USER MOD reduce.3.24.130724 H: found=0, std=0, add=962, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 962 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 119 HIS : no HD1:sc= -0.223 X(o=-0.27,f=0) USER MOD Set 1.2: A 121 HIS : no HD1:sc= -0.0496 X(o=-0.27,f=0) USER MOD Set 2.1: A 16 HIS : no HE2:sc= -2.23 K(o=-2,f=-3.4!) USER MOD Set 2.2: A 99 THR OG1 : rot 58:sc= 0.202 USER MOD Set 3.1: A 17 TYR OH : rot -27:sc= 0.33 USER MOD Set 3.2: A 65 SER OG : rot 135:sc= 0.921 USER MOD Set 4.1: A 57 THR OG1 : rot 180:sc= 0.435 USER MOD Set 4.2: A 84 THR OG1 : rot -90:sc= 0.563 USER MOD Set 5.1: A 37 GLN : amide:sc= -0.296 K(o=-0.27,f=-4.4!) USER MOD Set 5.2: A 87 SER OG : rot 175:sc= 0.0308 USER MOD Set 6.1: A 13 GLN : amide:sc= -3.36! K(o=-3.1!,f=-0.55) USER MOD Set 6.2: A 95 ASN : amide:sc= 0.259 K(o=-3.1,f=-4.9!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0369) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -1.22 K(o=-1.2,f=-3.6!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 180:sc= -0.117 USER MOD Single : A 26 HIS : no HE2:sc= 0.224 K(o=0.22,f=-1.2) USER MOD Single : A 29 HIS : no HD1:sc= -0.353 X(o=-0.35,f=-0.67) USER MOD Single : A 32 SER OG : rot 36:sc= 0.236 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ -143:sc= 0.688 (180deg=-0.0383) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -1.39! K(o=-1.4!,f=-0.062) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot -74:sc= 0.0292 USER MOD Single : A 58 GLN : amide:sc= -0.845 K(o=-0.85,f=-0.026) USER MOD Single : A 59 THR OG1 : rot -63:sc= 0.22 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 179:sc= 0.452 (180deg=0.452) USER MOD Single : A 77 MET CE :methyl 161:sc= -0.0477 (180deg=-0.396) USER MOD Single : A 88 LYS NZ :NH3+ 148:sc= 0.0353 (180deg=-0.346) USER MOD Single : A 89 ASN : amide:sc= 0.119 K(o=0.12,f=-8.5!) USER MOD Single : A 93 LYS NZ :NH3+ 170:sc= -0.0196 (180deg=-0.15) USER MOD Single : A 94 GLN : amide:sc= -1.46 K(o=-1.5,f=-3.3!) USER MOD Single : A 102 TYR OH : rot 118:sc= 1.1 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 105 ASN : amide:sc= -0.547 K(o=-0.55,f=-2.8) USER MOD Single : A 106 THR OG1 : rot -170:sc= 0 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 GLN : amide:sc= -0.0576 K(o=-0.058,f=-2.8!) USER MOD Single : A 110 ASN : amide:sc= -0.364 X(o=-0.36,f=-0.099) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0336) USER MOD Single : A 117 HIS : no HE2:sc= -0.0607 K(o=-0.061,f=-1.1) USER MOD Single : A 118 HIS : no HD1:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 120 HIS : no HD1:sc= -0.782 K(o=-0.78,f=-0.0029) USER MOD Single : A 122 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 21.715 -28.301 1.949 1.00 0.00 N ATOM 2 CA MET A 1 20.306 -28.373 2.395 1.00 0.00 C ATOM 3 C MET A 1 19.607 -27.024 2.187 1.00 0.00 C ATOM 4 O MET A 1 20.144 -25.974 2.541 1.00 0.00 O ATOM 5 CB MET A 1 20.226 -28.804 3.880 1.00 0.00 C ATOM 6 CG MET A 1 18.792 -28.955 4.417 1.00 0.00 C ATOM 7 SD MET A 1 17.801 -30.094 3.424 1.00 0.00 S ATOM 8 CE MET A 1 16.174 -29.898 4.150 1.00 0.00 C ATOM 0 H1 MET A 1 22.173 -29.223 2.097 1.00 0.00 H new ATOM 0 H2 MET A 1 21.747 -28.056 0.939 1.00 0.00 H new ATOM 0 H3 MET A 1 22.216 -27.573 2.498 1.00 0.00 H new ATOM 0 HA MET A 1 19.793 -29.123 1.793 1.00 0.00 H new ATOM 0 HB2 MET A 1 20.749 -29.753 4.000 1.00 0.00 H new ATOM 0 HB3 MET A 1 20.754 -28.070 4.489 1.00 0.00 H new ATOM 0 HG2 MET A 1 18.828 -29.312 5.446 1.00 0.00 H new ATOM 0 HG3 MET A 1 18.309 -27.978 4.435 1.00 0.00 H new ATOM 0 HE1 MET A 1 15.465 -30.544 3.633 1.00 0.00 H new ATOM 0 HE2 MET A 1 16.211 -30.171 5.205 1.00 0.00 H new ATOM 0 HE3 MET A 1 15.856 -28.860 4.055 1.00 0.00 H new ATOM 20 N ILE A 2 18.397 -27.070 1.619 1.00 0.00 N ATOM 21 CA ILE A 2 17.579 -25.884 1.317 1.00 0.00 C ATOM 22 C ILE A 2 16.249 -25.985 2.074 1.00 0.00 C ATOM 23 O ILE A 2 15.690 -27.081 2.208 1.00 0.00 O ATOM 24 CB ILE A 2 17.304 -25.770 -0.241 1.00 0.00 C ATOM 25 CG1 ILE A 2 18.627 -25.508 -1.031 1.00 0.00 C ATOM 26 CG2 ILE A 2 16.240 -24.694 -0.578 1.00 0.00 C ATOM 27 CD1 ILE A 2 19.311 -24.184 -0.716 1.00 0.00 C ATOM 0 H ILE A 2 17.949 -27.946 1.351 1.00 0.00 H new ATOM 0 HA ILE A 2 18.120 -24.992 1.633 1.00 0.00 H new ATOM 0 HB ILE A 2 16.898 -26.731 -0.557 1.00 0.00 H new ATOM 0 HG12 ILE A 2 19.324 -26.319 -0.822 1.00 0.00 H new ATOM 0 HG13 ILE A 2 18.409 -25.542 -2.098 1.00 0.00 H new ATOM 0 HG21 ILE A 2 16.089 -24.657 -1.657 1.00 0.00 H new ATOM 0 HG22 ILE A 2 15.299 -24.947 -0.089 1.00 0.00 H new ATOM 0 HG23 ILE A 2 16.582 -23.721 -0.226 1.00 0.00 H new ATOM 0 HD11 ILE A 2 20.219 -24.093 -1.312 1.00 0.00 H new ATOM 0 HD12 ILE A 2 18.637 -23.361 -0.953 1.00 0.00 H new ATOM 0 HD13 ILE A 2 19.567 -24.150 0.343 1.00 0.00 H new ATOM 39 N GLU A 3 15.751 -24.839 2.573 1.00 0.00 N ATOM 40 CA GLU A 3 14.366 -24.731 3.081 1.00 0.00 C ATOM 41 C GLU A 3 13.593 -23.647 2.292 1.00 0.00 C ATOM 42 O GLU A 3 14.215 -22.692 1.790 1.00 0.00 O ATOM 43 CB GLU A 3 14.340 -24.429 4.605 1.00 0.00 C ATOM 44 CG GLU A 3 14.914 -23.064 5.024 1.00 0.00 C ATOM 45 CD GLU A 3 14.671 -22.729 6.505 1.00 0.00 C ATOM 46 OE1 GLU A 3 15.237 -23.418 7.378 1.00 0.00 O ATOM 47 OE2 GLU A 3 13.924 -21.776 6.806 1.00 0.00 O ATOM 0 H GLU A 3 16.286 -23.973 2.636 1.00 0.00 H new ATOM 0 HA GLU A 3 13.875 -25.692 2.932 1.00 0.00 H new ATOM 0 HB2 GLU A 3 13.308 -24.491 4.952 1.00 0.00 H new ATOM 0 HB3 GLU A 3 14.897 -25.211 5.121 1.00 0.00 H new ATOM 0 HG2 GLU A 3 15.986 -23.053 4.828 1.00 0.00 H new ATOM 0 HG3 GLU A 3 14.469 -22.285 4.405 1.00 0.00 H new ATOM 54 N PRO A 4 12.229 -23.797 2.137 1.00 0.00 N ATOM 55 CA PRO A 4 11.381 -22.751 1.523 1.00 0.00 C ATOM 56 C PRO A 4 11.213 -21.540 2.472 1.00 0.00 C ATOM 57 O PRO A 4 10.835 -21.702 3.642 1.00 0.00 O ATOM 58 CB PRO A 4 10.035 -23.482 1.270 1.00 0.00 C ATOM 59 CG PRO A 4 9.982 -24.571 2.296 1.00 0.00 C ATOM 60 CD PRO A 4 11.419 -25.000 2.513 1.00 0.00 C ATOM 0 HA PRO A 4 11.806 -22.334 0.610 1.00 0.00 H new ATOM 0 HB2 PRO A 4 9.191 -22.801 1.375 1.00 0.00 H new ATOM 0 HB3 PRO A 4 9.992 -23.890 0.260 1.00 0.00 H new ATOM 0 HG2 PRO A 4 9.536 -24.213 3.224 1.00 0.00 H new ATOM 0 HG3 PRO A 4 9.372 -25.406 1.950 1.00 0.00 H new ATOM 0 HD2 PRO A 4 11.595 -25.289 3.549 1.00 0.00 H new ATOM 0 HD3 PRO A 4 11.674 -25.860 1.894 1.00 0.00 H new ATOM 68 N ILE A 5 11.498 -20.327 1.962 1.00 0.00 N ATOM 69 CA ILE A 5 11.452 -19.094 2.755 1.00 0.00 C ATOM 70 C ILE A 5 10.742 -18.035 1.947 1.00 0.00 C ATOM 71 O ILE A 5 10.940 -17.906 0.743 1.00 0.00 O ATOM 72 CB ILE A 5 12.874 -18.560 3.173 1.00 0.00 C ATOM 73 CG1 ILE A 5 13.802 -18.373 1.939 1.00 0.00 C ATOM 74 CG2 ILE A 5 13.509 -19.502 4.205 1.00 0.00 C ATOM 75 CD1 ILE A 5 15.077 -17.596 2.189 1.00 0.00 C ATOM 0 H ILE A 5 11.766 -20.179 0.989 1.00 0.00 H new ATOM 0 HA ILE A 5 10.923 -19.322 3.680 1.00 0.00 H new ATOM 0 HB ILE A 5 12.747 -17.578 3.629 1.00 0.00 H new ATOM 0 HG12 ILE A 5 14.068 -19.358 1.555 1.00 0.00 H new ATOM 0 HG13 ILE A 5 13.237 -17.867 1.156 1.00 0.00 H new ATOM 0 HG21 ILE A 5 14.492 -19.124 4.487 1.00 0.00 H new ATOM 0 HG22 ILE A 5 12.873 -19.555 5.089 1.00 0.00 H new ATOM 0 HG23 ILE A 5 13.614 -20.497 3.773 1.00 0.00 H new ATOM 0 HD11 ILE A 5 15.648 -17.526 1.263 1.00 0.00 H new ATOM 0 HD12 ILE A 5 14.830 -16.594 2.540 1.00 0.00 H new ATOM 0 HD13 ILE A 5 15.673 -18.108 2.944 1.00 0.00 H new ATOM 87 N LYS A 6 9.882 -17.307 2.623 1.00 0.00 N ATOM 88 CA LYS A 6 9.068 -16.255 2.034 1.00 0.00 C ATOM 89 C LYS A 6 9.077 -15.058 2.994 1.00 0.00 C ATOM 90 O LYS A 6 9.081 -15.241 4.219 1.00 0.00 O ATOM 91 CB LYS A 6 7.614 -16.757 1.778 1.00 0.00 C ATOM 92 CG LYS A 6 7.347 -17.547 0.472 1.00 0.00 C ATOM 93 CD LYS A 6 7.833 -19.015 0.533 1.00 0.00 C ATOM 94 CE LYS A 6 7.457 -19.845 -0.700 1.00 0.00 C ATOM 95 NZ LYS A 6 5.996 -20.031 -0.835 1.00 0.00 N ATOM 0 H LYS A 6 9.722 -17.429 3.623 1.00 0.00 H new ATOM 0 HA LYS A 6 9.477 -15.960 1.068 1.00 0.00 H new ATOM 0 HB2 LYS A 6 7.324 -17.388 2.618 1.00 0.00 H new ATOM 0 HB3 LYS A 6 6.953 -15.890 1.788 1.00 0.00 H new ATOM 0 HG2 LYS A 6 6.278 -17.534 0.260 1.00 0.00 H new ATOM 0 HG3 LYS A 6 7.842 -17.042 -0.357 1.00 0.00 H new ATOM 0 HD2 LYS A 6 8.917 -19.024 0.648 1.00 0.00 H new ATOM 0 HD3 LYS A 6 7.414 -19.490 1.420 1.00 0.00 H new ATOM 0 HE2 LYS A 6 7.842 -19.355 -1.595 1.00 0.00 H new ATOM 0 HE3 LYS A 6 7.940 -20.820 -0.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 5.801 -20.694 -1.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 5.611 -20.414 0.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 5.547 -19.116 -1.040 1.00 0.00 H new ATOM 109 N ARG A 7 9.117 -13.842 2.428 1.00 0.00 N ATOM 110 CA ARG A 7 9.050 -12.589 3.206 1.00 0.00 C ATOM 111 C ARG A 7 7.774 -11.840 2.801 1.00 0.00 C ATOM 112 O ARG A 7 7.465 -11.765 1.607 1.00 0.00 O ATOM 113 CB ARG A 7 10.309 -11.712 2.940 1.00 0.00 C ATOM 114 CG ARG A 7 10.566 -10.618 4.003 1.00 0.00 C ATOM 115 CD ARG A 7 10.910 -11.203 5.376 1.00 0.00 C ATOM 116 NE ARG A 7 11.997 -12.187 5.286 1.00 0.00 N ATOM 117 CZ ARG A 7 13.287 -11.951 5.540 1.00 0.00 C ATOM 118 NH1 ARG A 7 13.710 -10.760 5.944 1.00 0.00 N ATOM 119 NH2 ARG A 7 14.146 -12.929 5.412 1.00 0.00 N ATOM 0 H ARG A 7 9.196 -13.697 1.422 1.00 0.00 H new ATOM 0 HA ARG A 7 9.026 -12.814 4.272 1.00 0.00 H new ATOM 0 HB2 ARG A 7 11.183 -12.361 2.886 1.00 0.00 H new ATOM 0 HB3 ARG A 7 10.205 -11.236 1.965 1.00 0.00 H new ATOM 0 HG2 ARG A 7 11.382 -9.977 3.670 1.00 0.00 H new ATOM 0 HG3 ARG A 7 9.681 -9.987 4.092 1.00 0.00 H new ATOM 0 HD2 ARG A 7 11.201 -10.399 6.052 1.00 0.00 H new ATOM 0 HD3 ARG A 7 10.025 -11.675 5.803 1.00 0.00 H new ATOM 0 HE ARG A 7 11.744 -13.134 5.005 1.00 0.00 H new ATOM 0 HH11 ARG A 7 13.044 -9.997 6.068 1.00 0.00 H new ATOM 0 HH12 ARG A 7 14.701 -10.607 6.131 1.00 0.00 H new ATOM 0 HH21 ARG A 7 13.827 -13.853 5.122 1.00 0.00 H new ATOM 0 HH22 ARG A 7 15.135 -12.767 5.602 1.00 0.00 H new ATOM 133 N THR A 8 7.060 -11.277 3.789 1.00 0.00 N ATOM 134 CA THR A 8 5.745 -10.658 3.583 1.00 0.00 C ATOM 135 C THR A 8 5.805 -9.176 4.008 1.00 0.00 C ATOM 136 O THR A 8 5.858 -8.865 5.205 1.00 0.00 O ATOM 137 CB THR A 8 4.672 -11.436 4.420 1.00 0.00 C ATOM 138 OG1 THR A 8 4.662 -12.814 4.009 1.00 0.00 O ATOM 139 CG2 THR A 8 3.259 -10.853 4.267 1.00 0.00 C ATOM 0 H THR A 8 7.382 -11.239 4.756 1.00 0.00 H new ATOM 0 HA THR A 8 5.468 -10.705 2.530 1.00 0.00 H new ATOM 0 HB THR A 8 4.949 -11.342 5.470 1.00 0.00 H new ATOM 0 HG1 THR A 8 3.994 -13.306 4.530 1.00 0.00 H new ATOM 0 HG21 THR A 8 2.559 -11.432 4.869 1.00 0.00 H new ATOM 0 HG22 THR A 8 3.255 -9.816 4.603 1.00 0.00 H new ATOM 0 HG23 THR A 8 2.959 -10.896 3.220 1.00 0.00 H new ATOM 147 N GLN A 9 5.839 -8.277 3.017 1.00 0.00 N ATOM 148 CA GLN A 9 5.899 -6.825 3.251 1.00 0.00 C ATOM 149 C GLN A 9 4.537 -6.205 2.968 1.00 0.00 C ATOM 150 O GLN A 9 4.037 -6.303 1.846 1.00 0.00 O ATOM 151 CB GLN A 9 6.965 -6.185 2.333 1.00 0.00 C ATOM 152 CG GLN A 9 7.232 -4.684 2.571 1.00 0.00 C ATOM 153 CD GLN A 9 8.024 -4.380 3.854 1.00 0.00 C ATOM 154 OE1 GLN A 9 7.957 -5.092 4.854 1.00 0.00 O ATOM 155 NE2 GLN A 9 8.794 -3.321 3.829 1.00 0.00 N ATOM 0 H GLN A 9 5.826 -8.533 2.030 1.00 0.00 H new ATOM 0 HA GLN A 9 6.171 -6.642 4.291 1.00 0.00 H new ATOM 0 HB2 GLN A 9 7.902 -6.727 2.460 1.00 0.00 H new ATOM 0 HB3 GLN A 9 6.656 -6.321 1.297 1.00 0.00 H new ATOM 0 HG2 GLN A 9 7.778 -4.284 1.717 1.00 0.00 H new ATOM 0 HG3 GLN A 9 6.278 -4.159 2.614 1.00 0.00 H new ATOM 0 HE21 GLN A 9 8.837 -2.742 2.991 1.00 0.00 H new ATOM 0 HE22 GLN A 9 9.350 -3.076 4.648 1.00 0.00 H new ATOM 164 N VAL A 10 3.938 -5.586 3.984 1.00 0.00 N ATOM 165 CA VAL A 10 2.672 -4.880 3.827 1.00 0.00 C ATOM 166 C VAL A 10 2.934 -3.377 3.639 1.00 0.00 C ATOM 167 O VAL A 10 3.654 -2.755 4.430 1.00 0.00 O ATOM 168 CB VAL A 10 1.688 -5.158 5.025 1.00 0.00 C ATOM 169 CG1 VAL A 10 1.345 -6.663 5.094 1.00 0.00 C ATOM 170 CG2 VAL A 10 2.242 -4.654 6.380 1.00 0.00 C ATOM 0 H VAL A 10 4.315 -5.561 4.932 1.00 0.00 H new ATOM 0 HA VAL A 10 2.176 -5.260 2.934 1.00 0.00 H new ATOM 0 HB VAL A 10 0.776 -4.592 4.834 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.664 -6.843 5.926 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.870 -6.971 4.163 1.00 0.00 H new ATOM 0 HG13 VAL A 10 2.259 -7.238 5.242 1.00 0.00 H new ATOM 0 HG21 VAL A 10 1.524 -4.871 7.170 1.00 0.00 H new ATOM 0 HG22 VAL A 10 3.184 -5.157 6.598 1.00 0.00 H new ATOM 0 HG23 VAL A 10 2.409 -3.578 6.327 1.00 0.00 H new ATOM 180 N VAL A 11 2.391 -2.806 2.552 1.00 0.00 N ATOM 181 CA VAL A 11 2.459 -1.362 2.300 1.00 0.00 C ATOM 182 C VAL A 11 1.220 -0.725 2.923 1.00 0.00 C ATOM 183 O VAL A 11 0.111 -0.837 2.388 1.00 0.00 O ATOM 184 CB VAL A 11 2.553 -1.033 0.761 1.00 0.00 C ATOM 185 CG1 VAL A 11 2.396 0.477 0.480 1.00 0.00 C ATOM 186 CG2 VAL A 11 3.884 -1.551 0.176 1.00 0.00 C ATOM 0 H VAL A 11 1.897 -3.330 1.830 1.00 0.00 H new ATOM 0 HA VAL A 11 3.365 -0.956 2.750 1.00 0.00 H new ATOM 0 HB VAL A 11 1.725 -1.545 0.271 1.00 0.00 H new ATOM 0 HG11 VAL A 11 2.467 0.657 -0.593 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.425 0.815 0.841 1.00 0.00 H new ATOM 0 HG13 VAL A 11 3.185 1.027 0.993 1.00 0.00 H new ATOM 0 HG21 VAL A 11 3.931 -1.315 -0.887 1.00 0.00 H new ATOM 0 HG22 VAL A 11 4.718 -1.074 0.691 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.945 -2.631 0.311 1.00 0.00 H new ATOM 196 N THR A 12 1.438 -0.080 4.066 1.00 0.00 N ATOM 197 CA THR A 12 0.378 0.446 4.909 1.00 0.00 C ATOM 198 C THR A 12 0.150 1.934 4.594 1.00 0.00 C ATOM 199 O THR A 12 0.941 2.795 4.994 1.00 0.00 O ATOM 200 CB THR A 12 0.777 0.252 6.408 1.00 0.00 C ATOM 201 OG1 THR A 12 1.209 -1.104 6.627 1.00 0.00 O ATOM 202 CG2 THR A 12 -0.371 0.565 7.368 1.00 0.00 C ATOM 0 H THR A 12 2.373 0.093 4.435 1.00 0.00 H new ATOM 0 HA THR A 12 -0.552 -0.089 4.716 1.00 0.00 H new ATOM 0 HB THR A 12 1.585 0.954 6.613 1.00 0.00 H new ATOM 0 HG1 THR A 12 1.459 -1.220 7.567 1.00 0.00 H new ATOM 0 HG21 THR A 12 -0.038 0.414 8.395 1.00 0.00 H new ATOM 0 HG22 THR A 12 -0.683 1.601 7.237 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.212 -0.096 7.158 1.00 0.00 H new ATOM 210 N GLN A 13 -0.915 2.208 3.842 1.00 0.00 N ATOM 211 CA GLN A 13 -1.361 3.565 3.513 1.00 0.00 C ATOM 212 C GLN A 13 -2.655 3.855 4.296 1.00 0.00 C ATOM 213 O GLN A 13 -3.680 3.207 4.067 1.00 0.00 O ATOM 214 CB GLN A 13 -1.569 3.664 1.981 1.00 0.00 C ATOM 215 CG GLN A 13 -1.916 5.069 1.455 1.00 0.00 C ATOM 216 CD GLN A 13 -2.053 5.103 -0.071 1.00 0.00 C ATOM 217 OE1 GLN A 13 -1.099 5.382 -0.793 1.00 0.00 O ATOM 218 NE2 GLN A 13 -3.234 4.775 -0.573 1.00 0.00 