOM 0 HG12 VAL A 40 9.117 3.997 3.204 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.385 3.958 2.795 1.00 0.00 H new ATOM 0 HG21 VAL A 40 7.179 0.921 2.381 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.495 2.145 1.286 1.00 0.00 H new ATOM 0 HG23 VAL A 40 7.597 0.901 0.652 1.00 0.00 H new ATOM 657 N GLN A 41 11.211 3.635 0.991 1.00 0.00 N ATOM 658 CA GLN A 41 12.440 4.435 1.286 1.00 0.00 C ATOM 659 C GLN A 41 12.849 5.316 0.097 1.00 0.00 C ATOM 660 O GLN A 41 13.734 6.143 0.229 1.00 0.00 O ATOM 661 CB GLN A 41 13.589 3.482 1.620 1.00 0.00 C ATOM 662 CG GLN A 41 14.490 4.120 2.682 1.00 0.00 C ATOM 663 CD GLN A 41 13.916 3.845 4.073 1.00 0.00 C ATOM 664 OE1 GLN A 41 13.621 2.717 4.409 1.00 0.00 O ATOM 665 NE2 GLN A 41 13.747 4.839 4.902 1.00 0.00 N ATOM 0 H GLN A 41 11.357 2.627 0.944 1.00 0.00 H new ATOM 0 HA GLN A 41 12.221 5.089 2.130 1.00 0.00 H new ATOM 0 HB2 GLN A 41 13.195 2.534 1.985 1.00 0.00 H new ATOM 0 HB3 GLN A 41 14.166 3.263 0.722 1.00 0.00 H new ATOM 0 HG2 GLN A 41 15.500 3.716 2.608 1.00 0.00 H new ATOM 0 HG3 GLN A 41 14.563 5.194 2.514 1.00 0.00 H new ATOM 0 HE21 GLN A 41 13.995 5.787 4.619 1.00 0.00 H new ATOM 0 HE22 GLN A 41 13.367 4.668 5.833 1.00 0.00 H new ATOM 674 N GLU A 42 12.243 5.154 -1.057 1.00 0.00 N ATOM 675 CA GLU A 42 12.650 5.999 -2.225 1.00 0.00 C ATOM 676 C GLU A 42 11.427 6.544 -2.974 1.00 0.00 C ATOM 677 O GLU A 42 11.539 6.951 -4.115 1.00 0.00 O ATOM 678 CB GLU A 42 13.497 5.159 -3.188 1.00 0.00 C ATOM 679 CG GLU A 42 14.793 4.715 -2.493 1.00 0.00 C ATOM 680 CD GLU A 42 15.990 4.975 -3.412 1.00 0.00 C ATOM 681 OE1 GLU A 42 16.146 4.239 -4.372 1.00 0.00 O ATOM 682 OE2 GLU A 42 16.729 5.908 -3.140 1.00 0.00 O ATOM 0 H GLU A 42 11.496 4.484 -1.239 1.00 0.00 H new ATOM 0 HA GLU A 42 13.227 6.844 -1.849 1.00 0.00 H new ATOM 0 HB2 GLU A 42 12.932 4.286 -3.516 1.00 0.00 H new ATOM 0 HB3 GLU A 42 13.733 5.740 -4.080 1.00 0.00 H new ATOM 0 HG2 GLU A 42 14.918 5.257 -1.556 1.00 0.00 H new ATOM 0 HG3 GLU A 42 14.738 3.655 -2.243 1.00 0.00 H new ATOM 689 N VAL A 43 10.267 6.563 -2.357 1.00 0.00 N ATOM 690 CA VAL A 43 9.054 7.093 -3.067 1.00 0.00 C ATOM 691 C VAL A 43 8.014 7.626 -2.069 1.00 0.00 C ATOM 692 O VAL A 43 7.337 8.600 -2.345 1.00 0.00 O ATOM 693 CB VAL A 43 8.399 5.987 -3.910 1.00 0.00 C ATOM 694 CG1 VAL A 43 7.295 6.597 -4.775 1.00 0.00 C ATOM 695 CG2 VAL A 43 9.438 5.328 -4.823 1.00 0.00 C ATOM 0 H VAL A 43 10.107 6.239 -1.403 1.00 0.00 H new ATOM 0 HA VAL A 43 9.386 7.907 -3.711 1.00 0.00 H new ATOM 0 HB VAL A 43 7.981 5.235 -3.240 1.00 0.00 H new ATOM 0 HG11 VAL A 43 6.828 5.815 -5.374 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.544 7.060 -4.134 1.00 0.00 H new ATOM 0 HG13 VAL A 43 7.724 7.352 -5.434 1.00 0.00 H new ATOM 0 HG21 VAL A 43 8.960 4.547 -5.414 1.00 0.00 H new ATOM 0 HG22 VAL A 43 9.864 6.078 -5.490 1.00 0.00 H new ATOM 0 HG23 VAL A 43 10.230 4.890 -4.216 1.00 0.00 H new ATOM 705 N LEU A 44 7.853 6.988 -0.935 1.00 0.00 N ATOM 706 CA LEU A 44 6.824 7.455 0.046 1.00 0.00 C ATOM 707 C LEU A 44 7.106 8.900 0.499 1.00 0.00 C ATOM 708 O LEU A 44 6.213 9.726 0.460 1.00 0.00 O ATOM 709 CB LEU A 44 6.808 6.518 1.257 1.00 0.00 C ATOM 710 CG LEU A 44 5.551 6.775 2.092 1.00 0.00 C ATOM 711 CD1 LEU A 44 4.305 6.437 1.269 1.00 0.00 C ATOM 712 CD2 LEU A 44 5.589 5.893 3.341 1.00 0.00 C ATOM 0 H LEU A 44 8.387 6.168 -0.647 1.00 0.00 H new ATOM 0 HA LEU A 44 5.849 7.439 -0.441 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.830 5.480 0.926 1.00 0.00 H new ATOM 0 HB3 LEU A 44 7.699 6.678 1.864 1.00 0.00 H new ATOM 0 HG LEU A 44 5.516 7.825 2.382 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.413 6.621 1.867 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.278 7.061 0.376 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.336 5.387 0.977 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.696 6.072 3.940 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.624 4.845 3.045 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.475 6.133 3.929 1.00 0.00 H new ATOM 724 N PRO A 45 8.327 9.168 0.921 1.00 0.00 N ATOM 725 CA PRO A 45 8.625 10.554 1.372 1.00 0.00 C ATOM 726 C PRO A 45 8.671 11.529 0.185 1.00 0.00 C ATOM 727 O PRO A 45 8.758 12.727 0.372 1.00 0.00 O ATOM 728 CB PRO A 45 9.996 10.464 2.038 1.00 0.00 C ATOM 729 CG PRO A 45 10.675 9.215 1.454 1.00 0.00 C ATOM 730 CD PRO A 45 9.552 8.326 0.897 1.00 0.00 C ATOM 0 HA PRO A 45 7.857 10.930 2.047 1.00 0.00 H new ATOM 0 HB2 PRO A 45 10.586 11.358 1.837 1.00 0.00 H new ATOM 0 HB3 PRO A 45 9.898 10.384 3.121 1.00 0.00 H new ATOM 0 HG2 PRO A 45 11.379 9.488 0.668 1.00 0.00 H new ATOM 0 HG3 PRO A 45 11.242 8.688 2.221 1.00 0.00 H new ATOM 0 HD2 PRO A 45 9.780 7.995 -0.116 1.00 0.00 H new ATOM 0 HD3 PRO A 45 9.424 7.430 1.504 1.00 0.00 H new ATOM 738 N LYS A 46 8.611 11.032 -1.031 1.00 0.00 N ATOM 739 CA LYS A 46 8.651 11.939 -2.218 1.00 0.00 C ATOM 740 C LYS A 46 7.252 12.503 -2.517 1.00 0.00 C ATOM 741 O LYS A 46 7.039 13.090 -3.562 1.00 0.00 O ATOM 742 CB LYS A 46 9.146 11.151 -3.440 1.00 0.00 C ATOM 743 CG LYS A 46 10.165 11.991 -4.230 1.00 0.00 C ATOM 744 CD LYS A 46 11.548 11.340 -4.158 1.00 0.00 C ATOM 745 CE LYS A 46 12.589 12.282 -4.769 1.00 0.00 C ATOM 746 NZ LYS A 46 13.576 11.491 -5.556 1.00 0.00 N ATOM 0 H LYS A 46 8.536 10.038 -1.249 1.00 0.00 H new ATOM 0 HA LYS A 46 9.326 12.767 -2.003 1.00 0.00 H new ATOM 0 HB2 LYS A 46 9.604 10.216 -3.119 1.00 0.00 H new ATOM 0 HB3 LYS A 46 8.303 10.890 -4.080 1.00 0.00 H new ATOM 0 HG2 LYS A 46 9.849 12.078 -5.269 1.00 0.00 H new ATOM 0 HG3 LYS A 46 10.208 13.002 -3.824 1.00 0.00 H new ATOM 0 HD2 LYS A 46 11.805 11.120 -3.122 1.00 0.00 H new ATOM 0 HD3 LYS A 46 11.543 10.390 -4.693 1.00 0.00 H new ATOM 0 HE2 LYS A 46 12.100 13.014 -5.411 1.00 0.00 H new ATOM 0 HE3 LYS A 46 13.098 12.838 -3.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 14.283 12.132 -5.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 14.051 10.809 -4.