USER MOD reduce.3.24.130724 H: found=0, std=0, add=840, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 843 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 58 MET CE :methyl -168:sc= -1.56 (180deg=-1.81) USER MOD Set 1.2: A 97 MET CE :methyl -117:sc= -0.0045 (180deg=-1.09) USER MOD Set 2.1: A 93 ASN : amide:sc= -0.849 K(o=-0.98,f=-12!) USER MOD Set 2.2: A 95 THR OG1 : rot 180:sc= -0.135 USER MOD Set 3.1: A 28 THR OG1 : rot -68:sc= 0.292 USER MOD Set 3.2: A 39 THR OG1 : rot 180:sc= 0.278 USER MOD Single : A 4 SER OG : rot -31:sc= 0.00526 USER MOD Single : A 11 LYS NZ :NH3+ -166:sc= -0.0147 (180deg=-0.201) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -0.552 K(o=-0.55,f=-1.9) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 160:sc= 2.06 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 170:sc= 0.0806 (180deg=-0.00368) USER MOD Single : A 38 HIS :FLIP no HE2:sc= 1.01 F(o=-3.7!,f=1) USER MOD Single : A 43 SER OG : rot 180:sc= -0.0667 USER MOD Single : A 44 THR OG1 : rot -56:sc= 0.956 USER MOD Single : A 47 LYS NZ :NH3+ -168:sc= 1.26 (180deg=1.12) USER MOD Single : A 49 GLN : amide:sc= -0.0529 X(o=-0.053,f=-0.3) USER MOD Single : A 51 THR OG1 : rot 28:sc= 0.662 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 170:sc= 0.272 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl -159:sc= 0 (180deg=-0.052) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc=-0.00334 K(o=-0.0033,f=-1) USER MOD Single : A 78 ASN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 ASN : amide:sc= -0.128 K(o=-0.13,f=-1.3) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 MET CE :methyl 143:sc= -0.0357 (180deg=-0.339) USER MOD Single : A 103 THR OG1 : rot 76:sc= 0.164 USER MOD Single : A 105 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 106 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot 130:sc= 0.278 USER MOD Single : A 112 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0145) USER MOD ----------------------------------------------------------------- ATOM 46 N SER A 4 16.101 -2.557 -0.278 1.00 25.00 N ATOM 47 CA SER A 4 15.856 -2.382 1.153 1.00 25.00 C ATOM 48 C SER A 4 16.280 -0.989 1.618 1.00 25.00 C ATOM 49 O SER A 4 17.169 -0.367 1.027 1.00 25.00 O ATOM 50 CB SER A 4 16.607 -3.464 1.949 1.00 25.00 C ATOM 51 OG SER A 4 18.014 -3.313 1.849 1.00 25.00 O ATOM 0 HA SER A 4 14.786 -2.484 1.333 1.00 25.00 H new ATOM 0 HB2 SER A 4 16.310 -3.416 2.997 1.00 25.00 H new ATOM 0 HB3 SER A 4 16.321 -4.449 1.582 1.00 25.00 H new ATOM 0 HG SER A 4 18.240 -2.927 0.977 1.00 25.00 H new ATOM 57 N GLY A 5 15.629 -0.518 2.685 1.00 25.00 N ATOM 58 CA GLY A 5 15.940 0.781 3.258 1.00 25.00 C ATOM 59 C GLY A 5 15.475 0.892 4.695 1.00 25.00 C ATOM 60 O GLY A 5 16.004 0.211 5.576 1.00 25.00 O ATOM 0 H GLY A 5 14.884 -1.022 3.165 1.00 25.00 H new ATOM 0 HA2 GLY A 5 17.016 0.950 3.211 1.00 25.00 H new ATOM 0 HA3 GLY A 5 15.468 1.563 2.663 1.00 25.00 H new ATOM 64 N ALA A 6 14.490 1.767 4.929 1.00 25.00 N ATOM 65 CA ALA A 6 13.875 1.931 6.252 1.00 25.00 C ATOM 66 C ALA A 6 12.415 2.366 6.113 1.00 25.00 C ATOM 67 O ALA A 6 12.119 3.333 5.402 1.00 25.00 O ATOM 68 CB ALA A 6 14.644 2.944 7.086 1.00 25.00 C ATOM 0 H ALA A 6 14.099 2.378 4.212 1.00 25.00 H new ATOM 0 HA ALA A 6 13.909 0.968 6.761 1.00 25.00 H new ATOM 0 HB1 ALA A 6 14.169 3.048 8.061 1.00 25.00 H new ATOM 0 HB2 ALA A 6 15.671 2.603 7.217 1.00 25.00 H new ATOM 0 HB3 ALA A 6 14.644 3.908 6.578 1.00 25.00 H new ATOM 74 N ALA A 7 11.505 1.645 6.787 1.00 25.00 N ATOM 75 CA ALA A 7 10.067 1.937 6.706 1.00 25.00 C ATOM 76 C ALA A 7 9.349 1.685 8.038 1.00 25.00 C ATOM 77 O ALA A 7 9.789 0.862 8.845 1.00 25.00 O ATOM 78 CB ALA A 7 9.423 1.108 5.603 1.00 25.00 C ATOM 0 H ALA A 7 11.740 0.858 7.392 1.00 25.00 H new ATOM 0 HA ALA A 7 9.965 2.997 6.473 1.00 25.00 H new ATOM 0 HB1 ALA A 7 8.358 1.333 5.553 1.00 25.00 H new ATOM 0 HB2 ALA A 7 9.890 1.348 4.648 1.00 25.00 H new ATOM 0 HB3 ALA A 7 9.560 0.048 5.817 1.00 25.00 H new ATOM 84 N ILE A 8 8.240 2.409 8.248 1.00 25.00 N ATOM 85 CA ILE A 8 7.383 2.236 9.433 1.00 25.00 C ATOM 86 C ILE A 8 6.028 1.651 9.001 1.00 25.00 C ATOM 87 O ILE A 8 5.483 2.028 7.960 1.00 25.00 O ATOM 88 CB ILE A 8 7.167 3.589 10.199 1.00 25.00 C ATOM 89 CG1 ILE A 8 8.515 4.142 10.713 1.00 25.00 C ATOM 90 CG2 ILE A 8 6.179 3.426 11.368 1.00 25.00 C ATOM 91 CD1 ILE A 8 8.451 5.541 11.304 1.00 25.00 C ATOM 0 H ILE A 8 7.912 3.129 7.604 1.00 25.00 H new ATOM 0 HA ILE A 8 7.883 1.550 10.117 1.00 25.00 H new ATOM 0 HB ILE A 8 6.737 4.301 9.494 1.00 25.00 H new ATOM 0 HG12 ILE A 8 8.905 3.461 11.470 1.00 25.00 H new ATOM 0 HG13 ILE A 8 9.228 4.144 9.889 1.00 25.00 H new ATOM 0 HG21 ILE A 8 6.054 4.383 11.875 1.00 25.00 H new ATOM 0 HG22 ILE A 8 5.215 3.089 10.986 1.00 25.00 H new ATOM 0 HG23 ILE A 8 6.567 2.690 12.072 1.00 25.00 H new ATOM 0 HD11 ILE A 8 9.445 5.841 11.637 1.00 25.00 H new ATOM 0 HD12 ILE A 8 8.095 6.240 10.547 1.00 25.00 H new ATOM 0 HD13 ILE A 8 7.767 5.546 12.153 1.00 25.00 H new ATOM 103 N