N ATOM 0 H GLN A 13 -1.504 1.481 3.436 1.00 0.00 H new ATOM 0 HA GLN A 13 -0.619 4.311 3.797 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -0.661 3.322 1.485 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -2.367 2.979 1.694 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -2.849 5.404 1.909 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -1.142 5.771 1.763 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -4.008 4.548 0.051 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -3.369 4.749 -1.584 1.00 0.00 H new ATOM 227 N THR A 14 -2.584 4.791 5.245 1.00 0.00 N ATOM 228 CA THR A 14 -3.710 5.170 6.105 1.00 0.00 C ATOM 229 C THR A 14 -4.464 6.353 5.482 1.00 0.00 C ATOM 230 O THR A 14 -3.955 7.471 5.477 1.00 0.00 O ATOM 231 CB THR A 14 -3.184 5.540 7.533 1.00 0.00 C ATOM 232 OG1 THR A 14 -2.546 4.391 8.120 1.00 0.00 O ATOM 233 CG2 THR A 14 -4.299 6.046 8.466 1.00 0.00 C ATOM 0 H THR A 14 -1.731 5.315 5.441 1.00 0.00 H new ATOM 0 HA THR A 14 -4.398 4.329 6.195 1.00 0.00 H new ATOM 0 HB THR A 14 -2.471 6.356 7.415 1.00 0.00 H new ATOM 0 HG1 THR A 14 -2.215 4.621 9.013 1.00 0.00 H new ATOM 0 HG21 THR A 14 -3.876 6.287 9.441 1.00 0.00 H new ATOM 0 HG22 THR A 14 -4.755 6.939 8.037 1.00 0.00 H new ATOM 0 HG23 THR A 14 -5.057 5.271 8.581 1.00 0.00 H new ATOM 241 N ILE A 15 -5.666 6.093 4.950 1.00 0.00 N ATOM 242 CA ILE A 15 -6.496 7.122 4.296 1.00 0.00 C ATOM 243 C ILE A 15 -7.418 7.785 5.329 1.00 0.00 C ATOM 244 O ILE A 15 -8.115 7.105 6.109 1.00 0.00 O ATOM 245 CB ILE A 15 -7.352 6.581 3.079 1.00 0.00 C ATOM 246 CG1 ILE A 15 -6.453 6.146 1.885 1.00 0.00 C ATOM 247 CG2 ILE A 15 -8.366 7.646 2.581 1.00 0.00 C ATOM 248 CD1 ILE A 15 -5.490 5.006 2.133 1.00 0.00 C ATOM 0 H ILE A 15 -6.092 5.166 4.959 1.00 0.00 H new ATOM 0 HA ILE A 15 -5.802 7.851 3.879 1.00 0.00 H new ATOM 0 HB ILE A 15 -7.893 5.711 3.450 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -7.103 5.867 1.055 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -5.877 7.013 1.561 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -8.937 7.242 1.745 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -9.046 7.908 3.392 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -7.828 8.537 2.256 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -4.925 4.803 1.223 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -4.803 5.278 2.934 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -6.048 4.115 2.420 1.00 0.00 H new ATOM 260 N HIS A 16 -7.399 9.127 5.303 1.00 0.00 N ATOM 261 CA HIS A 16 -8.189 9.984 6.167 1.00 0.00 C ATOM 262 C HIS A 16 -9.275 10.653 5.327 1.00 0.00 C ATOM 263 O HIS A 16 -8.966 11.484 4.470 1.00 0.00 O ATOM 264 CB HIS A 16 -7.289 11.064 6.834 1.00 0.00 C ATOM 265 CG HIS A 16 -6.159 10.531 7.698 1.00 0.00 C ATOM 266 ND1 HIS A 16 -5.946 10.934 9.003 1.00 0.00 N ATOM 267 CD2 HIS A 16 -5.192 9.624 7.441 1.00 0.00 C ATOM 268 CE1 HIS A 16 -4.901 10.302 9.497 1.00 0.00 C ATOM 269 NE2 HIS A 16 -4.431 9.503 8.571 1.00 0.00 N ATOM 0 H HIS A 16 -6.811 9.651 4.655 1.00 0.00 H new ATOM 0 HA HIS A 16 -8.643 9.387 6.958 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -6.860 11.689 6.051 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -7.919 11.709 7.447 1.00 0.00 H new ATOM 0 HD1 HIS A 16 -6.512 11.617 9.507 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -5.046 9.091 6.513 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -4.501 10.422 10.493 1.00 0.00 H new ATOM 278 N TYR A 17 -10.537 10.269 5.539 1.00 0.00 N ATOM 279 CA TYR A 17 -11.669 10.952 4.914 1.00 0.00 C ATOM 280 C TYR A 17 -12.058 12.108 5.827 1.00 0.00 C ATOM 281 O TYR A 17 -12.380 11.887 6.992 1.00 0.00 O ATOM 282 CB TYR A 17 -12.846 9.964 4.689 1.00 0.00 C ATOM 283 CG TYR A 17 -12.538 8.918 3.601 1.00 0.00 C ATOM 284 CD1 TYR A 17 -12.662 9.240 2.256 1.00 0.00 C ATOM 285 CD2 TYR A 17 -12.077 7.643 3.913 1.00 0.00 C ATOM 286 CE1 TYR A 17 -12.336 8.347 1.262 1.00 0.00 C ATOM 287 CE2 TYR A 17 -11.763 6.740 2.911 1.00 0.00 C ATOM 288 CZ TYR A 17 -11.889 7.100 1.595 1.00 0.00 C ATOM 289 OH TYR A 17 -11.553 6.209 0.609 1.00 0.00 O ATOM 0 H TYR A 17 -10.799 9.487 6.140 1.00 0.00 H new ATOM 0 HA TYR A 17 -11.402 11.337 3.930 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -13.072 9.454 5.625 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -13.738 10.524 4.408 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -13.025 10.220 1.983 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -11.963 7.354 4.947 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -12.433 8.630 0.224 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -11.418 5.749 3.168 1.00 0.00 H new ATOM 0 HH TYR A 17 -12.059 6.416 -0.205 1.00 0.00 H new ATOM 299 N ARG A 18 -11.919 13.343 5.321 1.00 0.00 N ATOM 300 CA ARG A 18 -12.240 14.571 6.071 1.00 0.00 C ATOM 301 C ARG A 18 -13.051 15.536 5.200 1.00 0.00 C ATOM 302 O ARG A 18 -13.487 15.185 4.116 1.00 0.00 O ATOM 303 CB ARG A 18 -10.952 15.282 6.561 1.00 0.00 C ATOM 304 CG ARG A 18 -10.076 14.482 7.539 1.00 0.00 C ATOM 305 CD ARG A 18 -9.051 15.383 8.242 1.00 0.00 C ATOM 306 NE ARG A 18 -8.216 16.141 7.292 1.00 0.00 N ATOM 307 CZ ARG A 18 -7.396 17.157 7.622 1.00 0.00 C ATOM 308 NH1 ARG A 18 -7.271 17.557 8.895 1.00 0.00 N ATOM 309 NH2 ARG A 18 -6.698 17.763 6.665 1.00 0.00 N ATOM 0 H ARG A 18 -11.579 13.521 4.376 1.00 0.00 H new ATOM 0 HA ARG A 18 -12.832 14.280 6.939 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -10.349 15.540 5.691 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -11.237 16.218 7.041 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -10.708 13.999 8.284 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -9.556 13.690 7.000 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -9.574 16.080 8.897 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -8.409 14.771 8.876 1.00 0.00 H new ATOM 0 HE ARG A 18 -8.263 15.875 6.308 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -7.801 17.090 9.631 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -6.646 18.328 9.128 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -6.788 17.457 5.696 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -6.073 18.534 6.900 1.00 0.00 H new ATOM 323 N TYR A 19 -13.247 16.764 5.713 1.00 0.00 N ATOM 324 CA TYR A 19 -13.942 17.852 5.014 1.00 0.00 C ATOM 325 C TYR A 19 -13.003 19.054 4.880 1.00 0.00 C ATOM 326 O TYR A 19 -11.949 19.116 5.529 1.00 0.00 O ATOM 327 CB TYR A 19 -15.219 18.260 5.793 1.00 0.00 C ATOM 328 CG TYR A 19 -16.213 17.106 5.999 1.00 0.00 C ATOM 329 CD1 TYR A 19 -17.142 16.764 5.018 1.00 0.00 C ATOM 330 CD2 TYR A 19 -16.199 16.344 7.169 1.00 0.00 C ATOM 331 CE1 TYR A 19 -18.024 15.717 5.200 1.00 0.00 C ATOM 332 CE2 TYR A 19 -17.083 15.299 7.354 1.00 0.00 C ATOM 333 CZ TYR A 19 -17.988 14.985 6.365 1.00 0.00 C ATOM 334 OH TYR A 19 -18.862 13.932 6.538 1.00 0.00 O ATOM 0 H TYR A 19 -12.920 17.029 6.642 1.00 0.00 H new ATOM 0 HA TYR A 19 -14.235 17.510 4.021 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -14.929 18.656 6.766 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -15.719 19.067 5.257 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -17.173 17.329 4.098 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -15.483 16.576 7.944 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -18.741 15.473 4.430 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -17.064 14.730 8.272 1.00 0.00 H new ATOM 0 HH TYR A 19 -18.707 13.518 7.413 1.00 0.00 H new ATOM 344 N GLU A 20 -13.410 20.010 4.042 1.00 0.00 N ATOM 345 CA GLU A 20 -12.659 21.263 3.801 1.00 0.00 C ATOM 346 C GLU A 20 -12.686 22.191 5.029 1.00 0.00 C ATOM 347 O GLU A 20 -11.868 23.107 5.150 1.00 0.00 O ATOM 348 CB GLU A 20 -13.256 21.967 2.567 1.00 0.00 C ATOM 349 CG GLU A 20 -14.754 22.313 2.715 1.00 0.00 C ATOM 350 CD GLU A 20 -15.344 23.134 1.562 1.00 0.00 C ATOM 351 OE1 GLU A 20 -14.591 23.666 0.709 1.00 0.00 O ATOM 352 OE2 GLU A 20 -16.574 23.265 1.516 1.00 0.00 O ATOM 0 H GLU A 20 -14.274 19.945 3.504 1.00 0.00 H new ATOM 0 HA GLU A 20 -11.613 21.018 3.618 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -12.697 22.883 2.377 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -13.124 21.326 1.695 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -15.319 21.385 2.807 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -14.894 22.865 3.644 1.00 0.00 H new ATOM 359 N ASP A 21 -13.644 21.924 5.923 1.00 0.00 N ATOM 360 CA ASP A 21 -13.798 22.612 7.213 1.00 0.00 C ATOM 361 C ASP A 21 -12.668 22.225 8.190 1.00 0.00 C ATOM 362 O ASP A 21 -12.443 22.919 9.184 1.00 0.00 O ATOM 363 CB ASP A 21 -15.173 22.222 7.816 1.00 0.00 C ATOM 364 CG ASP A 21 -16.366 22.616 6.924 1.00 0.00 C ATOM 365 OD1 ASP A 21 -16.584 21.958 5.880 1.00 0.00 O ATOM 366 OD2 ASP A 21 -17.087 23.582 7.251 1.00 0.00 O ATOM 0 H ASP A 21 -14.352 21.206 5.768 1.00 0.00 H new ATOM 0 HA ASP A 21 -13.743 23.689 7.053 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -15.195 21.145 7.985 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -15.283 22.700 8.789 1.00 0.00 H new ATOM 371 N GLY A 22 -11.966 21.107 7.890 1.00 0.00 N ATOM 372 CA GLY A 22 -10.988 20.516 8.809 1.00 0.00 C ATOM 373 C GLY A 22 -11.587 19.360 9.596 1.00 0.00 C ATOM 374 O GLY A 22 -10.855 18.516 10.127 1.00 0.00 O ATOM 0 H GLY A 22 -12.066 20.600 7.011 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -10.124 20.164 8.245 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -10.629 21.279 9.499 1.00 0.00 H new ATOM 378 N ALA A 23 -12.932 19.331 9.649 1.00 0.00 N ATOM 379 CA ALA A 23 -13.717 18.285 10.316 1.00 0.00 C ATOM 380 C ALA A 23 -13.408 16.896 9.729 1.00 0.00 C ATOM 381 O ALA A 23 -13.286 16.758 8.520 1.00 0.00 O ATOM 382 CB ALA A 23 -15.216 18.597 10.180 1.00 0.00 C ATOM 0 H ALA A 23 -13.512 20.051 9.219 1.00 0.00 H new ATOM 0 HA ALA A 23 -13.443 18.270 11.371 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -15.796 17.819 10.676 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -15.431 19.560 10.643 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -15.486 18.633 9.125 1.00 0.00 H new ATOM 388 N VAL A 24 -13.279 15.882 10.594 1.00 0.00 N ATOM 389 CA VAL A 24 -12.980 14.504 10.180 1.00 0.00 C ATOM 390 C VAL A 24 -14.296 13.761 9.884 1.00 0.00 C ATOM 391 O VAL A 24 -15.276 13.926 10.614 1.00 0.00 O ATOM 392 CB VAL A 24 -12.155 13.736 11.287 1.00 0.00 C ATOM 393 CG1 VAL A 24 -11.774 12.306 10.829 1.00 0.00 C ATOM 394 CG2 VAL A 24 -10.899 14.545 11.697 1.00 0.00 C ATOM 0 H VAL A 24 -13.379 15.994 11.603 1.00 0.00 H new ATOM 0 HA VAL A 24 -12.369 14.539 9.278 1.00 0.00 H new ATOM 0 HB VAL A 24 -12.795 13.634 12.163 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -11.208 11.810 11.617 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -12.680 11.737 10.621 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -11.166 12.363 9.926 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -10.346 13.997 12.460 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -10.262 14.695 10.825 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -11.204 15.513 12.095 1.00 0.00 H new ATOM 404 N ALA A 25 -14.312 12.983 8.794 1.00 0.00 N ATOM 405 CA ALA A 25 -15.424 12.080 8.468 1.00 0.00 C ATOM 406 C ALA A 25 -15.147 10.705 9.101 1.00 0.00 C ATOM 407 O ALA A 25 -15.892 10.265 9.974 1.00 0.00 O ATOM 408 CB ALA A 25 -15.600 11.994 6.939 1.00 0.00 C ATOM 0 H ALA A 25 -13.553 12.962 8.112 1.00 0.00 H new ATOM 0 HA ALA A 25 -16.360 12.461 8.876 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -16.426 11.323 6.705 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -15.814 12.986 6.541 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -14.684 11.613 6.488 1.00 0.00 H new ATOM 414 N HIS A 26 -14.023 10.069 8.697 1.00 0.00 N ATOM 415 CA HIS A 26 -13.515 8.805 9.293 1.00 0.00 C ATOM 416 C HIS A 26 -12.127 8.487 8.686 1.00 0.00 C ATOM 417 O HIS A 26 -12.018 8.231 7.478 1.00 0.00 O ATOM 418 CB HIS A 26 -14.514 7.602 9.095 1.00 0.00 C ATOM 419 CG HIS A 26 -15.010 6.974 10.382 1.00 0.00 C ATOM 420 ND1 HIS A 26 -14.978 5.617 10.634 1.00 0.00 N ATOM 421 CD2 HIS A 26 -15.575 7.528 11.482 1.00 0.00 C ATOM 422 CE1 HIS A 26 -15.507 5.368 11.807 1.00 0.00 C ATOM 423 NE2 HIS A 26 -15.874 6.508 12.344 1.00 0.00 N ATOM 0 H HIS A 26 -13.435 10.420 7.941 1.00 0.00 H new ATOM 0 HA HIS A 26 -13.423 8.944 10.370 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -15.373 7.951 8.522 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -14.023 6.834 8.497 1.00 0.00 H new ATOM 0 HD1 HIS A 26 -14.599 4.913 10.001 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -15.756 8.580 11.648 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -15.621 4.392 12.255 1.00 0.00 H new ATOM 432 N ASP A 27 -11.078 8.504 9.530 1.00 0.00 N ATOM 433 CA ASP A 27 -9.672 8.363 9.093 1.00 0.00 C ATOM 434 C ASP A 27 -9.105 6.954 9.347 1.00 0.00 C ATOM 435 O ASP A 27 -7.883 6.758 9.430 1.00 0.00 O ATOM 436 CB ASP A 27 -8.816 9.447 9.804 1.00 0.00 C ATOM 437 CG ASP A 27 -8.717 9.291 11.330 1.00 0.00 C ATOM 438 OD1 ASP A 27 -9.676 9.674 12.040 1.00 0.00 O ATOM 439 OD2 ASP A 27 -7.678 8.803 11.830 1.00 0.00 O ATOM 0 H ASP A 27 -11.180 8.616 10.539 1.00 0.00 H new ATOM 0 HA ASP A 27 -9.635 8.506 8.013 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -7.810 9.428 9.385 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -9.237 10.427 9.580 1.00 0.00 H new ATOM 444 N ASP A 28 -9.996 5.969 9.381 1.00 0.00 N ATOM 445 CA ASP A 28 -9.666 4.580 9.752 1.00 0.00 C ATOM 446 C ASP A 28 -9.458 3.694 8.515 1.00 0.00 C ATOM 447 O ASP A 28 -9.361 2.462 8.642 1.00 0.00 O ATOM 448 CB ASP A 28 -10.814 4.013 10.637 1.00 0.00 C ATOM 449 CG ASP A 28 -12.159 3.828 9.888 1.00 0.00 C ATOM 450 OD1 ASP A 28 -12.633 4.785 9.245 1.00 0.00 O ATOM 451 OD2 ASP A 28 -12.757 2.731 9.953 1.00 0.00 O ATOM 0 H ASP A 28 -10.980 6.104 9.151 1.00 0.00 H new ATOM 0 HA ASP A 28 -8.728 4.580 10.307 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -10.503 3.051 11.045 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -10.971 4.682 11.483 1.00 0.00 H new ATOM 456 N HIS A 29 -9.374 4.303 7.309 1.00 0.00 N ATOM 457 CA HIS A 29 -9.346 3.527 6.053 1.00 0.00 C ATOM 458 C HIS A 29 -7.914 3.182 5.654 1.00 0.00 C ATOM 459 O HIS A 29 -7.341 3.742 4.719 1.00 0.00 O ATOM 460 CB HIS A 29 -10.114 4.265 4.943 1.00 0.00 C ATOM 461 CG HIS A 29 -11.608 4.171 5.106 1.00 0.00 C ATOM 462 ND1 HIS A 29 -12.404 3.401 4.286 1.00 0.00 N ATOM 463 CD2 HIS A 29 -12.448 4.749 5.998 1.00 0.00 C ATOM 464 CE1 HIS A 29 -13.655 3.508 4.665 1.00 0.00 C ATOM 465 NE2 HIS