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 13.084 10.980 -6.316 1.00 0.00 H new ATOM 760 N TYR A 47 6.296 12.331 -1.630 1.00 0.00 N ATOM 761 CA TYR A 47 4.929 12.860 -1.902 1.00 0.00 C ATOM 762 C TYR A 47 4.212 13.191 -0.586 1.00 0.00 C ATOM 763 O TYR A 47 3.590 14.229 -0.461 1.00 0.00 O ATOM 764 CB TYR A 47 4.127 11.809 -2.669 1.00 0.00 C ATOM 765 CG TYR A 47 4.662 11.684 -4.078 1.00 0.00 C ATOM 766 CD1 TYR A 47 4.138 12.490 -5.096 1.00 0.00 C ATOM 767 CD2 TYR A 47 5.673 10.757 -4.369 1.00 0.00 C ATOM 768 CE1 TYR A 47 4.622 12.371 -6.403 1.00 0.00 C ATOM 769 CE2 TYR A 47 6.158 10.641 -5.678 1.00 0.00 C ATOM 770 CZ TYR A 47 5.632 11.446 -6.695 1.00 0.00 C ATOM 771 OH TYR A 47 6.109 11.330 -7.985 1.00 0.00 O ATOM 0 H TYR A 47 6.408 11.850 -0.737 1.00 0.00 H new ATOM 0 HA TYR A 47 5.012 13.771 -2.495 1.00 0.00 H new ATOM 0 HB2 TYR A 47 4.190 10.847 -2.160 1.00 0.00 H new ATOM 0 HB3 TYR A 47 3.074 12.089 -2.694 1.00 0.00 H new ATOM 0 HD1 TYR A 47 3.359 13.204 -4.872 1.00 0.00 H new ATOM 0 HD2 TYR A 47 6.077 10.133 -3.585 1.00 0.00 H new ATOM 0 HE1 TYR A 47 4.217 12.993 -7.187 1.00 0.00 H new ATOM 0 HE2 TYR A 47 6.939 9.930 -5.903 1.00 0.00 H new ATOM 0 HH TYR A 47 6.808 10.644 -8.015 1.00 0.00 H new ATOM 781 N PHE A 48 4.281 12.315 0.388 1.00 0.00 N ATOM 782 CA PHE A 48 3.586 12.581 1.686 1.00 0.00 C ATOM 783 C PHE A 48 4.593 13.015 2.754 1.00 0.00 C ATOM 784 O PHE A 48 4.290 13.836 3.599 1.00 0.00 O ATOM 785 CB PHE A 48 2.883 11.307 2.165 1.00 0.00 C ATOM 786 CG PHE A 48 1.596 11.087 1.399 1.00 0.00 C ATOM 787 CD1 PHE A 48 0.676 12.134 1.236 1.00 0.00 C ATOM 788 CD2 PHE A 48 1.319 9.824 0.859 1.00 0.00 C ATOM 789 CE1 PHE A 48 -0.517 11.915 0.534 1.00 0.00 C ATOM 790 CE2 PHE A 48 0.127 9.607 0.158 1.00 0.00 C ATOM 791 CZ PHE A 48 -0.790 10.652 -0.005 1.00 0.00 C ATOM 0 H PHE A 48 4.787 11.431 0.340 1.00 0.00 H new ATOM 0 HA PHE A 48 2.858 13.377 1.529 1.00 0.00 H new ATOM 0 HB2 PHE A 48 3.543 10.450 2.032 1.00 0.00 H new ATOM 0 HB3 PHE A 48 2.669 11.382 3.231 1.00 0.00 H new ATOM 0 HD1 PHE A 48 0.887 13.108 1.651 1.00 0.00 H new ATOM 0 HD2 PHE A 48 2.026 9.017 0.984 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -1.226 12.720 0.409 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -0.085 8.633 -0.257 1.00 0.00 H new ATOM 0 HZ PHE A 48 -1.709 10.484 -0.547 1.00 0.00 H new ATOM 801 N LYS A 49 5.779 12.458 2.739 1.00 0.00 N ATOM 802 CA LYS A 49 6.804 12.817 3.770 1.00 0.00 C ATOM 803 C LYS A 49 6.294 12.380 5.147 1.00 0.00 C ATOM 804 O LYS A 49 5.343 12.934 5.666 1.00 0.00 O ATOM 805 CB LYS A 49 7.055 14.334 3.782 1.00 0.00 C ATOM 806 CG LYS A 49 7.334 14.838 2.361 1.00 0.00 C ATOM 807 CD LYS A 49 6.961 16.326 2.256 1.00 0.00 C ATOM 808 CE LYS A 49 8.202 17.154 1.906 1.00 0.00 C ATOM 809 NZ LYS A 49 8.932 17.513 3.155 1.00 0.00 N ATOM 0 H LYS A 49 6.083 11.767 2.054 1.00 0.00 H new ATOM 0 HA LYS A 49 7.740 12.311 3.531 1.00 0.00 H new ATOM 0 HB2 LYS A 49 6.188 14.850 4.194 1.00 0.00 H new ATOM 0 HB3 LYS A 49 7.901 14.565 4.430 1.00 0.00 H new ATOM 0 HG2 LYS A 49 8.387 14.699 2.116 1.00 0.00 H new ATOM 0 HG3 LYS A 49 6.759 14.257 1.639 1.00 0.00 H new ATOM 0 HD2 LYS A 49 6.195 16.464 1.493 1.00 0.00 H new ATOM 0 HD3 LYS A 49 6.538 16.671 3.199 1.00 0.00 H new ATOM 0 HE2 LYS A 49 8.854 16.587 1.242 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.910 18.058 1.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 9.774 18.075 2.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 8.308 18.070 3.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 9.224 16.645 3.648 1.00 0.00 H new ATOM 823 N HIS A 50 6.917 11.391 5.736 1.00 0.00 N ATOM 824 CA HIS A 50 6.476 10.905 7.081 1.00 0.00 C ATOM 825 C HIS A 50 5.011 10.445 7.019 1.00 0.00 C ATOM 826 O HIS A 50 4.145 11.004 7.669 1.00 0.00 O ATOM 827 CB HIS A 50 6.624 12.033 8.109 1.00 0.00 C ATOM 828 CG HIS A 50 8.060 12.136 8.541 1.00 0.00 C ATOM 829 ND1 HIS A 50 9.030 12.730 7.749 1.00 0.00 N ATOM 830 CD2 HIS A 50 8.708 11.729 9.682 1.00 0.00 C ATOM 831 CE1 HIS A 50 10.196 12.665 8.416 1.00 0.00 C ATOM 832 NE2 HIS A 50 10.056 12.064 9.601 1.00 0.00 N ATOM 0 H HIS A 50 7.717 10.896 5.342 1.00 0.00 H new ATOM 0 HA HIS A 50 7.099 10.062 7.379 1.00 0.00 H new ATOM 0 HB2 HIS A 50 6.295 12.978 7.677 1.00 0.00 H new ATOM 0 HB3 HIS A 50 5.987 11.838 8.972 1.00 0.00 H new ATOM 0 HD2 HIS A 50 8.242 11.225 10.516 1.00 0.00 H new ATOM 0 HE1 HIS A 50 11.132 13.052 8.040 1.00 0.00 H new ATOM 0 HE2 HIS A 50 10.781 11.889 10.297 1.00 0.00 H new ATOM 840 N SER A 51 4.730 9.431 6.238 1.00 0.00 N ATOM 841 CA SER A 51 3.324 8.931 6.126 1.00 0.00 C ATOM 842 C SER A 51 3.241 7.443 6.508 1.00 0.00 C ATOM 843 O SER A 51 2.166 6.927 6.732 1.00 0.00 O ATOM 844 CB SER A 51 2.828 9.113 4.690 1.00 0.00 C ATOM 845 OG SER A 51 3.939 9.117 3.803 1.00 0.00 O ATOM 0 H SER A 51 5.414 8.928 5.673 1.00 0.00 H new ATOM 0 HA SER A 51 2.699 9.503 6.811 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.141 8.309 4.426 1.00 0.00 H new ATOM 0 HB3 SER A 51 2.274 10.047 4.601 1.00 0.00 H new ATOM 0 HG SER A 51 3.712 8.616 2.992 1.00 0.00 H new ATOM 851 N ASN A 52 4.356 6.751 6.578 1.00 0.00 N ATOM 852 CA ASN A 52 4.338 5.297 6.941 1.00 0.00 C ATOM 853 C ASN A 52 3.592 4.494 5.868 1.00 0.00 C ATOM 854 O ASN A 52 2.451 4.773 5.527 1.00 0.00 O ATOM 855 CB ASN A 52 3.668 5.095 8.308 1.00 0.00 C ATOM 856 CG ASN A 52 4.711 5.264 9.414 1.00 0.00 C ATOM 857 OD1 ASN A 52 4.547 6.085 10.296 1.00 0.00 O ATOM 858 ND2 ASN A 52 5.783 4.521 9.406 1.00 0.00 N ATOM 0 H ASN A 52 5.284 7.135 6.398 1.00 0.00 H new ATOM 0 HA ASN A 52 5.367 4.941 6.999 1.00 0.00 H new ATOM 0 HB2 ASN A 52 2.861 5.816 8.440 1.00 0.00 H new ATOM 0 HB3 ASN A 52 3.221 4.103 8.363 1.00 0.00 H new ATOM 0 HD21 ASN A 52 6.484 4.629 10.139 1.00 0.00 H new ATOM 0 HD22 ASN A 52 5.921 3.832 8.666 1.00 0.00 H new ATOM 865 N PHE A 53 4.241 3.488 5.332 1.00 0.00 N ATOM 866 CA PHE A 53 3.609 2.643 4.275 1.00 0.00 C ATOM 867 C PHE A 53 2.259 2.108 4.762 1.00 0.00 C ATOM 868 O PHE A 53 1.340 1.932 3.991 1.00 0.00 O ATOM 869 CB PHE A 53 4.531 1.465 3.941 1.00 0.00 C ATOM 870 CG PHE A 53 4.800 0.647 5.184 1.00 0.00 C ATOM 871 CD1 PHE A 53 3.931 -0.394 5.531 1.00 0.00 C ATOM 872 CD2 PHE A 53 5.915 0.924 5.985 1.00 0.00 C ATOM 873 CE1 PHE A 53 4.174 -1.157 6.679 1.00 0.00 C ATOM 874 CE2 PHE A 53 6.159 0.160 7.132 1.00 0.00 C ATOM 875 CZ PHE A 53 5.288 -0.882 7.480 1.00 0.00 C ATOM 0 H PHE A 53 5.191 3.215 5.586 1.00 0.00 H new ATOM 0 HA PHE A 53 3.451 3.252 3.385 1.00 0.00 H new ATOM 0 HB2 PHE A 53 4.071 0.839 3.177 1.00 0.00 H new ATOM 0 HB3 PHE A 53 5.470 1.834 3.529 1.00 0.00 H new ATOM 0 HD1 PHE A 53 3.072 -0.609 4.912 1.00 0.00 H new ATOM 0 HD2 PHE A 53 6.586 1.727 5.718 