PHE A 9 5.499 0.729 9.816 1.00 25.00 N ATOM 104 CA PHE A 9 4.217 0.076 9.542 1.00 25.00 C ATOM 105 C PHE A 9 3.465 -0.151 10.850 1.00 25.00 C ATOM 106 O PHE A 9 3.961 -0.831 11.746 1.00 25.00 O ATOM 107 CB PHE A 9 4.443 -1.256 8.794 1.00 25.00 C ATOM 108 CG PHE A 9 3.191 -1.906 8.245 1.00 25.00 C ATOM 109 CD1 PHE A 9 2.662 -1.503 7.027 1.00 25.00 C ATOM 110 CD2 PHE A 9 2.547 -2.914 8.948 1.00 25.00 C ATOM 111 CE1 PHE A 9 1.517 -2.091 6.525 1.00 25.00 C ATOM 112 CE2 PHE A 9 1.403 -3.505 8.450 1.00 25.00 C ATOM 113 CZ PHE A 9 0.896 -3.108 7.232 1.00 25.00 C ATOM 0 H PHE A 9 5.946 0.418 10.678 1.00 25.00 H new ATOM 0 HA PHE A 9 3.614 0.721 8.903 1.00 25.00 H new ATOM 0 HB2 PHE A 9 5.133 -1.079 7.969 1.00 25.00 H new ATOM 0 HB3 PHE A 9 4.930 -1.957 9.472 1.00 25.00 H new ATOM 0 HD1 PHE A 9 3.151 -0.721 6.465 1.00 25.00 H new ATOM 0 HD2 PHE A 9 2.946 -3.241 9.897 1.00 25.00 H new ATOM 0 HE1 PHE A 9 1.107 -1.758 5.583 1.00 25.00 H new ATOM 0 HE2 PHE A 9 0.905 -4.279 9.015 1.00 25.00 H new ATOM 0 HZ PHE A 9 0.017 -3.588 6.829 1.00 25.00 H new ATOM 123 N GLU A 10 2.256 0.430 10.942 1.00 25.00 N ATOM 124 CA GLU A 10 1.388 0.347 12.147 1.00 25.00 C ATOM 125 C GLU A 10 2.054 0.979 13.386 1.00 25.00 C ATOM 126 O GLU A 10 1.966 0.459 14.506 1.00 25.00 O ATOM 127 CB GLU A 10 0.956 -1.105 12.432 1.00 25.00 C ATOM 128 CG GLU A 10 0.106 -1.713 11.326 1.00 25.00 C ATOM 129 CD GLU A 10 -0.395 -3.104 11.667 1.00 25.00 C ATOM 130 OE1 GLU A 10 0.449 -4.000 11.885 1.00 25.00 O ATOM 131 OE2 GLU A 10 -1.627 -3.298 11.713 1.00 25.00 O ATOM 0 H GLU A 10 1.845 0.974 10.184 1.00 25.00 H new ATOM 0 HA GLU A 10 0.492 0.928 11.930 1.00 25.00 H new ATOM 0 HB2 GLU A 10 1.845 -1.719 12.575 1.00 25.00 H new ATOM 0 HB3 GLU A 10 0.396 -1.132 13.367 1.00 25.00 H new ATOM 0 HG2 GLU A 10 -0.746 -1.063 11.130 1.00 25.00 H new ATOM 0 HG3 GLU A 10 0.691 -1.757 10.407 1.00 25.00 H new ATOM 138 N LYS A 11 2.725 2.124 13.151 1.00 25.00 N ATOM 139 CA LYS A 11 3.380 2.952 14.203 1.00 25.00 C ATOM 140 C LYS A 11 4.618 2.284 14.834 1.00 25.00 C ATOM 141 O LYS A 11 5.301 2.898 15.662 1.00 25.00 O ATOM 142 CB LYS A 11 2.387 3.383 15.300 1.00 25.00 C ATOM 143 CG LYS A 11 1.277 4.305 14.790 1.00 25.00 C ATOM 144 CD LYS A 11 0.404 4.855 15.914 1.00 25.00 C ATOM 145 CE LYS A 11 -0.463 3.778 16.563 1.00 25.00 C ATOM 146 NZ LYS A 11 -1.437 3.181 15.603 1.00 25.00 N ATOM 0 H LYS A 11 2.833 2.512 12.214 1.00 25.00 H new ATOM 0 HA LYS A 11 3.732 3.842 13.682 1.00 25.00 H new ATOM 0 HB2 LYS A 11 1.936 2.494 15.741 1.00 25.00 H new ATOM 0 HB3 LYS A 11 2.934 3.891 16.095 1.00 25.00 H new ATOM 0 HG2 LYS A 11 1.723 5.135 14.243 1.00 25.00 H new ATOM 0 HG3 LYS A 11 0.652 3.758 14.085 1.00 25.00 H new ATOM 0 HD2 LYS A 11 1.040 5.311 16.673 1.00 25.00 H new ATOM 0 HD3 LYS A 11 -0.237 5.643 15.519 1.00 25.00 H new ATOM 0 HE2 LYS A 11 0.177 2.992 16.964 1.00 25.00 H new ATOM 0 HE3 LYS A 11 -1.004 4.209 17.405 1.00 25.00 H new ATOM 0 HZ1 LYS A 11 -2.153 2.638 16.127 1.00 25.00 H new ATOM 0 HZ2 LYS A 11 -1.903 3.939 15.065 1.00 25.00 H new ATOM 0 HZ3 LYS A 11 -0.935 2.549 14.947 1.00 25.00 H new ATOM 160 N VAL A 12 4.906 1.038 14.437 1.00 25.00 N ATOM 161 CA VAL A 12 6.134 0.351 14.844 1.00 25.00 C ATOM 162 C VAL A 12 7.181 0.502 13.729 1.00 25.00 C ATOM 163 O VAL A 12 6.955 0.080 12.592 1.00 25.00 O ATOM 164 CB VAL A 12 5.864 -1.154 15.227 1.00 25.00 C ATOM 165 CG1 VAL A 12 7.144 -1.901 15.567 1.00 25.00 C ATOM 166 CG2 VAL A 12 4.852 -1.300 16.367 1.00 25.00 C ATOM 0 H VAL A 12 4.300 0.484 13.831 1.00 25.00 H new ATOM 0 HA VAL A 12 6.525 0.813 15.750 1.00 25.00 H new ATOM 0 HB VAL A 12 5.431 -1.607 14.335 1.00 25.00 H new ATOM 0 HG11 VAL A 12 6.906 -2.933 15.824 1.00 25.00 H new ATOM 0 HG12 VAL A 12 7.813 -1.887 14.707 1.00 25.00 H new ATOM 0 HG13 VAL A 12 7.632 -1.420 16.414 1.00 25.00 H new ATOM 0 HG21 VAL A 12 4.704 -2.357 16.589 1.00 25.00 H new ATOM 0 HG22 VAL A 12 5.228 -0.792 17.255 1.00 25.00 H new ATOM 0 HG23 VAL A 12 3.902 -0.856 16.070 1.00 25.00 H new ATOM 176 N SER A 13 8.314 1.129 14.071 1.00 25.00 N ATOM 177 CA SER A 13 9.355 1.440 13.091 1.00 25.00 C ATOM 178 C SER A 13 10.246 0.236 12.822 1.00 25.00 C ATOM 179 O SER A 13 10.579 -0.524 13.737 1.00 25.00 O ATOM 180 CB SER A 13 10.202 2.629 13.557 1.00 25.00 C ATOM 181 OG SER A 13 11.268 2.881 12.658 1.00 25.00 O ATOM 0 H SER A 13 8.530 1.430 15.021 1.00 25.00 H new ATOM 0 HA SER A 13 8.856 1.706 12.159 1.00 25.00 H new ATOM 0 HB2 SER A 13 9.574 3.516 13.639 1.00 25.00 H new ATOM 0 HB3 SER A 13 10.601 2.428 14.551 1.00 25.00 H new ATOM 0 HG SER A 13 11.792 3.645 12.978 1.00 25.00 H new ATOM 187 N GLY A 14 10.613 0.077 11.552 1.00 25.00 N ATOM 188 CA GLY A 14 11.416 -1.056 11.138 1.00 25.00 C ATOM 189 C GLY A 14 12.174 -0.804 9.855 1.00 25.00 C ATOM 190 O GLY A 14 12.448 0.345 9.493 1.00 25.00 O ATOM 0 H GLY A 14 10.365 0.719 10.799 1.00 25.00 H new ATOM 0 HA2 GLY A 14 12.124 -1.302 11.930 1.00 25.00 H new ATOM 0 HA3 GLY A 14 10.770 -1.924 11.008 1.00 25.00 H new ATOM 194 N ILE A 15 12.510 -1.898 9.175 1.00 25.00 N ATOM 195 CA ILE A 15 13.245 -1.856 7.915 1.00 25.00 C ATOM 196 C ILE A 15 12.479 -2.647 6.843 1.00 25.00 C ATOM 197 O ILE A 15 11.937 -3.720 7.123 1.00 25.00 O ATOM 198 CB ILE A 15 14.700 -2.419 8.109 1.00 25.00 C ATOM 199 CG1 ILE A 15 15.615 -1.428 8.891 1.00 25.00 C ATOM 200 CG2 ILE A 15 15.361 -2.837 6.788 1.00 25.00 C ATOM 201 CD1 ILE A 15 16.917 -1.993 9.457 1.00 25.00 C ATOM 0 H ILE A 15 12.279 -2.842 9.485 1.00 25.00 H new ATOM 0 HA ILE A 15 13.333 -0.821 7.583 1.00 25.00 H new ATOM 0 HB ILE A 15 14.585 -3.320 8.711 1.00 25.00 H new ATOM 0 HG12 ILE A 15 15.864 -0.600 8.227 1.00 25.00 H new ATOM 0 HG13 ILE A 15 15.038 -1.012 9.717 1.00 25.00 H new ATOM 0 HG21 ILE A 15 16.363 -3.217 6.987 1.00 25.00 H new ATOM 0 HG22 ILE A 15 14.765 -3.616 6.313 1.00 25.00 H new ATOM 0 HG23 ILE A 15 15.425 -1.975 6.124 1.00 25.00 H new ATOM 0 HD11 ILE A 15 17.460 -1.204 9.977 1.00 25.00 H new ATOM 0 HD12 ILE A 15 16.691 -2.799 10.155 1.00 25.00 H new ATOM 0 HD13 ILE A 15 17.530 -2.380 8.643 1.00 25.00 H new ATOM 213 N ILE A 16 12.449 -2.104 5.618 1.00 25.00 N ATOM 214 CA ILE A 16 11.751 -2.738 4.499 1.00 25.00 C ATOM 215 C ILE A 16 12.751 -3.471 3.590 1.00 25.00 C ATOM 216 O ILE A 16 13.826 -2.947 3.298 1.00 25.00 O ATOM 217 CB ILE A 16 10.880 -1.678 3.723 1.00 25.00 C ATOM 218 CG1 ILE A 16 9.691 -2.396 3.037 1.00 25.00 C ATOM 219 CG2 ILE A 16 11.684 -0.825 2.711 1.00 25.00 C ATOM 220 CD1 ILE A 16 8.509 -1.498 2.685 1.00 25.00 C ATOM 0 H ILE A 16 12.904 -1.223 5.380 1.00 25.00 H new ATOM 0 HA ILE A 16 11.062 -3.492 4.881 1.00 25.00 H new ATOM 0 HB ILE A 16 10.509 -0.965 4.459 1.00 25.00 H new ATOM 0 HG12 ILE A 16 10.051 -2.871 2.124 1.00 25.00 H new ATOM 0 HG13 ILE A 16 9.340 -3.192 3.693 1.00 25.00 H new ATOM 0 HG21 ILE A 16 11.015 -0.120 2.218 1.00 25.00 H new ATOM 0 HG22 ILE A 16 12.466 -0.277 3.237 1.00 25.00 H new ATOM 0 HG23 ILE A 16 12.138 -1.477 1.965 1.00 25.00 H new ATOM 0 HD11 ILE A 16 7.729 -2.093 2.210 1.00 25.00 H new ATOM 0 HD12 ILE A 16 8.115 -1.042 3.593 1.00 25.00 H new ATOM 0 HD13 ILE A 16 8.837 -0.716 2.000 1.00 25.00 H new ATOM 232 N ALA A 17 12.381 -4.681 3.168 1.00 25.00 N ATOM 233 CA ALA A 17 13.211 -5.482 2.265 1.00 25.00 C ATOM 234 C ALA A 17 12.366 -6.126 1.174 1.00 25.00 C ATOM 235 O ALA A 17 11.250 -6.578 1.433 1.00 25.00 O ATOM 236 CB ALA A 17 13.968 -6.555 3.040 1.00 25.00 C ATOM 0 H ALA A 17 11.506 -5.131 3.439 1.00 25.00 H new ATOM 0 HA ALA A 17 13.932 -4.813 1.794 1.00 25.00 H new ATOM 0 HB1 ALA A 17 14.578 -7.139 2.351 1.00 25.00 H new ATOM 0 HB2 ALA A 17 14.610 -6.082 3.783 1.00 25.00 H new ATOM 0 HB3 ALA A 17 13.257 -7.212 3.541 1.00 25.00 H new ATOM 242 N ILE A 18 12.907 -6.163 -0.048 1.00 25.00 N ATOM 243 CA ILE A 18 12.238 -6.822 -1.169 1.00 25.00 C ATOM 244 C ILE A 18 12.832 -8.211 -1.409 1.00 25.00 C ATOM 245 O ILE A 18 14.044 -8.430 -1.313 1.00 25.00 O ATOM 246 CB ILE A 18 12.240 -5.954 -2.468 1.00 25.00 C ATOM 247 CG1 ILE A 18 11.434 -4.685 -2.226 1.00 25.00 C ATOM 248 CG2 ILE A 18 11.647 -6.698 -3.662 1.00 25.00 C ATOM 249 CD1 ILE A 18 11.657 -3.602 -3.257 1.00 25.00 C ATOM 0 H ILE A 18 13.806 -5.744 -0.284 1.00 25.00 H new ATOM 0 HA ILE A 18 11.190 -6.943 -0.895 1.00 25.00 H new ATOM 0 HB ILE A 18 13.278 -5.717 -2.703 1.00 25.00 H new ATOM 0 HG12 ILE A 18 10.374 -4.939 -2.206 1.00 25.00 H new ATOM 0 HG13 ILE A 18 11.685 -4.291 -1.241 1.00 25.00 H new ATOM 0 HG21 ILE A 18 11.671 -6.053 -4.541 1.00 25.00 H new ATOM 0 HG22 ILE A 18 12.231 -7.598 -3.856 1.00 25.00 H new ATOM 0 HG23 ILE A 18 10.616 -6.975 -3.443 1.00 25.00 H new ATOM 0 HD11 ILE A 18 11.046 -2.734 -3.011 1.00 25.00 H new ATOM 0 HD12 ILE A 18 12.709 -3.316 -3.262 1.00 25.00 H new ATOM 0 HD13 ILE A 18 11.377 -3.975 -4.242 1.00 25.00 H new ATOM 261 N ASN A 19 11.925 -9.116 -1.725 1.00 25.00 N ATOM 262 CA ASN A 19 12.210 -10.543 -1.872 1.00 25.00 C ATOM 263 C ASN A 19 12.121 -10.966 -3.342 1.00 25.00 C ATOM 264 O ASN A 19 11.030 -11.173 -3.862 1.00 25.00 O ATOM 265 CB ASN A 19 11.206 -11.378 -1.037 1.00 25.00 C ATOM 266 CG ASN A 19 11.869 -12.435 -0.155 1.00 25.00 C ATOM 267 OD1 ASN A 19 12.999 -12.846 -0.419 1.00 25.00 O ATOM 268 ND2 ASN A 19 11.166 -12.900 0.876 1.00 25.00 N ATOM 0 H ASN A 19 10.946 -8.881 -1.892 1.00 25.00 H new ATOM 0 HA ASN A 19 13.223 -10.724 -1.512 1.00 25.00 H new ATOM 0 HB2 ASN A 19 10.624 -10.706 -0.407 1.00 25.00 H new ATOM 0 HB3 ASN A 19 10.505 -11.869 -1.712 1.00 25.00 H new ATOM 0 HD21 ASN A 19 11.561 -13.622 1.479 1.00 25.00 H new ATOM 0 HD22 ASN A 19 10.232 -12.534 1.063 1.00 25.00 H new ATOM 275 N GLU A 20 13.274 -11.086 -4.004 1.00 25.00 N ATOM 276 CA GLU A 20 13.334 -11.583 -5.384 1.00 25.00 C ATOM 277 C GLU A 20 14.226 -12.830 -5.440 1.00 25.00 C ATOM 278 O GLU A 20 14.933 -13.127 -4.471 1.00 25.00 O ATOM 279 CB GLU A 20 13.843 -10.497 -6.353 1.00 25.00 C ATOM 280 CG GLU A 20 12.980 -9.239 -6.425 1.00 25.00 C ATOM 281 CD GLU A 20 12.717 -8.798 -7.851 1.00 25.00 C ATOM 282 OE1 GLU A 20 12.055 -9.553 -8.594 1.00 25.00 O ATOM 283 OE2 