A 29 -13.711 4.320 5.696 1.00 0.00 N ATOM 0 H HIS A 29 -9.325 5.314 7.182 1.00 0.00 H new ATOM 0 HA HIS A 29 -9.858 2.578 6.214 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -9.819 5.314 4.939 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -9.832 3.851 3.975 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -12.172 5.422 6.797 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -14.498 3.012 4.206 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -14.561 4.588 6.192 1.00 0.00 H new ATOM 474 N VAL A 30 -7.345 2.240 6.404 1.00 0.00 N ATOM 475 CA VAL A 30 -5.972 1.793 6.248 1.00 0.00 C ATOM 476 C VAL A 30 -5.950 0.569 5.324 1.00 0.00 C ATOM 477 O VAL A 30 -6.580 -0.450 5.625 1.00 0.00 O ATOM 478 CB VAL A 30 -5.354 1.426 7.645 1.00 0.00 C ATOM 479 CG1 VAL A 30 -3.854 1.117 7.525 1.00 0.00 C ATOM 480 CG2 VAL A 30 -5.617 2.542 8.680 1.00 0.00 C ATOM 0 H VAL A 30 -7.842 1.758 7.153 1.00 0.00 H new ATOM 0 HA VAL A 30 -5.376 2.595 5.811 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.848 0.522 8.001 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -3.454 0.867 8.508 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.709 0.274 6.849 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.333 1.990 7.133 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.178 2.261 9.637 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.167 3.473 8.334 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -6.691 2.681 8.800 1.00 0.00 H new ATOM 490 N VAL A 31 -5.256 0.691 4.192 1.00 0.00 N ATOM 491 CA VAL A 31 -5.027 -0.419 3.260 1.00 0.00 C ATOM 492 C VAL A 31 -3.566 -0.883 3.394 1.00 0.00 C ATOM 493 O VAL A 31 -2.645 -0.065 3.414 1.00 0.00 O ATOM 494 CB VAL A 31 -5.366 -0.006 1.780 1.00 0.00 C ATOM 495 CG1 VAL A 31 -4.588 1.255 1.341 1.00 0.00 C ATOM 496 CG2 VAL A 31 -5.149 -1.184 0.792 1.00 0.00 C ATOM 0 H VAL A 31 -4.833 1.569 3.892 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.692 -1.245 3.511 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.426 0.247 1.755 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.851 1.506 0.313 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.846 2.088 1.995 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -3.517 1.062 1.404 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.393 -0.860 -0.220 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.107 -1.503 0.829 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.794 -2.017 1.072 1.00 0.00 H new ATOM 506 N SER A 32 -3.379 -2.199 3.536 1.00 0.00 N ATOM 507 CA SER A 32 -2.059 -2.838 3.604 1.00 0.00 C ATOM 508 C SER A 32 -1.966 -3.879 2.477 1.00 0.00 C ATOM 509 O SER A 32 -2.768 -4.817 2.434 1.00 0.00 O ATOM 510 CB SER A 32 -1.844 -3.477 5.001 1.00 0.00 C ATOM 511 OG SER A 32 -2.873 -4.407 5.329 1.00 0.00 O ATOM 0 H SER A 32 -4.152 -2.861 3.608 1.00 0.00 H new ATOM 0 HA SER A 32 -1.269 -2.100 3.467 1.00 0.00 H new ATOM 0 HB2 SER A 32 -0.879 -3.982 5.023 1.00 0.00 H new ATOM 0 HB3 SER A 32 -1.811 -2.692 5.757 1.00 0.00 H new ATOM 0 HG SER A 32 -3.153 -4.884 4.520 1.00 0.00 H new ATOM 517 N LEU A 33 -1.012 -3.693 1.545 1.00 0.00 N ATOM 518 CA LEU A 33 -0.838 -4.600 0.394 1.00 0.00 C ATOM 519 C LEU A 33 0.293 -5.587 0.679 1.00 0.00 C ATOM 520 O LEU A 33 1.424 -5.181 0.927 1.00 0.00 O ATOM 521 CB LEU A 33 -0.545 -3.801 -0.905 1.00 0.00 C ATOM 522 CG LEU A 33 -1.715 -2.921 -1.455 1.00 0.00 C ATOM 523 CD1 LEU A 33 -1.338 -2.328 -2.826 1.00 0.00 C ATOM 524 CD2 LEU A 33 -3.040 -3.712 -1.546 1.00 0.00 C ATOM 0 H LEU A 33 -0.347 -2.920 1.567 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.766 -5.153 0.245 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.313 -3.154 -0.723 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.253 -4.507 -1.683 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.875 -2.106 -0.749 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.161 -1.718 -3.197 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.446 -1.710 -2.722 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -1.139 -3.136 -3.530 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -3.826 -3.063 -1.933 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.911 -4.563 -2.215 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.319 -4.069 -0.555 1.00 0.00 H new ATOM 536 N ILE A 34 -0.031 -6.880 0.609 1.00 0.00 N ATOM 537 CA ILE A 34 0.886 -7.971 0.921 1.00 0.00 C ATOM 538 C ILE A 34 1.776 -8.277 -0.305 1.00 0.00 C ATOM 539 O ILE A 34 1.278 -8.478 -1.419 1.00 0.00 O ATOM 540 CB ILE A 34 0.091 -9.264 1.384 1.00 0.00 C ATOM 541 CG1 ILE A 34 -0.534 -9.075 2.818 1.00 0.00 C ATOM 542 CG2 ILE A 34 0.977 -10.534 1.330 1.00 0.00 C ATOM 543 CD1 ILE A 34 -1.715 -8.106 2.911 1.00 0.00 C ATOM 0 H ILE A 34 -0.957 -7.201 0.328 1.00 0.00 H new ATOM 0 HA ILE A 34 1.526 -7.665 1.748 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.727 -9.403 0.678 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.859 -10.049 3.183 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.250 -8.728 3.492 1.00 0.00 H new ATOM 0 HG21 ILE A 34 0.396 -11.397 1.655 1.00 0.00 H new ATOM 0 HG22 ILE A 34 1.323 -10.693 0.309 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.836 -10.407 1.989 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.063 -8.055 3.943 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.399 -7.115 2.585 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.525 -8.457 2.271 1.00 0.00 H new ATOM 555 N PHE A 35 3.099 -8.231 -0.084 1.00 0.00 N ATOM 556 CA PHE A 35 4.114 -8.635 -1.065 1.00 0.00 C ATOM 557 C PHE A 35 4.875 -9.857 -0.527 1.00 0.00 C ATOM 558 O PHE A 35 5.727 -9.732 0.356 1.00 0.00 O ATOM 559 CB PHE A 35 5.083 -7.456 -1.347 1.00 0.00 C ATOM 560 CG PHE A 35 4.440 -6.256 -2.042 1.00 0.00 C ATOM 561 CD1 PHE A 35 3.734 -5.300 -1.314 1.00 0.00 C ATOM 562 CD2 PHE A 35 4.549 -6.087 -3.417 1.00 0.00 C ATOM 563 CE1 PHE A 35 3.157 -4.217 -1.943 1.00 0.00 C ATOM 564 CE2 PHE A 35 3.970 -5.001 -4.045 1.00 0.00 C ATOM 565 CZ PHE A 35 3.274 -4.066 -3.306 1.00 0.00 C ATOM 0 H PHE A 35 3.498 -7.906 0.797 1.00 0.00 H new ATOM 0 HA PHE A 35 3.633 -8.904 -2.005 1.00 0.00 H new ATOM 0 HB2 PHE A 35 5.515 -7.124 -0.403 1.00 0.00 H new ATOM 0 HB3 PHE A 35 5.906 -7.818 -1.964 1.00 0.00 H new ATOM 0 HD1 PHE A 35 3.638 -5.409 -0.244 1.00 0.00 H new ATOM 0 HD2 PHE A 35 5.093 -6.814 -4.002 1.00 0.00 H new ATOM 0 HE1 PHE A 35 2.612 -3.486 -1.365 1.00 0.00 H new ATOM 0 HE2 PHE A 35 4.062 -4.884 -5.115 1.00 0.00 H new ATOM 0 HZ PHE A 35 2.822 -3.217 -3.797 1.00 0.00 H new ATOM 575 N THR A 36 4.519 -11.039 -1.043 1.00 0.00 N ATOM 576 CA THR A 36 5.186 -12.304 -0.709 1.00 0.00 C ATOM 577 C THR A 36 6.236 -12.592 -1.781 1.00 0.00 C ATOM 578 O THR A 36 5.895 -12.854 -2.939 1.00 0.00 O ATOM 579 CB THR A 36 4.161 -13.484 -0.627 1.00 0.00 C ATOM 580 OG1 THR A 36 3.032 -13.084 0.165 1.00 0.00 O ATOM 581 CG2 THR A 36 4.779 -14.757 -0.009 1.00 0.00 C ATOM 0 H THR A 36 3.754 -11.146 -1.709 1.00 0.00 H new ATOM 0 HA THR A 36 5.657 -12.214 0.270 1.00 0.00 H new ATOM 0 HB THR A 36 3.856 -13.720 -1.647 1.00 0.00 H new ATOM 0 HG1 THR A 36 2.389 -13.822 0.215 1.00 0.00 H new ATOM 0 HG21 THR A 36 4.028 -15.546 0.026 1.00 0.00 H new ATOM 0 HG22 THR A 36 5.622 -15.085 -0.618 1.00 0.00 H new ATOM 0 HG23 THR A 36 5.124 -14.540 1.002 1.00 0.00 H new ATOM 589 N GLN A 37 7.509 -12.439 -1.411 1.00 0.00 N ATOM 590 CA GLN A 37 8.631 -12.887 -2.238 1.00 0.00 C ATOM 591 C GLN A 37 9.038 -14.279 -1.790 1.00 0.00 C ATOM 592 O GLN A 37 9.301 -14.485 -0.611 1.00 0.00 O ATOM 593 CB GLN A 37 9.831 -11.922 -2.124 1.00 0.00 C ATOM 594 CG GLN A 37 9.504 -10.484 -2.527 1.00 0.00 C ATOM 595 CD GLN A 37 10.726 -9.588 -2.723 1.00 0.00 C ATOM 596 OE1 GLN A 37 10.690 -8.687 -3.556 1.00 0.00 O ATOM 597 NE2 GLN A 37 11.790 -9.785 -1.944 1.00 0.00 N ATOM 0 H GLN A 37 7.790 -12.003 -0.533 1.00 0.00 H new ATOM 0 HA GLN A 37 8.319 -12.903 -3.282 1.00 0.00 H new ATOM 0 HB2 GLN A 37 10.194 -11.928 -1.096 1.00 0.00 H new ATOM 0 HB3 GLN A 37 10.643 -12.290 -2.751 1.00 0.00 H new ATOM 0 HG2 GLN A 37 8.929 -10.501 -3.453 1.00 0.00 H new ATOM 0 HG3 GLN A 37 8.864 -10.042 -1.763 1.00 0.00 H new ATOM 0 HE21 GLN A 37 11.789 -10.543 -1.261 1.00 0.00 H new ATOM 0 HE22 GLN A 37 12.605 -9.178 -2.031 1.00 0.00 H new ATOM 606 N SER A 38 9.038 -15.231 -2.728 1.00 0.00 N ATOM 607 CA SER A 38 9.544 -16.570 -2.482 1.00 0.00 C ATOM 608 C SER A 38 11.047 -16.615 -2.775 1.00 0.00 C ATOM 609 O SER A 38 11.533 -16.005 -3.743 1.00 0.00 O ATOM 610 CB SER A 38 8.770 -17.613 -3.321 1.00 0.00 C ATOM 611 OG SER A 38 8.794 -17.314 -4.710 1.00 0.00 O ATOM 0 H SER A 38 8.686 -15.088 -3.675 1.00 0.00 H new ATOM 0 HA SER A 38 9.391 -16.823 -1.433 1.00 0.00 H new ATOM 0 HB2 SER A 38 9.201 -18.600 -3.157 1.00 0.00 H new ATOM 0 HB3 SER A 38 7.736 -17.656 -2.979 1.00 0.00 H new ATOM 0 HG SER A 38 8.294 -17.999 -5.201 1.00 0.00 H new ATOM 617 N GLY A 39 11.762 -17.311 -1.903 1.00 0.00 N ATOM 618 CA GLY A 39 13.196 -17.543 -2.053 1.00 0.00 C ATOM 619 C GLY A 39 13.600 -18.868 -1.447 1.00 0.00 C ATOM 620 O GLY A 39 12.742 -19.651 -1.010 1.00 0.00 O ATOM 0 H GLY A 39 11.363 -17.734 -1.065 1.00 0.00 H new ATOM 0 HA2 GLY A 39 13.461 -17.527 -3.110 1.00 0.00 H new ATOM 0 HA3 GLY A 39 13.750 -16.736 -1.573 1.00 0.00 H new ATOM 624 N LYS A 40 14.909 -19.118 -1.365 1.00 0.00 N ATOM 625 CA LYS A 40 15.447 -20.380 -0.817 1.00 0.00 C ATOM 626 C LYS A 40 16.630 -20.085 0.109 1.00 0.00 C ATOM 627 O LYS A 40 17.401 -19.152 -0.141 1.00 0.00 O ATOM 628 CB LYS A 40 15.794 -21.367 -1.972 1.00 0.00 C ATOM 629 CG LYS A 40 16.835 -20.892 -3.017 1.00 0.00 C ATOM 630 CD LYS A 40 18.296 -21.162 -2.605 1.00 0.00 C ATOM 631 CE LYS A 40 19.305 -20.728 -3.672 1.00 0.00 C ATOM 632 NZ LYS A 40 20.710 -20.982 -3.252 1.00 0.00 N ATOM 0 H LYS A 40 15.627 -18.461 -1.672 1.00 0.00 H new ATOM 0 HA LYS A 40 14.690 -20.876 -0.209 1.00 0.00 H new ATOM 0 HB2 LYS A 40 16.159 -22.293 -1.528 1.00 0.00 H new ATOM 0 HB3 LYS A 40 14.871 -21.609 -2.499 1.00 0.00 H new ATOM 0 HG2 LYS A 40 16.637 -21.390 -3.966 1.00 0.00 H new ATOM 0 HG3 LYS A 40 16.706 -19.823 -3.185 1.00 0.00 H new ATOM 0 HD2 LYS A 40 18.509 -20.635 -1.675 1.00 0.00 H new ATOM 0 HD3 LYS A 40 18.421 -22.226 -2.405 1.00 0.00 H new ATOM 0 HE2 LYS A 40 19.103 -21.263 -4.600 1.00 0.00 H new ATOM 0 HE3 LYS A 40 19.176 -19.666 -3.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 21.319 -20.210 -3.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 20.759 -21.031 -2.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 21.036 -21.883 -3.657 1.00 0.00 H new ATOM 646 N ARG A 41 16.757 -20.867 1.194 1.00 0.00 N ATOM 647 CA ARG A 41 17.769 -20.621 2.237 1.00 0.00 C ATOM 648 C ARG A 41 18.786 -21.772 2.280 1.00 0.00 C ATOM 649 O ARG A 41 18.408 -22.928 2.530 1.00 0.00 O ATOM 650 CB ARG A 41 17.069 -20.452 3.610 1.00 0.00 C ATOM 651 CG ARG A 41 17.985 -20.001 4.772 1.00 0.00 C ATOM 652 CD ARG A 41 17.241 -19.908 6.118 1.00 0.00 C ATOM 653 NE ARG A 41 16.149 -18.917 6.117 1.00 0.00 N ATOM 654 CZ ARG A 41 15.309 -18.691 7.146 1.00 0.00 C ATOM 655 NH1 ARG A 41 15.404 -19.388 8.275 1.00 0.00 N ATOM 656 NH2 ARG A 41 14.375 -17.756 7.035 1.00 0.00 N ATOM 0 H ARG A 41 16.168 -21.680 1.373 1.00 0.00 H new ATOM 0 HA ARG A 41 18.310 -19.704 2.003 1.00 0.00 H new ATOM 0 HB2 ARG A 41 16.264 -19.725 3.501 1.00 0.00 H new ATOM 0 HB3 ARG A 41 16.607 -21.401 3.882 1.00 0.00 H new ATOM 0 HG2 ARG A 41 18.814 -20.702 4.868 1.00 0.00 H new ATOM 0 HG3 ARG A 41 18.416 -19.029 4.532 1.00 0.00 H new ATOM 0 HD2 ARG A 41 16.832 -20.887 6.367 1.00 0.00 H new ATOM 0 HD3 ARG A 41 17.954 -19.651 6.902 1.00 0.00 H new ATOM 0 HE ARG A 41 16.020 -18.360 5.272 1.00 0.00 H new ATOM 0 HH11 ARG A 41 16.121 -20.107 8.372 1.00 0.00 H new ATOM 0 HH12 ARG A 41 14.760 -19.204 9.044 1.00 0.00 H new ATOM 0 HH21 ARG A 41 14.296 -17.214 6.175 1.00 0.00 H new ATOM 0 HH22 ARG A 41 13.736 -17.579 7.810 1.00 0.00 H new ATOM 670 N ASP A 42 20.070 -21.440 2.019 1.00 0.00 N ATOM 671 CA ASP A 42 21.196 -22.374 2.145 1.00 0.00 C ATOM 672 C ASP A 42 21.523 -22.549 3.624 1.00 0.00 C ATOM 673 O ASP A 42 22.086 -21.650 4.234 1.00 0.00 O ATOM 674 CB ASP A 42 22.450 -21.848 1.373 1.00 0.00 C ATOM 675 CG ASP A 42 22.441 -22.190 -0.124 1.00 0.00 C ATOM 676 OD1 ASP A 42 22.700 -23.363 -0.472 1.00 0.00 O ATOM 677 OD2 ASP A 42 22.175 -21.303 -0.956 1.00 0.00 O ATOM 0 H ASP A 42 20.349 -20.508 1.713 1.00 0.00 H new ATOM 0 HA ASP A 42 20.917 -23.333 1.708 1.00 0.00 H new ATOM 0 HB2 ASP A 42 22.510 -20.766 1.489 1.00 0.00 H new ATOM 0 HB3 ASP A 42 23.348 -22.267 1.827 1.00 0.00 H new ATOM 682 N LEU A 43 21.177 -23.714 4.173 1.00 0.00 N ATOM 683 CA LEU A 43 21.321 -24.023 5.609 1.00 0.00 C ATOM 684 C LEU A 43 22.762 -24.416 5.992 1.00 0.00 C ATOM 685 O LEU A 43 23.047 -24.681 7.160 1.00 0.00 O ATOM 686 CB LEU A 43 20.291 -25.113 6.000 1.00 0.00 C ATOM 687 CG LEU A 43 18.791 -24.700 5.822 1.00 0.00 C ATOM 688 CD1 LEU A 43 17.827 -25.818 6.270 1.00 0.00 C ATOM 689 CD2 LEU A 43 18.497 -23.382 6.564 1.00 0.00 C ATOM 0 H LEU A 43 20.783 -24.484 3.632 1.00 0.00 H new ATOM 0 HA LEU A 43 21.113 -23.118 6.180 1.00 0.00 H new ATOM 0 HB2 LEU A 43 20.481 -26.003 5.400 1.00 0.00 H new ATOM 0 HB3 LEU A 43 20.455 -25.390 7.041 1.00 0.00 H new ATOM 0 HG LEU A 43 18.620 -24.540 4.757 1.00 0.00 H new ATOM 0 HD11 LEU A 43 16.797 -25.489 6.129 1.00 0.00 H new ATOM 0 HD12 LEU A 43 18.006 -26.713 5.675 1.00 0.00 H new ATOM 0 HD13 LEU A 43 17.995 -26.043 7.323 1.00 0.00 H new ATOM 0 HD21 LEU A 43 17.450 -23.113 6.427 1.00 0.00 H new ATOM 0 HD22 LEU A 43 18.703 -23.509 7.627 1.00 0.00 H new ATOM 0 HD23 LEU A 43 19.130 -22.590 6.164 1.00 0.00 H new ATOM 701 N THR A 44 23.657 -24.450 4.993 1.00 0.00 N ATOM 702 CA THR A 44 25.094 -24.691 5.200 1.00 0.00 C ATOM 703 C THR A 44 25.754 -23.439 5.824 1.00 0.00 C ATOM 704 O THR A 44 26.555 -23.546 6.758 1.00 0.00 O ATOM 705 CB THR A 44 25.801 -25.115 3.864 1.00 0.00 C ATOM 706 OG1 THR A 44 27.207 -25.357 4.071 1.00 0.00 O ATOM 707 CG2 THR A 44 25.612 -24.073 2.747 1.00 0.00 C ATOM 0 H THR A 44 23.404 -24.311 4.015 1.00 0.00 H new ATOM 0 HA THR A 44 25.211 -25.522 5.895 1.00 0.00 H new ATOM 0 HB THR A 44 25.323 -26.041 3.544 1.00 0.00 H new ATOM 0 HG1 THR A 44 27.622 -25.621 3.223 1.00 0.00 H new ATOM 0 HG21 THR A 44 26.119 -24.412 1.844 1.00 0.00 H new ATOM 0 HG22 THR A 44 24.549 -23.949 2.541 1.00 0.00 H new ATOM 0 HG23 THR A 44 26.034 -23.119 3.064 1.00 0.00 H new ATOM 715 N ASN A 45 25.384 -22.255 5.299 1.00 0.00 N ATOM 716 CA ASN A 45 25.815 -20.944 5.833 1.00 0.00 C ATOM 717 C ASN A 45 24.689 -20.331 6.691 1.00 0.00 C ATOM 718 O ASN A 45 24.939 -19.505 7.579 1.00 0.00 O ATOM 719 CB ASN A 45 26.180 -19.998 4.650 1.00 0.00 C ATOM 720 CG ASN A 45 26.853 -18.685 5.080 1.00 0.00 C ATOM 721 OD1 ASN A 45 28.080 -18.595 5.166 1.00 0.00 O ATOM 722 ND2 ASN A 45 26.062 -17.661 5.356 1.00 0.00 N ATOM 0 H ASN A 45 24.773 -22.179 4.486 1.00 0.00 H new ATOM 0 HA ASN A 45 26.694 -21.076 6.463 1.00 0.00 H new ATOM 0 HB2 ASN A 45 26.845 -20.528 3.967 1.00 0.00 H new ATOM 0 HB3 ASN A 45 25.273 -19.763 4.094 1.00 0.00 H new ATOM 0 HD21 ASN A 45 26.464 -16.770 5.648 1.00 0.00 H new ATOM 0 HD22 ASN A 45 25.050 -17.762 5.277 1.00 0.00 H new ATOM 729 N GLY A 46 23.449 -20.762 6.407 1.00 0.00 N ATOM 730 CA GLY A 46 22.250 -20.201 7.024 1.00 0.00 C ATOM 731 C GLY A 46 21.851 -18.874 6.381 1.00 0.00 C ATOM 732 O GLY A 46 21.324 -17.983 7.048 1.00 0.00 O ATOM 0 H GLY A 46 23.256 -21.510 5.741 1.00 0.00 H new ATOM 0 HA2 GLY A 46 21.428 -20.911 6.933 1.00 0.00 H new ATOM 0 HA3 GLY A 46 22.425 -20.051 8.089 1.00 0.00 H new ATOM 736 N LYS A 47 22.093 -18.765 5.062 1.00 0.00 N ATOM 737 CA LYS A 47 21.920 -17.515 4.294 1.00 0.00 C ATOM 738 C LYS A 47 20.642 -17.568 3.450 1.00 0.00 C ATOM 739 O LYS A 47 20.301 -18.618 2.897 1.00 0.00 O ATOM 740 CB LYS A 47 23.155 -17.289 3.384 1.00 0.00 C ATOM 741 CG LYS A 47 23.454 -18.444 2.406 1.00 0.00 C ATOM 742 CD LYS A 47 24.649 -18.156 1.476 1.00 0.00 C ATOM 743 CE LYS A 47 24.409 -16.962 0.542 1.00 0.00 C ATOM 744 NZ LYS A 47 25.551 -16.751 -0.389 1.00 0.00 N ATOM 0 H LYS A 47 22.417 -19.547 4.493 1.00 0.00 H new ATOM 0 HA LYS A 47 21.830 -16.683 4.993 1.00 0.00 H new ATOM 0 HB2 LYS A 47 23.004 -16.375 2.810 1.00 0.00 H new ATOM 0 HB3 LYS A 47 24.030 -17.129 4.014 1.00 0.00 H new ATOM 0 HG2 LYS A 47 23.655 -19.351 2.976 1.00 0.00 H new ATOM 0 HG3 LYS A 47 22.569 -18.638 1.800 1.00 0.00 H new ATOM 0 HD2 LYS A 47 25.535 -17.964 2.081 1.00 0.00 H new ATOM 0 HD3 LYS A 47 24.858 -19.042 0.877 1.00 0.00 H new ATOM 0 HE2 LYS A 47 23.497 -17.127 -0.032 1.00 0.00 H new ATOM 0 HE3 LYS A 47 24.253 -16.061 1.