1.00 0.00 H new ATOM 0 HE1 PHE A 53 3.501 -1.958 6.947 1.00 0.00 H new ATOM 0 HE2 PHE A 53 7.019 0.373 7.750 1.00 0.00 H new ATOM 0 HZ PHE A 53 5.477 -1.472 8.365 1.00 0.00 H new ATOM 885 N ALA A 54 2.146 1.846 6.037 1.00 0.00 N ATOM 886 CA ALA A 54 0.864 1.319 6.596 1.00 0.00 C ATOM 887 C ALA A 54 -0.273 2.306 6.309 1.00 0.00 C ATOM 888 O ALA A 54 -1.343 1.921 5.873 1.00 0.00 O ATOM 889 CB ALA A 54 1.002 1.129 8.109 1.00 0.00 C ATOM 0 H ALA A 54 2.892 1.975 6.721 1.00 0.00 H new ATOM 0 HA ALA A 54 0.638 0.361 6.127 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.066 0.745 8.514 1.00 0.00 H new ATOM 0 HB2 ALA A 54 1.805 0.421 8.315 1.00 0.00 H new ATOM 0 HB3 ALA A 54 1.234 2.086 8.576 1.00 0.00 H new ATOM 895 N SER A 55 -0.050 3.577 6.547 1.00 0.00 N ATOM 896 CA SER A 55 -1.115 4.595 6.286 1.00 0.00 C ATOM 897 C SER A 55 -1.486 4.568 4.800 1.00 0.00 C ATOM 898 O SER A 55 -2.645 4.644 4.438 1.00 0.00 O ATOM 899 CB SER A 55 -0.602 5.991 6.673 1.00 0.00 C ATOM 900 OG SER A 55 0.036 6.609 5.557 1.00 0.00 O ATOM 0 H SER A 55 0.825 3.953 6.911 1.00 0.00 H new ATOM 0 HA SER A 55 -1.997 4.364 6.883 1.00 0.00 H new ATOM 0 HB2 SER A 55 -1.432 6.609 7.015 1.00 0.00 H new ATOM 0 HB3 SER A 55 0.099 5.911 7.504 1.00 0.00 H new ATOM 0 HG SER A 55 0.710 7.245 5.876 1.00 0.00 H new ATOM 906 N PHE A 56 -0.503 4.460 3.944 1.00 0.00 N ATOM 907 CA PHE A 56 -0.779 4.427 2.473 1.00 0.00 C ATOM 908 C PHE A 56 -1.725 3.259 2.146 1.00 0.00 C ATOM 909 O PHE A 56 -2.655 3.394 1.368 1.00 0.00 O ATOM 910 CB PHE A 56 0.552 4.250 1.728 1.00 0.00 C ATOM 911 CG PHE A 56 0.323 4.193 0.232 1.00 0.00 C ATOM 912 CD1 PHE A 56 -0.488 5.146 -0.397 1.00 0.00 C ATOM 913 CD2 PHE A 56 0.931 3.183 -0.523 1.00 0.00 C ATOM 914 CE1 PHE A 56 -0.690 5.089 -1.781 1.00 0.00 C ATOM 915 CE2 PHE A 56 0.730 3.126 -1.907 1.00 0.00 C ATOM 916 CZ PHE A 56 -0.081 4.079 -2.536 1.00 0.00 C ATOM 0 H PHE A 56 0.482 4.393 4.199 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.255 5.357 2.162 1.00 0.00 H new ATOM 0 HB2 PHE A 56 1.221 5.076 1.967 1.00 0.00 H new ATOM 0 HB3 PHE A 56 1.042 3.335 2.061 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -0.957 5.925 0.186 1.00 0.00 H new ATOM 0 HD2 PHE A 56 1.555 2.448 -0.037 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -1.315 5.824 -2.266 1.00 0.00 H new ATOM 0 HE2 PHE A 56 1.200 2.348 -2.490 1.00 0.00 H new ATOM 0 HZ PHE A 56 -0.237 4.035 -3.604 1.00 0.00 H new ATOM 926 N VAL A 57 -1.488 2.120 2.740 1.00 0.00 N ATOM 927 CA VAL A 57 -2.352 0.936 2.483 1.00 0.00 C ATOM 928 C VAL A 57 -3.760 1.215 3.009 1.00 0.00 C ATOM 929 O VAL A 57 -4.733 0.695 2.499 1.00 0.00 O ATOM 930 CB VAL A 57 -1.767 -0.289 3.195 1.00 0.00 C ATOM 931 CG1 VAL A 57 -2.580 -1.533 2.829 1.00 0.00 C ATOM 932 CG2 VAL A 57 -0.311 -0.493 2.759 1.00 0.00 C ATOM 0 H VAL A 57 -0.725 1.960 3.398 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.397 0.741 1.412 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.807 -0.129 4.272 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.162 -2.403 3.336 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.616 -1.395 3.139 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -2.542 -1.689 1.751 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.102 -1.365 3.267 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.272 -0.649 1.681 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.274 0.389 3.019 1.00 0.00 H new ATOM 942 N ARG A 58 -3.873 2.033 4.027 1.00 0.00 N ATOM 943 CA ARG A 58 -5.217 2.351 4.590 1.00 0.00 C ATOM 944 C ARG A 58 -5.993 3.227 3.601 1.00 0.00 C ATOM 945 O ARG A 58 -7.200 3.126 3.491 1.00 0.00 O ATOM 946 CB ARG A 58 -5.049 3.096 5.922 1.00 0.00 C ATOM 947 CG ARG A 58 -6.046 2.552 6.948 1.00 0.00 C ATOM 948 CD ARG A 58 -5.396 1.410 7.730 1.00 0.00 C ATOM 949 NE ARG A 58 -4.443 1.974 8.726 1.00 0.00 N ATOM 950 CZ ARG A 58 -4.149 1.299 9.804 1.00 0.00 C ATOM 951 NH1 ARG A 58 -4.883 1.423 10.877 1.00 0.00 N ATOM 952 NH2 ARG A 58 -3.118 0.500 9.809 1.00 0.00 N ATOM 0 H ARG A 58 -3.090 2.493 4.491 1.00 0.00 H new ATOM 0 HA ARG A 58 -5.769 1.427 4.760 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -4.031 2.975 6.291 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -5.210 4.164 5.775 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -6.353 3.345 7.629 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -6.946 2.197 6.445 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -6.160 0.819 8.235 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -4.873 0.739 7.049 1.00 0.00 H new ATOM 0 HE ARG A 58 -4.020 2.888 8.566 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -5.689 2.049 10.874 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -4.651 0.894 11.718 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -2.543 0.404 8.972 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -2.886 -0.028 10.650 1.00 0.00 H new ATOM 966 N GLN A 59 -5.308 4.085 2.882 1.00 0.00 N ATOM 967 CA GLN A 59 -6.006 4.966 1.899 1.00 0.00 C ATOM 968 C GLN A 59 -6.574 4.115 0.761 1.00 0.00 C ATOM 969 O GLN A 59 -7.707 4.288 0.354 1.00 0.00 O ATOM 970 CB GLN A 59 -5.019 5.982 1.305 1.00 0.00 C ATOM 971 CG GLN A 59 -4.556 6.980 2.373 1.00 0.00 C ATOM 972 CD GLN A 59 -5.761 7.737 2.940 1.00 0.00 C ATOM 973 OE1 GLN A 59 -5.920 7.834 4.141 1.00 0.00 O ATOM 974 NE2 GLN A 59 -6.620 8.281 2.123 1.00 0.00 N ATOM 0 H GLN A 59 -4.297 4.211 2.935 1.00 0.00 H new ATOM 0 HA GLN A 59 -6.810 5.493 2.413 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -4.157 5.459 0.891 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -5.492 6.517 0.482 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -4.037 6.453 3.174 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -3.844 7.684 1.941 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -6.487 8.200 1.115 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -7.425 8.788 2.492 1.00 0.00 H new ATOM 983 N LEU A 60 -5.787 3.210 0.237 1.00 0.00 N ATOM 984 CA LEU A 60 -6.268 2.352 -0.891 1.00 0.00 C ATOM 985 C LEU A 60 -7.432 1.468 -0.429 1.00 0.00 C ATOM 986 O LEU A 60 -8.389 1.264 -1.153 1.00 0.00 O ATOM 987 CB LEU A 60 -5.122 1.461 -1.377 1.00 0.00 C ATOM 988 CG LEU A 60 -3.936 2.331 -1.804 1.00 0.00 C ATOM 989 CD1 LEU A 60 -2.690 1.458 -1.961 1.00 0.00 C ATOM 990 CD2 LEU A 60 -4.254 3.009 -3.138 1.00 0.00 C ATOM 0 