GLU A 20 13.166 -7.696 -8.225 1.00 25.00 O ATOM 0 H GLU A 20 14.182 -10.845 -3.607 1.00 25.00 H new ATOM 0 HA GLU A 20 12.326 -11.849 -5.702 1.00 25.00 H new ATOM 0 HB2 GLU A 20 14.852 -10.211 -6.056 1.00 25.00 H new ATOM 0 HB3 GLU A 20 13.915 -10.928 -7.352 1.00 25.00 H new ATOM 0 HG2 GLU A 20 12.030 -9.425 -5.924 1.00 25.00 H new ATOM 0 HG3 GLU A 20 13.473 -8.432 -5.883 1.00 25.00 H new ATOM 290 N ASP A 21 14.184 -13.566 -6.580 1.00 25.00 N ATOM 291 CA ASP A 21 14.858 -14.891 -6.745 1.00 25.00 C ATOM 292 C ASP A 21 14.115 -15.981 -5.945 1.00 25.00 C ATOM 293 O ASP A 21 14.516 -17.150 -5.917 1.00 25.00 O ATOM 294 CB ASP A 21 16.346 -14.840 -6.330 1.00 25.00 C ATOM 295 CG ASP A 21 17.163 -13.860 -7.158 1.00 25.00 C ATOM 296 OD1 ASP A 21 17.123 -13.957 -8.402 1.00 25.00 O ATOM 297 OD2 ASP A 21 17.838 -12.995 -6.559 1.00 25.00 O ATOM 0 H ASP A 21 13.683 -13.262 -7.415 1.00 25.00 H new ATOM 0 HA ASP A 21 14.822 -15.142 -7.805 1.00 25.00 H new ATOM 0 HB2 ASP A 21 16.414 -14.563 -5.278 1.00 25.00 H new ATOM 0 HB3 ASP A 21 16.778 -15.836 -6.426 1.00 25.00 H new ATOM 302 N VAL A 22 13.018 -15.559 -5.316 1.00 25.00 N ATOM 303 CA VAL A 22 12.162 -16.407 -4.489 1.00 25.00 C ATOM 304 C VAL A 22 10.874 -16.775 -5.249 1.00 25.00 C ATOM 305 O VAL A 22 10.744 -16.468 -6.439 1.00 25.00 O ATOM 306 CB VAL A 22 11.828 -15.715 -3.120 1.00 25.00 C ATOM 307 CG1 VAL A 22 13.077 -15.639 -2.248 1.00 25.00 C ATOM 308 CG2 VAL A 22 11.223 -14.309 -3.293 1.00 25.00 C ATOM 0 H VAL A 22 12.693 -14.594 -5.369 1.00 25.00 H new ATOM 0 HA VAL A 22 12.706 -17.325 -4.269 1.00 25.00 H new ATOM 0 HB VAL A 22 11.073 -16.332 -2.632 1.00 25.00 H new ATOM 0 HG11 VAL A 22 12.831 -15.157 -1.302 1.00 25.00 H new ATOM 0 HG12 VAL A 22 13.449 -16.646 -2.057 1.00 25.00 H new ATOM 0 HG13 VAL A 22 13.845 -15.060 -2.762 1.00 25.00 H new ATOM 0 HG21 VAL A 22 11.013 -13.880 -2.313 1.00 25.00 H new ATOM 0 HG22 VAL A 22 11.930 -13.671 -3.824 1.00 25.00 H new ATOM 0 HG23 VAL A 22 10.298 -14.379 -3.865 1.00 25.00 H new ATOM 318 N SER A 23 9.933 -17.436 -4.556 1.00 25.00 N ATOM 319 CA SER A 23 8.586 -17.661 -5.103 1.00 25.00 C ATOM 320 C SER A 23 7.878 -16.296 -5.003 1.00 25.00 C ATOM 321 O SER A 23 8.316 -15.485 -4.183 1.00 25.00 O ATOM 322 CB SER A 23 7.875 -18.742 -4.281 1.00 25.00 C ATOM 323 OG SER A 23 7.550 -18.284 -2.981 1.00 25.00 O ATOM 0 H SER A 23 10.079 -17.821 -3.623 1.00 25.00 H new ATOM 0 HA SER A 23 8.594 -18.014 -6.134 1.00 25.00 H new ATOM 0 HB2 SER A 23 6.965 -19.051 -4.796 1.00 25.00 H new ATOM 0 HB3 SER A 23 8.514 -19.622 -4.207 1.00 25.00 H new ATOM 0 HG SER A 23 7.097 -18.998 -2.486 1.00 25.00 H new ATOM 329 N PRO A 24 6.767 -15.987 -5.754 1.00 25.00 N ATOM 330 CA PRO A 24 6.608 -14.636 -6.345 1.00 25.00 C ATOM 331 C PRO A 24 7.008 -13.505 -5.399 1.00 25.00 C ATOM 332 O PRO A 24 6.582 -13.455 -4.240 1.00 25.00 O ATOM 333 CB PRO A 24 5.109 -14.568 -6.641 1.00 25.00 C ATOM 334 CG PRO A 24 4.716 -15.975 -6.925 1.00 25.00 C ATOM 335 CD PRO A 24 5.573 -16.829 -6.003 1.00 25.00 C ATOM 0 HA PRO A 24 7.252 -14.503 -7.214 1.00 25.00 H new ATOM 0 HB2 PRO A 24 4.556 -14.166 -5.792 1.00 25.00 H new ATOM 0 HB3 PRO A 24 4.902 -13.920 -7.492 1.00 25.00 H new ATOM 0 HG2 PRO A 24 3.655 -16.133 -6.733 1.00 25.00 H new ATOM 0 HG3 PRO A 24 4.891 -16.228 -7.971 1.00 25.00 H new ATOM 0 HD2 PRO A 24 5.050 -17.067 -5.077 1.00 25.00 H new ATOM 0 HD3 PRO A 24 5.842 -17.777 -6.470 1.00 25.00 H new ATOM 343 N ALA A 25 7.852 -12.605 -5.943 1.00 25.00 N ATOM 344 CA ALA A 25 8.578 -11.589 -5.173 1.00 25.00 C ATOM 345 C ALA A 25 7.689 -10.843 -4.187 1.00 25.00 C ATOM 346 O ALA A 25 6.588 -10.410 -4.535 1.00 25.00 O ATOM 347 CB ALA A 25 9.284 -10.620 -6.116 1.00 25.00 C ATOM 0 H ALA A 25 8.047 -12.568 -6.943 1.00 25.00 H new ATOM 0 HA ALA A 25 9.323 -12.112 -4.573 1.00 25.00 H new ATOM 0 HB1 ALA A 25 9.819 -9.870 -5.533 1.00 25.00 H new ATOM 0 HB2 ALA A 25 9.991 -11.168 -6.739 1.00 25.00 H new ATOM 0 HB3 ALA A 25 8.547 -10.128 -6.751 1.00 25.00 H new ATOM 353 N GLU A 26 8.181 -10.738 -2.951 1.00 25.00 N ATOM 354 CA GLU A 26 7.403 -10.187 -1.845 1.00 25.00 C ATOM 355 C GLU A 26 8.132 -9.084 -1.091 1.00 25.00 C ATOM 356 O GLU A 26 9.294 -9.214 -0.751 1.00 25.00 O ATOM 357 CB GLU A 26 6.971 -11.287 -0.855 1.00 25.00 C ATOM 358 CG GLU A 26 8.097 -11.966 -0.083 1.00 25.00 C ATOM 359 CD GLU A 26 7.605 -13.065 0.838 1.00 25.00 C ATOM 360 OE1 GLU A 26 6.398 -13.388 0.785 1.00 25.00 O ATOM 361 OE2 GLU A 26 8.423 -13.603 1.615 1.00 25.00 O ATOM 0 H GLU A 26 9.123 -11.031 -2.692 1.00 25.00 H new ATOM 0 HA GLU A 26 6.519 -9.745 -2.304 1.00 25.00 H new ATOM 0 HB2 GLU A 26 6.276 -10.851 -0.138 1.00 25.00 H new ATOM 0 HB3 GLU A 26 6.422 -12.051 -1.407 1.00 25.00 H new ATOM 0 HG2 GLU A 26 8.813 -12.385 -0.790 1.00 25.00 H new ATOM 0 HG3 GLU A 26 8.630 -11.218 0.505 1.00 25.00 H new ATOM 368 N LEU A 27 7.372 -8.061 -0.714 1.00 25.00 N ATOM 369 CA LEU A 27 7.906 -6.883 -0.051 1.00 25.00 C ATOM 370 C LEU A 27 7.711 -7.064 1.450 1.00 25.00 C ATOM 371 O LEU A 27 6.598 -6.966 