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 25.352 -15.936 -1.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 26.416 -16.568 0.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 25.684 -17.601 -0.973 1.00 0.00 H new ATOM 758 N GLU A 48 19.934 -16.428 3.349 1.00 0.00 N ATOM 759 CA GLU A 48 18.698 -16.315 2.568 1.00 0.00 C ATOM 760 C GLU A 48 18.981 -15.717 1.192 1.00 0.00 C ATOM 761 O GLU A 48 19.543 -14.625 1.086 1.00 0.00 O ATOM 762 CB GLU A 48 17.679 -15.459 3.348 1.00 0.00 C ATOM 763 CG GLU A 48 17.275 -16.086 4.685 1.00 0.00 C ATOM 764 CD GLU A 48 16.130 -15.357 5.387 1.00 0.00 C ATOM 765 OE1 GLU A 48 14.954 -15.695 5.132 1.00 0.00 O ATOM 766 OE2 GLU A 48 16.397 -14.441 6.191 1.00 0.00 O ATOM 0 H GLU A 48 20.207 -15.560 3.809 1.00 0.00 H new ATOM 0 HA GLU A 48 18.278 -17.309 2.411 1.00 0.00 H new ATOM 0 HB2 GLU A 48 18.104 -14.472 3.529 1.00 0.00 H new ATOM 0 HB3 GLU A 48 16.789 -15.315 2.736 1.00 0.00 H new ATOM 0 HG2 GLU A 48 16.984 -17.123 4.516 1.00 0.00 H new ATOM 0 HG3 GLU A 48 18.142 -16.102 5.345 1.00 0.00 H new ATOM 773 N ILE A 49 18.603 -16.464 0.148 1.00 0.00 N ATOM 774 CA ILE A 49 18.765 -16.056 -1.253 1.00 0.00 C ATOM 775 C ILE A 49 17.402 -15.604 -1.778 1.00 0.00 C ATOM 776 O ILE A 49 16.495 -16.424 -1.988 1.00 0.00 O ATOM 777 CB ILE A 49 19.343 -17.204 -2.186 1.00 0.00 C ATOM 778 CG1 ILE A 49 20.768 -17.677 -1.723 1.00 0.00 C ATOM 779 CG2 ILE A 49 19.381 -16.753 -3.676 1.00 0.00 C ATOM 780 CD1 ILE A 49 20.813 -18.459 -0.416 1.00 0.00 C ATOM 0 H ILE A 49 18.170 -17.381 0.254 1.00 0.00 H new ATOM 0 HA ILE A 49 19.496 -15.248 -1.280 1.00 0.00 H new ATOM 0 HB ILE A 49 18.666 -18.053 -2.097 1.00 0.00 H new ATOM 0 HG12 ILE A 49 21.199 -18.296 -2.510 1.00 0.00 H new ATOM 0 HG13 ILE A 49 21.407 -16.800 -1.622 1.00 0.00 H new ATOM 0 HG21 ILE A 49 19.781 -17.560 -4.290 1.00 0.00 H new ATOM 0 HG22 ILE A 49 18.372 -16.510 -4.009 1.00 0.00 H new ATOM 0 HG23 ILE A 49 20.017 -15.873 -3.774 1.00 0.00 H new ATOM 0 HD11 ILE A 49 21.844 -18.735 -0.192 1.00 0.00 H new ATOM 0 HD12 ILE A 49 20.419 -17.841 0.391 1.00 0.00 H new ATOM 0 HD13 ILE A 49 20.208 -19.361 -0.511 1.00 0.00 H new ATOM 792 N TRP A 50 17.254 -14.288 -1.912 1.00 0.00 N ATOM 793 CA TRP A 50 16.110 -13.660 -2.565 1.00 0.00 C ATOM 794 C TRP A 50 16.551 -13.224 -3.957 1.00 0.00 C ATOM 795 O TRP A 50 17.660 -12.702 -4.115 1.00 0.00 O ATOM 796 CB TRP A 50 15.642 -12.439 -1.732 1.00 0.00 C ATOM 797 CG TRP A 50 15.377 -12.784 -0.280 1.00 0.00 C ATOM 798 CD1 TRP A 50 16.168 -12.497 0.800 1.00 0.00 C ATOM 799 CD2 TRP A 50 14.262 -13.517 0.230 1.00 0.00 C ATOM 800 NE1 TRP A 50 15.598 -12.995 1.944 1.00 0.00 N ATOM 801 CE2 TRP A 50 14.426 -13.622 1.620 1.00 0.00 C ATOM 802 CE3 TRP A 50 13.134 -14.083 -0.364 1.00 0.00 C ATOM 803 CZ2 TRP A 50 13.494 -14.267 2.425 1.00 0.00 C ATOM 804 CZ3 TRP A 50 12.224 -14.731 0.431 1.00 0.00 C ATOM 805 CH2 TRP A 50 12.401 -14.818 1.812 1.00 0.00 C ATOM 0 H TRP A 50 17.939 -13.617 -1.563 1.00 0.00 H new ATOM 0 HA TRP A 50 15.275 -14.356 -2.642 1.00 0.00 H new ATOM 0 HB2 TRP A 50 16.401 -11.658 -1.782 1.00 0.00 H new ATOM 0 HB3 TRP A 50 14.734 -12.030 -2.175 1.00 0.00 H new ATOM 0 HD1 TRP A 50 17.103 -11.958 0.758 1.00 0.00 H new ATOM 0 HE1 TRP A 50 15.985 -12.911 2.884 1.00 0.00 H new ATOM 0 HE3 TRP A 50 12.980 -14.012 -1.431 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 13.627 -14.331 3.495 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 11.353 -15.183 -0.021 1.00 0.00 H new ATOM 0 HH2 TRP A 50 11.661 -15.330 2.409 1.00 0.00 H new ATOM 816 N ASP A 51 15.704 -13.453 -4.954 1.00 0.00 N ATOM 817 CA ASP A 51 15.967 -13.016 -6.328 1.00 0.00 C ATOM 818 C ASP A 51 15.889 -11.479 -6.400 1.00 0.00 C ATOM 819 O ASP A 51 14.855 -10.912 -6.089 1.00 0.00 O ATOM 820 CB ASP A 51 14.944 -13.678 -7.288 1.00 0.00 C ATOM 821 CG ASP A 51 15.060 -13.212 -8.752 1.00 0.00 C ATOM 822 OD1 ASP A 51 16.193 -13.095 -9.270 1.00 0.00 O ATOM 823 OD2 ASP A 51 14.015 -12.987 -9.399 1.00 0.00 O ATOM 0 H ASP A 51 14.818 -13.945 -4.838 1.00 0.00 H new ATOM 0 HA ASP A 51 16.967 -13.323 -6.634 1.00 0.00 H new ATOM 0 HB2 ASP A 51 15.075 -14.759 -7.251 1.00 0.00 H new ATOM 0 HB3 ASP A 51 13.937 -13.466 -6.930 1.00 0.00 H new ATOM 828 N SER A 52 17.010 -10.833 -6.773 1.00 0.00 N ATOM 829 CA SER A 52 17.093 -9.359 -6.918 1.00 0.00 C ATOM 830 C SER A 52 16.158 -8.855 -8.041 1.00 0.00 C ATOM 831 O SER A 52 15.624 -7.734 -7.968 1.00 0.00 O ATOM 832 CB SER A 52 18.557 -8.940 -7.193 1.00 0.00 C ATOM 833 OG SER A 52 18.713 -7.528 -7.217 1.00 0.00 O ATOM 0 H SER A 52 17.885 -11.313 -6.983 1.00 0.00 H new ATOM 0 HA SER A 52 16.763 -8.900 -5.986 1.00 0.00 H new ATOM 0 HB2 SER A 52 19.205 -9.363 -6.425 1.00 0.00 H new ATOM 0 HB3 SER A 52 18.880 -9.356 -8.147 1.00 0.00 H new ATOM 0 HG SER A 52 19.651 -7.305 -7.392 1.00 0.00 H new ATOM 839 N LYS A 53 15.960 -9.712 -9.063 1.00 0.00 N ATOM 840 CA LYS A 53 15.091 -9.412 -10.218 1.00 0.00 C ATOM 841 C LYS A 53 13.605 -9.498 -9.835 1.00 0.00 C ATOM 842 O LYS A 53 12.746 -8.982 -10.569 1.00 0.00 O ATOM 843 CB LYS A 53 15.369 -10.397 -11.381 1.00 0.00 C ATOM 844 CG LYS A 53 16.834 -10.452 -11.872 1.00 0.00 C ATOM 845 CD LYS A 53 17.004 -11.410 -13.083 1.00 0.00 C ATOM 846 CE LYS A 53 16.221 -10.948 -14.323 1.00 0.00 C ATOM 847 NZ LYS A 53 16.288 -11.940 -15.437 1.00 0.00 N ATOM 0 H LYS A 53 16.398 -10.632 -9.110 1.00 0.00 H new ATOM 0 HA LYS A 53 15.317 -8.395 -10.537 1.00 0.00 H new ATOM 0 HB2 LYS A 53 15.072 -11.397 -11.065 1.00 0.00 H new ATOM 0 HB3 LYS A 53 14.732 -10.126 -12.223 1.00 0.00 H new ATOM 0 HG2 LYS A 53 17.161 -9.451 -12.153 1.00 0.00 H new ATOM 0 HG3 LYS A 53 17.478 -10.780 -11.056 1.00 0.00 H new ATOM 0 HD2 LYS A 53 18.062 -11.486 -13.335 1.00 0.00 H new ATOM 0 HD3 LYS A 53 16.671 -12.409 -12.800 1.00 0.00 H new ATOM 0 HE2 LYS A 53 15.179 -10.781 -14.051 1.00 0.00 H new ATOM 0 HE3 LYS A 53 16.618 -9.993 -14.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 15.746 -11.585 -16.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 17.280 -12.082 -15.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 15.885 -12.845 -15.121 1.00 0.00 H new ATOM 861 N TRP A 54 13.303 -10.177 -8.707 1.00 0.00 N ATOM 862 CA TRP A 54 11.927 -10.347 -8.229 1.00 0.00 C ATOM 863 C TRP A 54 11.308 -8.978 -7.929 1.00 0.00 C ATOM 864 O TRP A 54 11.892 -8.165 -7.214 1.00 0.00 O ATOM 865 CB TRP A 54 11.872 -11.255 -6.972 1.00 0.00 C ATOM 866 CG TRP A 54 10.474 -11.683 -6.575 1.00 0.00 C ATOM 867 CD1 TRP A 54 9.516 -10.935 -5.942 1.00 0.00 C ATOM 868 CD2 TRP A 54 9.875 -12.964 -6.810 1.00 0.00 C ATOM 869 NE1 TRP A 54 8.380 -11.673 -5.762 1.00 0.00 N ATOM 870 CE2 TRP A 54 8.572 -12.919 -6.288 1.00 0.00 C ATOM 871 CE3 TRP A 54 10.320 -14.142 -7.412 1.00 0.00 C ATOM 872 CZ2 TRP A 54 7.712 -14.007 -6.346 1.00 0.00 C ATOM 873 CZ3 TRP A 54 9.464 -15.221 -7.472 1.00 0.00 C ATOM 874 CH2 TRP A 54 8.173 -15.146 -6.941 1.00 0.00 C ATOM 0 H TRP A 54 14.005 -10.617 -8.111 1.00 0.00 H new ATOM 0 HA TRP A 54 11.351 -10.837 -9.014 1.00 0.00 H new ATOM 0 HB2 TRP A 54 12.474 -12.145 -7.154 1.00 0.00 H new ATOM 0 HB3 TRP A 54 12.329 -10.726 -6.136 1.00 0.00 H new ATOM 0 HD1 TRP A 54 9.641 -9.909 -5.630 1.00 0.00 H new ATOM 0 HE1 TRP A 54 7.527 -11.346 -5.308 1.00 0.00 H new ATOM 0 HE3 TRP A 54 11.317 -14.207 -7.823 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 6.714 -13.954 -5.935 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 9.796 -16.138 -7.936 1.00 0.00 H new ATOM 0 HH2 TRP A 54 7.526 -16.008 -7.003 1.00 0.00 H new ATOM 885 N SER A 55 10.131 -8.750 -8.506 1.00 0.00 N ATOM 886 CA SER A 55 9.381 -7.515 -8.351 1.00 0.00 C ATOM 887 C SER A 55 7.894 -7.807 -8.563 1.00 0.00 C ATOM 888 O SER A 55 7.494 -8.242 -9.647 1.00 0.00 O ATOM 889 CB SER A 55 9.919 -6.448 -9.334 1.00 0.00 C ATOM 890 OG SER A 55 10.135 -6.989 -10.630 1.00 0.00 O ATOM 0 H SER A 55 9.667 -9.433 -9.104 1.00 0.00 H new ATOM 0 HA SER A 55 9.504 -7.114 -7.345 1.00 0.00 H new ATOM 0 HB2 SER A 55 9.211 -5.622 -9.398 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.853 -6.038 -8.950 1.00 0.00 H new ATOM 0 HG SER A 55 10.934 -7.557 -10.618 1.00 0.00 H new ATOM 896 N LEU A 56 7.082 -7.585 -7.514 1.00 0.00 N ATOM 897 CA LEU A 56 5.651 -7.927 -7.524 1.00 0.00 C ATOM 898 C LEU A 56 4.820 -6.656 -7.774 1.00 0.00 C ATOM 899 O LEU A 56 5.018 -5.642 -7.094 1.00 0.00 O ATOM 900 CB LEU A 56 5.252 -8.596 -6.176 1.00 0.00 C ATOM 901 CG LEU A 56 3.755 -9.033 -6.042 1.00 0.00 C ATOM 902 CD1 LEU A 56 3.359 -10.057 -7.127 1.00 0.00 C ATOM 903 CD2 LEU A 56 3.461 -9.580 -4.626 1.00 0.00 C ATOM 0 H LEU A 56 7.399 -7.165 -6.640 1.00 0.00 H new ATOM 0 HA LEU A 56 5.452 -8.637 -8.326 1.00 0.00 H new ATOM 0 HB2 LEU A 56 5.880 -9.474 -6.029 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.481 -7.902 -5.367 1.00 0.00 H new ATOM 0 HG LEU A 56 3.142 -8.145 -6.195 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.313 -10.335 -7.000 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.500 -9.615 -8.113 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.984 -10.945 -7.035 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.414 -9.876 -4.561 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.096 -10.444 -4.431 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.666 -8.805 -3.887 1.00 0.00 H new ATOM 915 N THR A 57 3.890 -6.731 -8.736 1.00 0.00 N ATOM 916 CA THR A 57 2.988 -5.624 -9.071 1.00 0.00 C ATOM 917 C THR A 57 1.667 -5.831 -8.311 1.00 0.00 C ATOM 918 O THR A 57 0.920 -6.768 -8.603 1.00 0.00 O ATOM 919 CB THR A 57 2.709 -5.588 -10.617 1.00 0.00 C ATOM 920 OG1 THR A 57 3.944 -5.547 -11.348 1.00 0.00 O ATOM 921 CG2 THR A 57 1.845 -4.394 -11.028 1.00 0.00 C ATOM 0 H THR A 57 3.743 -7.565 -9.305 1.00 0.00 H new ATOM 0 HA THR A 57 3.448 -4.678 -8.786 1.00 0.00 H new ATOM 0 HB THR A 57 2.161 -6.499 -10.856 1.00 0.00 H new ATOM 0 HG1 THR A 57 3.755 -5.526 -12.309 1.00 0.00 H new ATOM 0 HG21 THR A 57 1.682 -4.416 -12.106 1.00 0.00 H new ATOM 0 HG22 THR A 57 0.885 -4.446 -10.515 1.00 0.00 H new ATOM 0 HG23 THR A 57 2.352 -3.468 -10.757 1.00 0.00 H new ATOM 929 N GLN A 58 1.395 -4.964 -7.328 1.00 0.00 N ATOM 930 CA GLN A 58 0.174 -5.047 -6.520 1.00 0.00 C ATOM 931 C GLN A 58 -0.710 -3.840 -6.846 1.00 0.00 C ATOM 932 O GLN A 58 -0.266 -2.690 -6.747 1.00 0.00 O ATOM 933 CB GLN A 58 0.518 -5.084 -5.008 1.00 0.00 C ATOM 934 CG GLN A 58 -0.547 -5.747 -4.121 1.00 0.00 C ATOM 935 CD GLN A 58 -0.618 -7.270 -4.262 1.00 0.00 C ATOM 936 OE1 GLN A 58 -1.693 -7.857 -4.161 1.00 0.00 O ATOM 937 NE2 GLN A 58 0.529 -7.929 -4.434 1.00 0.00 N ATOM 0 H GLN A 58 2.010 -4.191 -7.072 1.00 0.00 H new ATOM 0 HA GLN A 58 -0.361 -5.967 -6.756 1.00 0.00 H new ATOM 0 HB2 GLN A 58 1.461 -5.615 -4.877 1.00 0.00 H new ATOM 0 HB3 GLN A 58 0.676 -4.063 -4.661 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -0.343 -5.498 -3.080 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -1.522 -5.324 -4.365 1.00 0.00 H new ATOM 0 HE21 GLN A 58 1.406 -7.414 -4.515 1.00 0.00 H new ATOM 0 HE22 GLN A 58 0.529 -8.948 -4.485 1.00 0.00 H new ATOM 946 N THR A 59 -1.948 -4.127 -7.240 1.00 0.00 N ATOM 947 CA THR A 59 -2.948 -3.132 -7.618 1.00 0.00 C ATOM 948 C THR A 59 -3.321 -2.246 -6.406 1.00 0.00 C ATOM 949 O THR A 59 -3.785 -2.752 -5.379 1.00 0.00 O ATOM 950 CB THR A 59 -4.203 -3.875 -8.173 1.00 0.00 C ATOM 951 OG1 THR A 59 -3.804 -4.780 -9.219 1.00 0.00 O ATOM 952 CG2 THR A 59 -5.261 -2.920 -8.717 1.00 0.00 C ATOM 0 H THR A 59 -2.293 -5.085 -7.307 1.00 0.00 H new ATOM 0 HA THR A 59 -2.543 -2.476 -8.389 1.00 0.00 H new ATOM 0 HB THR A 59 -4.648 -4.418 -7.339 1.00 0.00 H new ATOM 0 HG1 THR A 59 -3.428 -4.270 -9.967 1.00 0.00 H new ATOM 0 HG21 THR A 59 -6.111 -3.492 -9.089 1.00 0.00 H new ATOM 0 HG22 THR A 59 -5.593 -2.253 -7.921 1.00 0.00 H new ATOM 0 HG23 THR A 59 -4.836 -2.331 -9.530 1.00 0.00 H new ATOM 960 N PHE A 60 -3.059 -0.931 -6.532 1.00 0.00 N ATOM 961 CA PHE A 60 -3.410 0.077 -5.509 1.00 0.00 C ATOM 962 C PHE A 60 -4.596 0.889 -6.046 1.00 0.00 C ATOM 963 O PHE A 60 -4.448 1.549 -7.067 1.00 0.00 O ATOM 964 CB PHE A 60 -2.186 1.015 -5.216 1.00 0.00 C ATOM 965 CG PHE A 60 -1.857 1.186 -3.736 1.00 0.00 C ATOM 966 CD1 PHE A 60 -2.841 1.538 -2.818 1.00 0.00 C ATOM 967 CD2 PHE A 60 -0.563 0.983 -3.270 1.00 0.00 C ATOM 968 CE1 PHE A 60 -2.537 1.668 -1.479 1.00 0.00 C ATOM 969 CE2 PHE A 60 -0.262 1.116 -1.938 1.00 0.00 C ATOM 970 CZ PHE A 60 -1.247 1.457 -1.039 1.00 0.00 C ATOM 0 H PHE A 60 -2.596 -0.535 -7.350 1.00 0.00 H new ATOM 0 HA PHE A 60 -3.678 -0.411 -4.572 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -1.309 