H LEU A 60 -4.831 3.027 0.541 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.609 2.996 -1.702 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.818 0.779 -0.583 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -5.455 0.848 -2.214 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.753 3.091 -1.044 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.847 2.078 -2.265 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.462 0.976 -1.011 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.872 0.697 -2.720 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.410 3.628 -3.442 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -4.439 2.249 -3.897 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -5.140 3.633 -3.027 1.00 0.00 H new ATOM 1002 N ASN A 61 -7.351 0.936 0.761 1.00 0.00 N ATOM 1003 CA ASN A 61 -8.440 0.051 1.273 1.00 0.00 C ATOM 1004 C ASN A 61 -9.684 0.877 1.622 1.00 0.00 C ATOM 1005 O ASN A 61 -10.783 0.357 1.669 1.00 0.00 O ATOM 1006 CB ASN A 61 -7.951 -0.679 2.526 1.00 0.00 C ATOM 1007 CG ASN A 61 -7.206 -1.954 2.120 1.00 0.00 C ATOM 1008 OD1 ASN A 61 -6.080 -1.897 1.671 1.00 0.00 O ATOM 1009 ND2 ASN A 61 -7.795 -3.111 2.259 1.00 0.00 N ATOM 0 H ASN A 61 -6.573 1.077 1.405 1.00 0.00 H new ATOM 0 HA ASN A 61 -8.701 -0.669 0.498 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -7.293 -0.030 3.104 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -8.796 -0.928 3.167 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -7.309 -3.966 1.990 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -8.741 -3.159 2.636 1.00 0.00 H new ATOM 1016 N MET A 62 -9.523 2.153 1.879 1.00 0.00 N ATOM 1017 CA MET A 62 -10.699 3.003 2.240 1.00 0.00 C ATOM 1018 C MET A 62 -11.439 3.479 0.978 1.00 0.00 C ATOM 1019 O MET A 62 -12.359 4.270 1.068 1.00 0.00 O ATOM 1020 CB MET A 62 -10.215 4.222 3.041 1.00 0.00 C ATOM 1021 CG MET A 62 -10.616 4.074 4.511 1.00 0.00 C ATOM 1022 SD MET A 62 -9.803 5.361 5.490 1.00 0.00 S ATOM 1023 CE MET A 62 -10.513 6.784 4.626 1.00 0.00 C ATOM 0 H MET A 62 -8.628 2.641 1.854 1.00 0.00 H new ATOM 0 HA MET A 62 -11.388 2.410 2.841 1.00 0.00 H new ATOM 0 HB2 MET A 62 -9.132 4.315 2.958 1.00 0.00 H new ATOM 0 HB3 MET A 62 -10.646 5.134 2.628 1.00 0.00 H new ATOM 0 HG2 MET A 62 -11.698 4.153 4.614 1.00 0.00 H new ATOM 0 HG3 MET A 62 -10.332 3.088 4.879 1.00 0.00 H new ATOM 0 HE1 MET A 62 -10.507 7.651 5.287 1.00 0.00 H new ATOM 0 HE2 MET A 62 -9.922 7.001 3.736 1.00 0.00 H new ATOM 0 HE3 MET A 62 -11.539 6.558 4.334 1.00 0.00 H new ATOM 1033 N TYR A 63 -11.057 3.015 -0.192 1.00 0.00 N ATOM 1034 CA TYR A 63 -11.757 3.460 -1.432 1.00 0.00 C ATOM 1035 C TYR A 63 -12.330 2.245 -2.169 1.00 0.00 C ATOM 1036 O TYR A 63 -13.434 2.290 -2.681 1.00 0.00 O ATOM 1037 CB TYR A 63 -10.771 4.202 -2.336 1.00 0.00 C ATOM 1038 CG TYR A 63 -10.519 5.580 -1.770 1.00 0.00 C ATOM 1039 CD1 TYR A 63 -11.587 6.469 -1.601 1.00 0.00 C ATOM 1040 CD2 TYR A 63 -9.222 5.970 -1.416 1.00 0.00 C ATOM 1041 CE1 TYR A 63 -11.359 7.749 -1.080 1.00 0.00 C ATOM 1042 CE2 TYR A 63 -8.993 7.250 -0.896 1.00 0.00 C ATOM 1043 CZ TYR A 63 -10.062 8.139 -0.727 1.00 0.00 C ATOM 1044 OH TYR A 63 -9.836 9.401 -0.215 1.00 0.00 O ATOM 0 H TYR A 63 -10.295 2.352 -0.336 1.00 0.00 H new ATOM 0 HA TYR A 63 -12.575 4.130 -1.166 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -9.835 3.648 -2.406 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -11.172 4.279 -3.347 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -12.588 6.168 -1.873 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -8.398 5.284 -1.544 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -12.183 8.435 -0.951 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -7.992 7.552 -0.625 1.00 0.00 H new ATOM 0 HH TYR A 63 -8.947 9.433 0.195 1.00 0.00 H new ATOM 1054 N GLY A 64 -11.599 1.159 -2.220 1.00 0.00 N ATOM 1055 CA GLY A 64 -12.114 -0.057 -2.920 1.00 0.00 C ATOM 1056 C GLY A 64 -10.955 -0.975 -3.325 1.00 0.00 C ATOM 1057 O GLY A 64 -11.135 -2.166 -3.494 1.00 0.00 O ATOM 0 H GLY A 64 -10.671 1.062 -1.808 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -12.801 -0.596 -2.268 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -12.679 0.237 -3.805 1.00 0.00 H new ATOM 1061 N TRP A 65 -9.769 -0.436 -3.484 1.00 0.00 N ATOM 1062 CA TRP A 65 -8.601 -1.285 -3.880 1.00 0.00 C ATOM 1063 C TRP A 65 -8.368 -2.366 -2.819 1.00 0.00 C ATOM 1064 O TRP A 65 -7.815 -2.101 -1.768 1.00 0.00 O ATOM 1065 CB TRP A 65 -7.344 -0.418 -3.983 1.00 0.00 C ATOM 1066 CG TRP A 65 -7.489 0.558 -5.103 1.00 0.00 C ATOM 1067 CD1 TRP A 65 -8.041 1.788 -4.996 1.00 0.00 C ATOM 1068 CD2 TRP A 65 -7.088 0.409 -6.496 1.00 0.00 C ATOM 1069 NE1 TRP A 65 -8.002 2.405 -6.233 1.00 0.00 N ATOM 1070 CE2 TRP A 65 -7.424 1.595 -7.191 1.00 0.00 C ATOM 1071 CE3 TRP A 65 -6.469 -0.629 -7.218 1.00 0.00 C ATOM 1072 CZ2 TRP A 65 -7.157 1.745 -8.552 1.00 0.00 C ATOM 1073 CZ3 TRP A 65 -6.200 -0.481 -8.589 1.00 0.00 C ATOM 1074 CH2 TRP A 65 -6.544 0.703 -9.255 1.00 0.00 C ATOM 0 H TRP A 65 -9.560 0.554 -3.357 1.00 0.00 H new ATOM 0 HA TRP A 65 -8.810 -1.749 -4.844 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -7.181 0.113 -3.045 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -6.470 -1.048 -4.149 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -8.446 2.218 -4.092 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -8.357 3.344 -6.416 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -6.199 -1.545 -6.714 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -7.422 2.661 -9.060 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -5.725 -1.284 -9.133 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -6.336 0.811 -10.309 1.00 0.00 H new ATOM 1085 N HIS A 66 -8.780 -3.579 -3.087 1.00 0.00 N ATOM 1086 CA HIS A 66 -8.579 -4.679 -2.097 1.00 0.00 C ATOM 1087 C HIS A 66 -7.464 -5.606 -2.589 1.00 0.00 C ATOM 1088 O HIS A 66 -6.811 -5.330 -3.574 1.00 0.00 O ATOM 1089 CB HIS A 66 -9.876 -5.479 -1.949 1.00 0.00 C ATOM 1090 CG HIS A 66 -10.941 -4.607 -1.342 1.00 0.00 C ATOM 1091 ND1 HIS A 66 -10.749 -3.926 -0.150 1.00 0.00 N ATOM 1092 CD2 HIS A 66 -12.217 -4.299 -1.748 1.00 0.00 C ATOM 1093 CE1 HIS A 66 -11.882 -3.249 0.117 1.00 0.00 C ATOM 1094 NE2 HIS A 66 -12.808 -3.442 -0.825 1.00 0.00 N ATOM 0 H HIS A 66 -9.248 -3.855 -3.950 1.00 0.00 H new ATOM 0 