1.977 1.00 25.00 O ATOM 372 CB LEU A 27 7.181 -5.630 -0.620 1.00 25.00 C ATOM 373 CG LEU A 27 7.381 -4.236 0.040 1.00 25.00 C ATOM 374 CD1 LEU A 27 8.810 -3.726 -0.058 1.00 25.00 C ATOM 375 CD2 LEU A 27 6.410 -3.192 -0.494 1.00 25.00 C ATOM 0 H LEU A 27 6.363 -8.028 -0.862 1.00 25.00 H new ATOM 0 HA LEU A 27 8.972 -6.746 -0.231 1.00 25.00 H new ATOM 0 HB2 LEU A 27 7.474 -5.536 -1.666 1.00 25.00 H new ATOM 0 HB3 LEU A 27 6.112 -5.842 -0.606 1.00 25.00 H new ATOM 0 HG LEU A 27 7.163 -4.393 1.096 1.00 25.00 H new ATOM 0 HD11 LEU A 27 8.882 -2.750 0.421 1.00 25.00 H new ATOM 0 HD12 LEU A 27 9.481 -4.425 0.441 1.00 25.00 H new ATOM 0 HD13 LEU A 27 9.093 -3.637 -1.107 1.00 25.00 H new ATOM 0 HD21 LEU A 27 6.593 -2.238 0.000 1.00 25.00 H new ATOM 0 HD22 LEU A 27 6.554 -3.077 -1.568 1.00 25.00 H new ATOM 0 HD23 LEU A 27 5.387 -3.512 -0.297 1.00 25.00 H new ATOM 387 N THR A 28 8.822 -7.367 2.111 1.00 25.00 N ATOM 388 CA THR A 28 8.808 -7.791 3.504 1.00 25.00 C ATOM 389 C THR A 28 9.270 -6.667 4.431 1.00 25.00 C ATOM 390 O THR A 28 10.450 -6.298 4.439 1.00 25.00 O ATOM 391 CB THR A 28 9.705 -9.044 3.702 1.00 25.00 C ATOM 392 OG1 THR A 28 9.244 -10.111 2.862 1.00 25.00 O ATOM 393 CG2 THR A 28 9.698 -9.532 5.150 1.00 25.00 C ATOM 0 H THR A 28 9.754 -7.326 1.698 1.00 25.00 H new ATOM 0 HA THR A 28 7.780 -8.045 3.761 1.00 25.00 H new ATOM 0 HB THR A 28 10.722 -8.755 3.438 1.00 25.00 H new ATOM 0 HG1 THR A 28 8.371 -10.424 3.180 1.00 25.00 H new ATOM 0 HG21 THR A 28 10.338 -10.409 5.241 1.00 25.00 H new ATOM 0 HG22 THR A 28 10.070 -8.742 5.802 1.00 25.00 H new ATOM 0 HG23 THR A 28 8.681 -9.794 5.441 1.00 25.00 H new ATOM 401 N TRP A 29 8.320 -6.121 5.199 1.00 25.00 N ATOM 402 CA TRP A 29 8.641 -5.196 6.281 1.00 25.00 C ATOM 403 C TRP A 29 8.979 -5.986 7.540 1.00 25.00 C ATOM 404 O TRP A 29 8.296 -6.953 7.886 1.00 25.00 O ATOM 405 CB TRP A 29 7.478 -4.214 6.563 1.00 25.00 C ATOM 406 CG TRP A 29 7.751 -3.257 7.707 1.00 25.00 C ATOM 407 CD1 TRP A 29 8.337 -2.028 7.623 1.00 25.00 C ATOM 408 CD2 TRP A 29 7.475 -3.470 9.108 1.00 25.00 C ATOM 409 NE1 TRP A 29 8.452 -1.468 8.874 1.00 25.00 N ATOM 410 CE2 TRP A 29 7.929 -2.330 9.801 1.00 25.00 C ATOM 411 CE3 TRP A 29 6.890 -4.512 9.843 1.00 25.00 C ATOM 412 CZ2 TRP A 29 7.820 -2.209 11.186 1.00 25.00 C ATOM 413 CZ3 TRP A 29 6.783 -4.381 11.216 1.00 25.00 C ATOM 414 CH2 TRP A 29 7.246 -3.238 11.873 1.00 25.00 C ATOM 0 H TRP A 29 7.323 -6.307 5.087 1.00 25.00 H new ATOM 0 HA TRP A 29 9.502 -4.601 5.975 1.00 25.00 H new ATOM 0 HB2 TRP A 29 7.274 -3.638 5.660 1.00 25.00 H new ATOM 0 HB3 TRP A 29 6.578 -4.786 6.787 1.00 25.00 H new ATOM 0 HD1 TRP A 29 8.664 -1.561 6.705 1.00 25.00 H new ATOM 0 HE1 TRP A 29 8.861 -0.556 9.079 1.00 25.00 H new ATOM 0 HE3 TRP A 29 6.530 -5.400 9.346 1.00 25.00 H new ATOM 0 HZ2 TRP A 29 8.179 -1.329 11.698 1.00 25.00 H new ATOM 0 HZ3 TRP A 29 6.333 -5.177 11.791 1.00 25.00 H new ATOM 0 HH2 TRP A 29 7.147 -3.168 12.946 1.00 25.00 H new ATOM 425 N ARG A 30 10.043 -5.561 8.208 1.00 25.00 N ATOM 426 CA ARG A 30 10.405 -6.102 9.507 1.00 25.00 C ATOM 427 C ARG A 30 10.605 -4.971 10.497 1.00 25.00 C ATOM 428 O ARG A 30 10.973 -3.860 10.114 1.00 25.00 O ATOM 429 CB ARG A 30 11.679 -6.946 9.421 1.00 25.00 C ATOM 430 CG ARG A 30 11.527 -8.217 8.605 1.00 25.00 C ATOM 431 CD ARG A 30 12.794 -9.040 8.621 1.00 25.00 C ATOM 432 NE ARG A 30 12.941 -9.800 9.868 1.00 25.00 N ATOM 433 CZ ARG A 30 14.111 -10.066 10.472 1.00 25.00 C ATOM 434 NH1 ARG A 30 15.267 -9.644 9.958 1.00 25.00 N ATOM 435 NH2 ARG A 30 14.121 -10.763 11.599 1.00 25.00 N ATOM 0 H ARG A 30 10.674 -4.837 7.866 1.00 25.00 H new ATOM 0 HA ARG A 30 9.593 -6.746 9.845 1.00 25.00 H new ATOM 0 HB2 ARG A 30 12.474 -6.341 8.986 1.00 25.00 H new ATOM 0 HB3 ARG A 30 11.995 -7.211 10.430 1.00 25.00 H new ATOM 0 HG2 ARG A 30 10.702 -8.809 9.002 1.00 25.00 H new ATOM 0 HG3 ARG A 30 11.270 -7.962 7.577 1.00 25.00 H new ATOM 0 HD2 ARG A 30 12.790 -9.728 7.776 1.00 25.00 H new ATOM 0 HD3 ARG A 30 13.654 -8.383 8.493 1.00 25.00 H new ATOM 0 HE ARG A 30 12.091 -10.152 10.309 1.00 25.00 H new ATOM 0 HH11 ARG A 30 15.274 -9.108 9.090 1.00 25.00 H new ATOM 0 HH12 ARG A 30 16.144 -9.857 10.433 1.00 25.00 H new ATOM 0 HH21 ARG A 30 13.244 -11.094 12.002 1.00 25.00 H new ATOM 0 HH22 ARG A 30 15.005 -10.969 12.063 1.00 25.00 H new ATOM 449 N SER A 31 10.349 -5.261 11.774 1.00 25.00 N ATOM 450 CA SER A 31 10.633 -4.326 12.863 1.00 25.00 C ATOM 451 C SER A 31 12.154 -4.187 13.035 1.00 25.00 C ATOM 452 O SER A 31 12.913 -5.049 12.585 1.00 25.00 O ATOM 453 CB SER A 31 9.942 -4.819 14.144 1.00 25.00 C ATOM 454 OG SER A 31 10.447 -6.066 14.585 1.00 25.00 O ATOM 0 H SER A 31 9.942 -6.144 12.081 1.00 25.00 H new ATOM 0 HA SER A 31 10.239 -3.336 12.634 1.00 25.00 H new ATOM 0 HB2 SER A 31 10.073 -4.078 14.932 1.00 25.00 H new ATOM 0 HB3 SER A 31 8.871 -4.907 13.964 1.00 25.00 H new ATOM 0 HG SER A 31 10.225 -6.193 15.531 1.00 25.00 H new ATOM 460 N THR A 32 12.585 -3.079 13.668 1.00 25.00 N ATOM 461 CA THR A 32 