0.616 -5.726 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -2.386 1.996 -5.646 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -3.852 1.711 -3.157 1.00 0.00 H new ATOM 0 HD2 PHE A 60 0.217 0.716 -3.967 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -3.310 1.935 -0.774 1.00 0.00 H new ATOM 0 HE2 PHE A 60 0.749 0.953 -1.595 1.00 0.00 H new ATOM 0 HZ PHE A 60 -1.010 1.559 0.010 1.00 0.00 H new ATOM 980 N GLU A 61 -5.761 0.788 -5.380 1.00 0.00 N ATOM 981 CA GLU A 61 -7.019 1.448 -5.804 1.00 0.00 C ATOM 982 C GLU A 61 -8.145 1.128 -4.798 1.00 0.00 C ATOM 983 O GLU A 61 -7.869 0.728 -3.658 1.00 0.00 O ATOM 984 CB GLU A 61 -7.431 0.998 -7.246 1.00 0.00 C ATOM 985 CG GLU A 61 -7.661 -0.524 -7.398 1.00 0.00 C ATOM 986 CD GLU A 61 -8.171 -0.946 -8.791 1.00 0.00 C ATOM 987 OE1 GLU A 61 -7.557 -0.558 -9.807 1.00 0.00 O ATOM 988 OE2 GLU A 61 -9.184 -1.676 -8.874 1.00 0.00 O ATOM 0 H GLU A 61 -5.861 0.242 -4.524 1.00 0.00 H new ATOM 0 HA GLU A 61 -6.854 2.525 -5.823 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -8.344 1.521 -7.530 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.655 1.308 -7.946 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -6.726 -1.045 -7.192 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -8.379 -0.849 -6.646 1.00 0.00 H new ATOM 995 N ALA A 62 -9.402 1.327 -5.244 1.00 0.00 N ATOM 996 CA ALA A 62 -10.619 1.127 -4.444 1.00 0.00 C ATOM 997 C ALA A 62 -10.687 2.166 -3.305 1.00 0.00 C ATOM 998 O ALA A 62 -11.035 3.328 -3.566 1.00 0.00 O ATOM 999 CB ALA A 62 -10.781 -0.341 -3.952 1.00 0.00 C ATOM 0 H ALA A 62 -9.600 1.639 -6.195 1.00 0.00 H new ATOM 0 HA ALA A 62 -11.480 1.296 -5.090 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -11.696 -0.430 -3.367 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -10.834 -1.009 -4.812 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -9.927 -0.614 -3.333 1.00 0.00 H new ATOM 1005 N LEU A 63 -10.273 1.764 -2.081 1.00 0.00 N ATOM 1006 CA LEU A 63 -10.469 2.559 -0.840 1.00 0.00 C ATOM 1007 C LEU A 63 -11.930 3.081 -0.732 1.00 0.00 C ATOM 1008 O LEU A 63 -12.229 4.151 -1.278 1.00 0.00 O ATOM 1009 CB LEU A 63 -9.434 3.731 -0.700 1.00 0.00 C ATOM 1010 CG LEU A 63 -8.030 3.361 -0.126 1.00 0.00 C ATOM 1011 CD1 LEU A 63 -8.160 2.572 1.200 1.00 0.00 C ATOM 1012 CD2 LEU A 63 -7.157 2.619 -1.167 1.00 0.00 C ATOM 0 H LEU A 63 -9.793 0.878 -1.923 1.00 0.00 H new ATOM 0 HA LEU A 63 -10.286 1.883 -0.005 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -9.292 4.179 -1.683 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -9.872 4.497 -0.060 1.00 0.00 H new ATOM 0 HG LEU A 63 -7.511 4.292 0.102 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -7.167 2.328 1.577 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -8.688 3.180 1.935 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -8.717 1.652 1.023 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -6.189 2.380 -0.726 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -7.655 1.698 -1.469 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -7.011 3.256 -2.040 1.00 0.00 H new ATOM 1024 N PRO A 64 -12.858 2.310 -0.062 1.00 0.00 N ATOM 1025 CA PRO A 64 -14.298 2.666 0.047 1.00 0.00 C ATOM 1026 C PRO A 64 -14.516 4.116 0.541 1.00 0.00 C ATOM 1027 O PRO A 64 -14.421 4.405 1.743 1.00 0.00 O ATOM 1028 CB PRO A 64 -14.867 1.604 1.047 1.00 0.00 C ATOM 1029 CG PRO A 64 -13.666 0.976 1.688 1.00 0.00 C ATOM 1030 CD PRO A 64 -12.571 1.039 0.649 1.00 0.00 C ATOM 0 HA PRO A 64 -14.804 2.645 -0.918 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -15.511 2.072 1.792 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -15.470 0.859 0.528 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -13.379 1.512 2.593 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -13.871 -0.054 1.979 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -11.581 1.047 1.106 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -12.604 0.183 -0.025 1.00 0.00 H new ATOM 1038 N SER A 65 -14.734 5.027 -0.425 1.00 0.00 N ATOM 1039 CA SER A 65 -15.002 6.441 -0.162 1.00 0.00 C ATOM 1040 C SER A 65 -16.485 6.625 0.184 1.00 0.00 C ATOM 1041 O SER A 65 -17.336 6.360 -0.676 1.00 0.00 O ATOM 1042 CB SER A 65 -14.605 7.294 -1.395 1.00 0.00 C ATOM 1043 OG SER A 65 -13.247 7.093 -1.739 1.00 0.00 O ATOM 0 H SER A 65 -14.728 4.793 -1.418 1.00 0.00 H new ATOM 0 HA SER A 65 -14.405 6.777 0.686 1.00 0.00 H new ATOM 0 HB2 SER A 65 -15.240 7.033 -2.241 1.00 0.00 H new ATOM 0 HB3 SER A 65 -14.777 8.349 -1.182 1.00 0.00 H new ATOM 0 HG SER A 65 -13.170 6.972 -2.708 1.00 0.00 H new ATOM 1049 N PRO A 66 -16.828 7.023 1.458 1.00 0.00 N ATOM 1050 CA PRO A 66 -18.226 7.280 1.859 1.00 0.00 C ATOM 1051 C PRO A 66 -18.863 8.333 0.939 1.00 0.00 C ATOM 1052 O PRO A 66 -18.325 9.438 0.799 1.00 0.00 O ATOM 1053 CB PRO A 66 -18.103 7.786 3.327 1.00 0.00 C ATOM 1054 CG PRO A 66 -16.671 8.205 3.475 1.00 0.00 C ATOM 1055 CD PRO A 66 -15.898 7.254 2.598 1.00 0.00 C ATOM 0 HA PRO A 66 -18.868 6.402 1.783 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -18.779 8.620 3.515 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -18.360 7.001 4.038 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -16.527 9.239 3.161 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -16.345 8.139 4.513 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -14.953 7.686 2.268 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -15.659 6.327 3.119 1.00 0.00 H new ATOM 1063 N VAL A 67 -19.965 7.960 0.263 1.00 0.00 N ATOM 1064 CA VAL A 67 -20.668 8.876 -0.640 1.00 0.00 C ATOM 1065 C VAL A 67 -21.366 9.943 0.207 1.00 0.00 C ATOM 1066 O VAL A 67 -22.390 9.676 0.850 1.00 0.00 O ATOM 1067 CB VAL A 67 -21.690 8.105 -1.563 1.00 0.00 C ATOM 1068 CG1 VAL A 67 -22.410 9.064 -2.544 1.00 0.00 C ATOM 1069 CG2 VAL A 67 -20.968 6.967 -2.321 1.00 0.00 C ATOM 0 H VAL A 67 -20.383 7.032 0.328 1.00 0.00 H new ATOM 0 HA VAL A 67 -19.953 9.353 -1.310 1.00 0.00 H new ATOM 0 HB VAL A 67 -22.458 7.666 -0.926 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -23.105 8.497 -3.163 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -22.959 9.818 -1.979 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -21.673 9.553 -3.181 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -21.682 6.442 -2.955 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -20.175 7.388 -2.939 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -20.537 6.268 -1.604 1.00 0.00 H new ATOM 1079 N ILE A 68 -20.765 11.147 0.226 1.00 0.00 N ATOM 1080 CA ILE A 68 -21.228 12.267 1.044 1.00 0.00 C ATOM 1081 C ILE A 68 -21.873 13.299 0.122 1.00 0.00 C ATOM 1082 O ILE A 68 -21.197 13.900 -0.718 1.00 0.00 O ATOM 1083 CB ILE A 68 -20.055 12.922 1.867 1.00 0.00 C ATOM 1084 CG1 ILE A 68 -19.302 11.855 2.720 1.00 0.00 C ATOM 1085 CG2 ILE A 68 -20.588 14.052 2.774 1.00 0.00 C ATOM 1086 CD1 ILE A 68 -18.145 12.394 3.544 1.00 0.00 C ATOM 0 H ILE A 68 -19.939 11.364 -0.332 1.00 0.00 H new ATOM 0 HA ILE A 68 -21.952 11.898 1.770 1.00 0.00 H new ATOM 0 HB ILE A 68 -19.349 13.350 1.155 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -20.016 11.378 3.392 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -18.924 11.079 2.054 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -19.761 14.490 3.333 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -21.058 14.820 2.160 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -21.321 13.645 3.470 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -17.685 11.579 4.102 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -17.405 12.844 2.882 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -18.514 13.147 4.240 1.00 0.00 H new ATOM 1098 N ILE A 69 -23.189 13.466 0.268 1.00 0.00 N ATOM 1099 CA ILE A 69 -23.988 14.333 -0.592 1.00 0.00 C ATOM 1100 C ILE A 69 -23.770 15.808 -0.194 1.00 0.00 C ATOM 1101 O ILE A 69 -23.716 16.138 0.994 1.00 0.00 O ATOM 1102 CB ILE A 69 -25.503 13.926 -0.518 1.00 0.00 C ATOM 1103 CG1 ILE A 69 -25.674 12.385 -0.768 1.00 0.00 C ATOM 1104 CG2 ILE A 69 -26.364 14.733 -1.513 1.00 0.00 C ATOM 1105 CD1 ILE A 69 -25.121 11.869 -2.096 1.00 0.00 C ATOM 0 H ILE A 69 -23.732 12.998 0.994 1.00 0.00 H new ATOM 0 HA ILE A 69 -23.669 14.214 -1.627 1.00 0.00 H new ATOM 0 HB ILE A 69 -25.855 14.161 0.486 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -25.184 11.846 0.043 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -26.735 12.142 -0.717 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -27.405 14.421 -1.430 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -26.284 15.796 -1.284 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -26.011 14.553 -2.529 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -25.290 10.795 -2.168 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -25.626 12.372 -2.921 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -24.051 12.072 -2.148 1.00 0.00 H new ATOM 1117 N GLY A 70 -23.637 16.675 -1.208 1.00 0.00 N ATOM 1118 CA GLY A 70 -23.229 18.056 -1.008 1.00 0.00 C ATOM 1119 C GLY A 70 -21.710 18.210 -0.976 1.00 0.00 C ATOM 1120 O GLY A 70 -21.206 19.313 -0.745 1.00 0.00 O ATOM 0 H GLY A 70 -23.811 16.431 -2.183 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -23.638 18.673 -1.808 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -23.650 18.426 -0.073 1.00 0.00 H new ATOM 1124 N TYR A 71 -20.973 17.102 -1.225 1.00 0.00 N ATOM 1125 CA TYR A 71 -19.495 17.068 -1.150 1.00 0.00 C ATOM 1126 C TYR A 71 -18.898 16.176 -2.249 1.00 0.00 C ATOM 1127 O TYR A 71 -19.594 15.350 -2.860 1.00 0.00 O ATOM 1128 CB TYR A 71 -19.020 16.550 0.236 1.00 0.00 C ATOM 1129 CG TYR A 71 -19.332 17.495 1.408 1.00 0.00 C ATOM 1130 CD1 TYR A 71 -18.431 18.479 1.801 1.00 0.00 C ATOM 1131 CD2 TYR A 71 -20.540 17.406 2.098 1.00 0.00 C ATOM 1132 CE1 TYR A 71 -18.726 19.338 2.837 1.00 0.00 C ATOM 1133 CE2 TYR A 71 -20.835 18.258 3.133 1.00 0.00 C ATOM 1134 CZ TYR A 71 -19.931 19.222 3.498 1.00 0.00 C ATOM 1135 OH TYR A 71 -20.237 20.078 4.531 1.00 0.00 O ATOM 0 H TYR A 71 -21.388 16.207 -1.484 1.00 0.00 H new ATOM 0 HA TYR A 71 -19.146 18.090 -1.294 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -19.488 15.585 0.429 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -17.944 16.381 0.198 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -17.486 18.571 1.286 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -21.258 16.652 1.813 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -18.017 20.098 3.130 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -21.775 18.169 3.657 1.00 0.00 H new ATOM 0 HH TYR A 71 -21.124 19.859 4.885 1.00 0.00 H new ATOM 1145 N THR A 72 -17.589 16.373 -2.481 1.00 0.00 N ATOM 1146 CA THR A 72 -16.764 15.540 -3.362 1.00 0.00 C ATOM 1147 C THR A 72 -15.311 15.586 -2.834 1.00 0.00 C ATOM 1148 O THR A 72 -14.825 16.663 -2.476 1.00 0.00 O ATOM 1149 CB THR A 72 -16.816 16.024 -4.860 1.00 0.00 C ATOM 1150 OG1 THR A 72 -18.182 16.138 -5.307 1.00 0.00 O ATOM 1151 CG2 THR A 72 -16.065 15.064 -5.807 1.00 0.00 C ATOM 0 H THR A 72 -17.066 17.135 -2.049 1.00 0.00 H new ATOM 0 HA THR A 72 -17.151 14.521 -3.352 1.00 0.00 H new ATOM 0 HB THR A 72 -16.326 16.997 -4.891 1.00 0.00 H new ATOM 0 HG1 THR A 72 -18.197 16.441 -6.239 1.00 0.00 H new ATOM 0 HG21 THR A 72 -16.128 15.438 -6.829 1.00 0.00 H new ATOM 0 HG22 THR A 72 -15.019 15.001 -5.507 1.00 0.00 H new ATOM 0 HG23 THR A 72 -16.517 14.074 -5.755 1.00 0.00 H new ATOM 1159 N ALA A 73 -14.645 14.420 -2.762 1.00 0.00 N ATOM 1160 CA ALA A 73 -13.256 14.296 -2.275 1.00 0.00 C ATOM 1161 C ALA A 73 -12.253 14.753 -3.345 1.00 0.00 C ATOM 1162 O ALA A 73 -12.591 14.765 -4.534 1.00 0.00 O ATOM 1163 CB ALA A 73 -12.994 12.837 -1.878 1.00 0.00 C ATOM 0 H ALA A 73 -15.057 13.530 -3.042 1.00 0.00 H new ATOM 0 HA ALA A 73 -13.124 14.941 -1.406 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -11.970 12.736 -1.517 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -13.687 12.544 -1.089 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -13.138 12.192 -2.745 1.00 0.00 H new ATOM 1169 N ASP A 74 -11.014 15.106 -2.918 1.00 0.00 N ATOM 1170 CA ASP A 74 -9.898 15.407 -3.868 1.00 0.00 C ATOM 1171 C ASP A 74 -9.605 14.166 -4.729 1.00 0.00 C ATOM 1172 O ASP A 74 -9.228 14.267 -5.904 1.00 0.00 O ATOM 1173 CB ASP A 74 -8.587 15.810 -3.142 1.00 0.00 C ATOM 1174 CG ASP A 74 -8.684 17.099 -2.319 1.00 0.00 C ATOM 1175 OD1 ASP A 74 -9.047 18.155 -2.886 1.00 0.00 O ATOM 1176 OD2 ASP A 74 -8.360 17.071 -1.116 1.00 0.00 O ATOM 0 H ASP A 74 -10.758 15.190 -1.934 1.00 0.00 H new ATOM 0 HA ASP A 74 -10.224 16.249 -4.479 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -8.287 14.995 -2.483 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -7.797 15.927 -3.884 1.00 0.00 H new ATOM 1181 N LYS A 75 -9.771 13.003 -4.083 1.00 0.00 N ATOM 1182 CA LYS A 75 -9.707 11.698 -4.717 1.00 0.00 C ATOM 1183 C LYS A 75 -10.804 10.790 -4.120 1.00 0.00 C ATOM 1184 O LYS A 75 -10.708 10.362 -2.959 1.00 0.00 O ATOM 1185 CB LYS A 75 -8.287 11.041 -4.595 1.00 0.00 C ATOM 1186 CG LYS A 75 -7.723 10.837 -3.160 1.00 0.00 C ATOM 1187 CD LYS A 75 -7.020 12.079 -2.577 1.00 0.00 C ATOM 1188 CE LYS A 75 -5.730 12.436 -3.339 1.00 0.00 C ATOM 1189 NZ LYS A 75 -4.927 13.460 -2.619 1.00 0.00 N ATOM 0 H LYS A 75 -9.957 12.953 -3.081 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.885 11.826 -5.785 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.320 10.069 -5.087 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -7.580 11.656 -5.152 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -8.540 10.551 -2.498 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -7.017 10.006 -3.173 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -7.703 12.928 -2.608 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -6.782 11.899 -1.529 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -5.130 11.537 -3.479 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -5.985 12.807 -4.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -4.059 13.661 -3.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -5.484 14.333 -2.