HA HIS A 66 -8.303 -4.253 -1.132 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -10.203 -5.845 -2.923 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -9.706 -6.353 -1.321 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -12.689 -4.666 -2.647 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -12.024 -2.626 0.987 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -13.747 -3.046 -0.860 1.00 0.00 H new ATOM 1102 N LYS A 67 -7.250 -6.708 -1.918 1.00 0.00 N ATOM 1103 CA LYS A 67 -6.187 -7.658 -2.359 1.00 0.00 C ATOM 1104 C LYS A 67 -6.848 -8.800 -3.133 1.00 0.00 C ATOM 1105 O LYS A 67 -6.578 -9.965 -2.905 1.00 0.00 O ATOM 1106 CB LYS A 67 -5.447 -8.214 -1.139 1.00 0.00 C ATOM 1107 CG LYS A 67 -4.785 -7.064 -0.371 1.00 0.00 C ATOM 1108 CD LYS A 67 -3.316 -6.938 -0.793 1.00 0.00 C ATOM 1109 CE LYS A 67 -2.424 -7.632 0.238 1.00 0.00 C ATOM 1110 NZ LYS A 67 -1.115 -7.976 -0.387 1.00 0.00 N ATOM 0 H LYS A 67 -7.765 -6.991 -1.084 1.00 0.00 H new ATOM 0 HA LYS A 67 -5.468 -7.144 -2.997 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -6.143 -8.745 -0.490 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -4.693 -8.935 -1.456 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -5.312 -6.131 -0.570 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -4.851 -7.245 0.702 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -3.170 -7.386 -1.776 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -3.041 -5.887 -0.878 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -2.268 -6.980 1.097 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -2.911 -8.535 0.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -0.509 -8.448 0.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -1.272 -8.613 -1.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -0.649 -7.107 -0.718 1.00 0.00 H new ATOM 1124 N VAL A 68 -7.726 -8.462 -4.043 1.00 0.00 N ATOM 1125 CA VAL A 68 -8.434 -9.506 -4.839 1.00 0.00 C ATOM 1126 C VAL A 68 -7.745 -9.687 -6.193 1.00 0.00 C ATOM 1127 O VAL A 68 -7.904 -8.883 -7.093 1.00 0.00 O ATOM 1128 CB VAL A 68 -9.887 -9.074 -5.061 1.00 0.00 C ATOM 1129 CG1 VAL A 68 -10.657 -10.179 -5.800 1.00 0.00 C ATOM 1130 CG2 VAL A 68 -10.548 -8.801 -3.705 1.00 0.00 C ATOM 0 H VAL A 68 -7.983 -7.501 -4.269 1.00 0.00 H new ATOM 0 HA VAL A 68 -8.408 -10.451 -4.296 1.00 0.00 H new ATOM 0 HB VAL A 68 -9.905 -8.167 -5.665 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -11.689 -9.863 -5.953 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -10.187 -10.366 -6.766 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -10.642 -11.093 -5.206 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -11.582 -8.493 -3.860 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -10.526 -9.708 -3.100 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -10.007 -8.008 -3.190 1.00 0.00 H new ATOM 1140 N GLN A 69 -6.994 -10.747 -6.344 1.00 0.00 N ATOM 1141 CA GLN A 69 -6.301 -11.007 -7.640 1.00 0.00 C ATOM 1142 C GLN A 69 -6.797 -12.338 -8.211 1.00 0.00 C ATOM 1143 O GLN A 69 -6.075 -13.042 -8.890 1.00 0.00 O ATOM 1144 CB GLN A 69 -4.787 -11.077 -7.404 1.00 0.00 C ATOM 1145 CG GLN A 69 -4.056 -10.361 -8.543 1.00 0.00 C ATOM 1146 CD GLN A 69 -4.042 -11.254 -9.786 1.00 0.00 C ATOM 1147 OE1 GLN A 69 -3.296 -12.211 -9.851 1.00 0.00 O ATOM 1148 NE2 GLN A 69 -4.838 -10.978 -10.782 1.00 0.00 N ATOM 0 H GLN A 69 -6.830 -11.447 -5.621 1.00 0.00 H new ATOM 0 HA GLN A 69 -6.517 -10.203 -8.344 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -4.536 -10.614 -6.450 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -4.465 -12.117 -7.349 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -4.550 -9.416 -8.768 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -3.036 -10.124 -8.242 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -5.464 -10.175 -10.727 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -4.834 -11.566 -11.616 1.00 0.00 H new ATOM 1157 N ASP A 70 -8.030 -12.685 -7.936 1.00 0.00 N ATOM 1158 CA ASP A 70 -8.591 -13.967 -8.452 1.00 0.00 C ATOM 1159 C ASP A 70 -10.093 -14.003 -8.173 1.00 0.00 C ATOM 1160 O ASP A 70 -10.628 -13.138 -7.504 1.00 0.00 O ATOM 1161 CB ASP A 70 -7.906 -15.144 -7.745 1.00 0.00 C ATOM 1162 CG ASP A 70 -6.870 -15.775 -8.679 1.00 0.00 C ATOM 1163 OD1 ASP A 70 -7.190 -15.973 -9.839 1.00 0.00 O ATOM 1164 OD2 ASP A 70 -5.774 -16.050 -8.218 1.00 0.00 O ATOM 0 H ASP A 70 -8.674 -12.130 -7.372 1.00 0.00 H new ATOM 0 HA ASP A 70 -8.417 -14.042 -9.525 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -7.423 -14.800 -6.830 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -8.648 -15.888 -7.454 1.00 0.00 H new ATOM 1169 N VAL A 71 -10.776 -14.996 -8.681 1.00 0.00 N ATOM 1170 CA VAL A 71 -12.247 -15.093 -8.451 1.00 0.00 C ATOM 1171 C VAL A 71 -12.537 -16.229 -7.467 1.00 0.00 C ATOM 1172 O VAL A 71 -13.515 -16.198 -6.743 1.00 0.00 O ATOM 1173 CB VAL A 71 -12.957 -15.374 -9.779 1.00 0.00 C ATOM 1174 CG1 VAL A 71 -14.473 -15.335 -9.569 1.00 0.00 C ATOM 1175 CG2 VAL A 71 -12.563 -14.310 -10.808 1.00 0.00 C ATOM 0 H VAL A 71 -10.377 -15.745 -9.246 1.00 0.00 H new ATOM 0 HA VAL A 71 -12.611 -14.152 -8.038 1.00 0.00 H new ATOM 0 HB VAL A 71 -12.663 -16.359 -10.141 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -14.977 -15.535 -10.515 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -14.759 -16.092 -8.839 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -14.765 -14.350 -9.204 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -13.069 -14.512 -11.752 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -12.855 -13.325 -10.443 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -11.484 -14.335 -10.962 1.00 0.00 H new ATOM 1185 N LYS A 72 -11.694 -17.232 -7.436 1.00 0.00 N ATOM 1186 CA LYS A 72 -11.916 -18.373 -6.501 1.00 0.00 C ATOM 1187 C LYS A 72 -10.682 -18.554 -5.609 1.00 0.00 C ATOM 1188 O LYS A 72 -10.258 -19.662 -5.341 1.00 0.00 O ATOM 1189 CB LYS A 72 -12.163 -19.651 -7.308 1.00 0.00 C ATOM 1190 CG LYS A 72 -13.180 -20.530 -6.574 1.00 0.00 C ATOM 1191 CD LYS A 72 -13.199 -21.928 -7.198 1.00 0.00 C ATOM 1192 CE LYS A 72 -12.187 -22.828 -6.483 1.00 0.00 C ATOM 1193 NZ LYS A 72 -12.783 -24.178 -6.276 1.00 0.00 N ATOM 0 H LYS A 72 -10.861 -17.308 -8.020 1.00 0.00 H new ATOM 0 HA LYS A 72 -12.784 -18.167 -5.874 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -12.533 -19.400 -8.302 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -11.228 -20.194 -7.444 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -12.922 -20.596 -5.517 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -14.172 -20.082 -6.632 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -14.198 -22.357 -7.122 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -12.958 -21.866 -8.259 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -11.274 -22.908 -7.074 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -11.909 -22.391 -5.