14.019 -2.719 13.780 1.00 25.00 C ATOM 462 C THR A 32 14.891 -3.841 14.372 1.00 25.00 C ATOM 463 O THR A 32 16.112 -3.834 14.193 1.00 25.00 O ATOM 464 CB THR A 32 14.229 -1.427 14.608 1.00 25.00 C ATOM 465 OG1 THR A 32 13.444 -1.469 15.807 1.00 25.00 O ATOM 466 CG2 THR A 32 13.871 -0.182 13.800 1.00 25.00 C ATOM 0 H THR A 32 11.957 -2.410 14.114 1.00 25.00 H new ATOM 0 HA THR A 32 14.342 -2.552 12.752 1.00 25.00 H new ATOM 0 HB THR A 32 15.286 -1.372 14.870 1.00 25.00 H new ATOM 0 HG1 THR A 32 13.588 -0.647 16.321 1.00 25.00 H new ATOM 0 HG21 THR A 32 14.030 0.706 14.411 1.00 25.00 H new ATOM 0 HG22 THR A 32 14.502 -0.130 12.913 1.00 25.00 H new ATOM 0 HG23 THR A 32 12.825 -0.232 13.498 1.00 25.00 H new ATOM 474 N ASP A 33 14.255 -4.782 15.086 1.00 25.00 N ATOM 475 CA ASP A 33 14.925 -6.004 15.554 1.00 25.00 C ATOM 476 C ASP A 33 14.571 -7.199 14.654 1.00 25.00 C ATOM 477 O ASP A 33 15.379 -8.114 14.474 1.00 25.00 O ATOM 478 CB ASP A 33 14.545 -6.314 17.009 1.00 25.00 C ATOM 479 CG ASP A 33 14.834 -5.158 17.951 1.00 25.00 C ATOM 480 OD1 ASP A 33 15.991 -4.690 17.979 1.00 25.00 O ATOM 481 OD2 ASP A 33 13.901 -4.725 18.660 1.00 25.00 O ATOM 0 H ASP A 33 13.273 -4.719 15.353 1.00 25.00 H new ATOM 0 HA ASP A 33 16.000 -5.834 15.503 1.00 25.00 H new ATOM 0 HB2 ASP A 33 13.484 -6.561 17.058 1.00 25.00 H new ATOM 0 HB3 ASP A 33 15.093 -7.195 17.343 1.00 25.00 H new ATOM 486 N GLY A 34 13.349 -7.165 14.100 1.00 25.00 N ATOM 487 CA GLY A 34 12.860 -8.213 13.205 1.00 25.00 C ATOM 488 C GLY A 34 11.988 -9.238 13.909 1.00 25.00 C ATOM 489 O GLY A 34 11.764 -10.331 13.381 1.00 25.00 O ATOM 0 H GLY A 34 12.679 -6.413 14.262 1.00 25.00 H new ATOM 0 HA2 GLY A 34 12.291 -7.755 12.396 1.00 25.00 H new ATOM 0 HA3 GLY A 34 13.711 -8.720 12.750 1.00 25.00 H new ATOM 493 N ASP A 35 11.493 -8.878 15.105 1.00 25.00 N ATOM 494 CA ASP A 35 10.544 -9.716 15.851 1.00 25.00 C ATOM 495 C ASP A 35 9.143 -9.610 15.229 1.00 25.00 C ATOM 496 O ASP A 35 8.345 -10.550 15.306 1.00 25.00 O ATOM 497 CB ASP A 35 10.519 -9.293 17.331 1.00 25.00 C ATOM 498 CG ASP A 35 10.025 -7.868 17.539 1.00 25.00 C ATOM 499 OD1 ASP A 35 10.616 -6.943 16.944 1.00 25.00 O ATOM 500 OD2 ASP A 35 9.049 -7.684 18.296 1.00 25.00 O ATOM 0 H ASP A 35 11.737 -8.007 15.576 1.00 25.00 H new ATOM 0 HA ASP A 35 10.865 -10.756 15.795 1.00 25.00 H new ATOM 0 HB2 ASP A 35 9.878 -9.978 17.887 1.00 25.00 H new ATOM 0 HB3 ASP A 35 11.522 -9.387 17.746 1.00 25.00 H new ATOM 505 N LYS A 36 8.865 -8.449 14.615 1.00 25.00 N ATOM 506 CA LYS A 36 7.639 -8.235 13.852 1.00 25.00 C ATOM 507 C LYS A 36 7.958 -8.261 12.359 1.00 25.00 C ATOM 508 O LYS A 36 8.982 -7.717 11.933 1.00 25.00 O ATOM 509 CB LYS A 36 7.007 -6.888 14.216 1.00 25.00 C ATOM 510 CG LYS A 36 6.659 -6.756 15.679 1.00 25.00 C ATOM 511 CD LYS A 36 6.091 -5.385 15.958 1.00 25.00 C ATOM 512 CE LYS A 36 5.829 -5.184 17.439 1.00 25.00 C ATOM 513 NZ LYS A 36 7.092 -5.072 18.218 1.00 25.00 N ATOM 0 H LYS A 36 9.485 -7.639 14.637 1.00 25.00 H new ATOM 0 HA LYS A 36 6.933 -9.029 14.093 1.00 25.00 H new ATOM 0 HB2 LYS A 36 7.695 -6.088 13.942 1.00 25.00 H new ATOM 0 HB3 LYS A 36 6.103 -6.749 13.623 1.00 25.00 H new ATOM 0 HG2 LYS A 36 5.935 -7.521 15.959 1.00 25.00 H new ATOM 0 HG3 LYS A 36 7.548 -6.920 16.288 1.00 25.00 H new ATOM 0 HD2 LYS A 36 6.785 -4.623 15.603 1.00 25.00 H new ATOM 0 HD3 LYS A 36 5.163 -5.254 15.402 1.00 25.00 H new ATOM 0 HE2 LYS A 36 5.233 -4.283 17.583 1.00 25.00 H new ATOM 0 HE3 LYS A 36 5.241 -6.019 17.820 1.00 25.00 H new ATOM 0 HZ1 LYS A 36 6.875 -4.769 19.189 1.00 25.00 H new ATOM 0 HZ2 LYS A 36 7.568 -5.996 18.242 1.00 25.00 H new ATOM 0 HZ3 LYS A 36 7.717 -4.373 17.768 1.00 25.00 H new ATOM 527 N VAL A 37 7.088 -8.897 11.565 1.00 25.00 N ATOM 528 CA VAL A 37 7.321 -9.019 10.123 1.00 25.00 C ATOM 529 C VAL A 37 5.994 -9.056 9.327 1.00 25.00 C ATOM 530 O VAL A 37 5.070 -9.800 9.669 1.00 25.00 O ATOM 531 CB VAL A 37 8.238 -10.259 9.808 1.00 25.00 C ATOM 532 CG1 VAL A 37 7.703 -11.567 10.401 1.00 25.00 C ATOM 533 CG2 VAL A 37 8.488 -10.400 8.309 1.00 25.00 C ATOM 0 H VAL A 37 6.225 -9.331 11.893 1.00 25.00 H new ATOM 0 HA VAL A 37 7.852 -8.126 9.793 1.00 25.00 H new ATOM 0 HB VAL A 37 9.191 -10.063 10.299 1.00 25.00 H new ATOM 0 HG11 VAL A 37 8.379 -12.384 10.149 1.00 25.00 H new ATOM 0 HG12 VAL A 37 7.634 -11.474 11.485 1.00 25.00 H new ATOM 0 HG13 VAL A 37 6.714 -11.775 9.991 1.00 25.00 H new ATOM 0 HG21 VAL A 37 9.125 -11.266 8.126 1.00 25.00 H new ATOM 0 HG22 VAL A 37 7.537 -10.533 7.793 1.00 25.00 H new ATOM 0 HG23 VAL A 37 8.981 -9.502 7.936 1.00 25.00 H new ATOM 543 N HIS A 38 5.929 -8.227 8.274 1.00 25.00 N ATOM 544 CA HIS A 38 4.786 -8.191 7.351 1.00 25.00 C ATOM 545 C HIS A 38 5.280 -8.435 5.916 1.00 25.00 C ATOM 546 O HIS A 38 6.381 -8.010 5.559 1.00 25.00 O ATOM 547 CB HIS A 38 4.058 -6.837 7.460 1.00 25.00 C ATOM 548 CG HIS A 38 3.474 -6.551 8.818 1.00 25.00 C ATOM 549 ND1 HIS A 38 3.987 -5.889 9.882 1.00 25.00 N flip ATOM 550 CD2 HIS A 38 2.218 -6.972 9.201 1.00 25.00 