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -4.676 13.103 -1.675 1.00 0.00 H new ATOM 1203 N PRO A 76 -11.917 10.537 -4.880 1.00 0.00 N ATOM 1204 CA PRO A 76 -12.847 9.420 -4.571 1.00 0.00 C ATOM 1205 C PRO A 76 -12.225 8.042 -4.922 1.00 0.00 C ATOM 1206 O PRO A 76 -12.825 6.999 -4.671 1.00 0.00 O ATOM 1207 CB PRO A 76 -14.081 9.742 -5.453 1.00 0.00 C ATOM 1208 CG PRO A 76 -13.530 10.515 -6.610 1.00 0.00 C ATOM 1209 CD PRO A 76 -12.397 11.348 -6.043 1.00 0.00 C ATOM 0 HA PRO A 76 -13.091 9.344 -3.511 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -14.578 8.831 -5.786 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -14.820 10.325 -4.903 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -13.171 9.846 -7.392 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -14.296 11.148 -7.058 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -11.607 11.504 -6.777 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -12.741 12.334 -5.730 1.00 0.00 H new ATOM 1217 N MET A 77 -11.021 8.061 -5.524 1.00 0.00 N ATOM 1218 CA MET A 77 -10.229 6.864 -5.806 1.00 0.00 C ATOM 1219 C MET A 77 -8.775 7.142 -5.407 1.00 0.00 C ATOM 1220 O MET A 77 -8.079 7.918 -6.081 1.00 0.00 O ATOM 1221 CB MET A 77 -10.351 6.488 -7.301 1.00 0.00 C ATOM 1222 CG MET A 77 -9.638 5.193 -7.683 1.00 0.00 C ATOM 1223 SD MET A 77 -10.156 3.791 -6.681 1.00 0.00 S ATOM 1224 CE MET A 77 -11.940 3.793 -6.900 1.00 0.00 C ATOM 0 H MET A 77 -10.571 8.924 -5.830 1.00 0.00 H new ATOM 0 HA MET A 77 -10.597 6.015 -5.230 1.00 0.00 H new ATOM 0 HB2 MET A 77 -11.407 6.396 -7.556 1.00 0.00 H new ATOM 0 HB3 MET A 77 -9.947 7.302 -7.903 1.00 0.00 H new ATOM 0 HG2 MET A 77 -9.830 4.974 -8.733 1.00 0.00 H new ATOM 0 HG3 MET A 77 -8.562 5.331 -7.578 1.00 0.00 H new ATOM 0 HE1 MET A 77 -12.341 2.816 -6.629 1.00 0.00 H new ATOM 0 HE2 MET A 77 -12.384 4.557 -6.262 1.00 0.00 H new ATOM 0 HE3 MET A 77 -12.178 4.007 -7.942 1.00 0.00 H new ATOM 1234 N VAL A 78 -8.338 6.525 -4.298 1.00 0.00 N ATOM 1235 CA VAL A 78 -7.033 6.797 -3.683 1.00 0.00 C ATOM 1236 C VAL A 78 -5.911 5.992 -4.353 1.00 0.00 C ATOM 1237 O VAL A 78 -5.977 4.757 -4.396 1.00 0.00 O ATOM 1238 CB VAL A 78 -7.044 6.479 -2.148 1.00 0.00 C ATOM 1239 CG1 VAL A 78 -5.640 6.675 -1.542 1.00 0.00 C ATOM 1240 CG2 VAL A 78 -8.105 7.334 -1.415 1.00 0.00 C ATOM 0 H VAL A 78 -8.884 5.821 -3.802 1.00 0.00 H new ATOM 0 HA VAL A 78 -6.841 7.860 -3.827 1.00 0.00 H new ATOM 0 HB VAL A 78 -7.319 5.433 -2.015 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -5.669 6.449 -0.476 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.934 6.007 -2.035 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.323 7.708 -1.686 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -8.093 7.095 -0.352 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -7.878 8.391 -1.552 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -9.092 7.119 -1.824 1.00 0.00 H new ATOM 1250 N GLY A 79 -4.890 6.733 -4.844 1.00 0.00 N ATOM 1251 CA GLY A 79 -3.667 6.172 -5.430 1.00 0.00 C ATOM 1252 C GLY A 79 -3.882 5.065 -6.458 1.00 0.00 C ATOM 1253 O GLY A 79 -3.291 3.996 -6.309 1.00 0.00 O ATOM 0 H GLY A 79 -4.901 7.753 -4.840 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -3.107 6.979 -5.902 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -3.045 5.781 -4.625 1.00 0.00 H new ATOM 1257 N PRO A 80 -4.714 5.287 -7.529 1.00 0.00 N ATOM 1258 CA PRO A 80 -5.041 4.229 -8.505 1.00 0.00 C ATOM 1259 C PRO A 80 -3.857 3.936 -9.454 1.00 0.00 C ATOM 1260 O PRO A 80 -3.805 4.428 -10.581 1.00 0.00 O ATOM 1261 CB PRO A 80 -6.274 4.800 -9.238 1.00 0.00 C ATOM 1262 CG PRO A 80 -6.110 6.283 -9.175 1.00 0.00 C ATOM 1263 CD PRO A 80 -5.387 6.573 -7.876 1.00 0.00 C ATOM 0 HA PRO A 80 -5.245 3.262 -8.044 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -6.316 4.451 -10.270 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -7.200 4.485 -8.757 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -5.539 6.648 -10.028 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -7.078 6.783 -9.202 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -4.664 7.380 -7.996 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -6.082 6.881 -7.095 1.00 0.00 H new ATOM 1271 N ASP A 81 -2.898 3.139 -8.969 1.00 0.00 N ATOM 1272 CA ASP A 81 -1.669 2.826 -9.704 1.00 0.00 C ATOM 1273 C ASP A 81 -1.059 1.529 -9.162 1.00 0.00 C ATOM 1274 O ASP A 81 -0.743 1.444 -7.970 1.00 0.00 O ATOM 1275 CB ASP A 81 -0.673 4.007 -9.590 1.00 0.00 C ATOM 1276 CG ASP A 81 0.647 3.758 -10.332 1.00 0.00 C ATOM 1277 OD1 ASP A 81 0.666 3.836 -11.584 1.00 0.00 O ATOM 1278 OD2 ASP A 81 1.669 3.464 -9.675 1.00 0.00 O ATOM 0 H ASP A 81 -2.953 2.692 -8.054 1.00 0.00 H new ATOM 0 HA ASP A 81 -1.899 2.679 -10.759 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -1.141 4.908 -9.987 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -0.461 4.195 -8.537 1.00 0.00 H new ATOM 1283 N GLU A 82 -0.940 0.522 -10.044 1.00 0.00 N ATOM 1284 CA GLU A 82 -0.369 -0.793 -9.704 1.00 0.00 C ATOM 1285 C GLU A 82 1.130 -0.670 -9.334 1.00 0.00 C ATOM 1286 O GLU A 82 1.999 -0.570 -10.213 1.00 0.00 O ATOM 1287 CB GLU A 82 -0.574 -1.812 -10.855 1.00 0.00 C ATOM 1288 CG GLU A 82 -2.035 -2.074 -11.261 1.00 0.00 C ATOM 1289 CD GLU A 82 -2.179 -3.218 -12.288 1.00 0.00 C ATOM 1290 OE1 GLU A 82 -1.955 -2.978 -13.496 1.00 0.00 O ATOM 1291 OE2 GLU A 82 -2.485 -4.365 -11.888 1.00 0.00 O ATOM 0 H GLU A 82 -1.238 0.597 -11.017 1.00 0.00 H new ATOM 0 HA GLU A 82 -0.902 -1.168 -8.830 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -0.031 -1.457 -11.731 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -0.122 -2.760 -10.562 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -2.616 -2.317 -10.371 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -2.459 -1.161 -11.680 1.00 0.00 H new ATOM 1298 N VAL A 83 1.408 -0.682 -8.021 1.00 0.00 N ATOM 1299 CA VAL A 83 2.748 -0.439 -7.461 1.00 0.00 C ATOM 1300 C VAL A 83 3.610 -1.712 -7.550 1.00 0.00 C ATOM 1301 O VAL A 83 3.329 -2.708 -6.879 1.00 0.00 O ATOM 1302 CB VAL A 83 2.638 0.075 -5.971 1.00 0.00 C ATOM 1303 CG1 VAL A 83 4.018 0.248 -5.310 1.00 0.00 C ATOM 1304 CG2 VAL A 83 1.844 1.398 -5.920 1.00 0.00 C ATOM 0 H VAL A 83 0.700 -0.863 -7.309 1.00 0.00 H new ATOM 0 HA VAL A 83 3.237 0.337 -8.049 1.00 0.00 H new ATOM 0 HB VAL A 83 2.104 -0.687 -5.403 1.00 0.00 H new ATOM 0 HG11 VAL A 83 3.890 0.603 -4.287 1.00 0.00 H new ATOM 0 HG12 VAL A 83 4.539 -0.709 -5.299 1.00 0.00 H new ATOM 0 HG13 VAL A 83 4.604 0.973 -5.875 1.00 0.00 H new ATOM 0 HG21 VAL A 83 1.775 1.742 -4.888 1.00 0.00 H new ATOM 0 HG22 VAL A 83 2.354 2.152 -6.520 1.00 0.00 H new ATOM 0 HG23 VAL A 83 0.841 1.236 -6.316 1.00 0.00 H new ATOM 1314 N THR A 84 4.655 -1.667 -8.398 1.00 0.00 N ATOM 1315 CA THR A 84 5.575 -2.789 -8.602 1.00 0.00 C ATOM 1316 C THR A 84 6.800 -2.612 -7.692 1.00 0.00 C ATOM 1317 O THR A 84 7.675 -1.800 -7.990 1.00 0.00 O ATOM 1318 CB THR A 84 6.021 -2.875 -10.101 1.00 0.00 C ATOM 1319 OG1 THR A 84 4.878 -2.757 -10.968 1.00 0.00 O ATOM 1320 CG2 THR A 84 6.753 -4.197 -10.417 1.00 0.00 C ATOM 0 H THR A 84 4.881 -0.846 -8.960 1.00 0.00 H new ATOM 0 HA THR A 84 5.064 -3.718 -8.348 1.00 0.00 H new ATOM 0 HB THR A 84 6.714 -2.051 -10.273 1.00 0.00 H new ATOM 0 HG1 THR A 84 4.508 -3.647 -11.145 1.00 0.00 H new ATOM 0 HG21 THR A 84 7.043 -4.210 -11.468 1.00 0.00 H new ATOM 0 HG22 THR A 84 7.644 -4.278 -9.794 1.00 0.00 H new ATOM 0 HG23 THR A 84 6.090 -5.038 -10.213 1.00 0.00 H new ATOM 1328 N VAL A 85 6.831 -3.339 -6.568 1.00 0.00 N ATOM 1329 CA VAL A 85 7.923 -3.244 -5.583 1.00 0.00 C ATOM 1330 C VAL A 85 8.944 -4.353 -5.853 1.00 0.00 C ATOM 1331 O VAL A 85 8.577 -5.527 -5.902 1.00 0.00 O ATOM 1332 CB VAL A 85 7.372 -3.360 -4.114 1.00 0.00 C ATOM 1333 CG1 VAL A 85 8.501 -3.279 -3.066 1.00 0.00 C ATOM 1334 CG2 VAL A 85 6.304 -2.282 -3.845 1.00 0.00 C ATOM 0 H VAL A 85 6.104 -4.008 -6.314 1.00 0.00 H new ATOM 0 HA VAL A 85 8.402 -2.270 -5.684 1.00 0.00 H new ATOM 0 HB VAL A 85 6.909 -4.342 -4.019 1.00 0.00 H new ATOM 0 HG11 VAL A 85 8.076 -3.363 -2.066 1.00 0.00 H new ATOM 0 HG12 VAL A 85 9.208 -4.092 -3.229 1.00 0.00 H new ATOM 0 HG13 VAL A 85 9.018 -2.324 -3.161 1.00 0.00 H new ATOM 0 HG21 VAL A 85 5.937 -2.381 -2.824 1.00 0.00 H new ATOM 0 HG22 VAL A 85 6.743 -1.293 -3.979 1.00 0.00 H new ATOM 0 HG23 VAL A 85 5.476 -2.408 -4.542 1.00 0.00 H new ATOM 1344 N ASP A 86 10.215 -3.954 -6.039 1.00 0.00 N ATOM 1345 CA ASP A 86 11.333 -4.881 -6.302 1.00 0.00 C ATOM 1346 C ASP A 86 11.805 -5.508 -4.999 1.00 0.00 C ATOM 1347 O ASP A 86 11.420 -5.072 -3.923 1.00 0.00 O ATOM 1348 CB ASP A 86 12.532 -4.137 -6.956 1.00 0.00 C ATOM 1349 CG ASP A 86 12.176 -3.424 -8.262 1.00 0.00 C ATOM 1350 OD1 ASP A 86 11.642 -2.296 -8.205 1.00 0.00 O ATOM 1351 OD2 ASP A 86 12.428 -3.977 -9.353 1.00 0.00 O ATOM 0 H ASP A 86 10.498 -2.974 -6.011 1.00 0.00 H new ATOM 0 HA ASP A 86 10.974 -5.652 -6.984 1.00 0.00 H new ATOM 0 HB2 ASP A 86 12.924 -3.406 -6.249 1.00 0.00 H new ATOM 0 HB3 ASP A 86 13.331 -4.853 -7.150 1.00 0.00 H new ATOM 1356 N SER A 87 12.674 -6.510 -5.122 1.00 0.00 N ATOM 1357 CA SER A 87 13.371 -7.115 -3.973 1.00 0.00 C ATOM 1358 C SER A 87 14.409 -6.135 -3.401 1.00 0.00 C ATOM 1359 O SER A 87 14.728 -6.172 -2.212 1.00 0.00 O ATOM 1360 CB SER A 87 14.029 -8.440 -4.405 1.00 0.00 C ATOM 1361 OG SER A 87 14.532 -9.180 -3.298 1.00 0.00 O ATOM 0 H SER A 87 12.919 -6.930 -6.019 1.00 0.00 H new ATOM 0 HA SER A 87 12.650 -7.331 -3.184 1.00 0.00 H new ATOM 0 HB2 SER A 87 13.300 -9.046 -4.943 1.00 0.00 H new ATOM 0 HB3 SER A 87 14.843 -8.230 -5.098 1.00 0.00 H new ATOM 0 HG SER A 87 14.865 -10.048 -3.609 1.00 0.00 H new ATOM 1367 N LYS A 88 14.893 -5.255 -4.285 1.00 0.00 N ATOM 1368 CA LYS A 88 15.893 -4.229 -3.979 1.00 0.00 C ATOM 1369 C LYS A 88 15.327 -3.162 -3.020 1.00 0.00 C ATOM 1370 O LYS A 88 15.954 -2.846 -1.998 1.00 0.00 O ATOM 1371 CB LYS A 88 16.381 -3.609 -5.311 1.00 0.00 C ATOM 1372 CG LYS A 88 17.069 -4.640 -6.242 1.00 0.00 C ATOM 1373 CD LYS A 88 17.438 -4.069 -7.628 1.00 0.00 C ATOM 1374 CE LYS A 88 16.210 -3.798 -8.512 1.00 0.00 C ATOM 1375 NZ LYS A 88 15.447 -5.036 -8.830 1.00 0.00 N ATOM 0 H LYS A 88 14.591 -5.238 -5.259 1.00 0.00 H new ATOM 0 HA LYS A 88 16.740 -4.681 -3.463 1.00 0.00 H new ATOM 0 HB2 LYS A 88 15.532 -3.167 -5.832 1.00 0.00 H new ATOM 0 HB3 LYS A 88 17.079 -2.800 -5.095 1.00 0.00 H new ATOM 0 HG2 LYS A 88 17.973 -5.009 -5.757 1.00 0.00 H new ATOM 0 HG3 LYS A 88 16.407 -5.496 -6.375 1.00 0.00 H new ATOM 0 HD2 LYS A 88 17.996 -3.142 -7.496 1.00 0.00 H new ATOM 0 HD3 LYS A 88 18.099 -4.769 -8.139 1.00 0.00 H new ATOM 0 HE2 LYS A 88 15.553 -3.091 -8.007 1.00 0.00 H new ATOM 0 HE3 LYS A 88 16.533 -3.326 -9.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 14.437 -4.807 -8.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 15.795 -5.438 -9.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 15.576 -5.729 -8.065 1.00 0.00 H new ATOM 1389 N ASN A 89 14.137 -2.618 -3.343 1.00 0.00 N ATOM 1390 CA ASN A 89 13.459 -1.595 -2.496 1.00 0.00 C ATOM 1391 C ASN A 89 12.278 -2.213 -1.709 1.00 0.00 C ATOM 1392 O ASN A 89 11.380 -1.495 -1.260 1.00 0.00 O ATOM 1393 CB ASN A 89 12.968 -0.391 -3.357 1.00 0.00 C ATOM 1394 CG ASN A 89 11.825 -0.724 -4.323 1.00 0.00 C ATOM 1395 OD1 ASN A 89 11.782 -1.796 -4.910 1.00 0.00 O ATOM 1396 ND2 ASN A 89 10.881 0.188 -4.463 1.00 0.00 N ATOM 0 H ASN A 89 13.618 -2.866 -4.185 1.00 0.00 H new ATOM 0 HA ASN A 89 14.191 -1.227 -1.777 1.00 0.00 H new ATOM 0 HB2 ASN A 89 12.642 0.407 -2.690 1.00 0.00 H new ATOM 0 HB3 ASN A 89 13.810 -0.003 -3.930 1.00 0.00 H new ATOM 0 HD21 ASN A 89 10.085 0.009 -5.075 1.00 0.00 H new ATOM 0 HD22 ASN A 89 10.947 1.072 -3.959 1.00 0.00 H new ATOM 1403 N PHE A 90 12.339 -3.539 -1.512 1.00 0.00 N ATOM 1404 CA PHE A 90 11.268 -4.339 -0.877 1.00 0.00 C ATOM 1405 C PHE A 90 10.945 -3.871 0.545 1.00 0.00 C ATOM 1406 O PHE A 90 9.791 -3.568 0.867 1.00 0.00 O ATOM 1407 CB PHE A 90 11.696 -5.822 -0.868 1.00 0.00 C ATOM 1408 CG PHE A 90 10.658 -6.782 -0.304 1.00 0.00 C ATOM 1409 CD1 PHE A 90 9.410 -6.919 -0.910 1.00 0.00 C ATOM 1410 CD2 PHE A 90 10.943 -7.567 0.803 1.00 0.00 C ATOM 1411 CE1 PHE A 90 8.488 -7.815 -0.414 1.00 0.00 C ATOM 1412 CE2 PHE A 90 10.017 -8.452 1.297 1.00 0.00 C ATOM 1413 CZ PHE A 90 8.789 -8.583 0.691 1.00 0.00 C ATOM 0 H PHE A 90 13.144 -4.099 -1.792 1.00 0.00 H new ATOM 0 HA PHE A 90 10.357 -4.207 -1.460 1.00 0.00 H new ATOM 0 HB2 PHE A 90 11.933 -6.124 -1.888 1.00 0.00 H new ATOM 0 HB3 PHE A 90 12.613 -5.918 -0.286 1.00 0.00 H new ATOM 0 HD1 PHE A 90 9.164 -6.319 -1.774 1.00 0.00 H new ATOM 0 HD2 PHE A 90 11.907 -7.481 1.283 1.00 0.00 H new ATOM 0 HE1 PHE A 90 7.525 -7.916 -0.893 1.00 0.00 H new ATOM 0 HE2 PHE A 90 10.254 -9.048 2.166 1.00 0.00 H new ATOM 0 HZ PHE A 90 8.064 -9.284 1.079 1.00 0.00 H new ATOM 1423 N LEU A 91 11.988 -3.793 1.377 1.00 0.00 N ATOM 1424 CA LEU A 91 11.852 -3.448 2.798 1.00 0.00 C ATOM 1425 C LEU A 91 11.578 -1.934 2.985 1.00 0.00 C ATOM 1426 O LEU A 91 11.342 -1.483 4.108 1.00 0.00 O ATOM 1427 CB LEU A 91 13.106 -3.901 3.595 1.00 0.00 C ATOM 1428 CG LEU A 91 13.378 -5.452 3.687 1.00 0.00 C ATOM 1429 CD1 LEU A 91 12.099 -6.234 4.086 1.00 0.00 C ATOM 1430 CD2 LEU A 91 14.014 -6.020 2.388 1.00 0.00 C ATOM 0 H LEU A 91 12.950 -3.967 1.086 1.00 0.00 H new ATOM 0 HA LEU A 91 10.991 -3.984 3.196 1.00 0.00 H new ATOM 0 HB2 LEU A 91 13.980 -3.430 3.146 1.00 0.00 H new ATOM 0 HB3 LEU A 91 13.021 -3.512 4.610 1.00 0.00 H new ATOM 0 HG LEU A 91 14.111 -5.594 4.481 1.00 0.00 H new ATOM 0 HD11 LEU A 91 12.325 -7.299 4.139 1.00 0.00 H new ATOM 0 HD12 LEU A 91 11.750 -5.888 5.059 1.00 0.00 H new ATOM 0 HD13 LEU A 91 11.322 -6.065 3.341 1.00 0.00 H new ATOM 0 HD21 LEU A 91 14.181 -7.091 2.503 1.00 0.00 H new ATOM 0 HD22 LEU A 91 13.342 -5.846 1.548 1.00 0.00 H new ATOM 0 HD23 LEU A 91 14.966 -5.522 2.201 1.00 0.00 H new ATOM 1442 N ASP A 92 11.598 -1.171 1.870 1.00 0.00 N ATOM 1443 CA ASP A 92 11.223 0.257 1.851 1.00 0.00 C ATOM 1444 C ASP A 92 9.792 0.419 1.306 1.00 0.00 C ATOM 1445 O ASP A 92 9.428 -0.196 0.295 1.00 0.00 O ATOM 1446 CB ASP A 92 12.212 1.069 0.972 1.00 0.00 C ATOM 1447 CG ASP A 92 13.645 1.072 1.533 1.00 0.00 C ATOM 1448 OD1 ASP A 92 14.388 0.091 1.293 1.00 0.00 O ATOM 1449 OD2 ASP A 92 14.031 2.035 2.240 1.00 0.00 O ATOM 0 H ASP A 92 11.876 -1.531 0.957 1.00 0.00 H new ATOM 0 HA ASP A 92 11.266 0.638 2.871 1.00 0.00 H new ATOM 0 HB2 ASP A 92 12.222 0.652 -0.035 1.00 0.00 H new ATOM 0 HB3 ASP A 92 11.857 2.096 0.888 1.00 0.00 H new ATOM 1454 N LYS A 93 8.977 1.238 1.988 1.00 0.00 N ATOM 1455 CA LYS A 93 7.631 1.620 1.512 1.00 0.00 C ATOM 1456 C LYS A 93 7.720 2.906 0.651 1.00 0.00 C ATOM 1457 O LYS A 93 8.786 3.531 0.560 1.00 0.00 O ATOM 1458 CB LYS A 93 6.678 1.815 2.725 1.00 0.00 C ATOM 1459 CG LYS A 93 7.127 2.903 3.734 1.00 0.00 C ATOM 1460 CD LYS A 93 6.223 3.003 4.995 1.00 0.00 C ATOM 1461 CE LYS A 93 6.317 1.779 5.919 1.00 0.00 C ATOM 1462 NZ LYS A 93 7.694 1.595 6.442 1.00 0.00 N ATOM 0 H LYS A 93 9.228 1.656 2.884 1.00 0.00 H new ATOM 0 HA LYS A 93 7.225 0.824 0.887 1.00 0.00 H new ATOM 0 HB2 LYS A 93 5.686 2.071 2.353 1.00 0.00 H new ATOM 0 HB3 LYS A 93 6.585 0.866 3.253 1.00 0.00 H new ATOM 0 HG2 LYS A 93 8.150 2.694 4.048 1.00 0.00 H new ATOM 0 HG3 LYS A 93 7.139 3.869 3.230 1.00 0.00 H new ATOM 0 HD2 LYS A 93 6.497 3.895 5.558 1.00 0.00 H new ATOM 0 HD3 LYS A 93 5.187 3.131 4.680 1.00 0.00 H new ATOM 0 HE2 LYS A 93 5.623 1.897 6.752 1.00 0.00 H new ATOM 0 HE3 LYS A 93 6.012 0.886 5.