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -12.096 -24.790 -5.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -13.642 -24.093 -5.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -13.027 -24.595 -7.197 1.00 0.00 H new ATOM 1207 N SER A 73 -10.111 -17.471 -5.146 1.00 0.00 N ATOM 1208 CA SER A 73 -8.908 -17.568 -4.267 1.00 0.00 C ATOM 1209 C SER A 73 -9.360 -17.770 -2.818 1.00 0.00 C ATOM 1210 O SER A 73 -8.926 -18.686 -2.145 1.00 0.00 O ATOM 1211 CB SER A 73 -8.095 -16.278 -4.377 1.00 0.00 C ATOM 1212 OG SER A 73 -6.857 -16.442 -3.698 1.00 0.00 O ATOM 0 H SER A 73 -10.428 -16.521 -5.340 1.00 0.00 H new ATOM 0 HA SER A 73 -8.290 -18.411 -4.577 1.00 0.00 H new ATOM 0 HB2 SER A 73 -7.919 -16.034 -5.425 1.00 0.00 H new ATOM 0 HB3 SER A 73 -8.652 -15.446 -3.946 1.00 0.00 H new ATOM 0 HG SER A 73 -6.333 -15.617 -3.769 1.00 0.00 H new ATOM 1218 N GLY A 74 -10.233 -16.920 -2.339 1.00 0.00 N ATOM 1219 CA GLY A 74 -10.729 -17.053 -0.937 1.00 0.00 C ATOM 1220 C GLY A 74 -9.629 -16.639 0.043 1.00 0.00 C ATOM 1221 O GLY A 74 -9.077 -17.460 0.748 1.00 0.00 O ATOM 0 H GLY A 74 -10.625 -16.137 -2.862 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -11.611 -16.429 -0.793 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -11.032 -18.082 -0.745 1.00 0.00 H new ATOM 1225 N SER A 75 -9.314 -15.368 0.093 1.00 0.00 N ATOM 1226 CA SER A 75 -8.254 -14.883 1.028 1.00 0.00 C ATOM 1227 C SER A 75 -6.918 -15.555 0.692 1.00 0.00 C ATOM 1228 O SER A 75 -6.716 -16.725 0.958 1.00 0.00 O ATOM 1229 CB SER A 75 -8.647 -15.216 2.471 1.00 0.00 C ATOM 1230 OG SER A 75 -8.240 -14.155 3.325 1.00 0.00 O ATOM 0 H SER A 75 -9.749 -14.642 -0.477 1.00 0.00 H new ATOM 0 HA SER A 75 -8.150 -13.803 0.921 1.00 0.00 H new ATOM 0 HB2 SER A 75 -9.725 -15.362 2.542 1.00 0.00 H new ATOM 0 HB3 SER A 75 -8.177 -16.149 2.782 1.00 0.00 H new ATOM 0 HG SER A 75 -8.491 -14.364 4.249 1.00 0.00 H new ATOM 1236 N MET A 76 -6.004 -14.817 0.117 1.00 0.00 N ATOM 1237 CA MET A 76 -4.676 -15.393 -0.235 1.00 0.00 C ATOM 1238 C MET A 76 -3.735 -15.230 0.959 1.00 0.00 C ATOM 1239 O MET A 76 -2.849 -14.394 0.958 1.00 0.00 O ATOM 1240 CB MET A 76 -4.106 -14.659 -1.451 1.00 0.00 C ATOM 1241 CG MET A 76 -3.173 -15.597 -2.224 1.00 0.00 C ATOM 1242 SD MET A 76 -1.784 -14.657 -2.908 1.00 0.00 S ATOM 1243 CE MET A 76 -1.427 -15.764 -4.293 1.00 0.00 C ATOM 0 H MET A 76 -6.124 -13.833 -0.125 1.00 0.00 H new ATOM 0 HA MET A 76 -4.781 -16.451 -0.477 1.00 0.00 H new ATOM 0 HB2 MET A 76 -4.916 -14.321 -2.097 1.00 0.00 H new ATOM 0 HB3 MET A 76 -3.562 -13.771 -1.131 1.00 0.00 H new ATOM 0 HG2 MET A 76 -2.803 -16.381 -1.564 1.00 0.00 H new ATOM 0 HG3 MET A 76 -3.721 -16.089 -3.027 1.00 0.00 H new ATOM 0 HE1 MET A 76 -0.586 -15.372 -4.865 1.00 0.00 H new ATOM 0 HE2 MET A 76 -1.176 -16.754 -3.912 1.00 0.00 H new ATOM 0 HE3 MET A 76 -2.303 -15.835 -4.938 1.00 0.00 H new ATOM 1253 N LEU A 77 -3.935 -16.016 1.983 1.00 0.00 N ATOM 1254 CA LEU A 77 -3.071 -15.916 3.197 1.00 0.00 C ATOM 1255 C LEU A 77 -1.845 -16.827 3.046 1.00 0.00 C ATOM 1256 O LEU A 77 -1.588 -17.684 3.875 1.00 0.00 O ATOM 1257 CB LEU A 77 -3.878 -16.338 4.431 1.00 0.00 C ATOM 1258 CG LEU A 77 -3.174 -15.839 5.705 1.00 0.00 C ATOM 1259 CD1 LEU A 77 -3.962 -14.673 6.310 1.00 0.00 C ATOM 1260 CD2 LEU A 77 -3.090 -16.974 6.731 1.00 0.00 C ATOM 0 H LEU A 77 -4.664 -16.728 2.032 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.734 -14.886 3.314 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.886 -15.927 4.376 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.977 -17.423 4.460 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.169 -15.506 5.446 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.459 -14.323 7.212 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.019 -13.859 5.588 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -4.969 -15.006 6.562 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.591 -16.615 7.631 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -4.095 -17.311 6.984 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.524 -17.805 6.309 1.00 0.00 H new ATOM 1272 N SER A 78 -1.080 -16.639 2.001 1.00 0.00 N ATOM 1273 CA SER A 78 0.138 -17.479 1.797 1.00 0.00 C ATOM 1274 C SER A 78 1.376 -16.611 2.023 1.00 0.00 C ATOM 1275 O SER A 78 2.361 -17.048 2.586 1.00 0.00 O ATOM 1276 CB SER A 78 0.150 -18.029 0.369 1.00 0.00 C ATOM 1277 OG SER A 78 0.939 -19.212 0.327 1.00 0.00 O ATOM 0 H SER A 78 -1.247 -15.938 1.279 1.00 0.00 H new ATOM 0 HA SER A 78 0.136 -18.313 2.499 1.00 0.00 H new ATOM 0 HB2 SER A 78 -0.867 -18.245 0.042 1.00 0.00 H new ATOM 0 HB3 SER A 78 0.554 -17.284 -0.316 1.00 0.00 H new ATOM 0 HG SER A 78 0.947 -19.568 -0.586 1.00 0.00 H new ATOM 1283 N ASN A 79 1.322 -15.375 1.594 1.00 0.00 N ATOM 1284 CA ASN A 79 2.482 -14.454 1.782 1.00 0.00 C ATOM 1285 C ASN A 79 2.015 -13.223 2.560 1.00 0.00 C ATOM 1286 O ASN A 79 0.902 -12.761 2.389 1.00 0.00 O ATOM 1287 CB ASN A 79 3.030 -14.012 0.416 1.00 0.00 C ATOM 1288 CG ASN A 79 3.186 -15.224 -0.508 1.00 0.00 C ATOM 1289 OD1 ASN A 79 2.939 -15.134 -1.695 1.00 0.00 O ATOM 1290 ND2 ASN A 79 3.588 -16.363 -0.011 1.00 0.00 N ATOM 0 H ASN A 79 0.519 -14.963 1.119 1.00 0.00 H new ATOM 0 HA ASN A 79 3.269 -14.970 2.331 1.00 0.00 H new ATOM 0 HB2 ASN A 79 2.356 -13.285 -0.037 1.00 0.00 H new ATOM 0 HB3 ASN A 79 3.993 -13.517 0.545 1.00 0.00 H new ATOM 0 HD21 ASN A 79 3.694 -17.175 -0.619 1.00 0.00 H new ATOM 0 HD22 ASN A 79 3.796 -16.440 0.985 1.00 0.00 H new ATOM 1297 N ASN A 80 2.852 -12.688 3.415 1.00 0.00 N ATOM 1298 CA ASN A 80 2.451 -11.487 4.209 1.00 0.00 C ATOM 1299 C ASN A 80 3.649 -10.538 4.345 1.00 0.00 C ATOM 1300 O ASN A 80 3.896 -9.981 5.398 1.00 0.00 O ATOM 1301 CB ASN A 80 1.968 -11.936 5.599 1.00 0.00 C ATOM 