C flip ATOM 551 CE1 HIS A 38 3.040 -5.919 10.875 1.00 25.00 C flip ATOM 552 NE2 HIS A 38 1.982 -6.578 10.440 1.00 25.00 N flip ATOM 0 H HIS A 38 6.667 -7.563 8.039 1.00 25.00 H new ATOM 0 HA HIS A 38 4.078 -8.976 7.616 1.00 25.00 H new ATOM 0 HB2 HIS A 38 4.757 -6.041 7.204 1.00 25.00 H new ATOM 0 HB3 HIS A 38 3.258 -6.808 6.721 1.00 25.00 H new ATOM 0 HD1 HIS A 38 4.906 -5.450 9.936 1.00 25.00 H new ATOM 0 HD2 HIS A 38 1.534 -7.536 8.584 1.00 25.00 H new ATOM 0 HE1 HIS A 38 3.144 -5.475 11.854 1.00 25.00 H new ATOM 561 N THR A 39 4.462 -9.118 5.103 1.00 25.00 N ATOM 562 CA THR A 39 4.880 -9.533 3.759 1.00 25.00 C ATOM 563 C THR A 39 3.851 -9.130 2.684 1.00 25.00 C ATOM 564 O THR A 39 2.658 -9.415 2.816 1.00 25.00 O ATOM 565 CB THR A 39 5.125 -11.068 3.726 1.00 25.00 C ATOM 566 OG1 THR A 39 6.532 -11.330 3.647 1.00 25.00 O ATOM 567 CG2 THR A 39 4.438 -11.739 2.542 1.00 25.00 C ATOM 0 H THR A 39 3.512 -9.393 5.352 1.00 25.00 H new ATOM 0 HA THR A 39 5.810 -9.014 3.528 1.00 25.00 H new ATOM 0 HB THR A 39 4.703 -11.480 4.643 1.00 25.00 H new ATOM 0 HG1 THR A 39 6.684 -12.298 3.628 1.00 25.00 H new ATOM 0 HG21 THR A 39 4.639 -12.810 2.564 1.00 25.00 H new ATOM 0 HG22 THR A 39 3.363 -11.571 2.602 1.00 25.00 H new ATOM 0 HG23 THR A 39 4.820 -11.317 1.613 1.00 25.00 H new ATOM 575 N VAL A 40 4.343 -8.459 1.627 1.00 25.00 N ATOM 576 CA VAL A 40 3.525 -8.082 0.469 1.00 25.00 C ATOM 577 C VAL A 40 3.997 -8.837 -0.800 1.00 25.00 C ATOM 578 O VAL A 40 5.037 -8.509 -1.365 1.00 25.00 O ATOM 579 CB VAL A 40 3.614 -6.530 0.267 1.00 25.00 C ATOM 580 CG1 VAL A 40 2.862 -6.019 -0.962 1.00 25.00 C ATOM 581 CG2 VAL A 40 3.119 -5.794 1.498 1.00 25.00 C ATOM 0 H VAL A 40 5.317 -8.165 1.555 1.00 25.00 H new ATOM 0 HA VAL A 40 2.486 -8.360 0.648 1.00 25.00 H new ATOM 0 HB VAL A 40 4.672 -6.324 0.102 1.00 25.00 H new ATOM 0 HG11 VAL A 40 2.972 -4.937 -1.032 1.00 25.00 H new ATOM 0 HG12 VAL A 40 3.272 -6.484 -1.859 1.00 25.00 H new ATOM 0 HG13 VAL A 40 1.805 -6.271 -0.873 1.00 25.00 H new ATOM 0 HG21 VAL A 40 3.191 -4.719 1.333 1.00 25.00 H new ATOM 0 HG22 VAL A 40 2.080 -6.063 1.690 1.00 25.00 H new ATOM 0 HG23 VAL A 40 3.730 -6.071 2.357 1.00 25.00 H new ATOM 591 N VAL A 41 3.206 -9.818 -1.260 1.00 25.00 N ATOM 592 CA VAL A 41 3.488 -10.531 -2.519 1.00 25.00 C ATOM 593 C VAL A 41 3.021 -9.655 -3.695 1.00 25.00 C ATOM 594 O VAL A 41 1.833 -9.345 -3.804 1.00 25.00 O ATOM 595 CB VAL A 41 2.783 -11.927 -2.562 1.00 25.00 C ATOM 596 CG1 VAL A 41 3.015 -12.639 -3.896 1.00 25.00 C ATOM 597 CG2 VAL A 41 3.273 -12.816 -1.423 1.00 25.00 C ATOM 0 H VAL A 41 2.365 -10.137 -0.780 1.00 25.00 H new ATOM 0 HA VAL A 41 4.560 -10.713 -2.590 1.00 25.00 H new ATOM 0 HB VAL A 41 1.714 -11.747 -2.449 1.00 25.00 H new ATOM 0 HG11 VAL A 41 2.509 -13.605 -3.886 1.00 25.00 H new ATOM 0 HG12 VAL A 41 2.617 -12.030 -4.708 1.00 25.00 H new ATOM 0 HG13 VAL A 41 4.084 -12.791 -4.046 1.00 25.00 H new ATOM 0 HG21 VAL A 41 2.769 -13.781 -1.473 1.00 25.00 H new ATOM 0 HG22 VAL A 41 4.349 -12.963 -1.513 1.00 25.00 H new ATOM 0 HG23 VAL A 41 3.051 -12.340 -0.468 1.00 25.00 H new ATOM 607 N LEU A 42 3.962 -9.254 -4.559 1.00 25.00 N ATOM 608 CA LEU A 42 3.666 -8.271 -5.618 1.00 25.00 C ATOM 609 C LEU A 42 2.874 -8.863 -6.791 1.00 25.00 C ATOM 610 O LEU A 42 2.278 -8.114 -7.572 1.00 25.00 O ATOM 611 CB LEU A 42 4.948 -7.597 -6.169 1.00 25.00 C ATOM 612 CG LEU A 42 5.664 -6.535 -5.290 1.00 25.00 C ATOM 613 CD1 LEU A 42 4.675 -5.615 -4.597 1.00 25.00 C ATOM 614 CD2 LEU A 42 6.587 -7.173 -4.264 1.00 25.00 C ATOM 0 H LEU A 42 4.926 -9.588 -4.550 1.00 25.00 H new ATOM 0 HA LEU A 42 3.044 -7.521 -5.129 1.00 25.00 H new ATOM 0 HB2 LEU A 42 5.668 -8.385 -6.389 1.00 25.00 H new ATOM 0 HB3 LEU A 42 4.693 -7.124 -7.117 1.00 25.00 H new ATOM 0 HG LEU A 42 6.271 -5.937 -5.970 1.00 25.00 H new ATOM 0 HD11 LEU A 42 5.217 -4.887 -3.993 1.00 25.00 H new ATOM 0 HD12 LEU A 42 4.078 -5.093 -5.345 1.00 25.00 H new ATOM 0 HD13 LEU A 42 4.019 -6.203 -3.955 1.00 25.00 H new ATOM 0 HD21 LEU A 42 7.067 -6.394 -3.672 1.00 25.00 H new ATOM 0 HD22 LEU A 42 6.008 -7.823 -3.608 1.00 25.00 H new ATOM 0 HD23 LEU A 42 7.349 -7.760 -4.776 1.00 25.00 H new ATOM 626 N SER A 43 2.861 -10.202 -6.911 1.00 25.00 N ATOM 627 CA SER A 43 2.034 -10.890 -7.919 1.00 25.00 C ATOM 628 C SER A 43 0.537 -10.761 -7.567 1.00 25.00 C ATOM 629 O SER A 43 -0.337 -11.199 -8.322 1.00 25.00 O ATOM 630 CB SER A 43 2.455 -12.365 -8.020 1.00 25.00 C ATOM 631 OG SER A 43 2.059 -13.106 -6.875 1.00 25.00 O ATOM 0 H SER A 43 3.412 -10.828 -6.324 1.00 25.00 H new ATOM 0 HA SER A 43 2.189 -10.420 -8.890 1.00 25.00 H new ATOM 0 HB2 SER A 43 2.012 -12.809 -8.911 1.00 25.00 H new ATOM 0 HB3 SER A 43 3.537 -12.427 -8.137 1.00 25.00 H new ATOM 0 HG SER A 43 2.342 -14.039 -6.975 1.00 25.00 H new ATOM 637 N THR A 44 0.278 -10.142 -6.402 1.00 25.00 N ATOM 638 CA THR A 44 -1.078 -9.893 -5.905 1.00 25.00 C ATOM 639 C THR A 44 -1.361 -8.377 -5.825 1.00 25.00 C ATOM 640 O THR A 44 -2.461 -7.959 -5.452 1.00 25.00 O ATOM 641 