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 7.688 0.870 7.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 8.321 1.292 5.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 8.039 2.494 6.835 1.00 0.00 H new ATOM 1476 N GLN A 94 6.598 3.289 0.021 1.00 0.00 N ATOM 1477 CA GLN A 94 6.521 4.460 -0.889 1.00 0.00 C ATOM 1478 C GLN A 94 5.305 5.344 -0.542 1.00 0.00 C ATOM 1479 O GLN A 94 4.918 6.218 -1.324 1.00 0.00 O ATOM 1480 CB GLN A 94 6.497 4.009 -2.392 1.00 0.00 C ATOM 1481 CG GLN A 94 5.370 3.032 -2.810 1.00 0.00 C ATOM 1482 CD GLN A 94 5.513 1.639 -2.196 1.00 0.00 C ATOM 1483 OE1 GLN A 94 4.945 1.351 -1.153 1.00 0.00 O ATOM 1484 NE2 GLN A 94 6.331 0.797 -2.805 1.00 0.00 N ATOM 0 H GLN A 94 5.710 2.797 0.124 1.00 0.00 H new ATOM 0 HA GLN A 94 7.419 5.061 -0.746 1.00 0.00 H new ATOM 0 HB2 GLN A 94 6.421 4.901 -3.013 1.00 0.00 H new ATOM 0 HB3 GLN A 94 7.454 3.541 -2.622 1.00 0.00 H new ATOM 0 HG2 GLN A 94 4.408 3.453 -2.517 1.00 0.00 H new ATOM 0 HG3 GLN A 94 5.362 2.943 -3.896 1.00 0.00 H new ATOM 0 HE21 GLN A 94 6.789 1.070 -3.675 1.00 0.00 H new ATOM 0 HE22 GLN A 94 6.504 -0.125 -2.405 1.00 0.00 H new ATOM 1493 N ASN A 95 4.741 5.111 0.653 1.00 0.00 N ATOM 1494 CA ASN A 95 3.628 5.899 1.214 1.00 0.00 C ATOM 1495 C ASN A 95 3.546 5.636 2.728 1.00 0.00 C ATOM 1496 O ASN A 95 4.492 5.079 3.292 1.00 0.00 O ATOM 1497 CB ASN A 95 2.288 5.574 0.474 1.00 0.00 C ATOM 1498 CG ASN A 95 1.851 4.108 0.539 1.00 0.00 C ATOM 1499 OD1 ASN A 95 2.052 3.415 1.532 1.00 0.00 O ATOM 1500 ND2 ASN A 95 1.240 3.626 -0.523 1.00 0.00 N ATOM 0 H ASN A 95 5.049 4.358 1.268 1.00 0.00 H new ATOM 0 HA ASN A 95 3.808 6.963 1.062 1.00 0.00 H new ATOM 0 HB2 ASN A 95 1.497 6.192 0.899 1.00 0.00 H new ATOM 0 HB3 ASN A 95 2.390 5.861 -0.573 1.00 0.00 H new ATOM 0 HD21 ASN A 95 0.922 2.657 -0.533 1.00 0.00 H new ATOM 0 HD22 ASN A 95 1.085 4.222 -1.336 1.00 0.00 H new ATOM 1507 N ARG A 96 2.429 6.029 3.364 1.00 0.00 N ATOM 1508 CA ARG A 96 2.223 5.871 4.823 1.00 0.00 C ATOM 1509 C ARG A 96 0.828 6.369 5.208 1.00 0.00 C ATOM 1510 O ARG A 96 0.071 5.677 5.887 1.00 0.00 O ATOM 1511 CB ARG A 96 3.264 6.687 5.638 1.00 0.00 C ATOM 1512 CG ARG A 96 3.120 6.606 7.179 1.00 0.00 C ATOM 1513 CD ARG A 96 3.915 7.709 7.901 1.00 0.00 C ATOM 1514 NE ARG A 96 5.340 7.712 7.516 1.00 0.00 N ATOM 1515 CZ ARG A 96 6.300 8.498 8.054 1.00 0.00 C ATOM 1516 NH1 ARG A 96 6.004 9.381 9.012 1.00 0.00 N ATOM 1517 NH2 ARG A 96 7.553 8.383 7.634 1.00 0.00 N ATOM 0 H ARG A 96 1.641 6.466 2.886 1.00 0.00 H new ATOM 0 HA ARG A 96 2.336 4.812 5.054 1.00 0.00 H new ATOM 0 HB2 ARG A 96 4.262 6.344 5.366 1.00 0.00 H new ATOM 0 HB3 ARG A 96 3.194 7.733 5.339 1.00 0.00 H new ATOM 0 HG2 ARG A 96 2.067 6.686 7.448 1.00 0.00 H new ATOM 0 HG3 ARG A 96 3.463 5.630 7.523 1.00 0.00 H new ATOM 0 HD2 ARG A 96 3.476 8.680 7.672 1.00 0.00 H new ATOM 0 HD3 ARG A 96 3.832 7.568 8.979 1.00 0.00 H new ATOM 0 HE ARG A 96 5.625 7.065 6.781 1.00 0.00 H new ATOM 0 HH11 ARG A 96 5.044 9.468 9.346 1.00 0.00 H new ATOM 0 HH12 ARG A 96 6.738 9.968 9.409 1.00 0.00 H new ATOM 0 HH21 ARG A 96 7.788 7.705 6.909 1.00 0.00 H new ATOM 0 HH22 ARG A 96 8.282 8.973 8.036 1.00 0.00 H new ATOM 1531 N GLU A 97 0.543 7.612 4.801 1.00 0.00 N ATOM 1532 CA GLU A 97 -0.649 8.351 5.237 1.00 0.00 C ATOM 1533 C GLU A 97 -1.186 9.243 4.094 1.00 0.00 C ATOM 1534 O GLU A 97 -0.498 10.166 3.634 1.00 0.00 O ATOM 1535 CB GLU A 97 -0.269 9.172 6.514 1.00 0.00 C ATOM 1536 CG GLU A 97 -1.423 9.908 7.234 1.00 0.00 C ATOM 1537 CD GLU A 97 -1.747 11.296 6.648 1.00 0.00 C ATOM 1538 OE1 GLU A 97 -1.002 12.264 6.928 1.00 0.00 O ATOM 1539 OE2 GLU A 97 -2.728 11.426 5.913 1.00 0.00 O ATOM 0 H GLU A 97 1.135 8.136 4.157 1.00 0.00 H new ATOM 0 HA GLU A 97 -1.459 7.666 5.489 1.00 0.00 H new ATOM 0 HB2 GLU A 97 0.200 8.494 7.227 1.00 0.00 H new ATOM 0 HB3 GLU A 97 0.483 9.910 6.233 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -2.319 9.288 7.189 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -1.166 10.021 8.287 1.00 0.00 H new ATOM 1546 N GLU A 98 -2.410 8.925 3.630 1.00 0.00 N ATOM 1547 CA GLU A 98 -3.173 9.722 2.651 1.00 0.00 C ATOM 1548 C GLU A 98 -4.345 10.437 3.359 1.00 0.00 C ATOM 1549 O GLU A 98 -4.871 9.927 4.340 1.00 0.00 O ATOM 1550 CB GLU A 98 -3.710 8.773 1.538 1.00 0.00 C ATOM 1551 CG GLU A 98 -4.656 9.422 0.506 1.00 0.00 C ATOM 1552 CD GLU A 98 -4.041 10.606 -0.247 1.00 0.00 C ATOM 1553 OE1 GLU A 98 -2.997 10.429 -0.901 1.00 0.00 O ATOM 1554 OE2 GLU A 98 -4.604 11.716 -0.196 1.00 0.00 O ATOM 0 H GLU A 98 -2.907 8.087 3.933 1.00 0.00 H new ATOM 0 HA GLU A 98 -2.528 10.477 2.202 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -2.859 8.348 1.006 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -4.235 7.945 2.014 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -4.963 8.665 -0.216 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -5.558 9.759 1.017 1.00 0.00 H new ATOM 1561 N THR A 99 -4.727 11.630 2.875 1.00 0.00 N ATOM 1562 CA THR A 99 -5.934 12.341 3.336 1.00 0.00 C ATOM 1563 C THR A 99 -6.686 12.924 2.139 1.00 0.00 C ATOM 1564 O THR A 99 -6.149 13.773 1.423 1.00 0.00 O ATOM 1565 CB THR A 99 -5.614 13.499 4.348 1.00 0.00 C ATOM 1566 OG1 THR A 99 -5.003 12.956 5.523 1.00 0.00 O ATOM 1567 CG2 THR A 99 -6.878 14.286 4.773 1.00 0.00 C ATOM 0 H THR A 99 -4.209 12.130 2.153 1.00 0.00 H new ATOM 0 HA THR A 99 -6.547 11.606 3.857 1.00 0.00 H new ATOM 0 HB THR A 99 -4.942 14.188 3.837 1.00 0.00 H new ATOM 0 HG1 THR A 99 -4.187 12.473 5.274 1.00 0.00 H new ATOM 0 HG21 THR A 99 -6.598 15.074 5.472 1.00 0.00 H new ATOM 0 HG22 THR A 99 -7.343 14.730 3.893 1.00 0.00 H new ATOM 0 HG23 THR A 99 -7.584 13.609 5.253 1.00 0.00 H new ATOM 1575 N VAL A 100 -7.927 12.465 1.933 1.00 0.00 N ATOM 1576 CA VAL A 100 -8.848 13.108 0.995 1.00 0.00 C ATOM 1577 C VAL A 100 -9.583 14.234 1.754 1.00 0.00 C ATOM 1578 O VAL A 100 -9.896 14.091 2.959 1.00 0.00 O ATOM 1579 CB VAL A 100 -9.886 12.082 0.364 1.00 0.00 C ATOM 1580 CG1 VAL A 100 -9.266 10.678 0.194 1.00 0.00 C ATOM 1581 CG2 VAL A 100 -11.214 11.998 1.147 1.00 0.00 C ATOM 0 H VAL A 100 -8.314 11.649 2.406 1.00 0.00 H new ATOM 0 HA VAL A 100 -8.279 13.513 0.158 1.00 0.00 H new ATOM 0 HB VAL A 100 -10.127 12.478 -0.623 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -10.005 10.004 -0.240 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -8.400 10.740 -0.465 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -8.955 10.297 1.167 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -11.877 11.280 0.663 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -11.014 11.676 2.169 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -11.690 12.978 1.162 1.00 0.00 H new ATOM 1591 N ILE A 101 -9.816 15.361 1.081 1.00 0.00 N ATOM 1592 CA ILE A 101 -10.661 16.441 1.611 1.00 0.00 C ATOM 1593 C ILE A 101 -11.937 16.536 0.764 1.00 0.00 C ATOM 1594 O ILE A 101 -11.864 16.684 -0.461 1.00 0.00 O ATOM 1595 CB ILE A 101 -9.886 17.816 1.630 1.00 0.00 C ATOM 1596 CG1 ILE A 101 -8.726 17.789 2.681 1.00 0.00 C ATOM 1597 CG2 ILE A 101 -10.820 19.015 1.859 1.00 0.00 C ATOM 1598 CD1 ILE A 101 -9.162 17.596 4.130 1.00 0.00 C ATOM 0 H ILE A 101 -9.428 15.554 0.158 1.00 0.00 H new ATOM 0 HA ILE A 101 -10.929 16.214 2.643 1.00 0.00 H new ATOM 0 HB ILE A 101 -9.448 17.949 0.641 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -8.037 16.987 2.416 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -8.170 18.724 2.608 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -10.236 19.935 1.863 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -11.560 19.058 1.059 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -11.328 18.903 2.817 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -8.284 17.592 4.777 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -9.824 18.411 4.422 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -9.689 16.647 4.228 1.00 0.00 H new ATOM 1610 N TYR A 102 -13.089 16.356 1.432 1.00 0.00 N ATOM 1611 CA TYR A 102 -14.415 16.590 0.849 1.00 0.00 C ATOM 1612 C TYR A 102 -14.727 18.086 0.875 1.00 0.00 C ATOM 1613 O TYR A 102 -14.816 18.684 1.947 1.00 0.00 O ATOM 1614 CB TYR A 102 -15.511 15.795 1.613 1.00 0.00 C ATOM 1615 CG TYR A 102 -15.563 14.300 1.274 1.00 0.00 C ATOM 1616 CD1 TYR A 102 -14.800 13.364 1.974 1.00 0.00 C ATOM 1617 CD2 TYR A 102 -16.370 13.832 0.240 1.00 0.00 C ATOM 1618 CE1 TYR A 102 -14.844 12.022 1.652 1.00 0.00 C ATOM 1619 CE2 TYR A 102 -16.415 12.492 -0.083 1.00 0.00 C ATOM 1620 CZ TYR A 102 -15.652 11.590 0.624 1.00 0.00 C ATOM 1621 OH TYR A 102 -15.697 10.251 0.293 1.00 0.00 O ATOM 0 H TYR A 102 -13.123 16.041 2.401 1.00 0.00 H new ATOM 0 HA TYR A 102 -14.409 16.239 -0.183 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -15.343 15.906 2.684 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -16.483 16.238 1.395 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -14.164 13.695 2.782 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -16.972 14.532 -0.320 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -14.246 11.313 2.205 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -17.048 12.151 -0.889 1.00 0.00 H new ATOM 0 HH TYR A 102 -16.604 9.909 0.436 1.00 0.00 H new ATOM 1631 N SER A 103 -14.904 18.683 -0.303 1.00 0.00 N ATOM 1632 CA SER A 103 -15.248 20.096 -0.432 1.00 0.00 C ATOM 1633 C SER A 103 -16.680 20.198 -0.953 1.00 0.00 C ATOM 1634 O SER A 103 -17.189 19.246 -1.557 1.00 0.00 O ATOM 1635 CB SER A 103 -14.260 20.806 -1.376 1.00 0.00 C ATOM 1636 OG SER A 103 -14.319 20.269 -2.690 1.00 0.00 O ATOM 0 H SER A 103 -14.812 18.198 -1.196 1.00 0.00 H new ATOM 0 HA SER A 103 -15.180 20.589 0.538 1.00 0.00 H new ATOM 0 HB2 SER A 103 -14.486 21.872 -1.407 1.00 0.00 H new ATOM 0 HB3 SER A 103 -13.247 20.706 -0.986 1.00 0.00 H new ATOM 0 HG SER A 103 -13.682 20.742 -3.265 1.00 0.00 H new ATOM 1642 N ALA A 104 -17.315 21.349 -0.719 1.00 0.00 N ATOM 1643 CA ALA A 104 -18.709 21.592 -1.114 1.00 0.00 C ATOM 1644 C ALA A 104 -18.861 21.518 -2.654 1.00 0.00 C ATOM 1645 O ALA A 104 -18.239 22.297 -3.380 1.00 0.00 O ATOM 1646 CB ALA A 104 -19.160 22.944 -0.555 1.00 0.00 C ATOM 0 H ALA A 104 -16.878 22.142 -0.249 1.00 0.00 H new ATOM 0 HA ALA A 104 -19.352 20.817 -0.698 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -20.194 23.131 -0.845 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -19.084 22.932 0.532 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -18.523 23.733 -0.954 1.00 0.00 H new ATOM 1652 N ASN A 105 -19.694 20.571 -3.125 1.00 0.00 N ATOM 1653 CA ASN A 105 -19.763 20.164 -4.549 1.00 0.00 C ATOM 1654 C ASN A 105 -20.501 21.197 -5.436 1.00 0.00 C ATOM 1655 O ASN A 105 -20.824 22.307 -4.996 1.00 0.00 O ATOM 1656 CB ASN A 105 -20.450 18.764 -4.653 1.00 0.00 C ATOM 1657 CG ASN A 105 -21.966 18.789 -4.399 1.00 0.00 C ATOM 1658 OD1 ASN A 105 -22.485 19.659 -3.699 1.00 0.00 O ATOM 1659 ND2 ASN A 105 -22.679 17.837 -4.968 1.00 0.00 N ATOM 0 H ASN A 105 -20.344 20.061 -2.527 1.00 0.00 H new ATOM 0 HA ASN A 105 -18.742 20.110 -4.926 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -20.265 18.353 -5.646 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -19.983 18.088 -3.937 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -23.690 17.807 -4.834 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -22.220 17.130 -5.542 1.00 0.00 H new ATOM 1666 N THR A 106 -20.791 20.769 -6.680 1.00 0.00 N ATOM 1667 CA THR A 106 -21.430 21.574 -7.736 1.00 0.00 C ATOM 1668 C THR A 106 -22.740 22.291 -7.300 1.00 0.00 C ATOM 1669 O THR A 106 -23.121 23.275 -7.924 1.00 0.00 O ATOM 1670 CB THR A 106 -21.724 20.673 -8.982 1.00 0.00 C ATOM 1671 OG1 THR A 106 -22.147 21.471 -10.100 1.00 0.00 O ATOM 1672 CG2 THR A 106 -22.797 19.606 -8.683 1.00 0.00 C ATOM 0 H THR A 106 -20.579 19.820 -6.987 1.00 0.00 H new ATOM 0 HA THR A 106 -20.718 22.363 -7.976 1.00 0.00 H new ATOM 0 HB THR A 106 -20.793 20.163 -9.228 1.00 0.00 H new ATOM 0 HG1 THR A 106 -22.476 20.886 -10.814 1.00 0.00 H new ATOM 0 HG21 THR A 106 -22.970 19.004 -9.575 1.00 0.00 H new ATOM 0 HG22 THR A 106 -22.455 18.963 -7.872 1.00 0.00 H new ATOM 0 HG23 THR A 106 -23.726 20.096 -8.391 1.00 0.00 H new ATOM 1680 N ILE A 107 -23.408 21.803 -6.237 1.00 0.00 N ATOM 1681 CA ILE A 107 -24.695 22.364 -5.767 1.00 0.00 C ATOM 1682 C ILE A 107 -24.546 23.839 -5.330 1.00 0.00 C ATOM 1683 O ILE A 107 -25.386 24.690 -5.674 1.00 0.00 O ATOM 1684 CB ILE A 107 -25.282 21.489 -4.598 1.00 0.00 C ATOM 1685 CG1 ILE A 107 -25.513 20.018 -5.073 1.00 0.00 C ATOM 1686 CG2 ILE A 107 -26.583 22.091 -4.012 1.00 0.00 C ATOM 1687 CD1 ILE A 107 -26.413 19.861 -6.297 1.00 0.00 C ATOM 0 H ILE A 107 -23.076 21.015 -5.682 1.00 0.00 H new ATOM 0 HA ILE A 107 -25.394 22.341 -6.603 1.00 0.00 H new ATOM 0 HB ILE A 107 -24.544 21.485 -3.796 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -24.545 19.569 -5.294 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -25.946 19.451 -4.249 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -26.950 21.452 -3.209 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -26.378 23.087 -3.619 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -27.338 22.158 -4.795 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -26.509 18.804 -6.545 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -27.398 20.274 -6.080 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -25.975 20.393 -7.141 1.00 0.00 H new ATOM 1699 N THR A 108 -23.480 24.131 -4.575 1.00 0.00 N ATOM 1700 CA THR A 108 -23.150 25.505 -4.167 1.00 0.00 C ATOM 1701 C THR A 108 -22.314 26.217 -5.255 1.00 0.00 C ATOM 1702 O THR A 108 -22.338 27.453 -5.363 1.00 0.00 O ATOM 1703 CB THR A 108 -22.392 25.514 -2.807 1.00 0.00 C ATOM 1704 OG1 THR A 108 -22.101 26.864 -2.382 1.00 0.00 O ATOM 1705 CG2 THR A 108 -21.089 24.711 -2.882 1.00 0.00 C ATOM 0 H THR A 108 -22.825 23.429 -4.231 1.00 0.00 H new ATOM 0 HA THR A 108 -24.086 26.050 -4.041 1.00 0.00 H new ATOM 0 HB THR A 108 -23.049 25.043 -2.076 1.00 0.00 H new ATOM 0 HG1 THR A 108 -21.626 26.842 -1.525 1.00 0.00 H new ATOM 0 HG21 THR A 108 -20.588 24.740 -1.915 1.00 0.00 H new ATOM 0 HG22 THR A 