1302 CG ASN A 80 0.455 -11.724 5.714 1.00 0.00 C ATOM 1303 OD1 ASN A 80 -0.315 -12.381 5.040 1.00 0.00 O ATOM 1304 ND2 ASN A 80 -0.007 -10.828 6.543 1.00 0.00 N ATOM 0 H ASN A 80 3.795 -13.032 3.597 1.00 0.00 H new ATOM 0 HA ASN A 80 1.642 -10.962 3.702 1.00 0.00 H new ATOM 0 HB2 ASN A 80 2.211 -12.987 5.757 1.00 0.00 H new ATOM 0 HB3 ASN A 80 2.484 -11.370 6.374 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -1.013 -10.680 6.625 1.00 0.00 H new ATOM 0 HD22 ASN A 80 0.638 -10.276 7.109 1.00 0.00 H new ATOM 1311 N ASP A 81 4.393 -10.350 3.283 1.00 0.00 N ATOM 1312 CA ASP A 81 5.576 -9.437 3.337 1.00 0.00 C ATOM 1313 C ASP A 81 6.242 -9.393 1.956 1.00 0.00 C ATOM 1314 O ASP A 81 6.580 -10.416 1.391 1.00 0.00 O ATOM 1315 CB ASP A 81 6.580 -9.960 4.380 1.00 0.00 C ATOM 1316 CG ASP A 81 6.907 -8.855 5.388 1.00 0.00 C ATOM 1317 OD1 ASP A 81 7.594 -7.921 5.010 1.00 0.00 O ATOM 1318 OD2 ASP A 81 6.463 -8.963 6.520 1.00 0.00 O ATOM 0 H ASP A 81 4.231 -10.791 2.378 1.00 0.00 H new ATOM 0 HA ASP A 81 5.255 -8.434 3.619 1.00 0.00 H new ATOM 0 HB2 ASP A 81 6.163 -10.824 4.897 1.00 0.00 H new ATOM 0 HB3 ASP A 81 7.492 -10.294 3.885 1.00 0.00 H new ATOM 1323 N SER A 82 6.426 -8.214 1.404 1.00 0.00 N ATOM 1324 CA SER A 82 7.058 -8.092 0.062 1.00 0.00 C ATOM 1325 C SER A 82 6.106 -8.669 -0.980 1.00 0.00 C ATOM 1326 O SER A 82 5.625 -9.778 -0.851 1.00 0.00 O ATOM 1327 CB SER A 82 8.401 -8.836 0.030 1.00 0.00 C ATOM 1328 OG SER A 82 9.412 -7.957 -0.449 1.00 0.00 O ATOM 0 H SER A 82 6.161 -7.328 1.835 1.00 0.00 H new ATOM 0 HA SER A 82 7.252 -7.042 -0.157 1.00 0.00 H new ATOM 0 HB2 SER A 82 8.656 -9.193 1.028 1.00 0.00 H new ATOM 0 HB3 SER A 82 8.329 -9.712 -0.614 1.00 0.00 H new ATOM 0 HG SER A 82 10.272 -8.427 -0.469 1.00 0.00 H new ATOM 1334 N ARG A 83 5.827 -7.898 -1.998 1.00 0.00 N ATOM 1335 CA ARG A 83 4.895 -8.321 -3.095 1.00 0.00 C ATOM 1336 C ARG A 83 3.449 -8.095 -2.653 1.00 0.00 C ATOM 1337 O ARG A 83 2.873 -8.895 -1.943 1.00 0.00 O ATOM 1338 CB ARG A 83 5.097 -9.795 -3.477 1.00 0.00 C ATOM 1339 CG ARG A 83 4.751 -9.985 -4.955 1.00 0.00 C ATOM 1340 CD ARG A 83 6.036 -10.016 -5.788 1.00 0.00 C ATOM 1341 NE ARG A 83 6.919 -11.114 -5.302 1.00 0.00 N ATOM 1342 CZ ARG A 83 8.180 -11.132 -5.638 1.00 0.00 C ATOM 1343 NH1 ARG A 83 8.521 -11.300 -6.886 1.00 0.00 N ATOM 1344 NH2 ARG A 83 9.101 -10.983 -4.726 1.00 0.00 N ATOM 0 H ARG A 83 6.217 -6.964 -2.121 1.00 0.00 H new ATOM 0 HA ARG A 83 5.115 -7.717 -3.975 1.00 0.00 H new ATOM 0 HB2 ARG A 83 6.129 -10.093 -3.292 1.00 0.00 H new ATOM 0 HB3 ARG A 83 4.465 -10.433 -2.859 1.00 0.00 H new ATOM 0 HG2 ARG A 83 4.195 -10.913 -5.092 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.106 -9.174 -5.294 1.00 0.00 H new ATOM 0 HD2 ARG A 83 5.796 -10.167 -6.840 1.00 0.00 H new ATOM 0 HD3 ARG A 83 6.553 -9.059 -5.713 1.00 0.00 H new ATOM 0 HE ARG A 83 6.538 -11.850 -4.708 1.00 0.00 H new ATOM 0 HH11 ARG A 83 7.802 -11.417 -7.600 1.00 0.00 H new ATOM 0 HH12 ARG A 83 9.507 -11.314 -7.148 1.00 0.00 H new ATOM 0 HH21 ARG A 83 8.836 -10.852 -3.750 1.00 0.00 H new ATOM 0 HH22 ARG A 83 10.086 -10.997 -4.989 1.00 0.00 H new ATOM 1358 N TRP A 84 2.864 -7.001 -3.076 1.00 0.00 N ATOM 1359 CA TRP A 84 1.453 -6.697 -2.697 1.00 0.00 C ATOM 1360 C TRP A 84 0.612 -6.559 -3.970 1.00 0.00 C ATOM 1361 O TRP A 84 1.143 -6.408 -5.055 1.00 0.00 O ATOM 1362 CB TRP A 84 1.404 -5.384 -1.908 1.00 0.00 C ATOM 1363 CG TRP A 84 2.212 -5.509 -0.653 1.00 0.00 C ATOM 1364 CD1 TRP A 84 3.535 -5.788 -0.600 1.00 0.00 C ATOM 1365 CD2 TRP A 84 1.774 -5.356 0.731 1.00 0.00 C ATOM 1366 NE1 TRP A 84 3.935 -5.820 0.723 1.00 0.00 N ATOM 1367 CE2 TRP A 84 2.886 -5.560 1.581 1.00 0.00 C ATOM 1368 CE3 TRP A 84 0.531 -5.067 1.323 1.00 0.00 C ATOM 1369 CZ2 TRP A 84 2.771 -5.478 2.970 1.00 0.00 C ATOM 1370 CZ3 TRP A 84 0.412 -4.983 2.720 1.00 0.00 C ATOM 1371 CH2 TRP A 84 1.529 -5.189 3.542 1.00 0.00 C ATOM 0 H TRP A 84 3.308 -6.302 -3.672 1.00 0.00 H new ATOM 0 HA TRP A 84 1.058 -7.503 -2.079 1.00 0.00 H new ATOM 0 HB2 TRP A 84 1.790 -4.568 -2.519 1.00 0.00 H new ATOM 0 HB3 TRP A 84 0.371 -5.136 -1.662 1.00 0.00 H new ATOM 0 HD1 TRP A 84 4.175 -5.958 -1.453 1.00 0.00 H new ATOM 0 HE1 TRP A 84 4.889 -6.012 1.028 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -0.337 -4.909 0.700 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 3.635 -5.637 3.598 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -0.546 -4.758 3.164 1.00 0.00 H new ATOM 0 HH2 TRP A 84 1.430 -5.124 4.615 1.00 0.00 H new ATOM 1382 N GLU A 85 -0.690 -6.608 -3.847 1.00 0.00 N ATOM 1383 CA GLU A 85 -1.566 -6.478 -5.053 1.00 0.00 C ATOM 1384 C GLU A 85 -2.787 -5.612 -4.713 1.00 0.00 C ATOM 1385 O GLU A 85 -3.272 -5.620 -3.599 1.00 0.00 O ATOM 1386 CB GLU A 85 -2.035 -7.866 -5.497 1.00 0.00 C ATOM 1387 CG GLU A 85 -0.843 -8.671 -6.021 1.00 0.00 C ATOM 1388 CD GLU A 85 -1.265 -10.126 -6.235 1.00 0.00 C ATOM 1389 OE1 GLU A 85 -2.060 -10.613 -5.448 1.00 0.00 O ATOM 1390 OE2 GLU A 85 -0.786 -10.728 -7.182 1.00 0.00 O ATOM 0 H GLU A 85 -1.185 -6.732 -2.964 1.00 0.00 H new ATOM 0 HA GLU A 85 -1.002 -6.009 -5.859 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -2.499 -8.388 -4.660 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -2.793 -7.773 -6.275 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -0.485 -8.243 -6.958 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -0.017 -8.621 -5.312 1.00 0.00 H new ATOM 1397 N PHE A 86 -3.283 -4.866 -5.672 1.00 0.00 N ATOM 1398 CA PHE A 86 -4.471 -3.992 -5.418 1.00 0.00 C ATOM 1399 C PHE A 86 -5.431 -4.077 -6.611 1.00 0.00 C ATOM 1400 O PHE A 86 -5.010 -4.063 -7.754 1.00 0.00 O ATOM 1401 CB PHE A 86 -4.007 -2.544 -5.244 1.00 0.00 C ATOM 1402 CG PHE A 86 -3.296 -2.395 -3.920 1.00 0.00 C ATOM 1403 CD1 PHE A 86 -1.995 -2.886 -3.765 1.00 0.00 C ATOM 1404 CD2 PHE A 86 -3.938 -1.767 -2.849 1.00 0.00 C ATOM 1405 CE1 PHE A 86 -1.337 -2.749 -2.537 1.00 0.00 C ATOM 1406 CE2 PHE A 86 -3.281 -1.629 -1.620 1.00 0.00 C ATOM 1407 CZ PHE A 86 -1.981 -2.121 -1.464 1.00 0.00 C ATOM 0 H PHE A 86 -2.914 -4.825 -6.622 1.00 0.00 H new ATOM 0 HA PHE A 86 -4.982 -4.324 -4.514 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -3.340 -2.265 -6.060 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -4.862 -1.870 -5.287 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -1.498 -3.371 -4.593 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -4.942 -1.388 -2.969 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -0.333 -3.128 -2.417 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -3.778 -1.143 -0.793 1.00 0.00 H new ATOM 0 HZ PHE A 86 -1.474 -2.017 -0.516 1.00 0.00 H new ATOM 1417 N GLU A 87 -6.715 -4.164 -6.352 1.00 0.00 N ATOM 1418 CA GLU A 87 -7.706 -4.254 -7.465 1.00 0.00 C ATOM 1419 C GLU A 87 -8.988 -3.507 -7.089 1.00 0.00 C ATOM 1420 O GLU A 87 -9.708 -3.908 -6.193 1.00 0.00 O ATOM 1421 CB GLU A 87 -8.050 -5.723 -7.721 1.00 0.00 C ATOM 1422 CG GLU A 87 -7.047 -6.319 -8.706 1.00 0.00 C ATOM 1423 CD GLU A 87 -5.818 -6.818 -7.947 1.00 0.00 C ATOM 1424 OE1 GLU A 87 -5.986 -7.298 -6.837 1.00 0.00 O ATOM 1425 OE2 GLU A 87 -4.729 -6.714 -8.487 1.00 0.00 O ATOM 0 H GLU A 87 -7.117 -4.176 -5.415 1.00 0.00 H new ATOM 0 HA GLU A 87 -7.273 -3.807 -8.360 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -8.030 -6.280 -6.784 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.061 -5.806 -8.120 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -7.506 -7.141 -9.256 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -6.754 -5.569 -9.440 1.00 0.00 H new ATOM 1432 N ASN A 88 -9.289 -2.442 -7.786 1.00 0.00 N ATOM 1433 CA ASN A 88 -10.537 -1.678 -7.496 1.00 0.00 C ATOM 1434 C ASN A 88 -11.422 -1.717 -8.740 1.00 0.00 C ATOM 1435 O ASN A 88 -12.102 -0.765 -9.069 1.00 0.00 O ATOM 1436 CB ASN A 88 -10.194 -0.229 -7.151 1.00 0.00 C ATOM 1437 CG ASN A 88 -11.469 0.511 -6.745 1.00 0.00 C ATOM 1438 OD1 ASN A 88 -12.254 0.007 -5.968 1.00 0.00 O ATOM 1439 ND2 ASN A 88 -11.719 1.687 -7.251 1.00 0.00 N ATOM 0 H ASN A 88 -8.721 -2.068 -8.546 1.00 0.00 H new ATOM 0 HA ASN A 88 -11.058 -2.122 -6.648 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -9.468 -0.199 -6.338 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -9.733 0.261 -8.008 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -12.573 2.182 -6.994 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -11.060 2.112 -7.904 1.00 0.00 H new ATOM 1446 N GLU A 89 -11.401 -2.820 -9.434 1.00 0.00 N ATOM 1447 CA GLU A 89 -12.220 -2.953 -10.670 1.00 0.00 C ATOM 1448 C GLU A 89 -12.927 -4.308 -10.670 1.00 0.00 C ATOM 1449 O GLU A 89 -12.427 -5.275 -11.213 1.00 0.00 O ATOM 1450 CB GLU A 89 -11.303 -2.856 -11.888 1.00 0.00 C ATOM 1451 CG GLU A 89 -12.088 -2.306 -13.077 1.00 0.00 C ATOM 1452 CD GLU A 89 -12.305 -0.804 -12.894 1.00 0.00 C ATOM 1453 OE1 GLU A 89 -13.290 -0.438 -12.275 1.00 0.00 O ATOM 1454 OE2 GLU A 89 -11.481 -0.044 -13.377 1.00 0.00 O ATOM 0 H GLU A 89 -10.846 -3.642 -9.195 1.00 0.00 H new ATOM 0 HA GLU A 89 -12.965 -2.158 -10.706 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -10.456 -2.207 -11.667 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -10.898 -3.838 -12.130 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -11.546 -2.496 -14.003 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -13.048 -2.816 -13.160 1.00 0.00 H new ATOM 1461 N ARG A 90 -14.086 -4.383 -10.066 1.00 0.00 N ATOM 1462 CA ARG A 90 -14.832 -5.675 -10.027 1.00 0.00 C ATOM 1463 C ARG A 90 -16.239 -5.468 -10.592 1.00 0.00 C ATOM 1464 O ARG A 90 -16.837 -4.422 -10.427 1.00 0.00 O ATOM 1465 CB ARG A 90 -14.929 -6.169 -8.581 1.00 0.00 C ATOM 1466 CG ARG A 90 -15.507 -5.062 -7.695 1.00 0.00 C ATOM 1467 CD ARG A 90 -15.592 -5.554 -6.248 1.00 0.00 C ATOM 1468 NE ARG A 90 -16.969 -6.054 -5.971 1.00 0.00 N ATOM 1469 CZ ARG A 90 -17.140 -7.133 -5.258 1.00 0.00 C ATOM 1470 NH1 ARG A 90 -16.433 -7.320 -4.178 1.00 0.00 N ATOM 1471 NH2 ARG A 90 -18.019 -8.026 -5.623 1.00 0.00 N ATOM 0 H ARG A 90 -14.548 -3.603 -9.598 1.00 0.00 H new ATOM 0 HA ARG A 90 -14.304 -6.416 -10.627 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -15.561 -7.055 -8.531 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -13.943 -6.460 -8.219 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -14.879 -4.173 -7.751 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -16.497 -4.777 -8.051 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -14.865 -6.348 -6.080 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -15.343 -4.744 -5.562 1.00 0.00 H new ATOM 0 HE ARG A 90 -17.777 -5.552 -6.339 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -15.746 -6.623 -3.891 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -16.567 -8.164 -3.621 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -18.573 -7.881 -6.467 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -18.152 -8.869 -5.065 1.00 0.00 H new ATOM 1485 N HIS A 91 -16.770 -6.461 -11.261 1.00 0.00 N ATOM 1486 CA HIS A 91 -18.138 -6.332 -11.843 1.00 0.00 C ATOM 1487 C HIS A 91 -18.826 -7.701 -11.834 1.00 0.00 C ATOM 1488 O HIS A 91 -19.766 -7.927 -11.095 1.00 0.00 O ATOM 1489 CB HIS A 91 -18.032 -5.811 -13.285 1.00 0.00 C ATOM 1490 CG HIS A 91 -18.599 -4.417 -13.366 1.00 0.00 C ATOM 1491 ND1 HIS A 91 -19.753 -4.049 -12.693 1.00 0.00 N ATOM 1492 CD2 HIS A 91 -18.180 -3.292 -14.031 1.00 0.00 C ATOM 1493 CE1 HIS A 91 -19.987 -2.753 -12.965 1.00 0.00 C ATOM 1494 NE2 HIS A 91 -19.057 -2.242 -13.777 1.00 0.00 N ATOM 0 H HIS A 91 -16.312 -7.357 -11.429 1.00 0.00 H new ATOM 0 HA HIS A 91 -18.725 -5.631 -11.250 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -16.990 -5.809 -13.605 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -18.572 -6.473 -13.962 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -17.302 -3.231 -14.657 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -20.824 -2.194 -12.575 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -19.002 -1.288 -14.134 1.00 0.00 H new ATOM 1502 N ALA A 92 -18.362 -8.613 -12.650 1.00 0.00 N ATOM 1503 CA ALA A 92 -18.983 -9.970 -12.695 1.00 0.00 C ATOM 1504 C ALA A 92 -18.031 -10.941 -13.396 1.00 0.00 C ATOM 1505 O ALA A 92 -17.454 -10.554 -14.399 1.00 0.00 O ATOM 1506 CB ALA A 92 -20.303 -9.900 -13.467 1.00 0.00 C ATOM 1507 OXT ALA A 92 -17.895 -12.055 -12.918 1.00 0.00 O ATOM 0 H ALA A 92 -17.578 -8.475 -13.288 1.00 0.00 H new ATOM 0 HA ALA A 92 -19.174 -10.318 -11.680 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -20.758 -10.890 -13.501 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -20.980 -9.207 -12.968 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -20.113 -9.553 -14.483 1.00 0.00 H new TER 1513 ALA A 92