108 -21.313 23.677 -3.144 1.00 0.00 H new ATOM 0 HG23 THR A 108 -20.438 25.144 -3.641 1.00 0.00 H new ATOM 1713 N GLN A 109 -21.579 25.423 -6.057 1.00 0.00 N ATOM 1714 CA GLN A 109 -20.717 25.931 -7.141 1.00 0.00 C ATOM 1715 C GLN A 109 -21.552 26.261 -8.388 1.00 0.00 C ATOM 1716 O GLN A 109 -22.722 25.897 -8.476 1.00 0.00 O ATOM 1717 CB GLN A 109 -19.623 24.879 -7.496 1.00 0.00 C ATOM 1718 CG GLN A 109 -18.760 24.420 -6.308 1.00 0.00 C ATOM 1719 CD GLN A 109 -17.981 25.557 -5.651 1.00 0.00 C ATOM 1720 OE1 GLN A 109 -18.471 26.217 -4.738 1.00 0.00 O ATOM 1721 NE2 GLN A 109 -16.761 25.786 -6.111 1.00 0.00 N ATOM 0 H GLN A 109 -21.567 24.407 -5.971 1.00 0.00 H new ATOM 0 HA GLN A 109 -20.233 26.845 -6.795 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -20.107 24.006 -7.934 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -18.970 25.299 -8.261 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -19.401 23.950 -5.562 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -18.059 23.659 -6.650 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -16.387 25.217 -6.871 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -16.195 26.531 -5.706 1.00 0.00 H new ATOM 1730 N ASN A 110 -20.944 26.968 -9.343 1.00 0.00 N ATOM 1731 CA ASN A 110 -21.534 27.191 -10.675 1.00 0.00 C ATOM 1732 C ASN A 110 -20.934 26.150 -11.636 1.00 0.00 C ATOM 1733 O ASN A 110 -19.729 26.174 -11.908 1.00 0.00 O ATOM 1734 CB ASN A 110 -21.312 28.659 -11.154 1.00 0.00 C ATOM 1735 CG ASN A 110 -19.851 29.113 -11.148 1.00 0.00 C ATOM 1736 OD1 ASN A 110 -19.157 29.050 -12.165 1.00 0.00 O ATOM 1737 ND2 ASN A 110 -19.368 29.545 -9.993 1.00 0.00 N ATOM 0 H ASN A 110 -20.030 27.404 -9.220 1.00 0.00 H new ATOM 0 HA ASN A 110 -22.616 27.060 -10.643 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -21.707 28.762 -12.165 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -21.890 29.328 -10.516 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -18.393 29.839 -9.926 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -19.971 29.584 -9.171 1.00 0.00 H new ATOM 1744 N LYS A 111 -21.790 25.183 -12.069 1.00 0.00 N ATOM 1745 CA LYS A 111 -21.422 24.071 -12.987 1.00 0.00 C ATOM 1746 C LYS A 111 -20.461 23.063 -12.319 1.00 0.00 C ATOM 1747 O LYS A 111 -20.059 23.237 -11.158 1.00 0.00 O ATOM 1748 CB LYS A 111 -20.831 24.634 -14.311 1.00 0.00 C ATOM 1749 CG LYS A 111 -21.784 25.597 -15.065 1.00 0.00 C ATOM 1750 CD LYS A 111 -21.037 26.561 -16.007 1.00 0.00 C ATOM 1751 CE LYS A 111 -21.979 27.533 -16.723 1.00 0.00 C ATOM 1752 NZ LYS A 111 -21.239 28.577 -17.485 1.00 0.00 N ATOM 0 H LYS A 111 -22.769 25.155 -11.785 1.00 0.00 H new ATOM 0 HA LYS A 111 -22.332 23.521 -13.226 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -19.902 25.159 -14.088 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -20.578 23.801 -14.967 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -22.500 25.013 -15.644 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -22.356 26.176 -14.340 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -20.304 27.128 -15.434 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -20.485 25.983 -16.748 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -22.623 26.977 -17.404 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -22.629 28.012 -15.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -21.917 29.212 -17.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -20.644 29.126 -16.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -20.638 28.123 -18.202 1.00 0.00 H new ATOM 1766 N LYS A 112 -20.122 21.983 -13.043 1.00 0.00 N ATOM 1767 CA LYS A 112 -19.211 20.929 -12.543 1.00 0.00 C ATOM 1768 C LYS A 112 -18.067 20.660 -13.535 1.00 0.00 C ATOM 1769 O LYS A 112 -16.900 20.588 -13.142 1.00 0.00 O ATOM 1770 CB LYS A 112 -20.012 19.626 -12.243 1.00 0.00 C ATOM 1771 CG LYS A 112 -20.864 19.078 -13.419 1.00 0.00 C ATOM 1772 CD LYS A 112 -21.570 17.740 -13.101 1.00 0.00 C ATOM 1773 CE LYS A 112 -22.656 17.867 -12.024 1.00 0.00 C ATOM 1774 NZ LYS A 112 -23.790 18.741 -12.445 1.00 0.00 N ATOM 0 H LYS A 112 -20.468 21.813 -13.987 1.00 0.00 H new ATOM 0 HA LYS A 112 -18.759 21.280 -11.615 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -19.310 18.852 -11.935 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -20.672 19.813 -11.396 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -21.615 19.820 -13.689 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -20.222 18.943 -14.289 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -22.018 17.348 -14.014 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -20.826 17.014 -12.773 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -23.038 16.875 -11.782 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -22.212 18.269 -11.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -24.546 18.697 -11.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -23.457 19.722 -12.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -24.159 18.414 -13.361 1.00 0.00 H new ATOM 1788 N ASP A 113 -18.416 20.514 -14.821 1.00 0.00 N ATOM 1789 CA ASP A 113 -17.460 20.180 -15.886 1.00 0.00 C ATOM 1790 C ASP A 113 -16.691 21.429 -16.335 1.00 0.00 C ATOM 1791 O ASP A 113 -17.256 22.302 -16.996 1.00 0.00 O ATOM 1792 CB ASP A 113 -18.193 19.549 -17.096 1.00 0.00 C ATOM 1793 CG ASP A 113 -18.931 18.245 -16.759 1.00 0.00 C ATOM 1794 OD1 ASP A 113 -18.265 17.207 -16.548 1.00 0.00 O ATOM 1795 OD2 ASP A 113 -20.180 18.245 -16.714 1.00 0.00 O ATOM 0 H ASP A 113 -19.374 20.625 -15.153 1.00 0.00 H new ATOM 0 HA ASP A 113 -16.749 19.456 -15.487 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -18.909 20.269 -17.492 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -17.468 19.352 -17.886 1.00 0.00 H new ATOM 1800 N GLY A 114 -15.407 21.501 -15.976 1.00 0.00 N ATOM 1801 CA GLY A 114 -14.534 22.625 -16.355 1.00 0.00 C ATOM 1802 C GLY A 114 -13.150 22.165 -16.785 1.00 0.00 C ATOM 1803 O GLY A 114 -12.222 22.969 -16.868 1.00 0.00 O ATOM 0 H GLY A 114 -14.940 20.787 -15.417 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -14.997 23.183 -17.169 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -14.441 23.309 -15.512 1.00 0.00 H new ATOM 1807 N LEU A 115 -13.016 20.860 -17.058 1.00 0.00 N ATOM 1808 CA LEU A 115 -11.732 20.229 -17.405 1.00 0.00 C ATOM 1809 C LEU A 115 -11.495 20.339 -18.927 1.00 0.00 C ATOM 1810 O LEU A 115 -10.505 20.938 -19.359 1.00 0.00 O ATOM 1811 CB LEU A 115 -11.756 18.752 -16.919 1.00 0.00 C ATOM 1812 CG LEU A 115 -12.095 18.573 -15.398 1.00 0.00 C ATOM 1813 CD1 LEU A 115 -12.312 17.094 -15.027 1.00 0.00 C ATOM 1814 CD2 LEU A 115 -11.017 19.219 -14.497 1.00 0.00 C ATOM 0 H LEU A 115 -13.799 20.207 -17.045 1.00 0.00 H new ATOM 0 HA LEU A 115 -10.903 20.737 -16.911 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -12.488 18.201 -17.509 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -10.783 18.302 -17.117 1.00 0.00 H new ATOM 0 HG LEU A 115 -13.035 19.095 -15.220 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -12.544 17.016 -13.965 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -13.140 16.690 -15.610 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -11.406 16.528 -15.243 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -11.284 19.076 -13.450 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -10.052 18.752 -14.692 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -10.954 20.286 -14.713 1.00 0.00 H new ATOM 1826 N GLU A 116 -12.465 19.796 -19.704 1.00 0.00 N ATOM 1827 CA GLU A 116 -12.494 19.799 -21.193 1.00 0.00 C ATOM 1828 C GLU A 116 -11.274 19.080 -21.808 1.00 0.00 C ATOM 1829 O GLU A 116 -11.382 17.973 -22.334 1.00 0.00 O ATOM 1830 CB GLU A 116 -12.596 21.248 -21.764 1.00 0.00 C ATOM 1831 CG GLU A 116 -12.711 21.321 -23.307 1.00 0.00 C ATOM 1832 CD GLU A 116 -12.329 22.694 -23.885 1.00 0.00 C ATOM 1833 OE1 GLU A 116 -11.119 22.995 -23.951 1.00 0.00 O ATOM 1834 OE2 GLU A 116 -13.228 23.483 -24.247 1.00 0.00 O ATOM 0 H GLU A 116 -13.277 19.328 -19.301 1.00 0.00 H new ATOM 0 HA GLU A 116 -13.389 19.245 -21.476 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -13.464 21.739 -21.324 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -11.718 21.812 -21.450 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -12.069 20.558 -23.748 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -13.734 21.084 -23.599 1.00 0.00 H new ATOM 1841 N HIS A 117 -10.138 19.774 -21.769 1.00 0.00 N ATOM 1842 CA HIS A 117 -8.847 19.296 -22.265 1.00 0.00 C ATOM 1843 C HIS A 117 -8.109 18.529 -21.154 1.00 0.00 C ATOM 1844 O HIS A 117 -7.977 19.043 -20.040 1.00 0.00 O ATOM 1845 CB HIS A 117 -8.005 20.495 -22.799 1.00 0.00 C ATOM 1846 CG HIS A 117 -8.000 21.741 -21.927 1.00 0.00 C ATOM 1847 ND1 HIS A 117 -8.613 22.916 -22.301 1.00 0.00 N ATOM 1848 CD2 HIS A 117 -7.463 21.986 -20.704 1.00 0.00 C ATOM 1849 CE1 HIS A 117 -8.438 23.823 -21.365 1.00 0.00 C ATOM 1850 NE2 HIS A 117 -7.746 23.287 -20.384 1.00 0.00 N ATOM 0 H HIS A 117 -10.088 20.715 -21.379 1.00 0.00 H new ATOM 0 HA HIS A 117 -9.006 18.607 -23.094 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -6.975 20.162 -22.930 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -8.380 20.767 -23.786 1.00 0.00 H new ATOM 0 HD1 HIS A 117 -9.125 23.061 -23.171 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -6.913 21.283 -20.095 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -8.802 24.839 -21.397 1.00 0.00 H new ATOM 1859 N HIS A 118 -7.658 17.293 -21.468 1.00 0.00 N ATOM 1860 CA HIS A 118 -6.933 16.391 -20.536 1.00 0.00 C ATOM 1861 C HIS A 118 -7.827 15.878 -19.383 1.00 0.00 C ATOM 1862 O HIS A 118 -8.641 16.622 -18.816 1.00 0.00 O ATOM 1863 CB HIS A 118 -5.629 17.035 -19.982 1.00 0.00 C ATOM 1864 CG HIS A 118 -4.557 17.240 -21.018 1.00 0.00 C ATOM 1865 ND1 HIS A 118 -4.082 18.481 -21.381 1.00 0.00 N ATOM 1866 CD2 HIS A 118 -3.857 16.346 -21.761 1.00 0.00 C ATOM 1867 CE1 HIS A 118 -3.147 18.347 -22.298 1.00 0.00 C ATOM 1868 NE2 HIS A 118 -2.989 17.065 -22.546 1.00 0.00 N ATOM 0 H HIS A 118 -7.789 16.884 -22.393 1.00 0.00 H new ATOM 0 HA HIS A 118 -6.646 15.525 -21.132 1.00 0.00 H new ATOM 0 HB2 HIS A 118 -5.874 17.997 -19.533 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -5.234 16.403 -19.186 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -3.963 15.271 -21.739 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -2.602 19.153 -22.767 1.00 0.00 H new ATOM 0 HE2 HIS A 118 -2.328 16.668 -23.214 1.00 0.00 H new ATOM 1877 N HIS A 119 -7.668 14.584 -19.047 1.00 0.00 N ATOM 1878 CA HIS A 119 -8.437 13.925 -17.980 1.00 0.00 C ATOM 1879 C HIS A 119 -7.740 12.636 -17.538 1.00 0.00 C ATOM 1880 O HIS A 119 -7.038 11.990 -18.331 1.00 0.00 O ATOM 1881 CB HIS A 119 -9.901 13.636 -18.418 1.00 0.00 C ATOM 1882 CG HIS A 119 -10.076 12.742 -19.630 1.00 0.00 C ATOM 1883 ND1 HIS A 119 -11.091 11.814 -19.735 1.00 0.00 N ATOM 1884 CD2 HIS A 119 -9.423 12.699 -20.822 1.00 0.00 C ATOM 1885 CE1 HIS A 119 -11.055 11.254 -20.927 1.00 0.00 C ATOM 1886 NE2 HIS A 119 -10.053 11.768 -21.607 1.00 0.00 N ATOM 0 H HIS A 119 -7.001 13.967 -19.510 1.00 0.00 H new ATOM 0 HA HIS A 119 -8.480 14.609 -17.133 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -10.426 13.180 -17.578 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -10.391 14.588 -18.621 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -8.564 13.291 -21.100 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -11.736 10.497 -21.287 1.00 0.00 H new ATOM 0 HE2 HIS A 119 -9.789 11.516 -22.559 1.00 0.00 H new ATOM 1895 N HIS A 120 -7.976 12.267 -16.270 1.00 0.00 N ATOM 1896 CA HIS A 120 -7.322 11.124 -15.603 1.00 0.00 C ATOM 1897 C HIS A 120 -7.778 9.767 -16.198 1.00 0.00 C ATOM 1898 O HIS A 120 -7.078 8.769 -16.030 1.00 0.00 O ATOM 1899 CB HIS A 120 -7.607 11.193 -14.074 1.00 0.00 C ATOM 1900 CG HIS A 120 -6.799 10.222 -13.256 1.00 0.00 C ATOM 1901 ND1 HIS A 120 -7.360 9.290 -12.415 1.00 0.00 N ATOM 1902 CD2 HIS A 120 -5.460 10.052 -13.158 1.00 0.00 C ATOM 1903 CE1 HIS A 120 -6.408 8.589 -11.845 1.00 0.00 C ATOM 1904 NE2 HIS A 120 -5.248 9.027 -12.276 1.00 0.00 N ATOM 0 H HIS A 120 -8.636 12.760 -15.668 1.00 0.00 H new ATOM 0 HA HIS A 120 -6.248 11.190 -15.774 1.00 0.00 H new ATOM 0 HB2 HIS A 120 -7.405 12.205 -13.722 1.00 0.00 H new ATOM 0 HB3 HIS A 120 -8.667 11.002 -13.903 1.00 0.00 H new ATOM 0 HD2 HIS A 120 -4.702 10.618 -13.678 1.00 0.00 H new ATOM 0 HE1 HIS A 120 -6.555 7.785 -11.139 1.00 0.00 H new ATOM 0 HE2 HIS A 120 -4.337 8.663 -11.999 1.00 0.00 H new ATOM 1913 N HIS A 121 -8.934 9.782 -16.917 1.00 0.00 N ATOM 1914 CA HIS A 121 -9.577 8.604 -17.564 1.00 0.00 C ATOM 1915 C HIS A 121 -10.299 7.746 -16.505 1.00 0.00 C ATOM 1916 O HIS A 121 -9.653 7.068 -15.704 1.00 0.00 O ATOM 1917 CB HIS A 121 -8.590 7.736 -18.411 1.00 0.00 C ATOM 1918 CG HIS A 121 -7.800 8.498 -19.448 1.00 0.00 C ATOM 1919 ND1 HIS A 121 -6.423 8.559 -19.446 1.00 0.00 N ATOM 1920 CD2 HIS A 121 -8.194 9.217 -20.524 1.00 0.00 C ATOM 1921 CE1 HIS A 121 -6.010 9.280 -20.469 1.00 0.00 C ATOM 1922 NE2 HIS A 121 -7.062 9.691 -21.137 1.00 0.00 N ATOM 0 H HIS A 121 -9.461 10.642 -17.067 1.00 0.00 H new ATOM 0 HA HIS A 121 -10.305 8.997 -18.273 1.00 0.00 H new ATOM 0 HB2 HIS A 121 -7.892 7.242 -17.735 1.00 0.00 H new ATOM 0 HB3 HIS A 121 -9.158 6.952 -18.912 1.00 0.00 H new ATOM 0 HD2 HIS A 121 -9.212 9.387 -20.842 1.00 0.00 H new ATOM 0 HE1 HIS A 121 -4.981 9.496 -20.716 1.00 0.00 H new ATOM 0 HE2 HIS A 121 -7.041 10.270 -21.977 1.00 0.00 H new ATOM 1931 N HIS A 122 -11.646 7.800 -16.511 1.00 0.00 N ATOM 1932 CA HIS A 122 -12.510 7.105 -15.533 1.00 0.00 C ATOM 1933 C HIS A 122 -12.418 5.565 -15.698 1.00 0.00 C ATOM 1934 O HIS A 122 -12.951 5.026 -16.692 1.00 0.00 O ATOM 1935 CB HIS A 122 -13.983 7.590 -15.672 1.00 0.00 C ATOM 1936 CG HIS A 122 -14.951 6.925 -14.715 1.00 0.00 C ATOM 1937 ND1 HIS A 122 -16.076 6.241 -15.129 1.00 0.00 N ATOM 1938 CD2 HIS A 122 -14.946 6.840 -13.359 1.00 0.00 C ATOM 1939 CE1 HIS A 122 -16.724 5.781 -14.076 1.00 0.00 C ATOM 1940 NE2 HIS A 122 -16.058 6.124 -12.992 1.00 0.00 N ATOM 1941 OXT HIS A 122 -11.815 4.903 -14.836 1.00 0.00 O ATOM 0 H HIS A 122 -12.172 8.334 -17.203 1.00 0.00 H new ATOM 0 HA HIS A 122 -12.157 7.351 -14.532 1.00 0.00 H new ATOM 0 HB2 HIS A 122 -14.015 8.668 -15.512 1.00 0.00 H new ATOM 0 HB3 HIS A 122 -14.318 7.409 -16.693 1.00 0.00 H new ATOM 0 HD2 HIS A 122 -14.205 7.258 -12.694 1.00 0.00 H new ATOM 0 HE1 HIS A 122 -17.645 5.218 -14.099 1.00 0.00 H new ATOM 0 HE2 HIS A 122 -16.326 5.895 -12.035 1.00 0.00 H new TER 1950 HIS A 122