CB THR A 44 -1.299 -10.531 -4.503 1.00 25.00 C ATOM 642 OG1 THR A 44 -0.431 -9.938 -3.527 1.00 25.00 O ATOM 643 CG2 THR A 44 -1.049 -12.035 -4.527 1.00 25.00 C ATOM 0 H THR A 44 1.010 -9.800 -5.779 1.00 25.00 H new ATOM 0 HA THR A 44 -1.768 -10.355 -6.611 1.00 25.00 H new ATOM 0 HB THR A 44 -2.339 -10.345 -4.233 1.00 25.00 H new ATOM 0 HG1 THR A 44 0.499 -10.020 -3.824 1.00 25.00 H new ATOM 0 HG21 THR A 44 -1.213 -12.447 -3.531 1.00 25.00 H new ATOM 0 HG22 THR A 44 -1.734 -12.506 -5.232 1.00 25.00 H new ATOM 0 HG23 THR A 44 -0.021 -12.228 -4.835 1.00 25.00 H new ATOM 651 N ILE A 45 -0.346 -7.573 -6.178 1.00 25.00 N ATOM 652 CA ILE A 45 -0.413 -6.103 -6.119 1.00 25.00 C ATOM 653 C ILE A 45 -0.588 -5.528 -7.535 1.00 25.00 C ATOM 654 O ILE A 45 -0.093 -6.101 -8.506 1.00 25.00 O ATOM 655 CB ILE A 45 0.885 -5.531 -5.439 1.00 25.00 C ATOM 656 CG1 ILE A 45 1.055 -6.081 -3.989 1.00 25.00 C ATOM 657 CG2 ILE A 45 0.937 -3.994 -5.448 1.00 25.00 C ATOM 658 CD1 ILE A 45 -0.069 -5.755 -3.001 1.00 25.00 C ATOM 0 H ILE A 45 0.550 -7.926 -6.514 1.00 25.00 H new ATOM 0 HA ILE A 45 -1.273 -5.807 -5.519 1.00 25.00 H new ATOM 0 HB ILE A 45 1.723 -5.879 -6.043 1.00 25.00 H new ATOM 0 HG12 ILE A 45 1.157 -7.165 -4.044 1.00 25.00 H new ATOM 0 HG13 ILE A 45 1.989 -5.693 -3.584 1.00 25.00 H new ATOM 0 HG21 ILE A 45 1.855 -3.658 -4.965 1.00 25.00 H new ATOM 0 HG22 ILE A 45 0.916 -3.635 -6.477 1.00 25.00 H new ATOM 0 HG23 ILE A 45 0.077 -3.598 -4.908 1.00 25.00 H new ATOM 0 HD11 ILE A 45 0.163 -6.191 -2.029 1.00 25.00 H new ATOM 0 HD12 ILE A 45 -0.163 -4.674 -2.901 1.00 25.00 H new ATOM 0 HD13 ILE A 45 -1.008 -6.168 -3.369 1.00 25.00 H new ATOM 670 N ASP A 46 -1.300 -4.394 -7.628 1.00 25.00 N ATOM 671 CA ASP A 46 -1.592 -3.750 -8.915 1.00 25.00 C ATOM 672 C ASP A 46 -0.934 -2.360 -9.012 1.00 25.00 C ATOM 673 O ASP A 46 -0.306 -2.046 -10.027 1.00 25.00 O ATOM 674 CB ASP A 46 -3.120 -3.651 -9.112 1.00 25.00 C ATOM 675 CG ASP A 46 -3.523 -3.078 -10.464 1.00 25.00 C ATOM 676 OD1 ASP A 46 -3.223 -3.717 -11.493 1.00 25.00 O ATOM 677 OD2 ASP A 46 -4.140 -1.992 -10.487 1.00 25.00 O ATOM 0 H ASP A 46 -1.685 -3.903 -6.821 1.00 25.00 H new ATOM 0 HA ASP A 46 -1.169 -4.363 -9.711 1.00 25.00 H new ATOM 0 HB2 ASP A 46 -3.557 -4.643 -9.002 1.00 25.00 H new ATOM 0 HB3 ASP A 46 -3.540 -3.028 -8.323 1.00 25.00 H new ATOM 682 N LYS A 47 -1.083 -1.532 -7.961 1.00 25.00 N ATOM 683 CA LYS A 47 -0.590 -0.169 -7.973 1.00 25.00 C ATOM 684 C LYS A 47 0.219 0.166 -6.710 1.00 25.00 C ATOM 685 O LYS A 47 0.217 -0.592 -5.737 1.00 25.00 O ATOM 686 CB LYS A 47 -1.791 0.766 -8.075 1.00 25.00 C ATOM 687 CG LYS A 47 -2.521 0.629 -9.375 1.00 25.00 C ATOM 688 CD LYS A 47 -3.662 1.633 -9.519 1.00 25.00 C ATOM 689 CE LYS A 47 -4.288 1.578 -10.905 1.00 25.00 C ATOM 690 NZ LYS A 47 -5.204 0.416 -11.064 1.00 25.00 N ATOM 0 H LYS A 47 -1.547 -1.800 -7.093 1.00 25.00 H new ATOM 0 HA LYS A 47 0.080 -0.047 -8.824 1.00 25.00 H new ATOM 0 HB2 LYS A 47 -2.478 0.560 -7.254 1.00 25.00 H new ATOM 0 HB3 LYS A 47 -1.455 1.796 -7.958 1.00 25.00 H new ATOM 0 HG2 LYS A 47 -1.818 0.763 -10.197 1.00 25.00 H new ATOM 0 HG3 LYS A 47 -2.920 -0.382 -9.458 1.00 25.00 H new ATOM 0 HD2 LYS A 47 -4.424 1.428 -8.767 1.00 25.00 H new ATOM 0 HD3 LYS A 47 -3.288 2.639 -9.328 1.00 25.00 H new ATOM 0 HE2 LYS A 47 -4.839 2.500 -11.090 1.00 25.00 H new ATOM 0 HE3 LYS A 47 -3.500 1.522 -11.656 1.00 25.00 H new ATOM 0 HZ1 LYS A 47 -5.447 0.300 -12.069 1.00 25.00 H new ATOM 0 HZ2 LYS A 47 -4.735 -0.446 -10.719 1.00 25.00 H new ATOM 0 HZ3 LYS A 47 -6.072 0.580 -10.515 1.00 25.00 H new ATOM 704 N LEU A 48 0.919 1.319 -6.754 1.00 25.00 N ATOM 705 CA LEU A 48 1.745 1.807 -5.626 1.00 25.00 C ATOM 706 C LEU A 48 1.706 3.339 -5.597 1.00 25.00 C ATOM 707 O LEU A 48 1.943 3.987 -6.622 1.00 25.00 O ATOM 708 CB LEU A 48 3.217 1.338 -5.740 1.00 25.00 C ATOM 709 CG LEU A 48 3.611 0.700 -7.064 1.00 25.00 C ATOM 710 CD1 LEU A 48 3.804 1.747 -8.153 1.00 25.00 C ATOM 711 CD2 LEU A 48 4.866 -0.097 -6.883 1.00 25.00 C ATOM 0 H LEU A 48 0.929 1.936 -7.566 1.00 25.00 H new ATOM 0 HA LEU A 48 1.332 1.393 -4.706 1.00 25.00 H new ATOM 0 HB2 LEU A 48 3.866 2.196 -5.565 1.00 25.00 H new ATOM 0 HB3 LEU A 48 3.413 0.622 -4.942 1.00 25.00 H new ATOM 0 HG LEU A 48 2.802 0.041 -7.380 1.00 25.00 H new ATOM 0 HD11 LEU A 48 4.085 1.256 -9.085 1.00 25.00 H new ATOM 0 HD12 LEU A 48 2.874 2.296 -8.299 1.00 25.00 H new ATOM 0 HD13 LEU A 48 4.592 2.440 -7.856 1.00 25.00 H new ATOM 0 HD21 LEU A 48 5.147 -0.553 -7.832 1.00 25.00 H new ATOM 0 HD22 LEU A 48 5.668 0.559 -6.544 1.00 25.00 H new ATOM 0 HD23 LEU A 48 4.698 -0.877 -6.141 1.00 25.00 H new ATOM 723 N GLN A 49 1.403 3.912 -4.425 1.00 25.00 N ATOM 724 CA GLN A 49 1.231 5.363 -4.285 1.00 25.00 C ATOM 725 C GLN A 49 2.104 5.931 -3.155 1.00 25.00 C ATOM 726 O GLN A 49 1.893 5.620 -1.986 1.00 25.00 O ATOM 727 CB GLN A 49 -0.256 5.666 -4.024 1.00 25.00 C ATOM 728 CG GLN A 49 -1.195 5.244 -5.153 1.00 25.00 C ATOM 729 CD GLN A 49 -0.893 5.908 -6.485 1.00 25.00 C ATOM 730 OE1 GLN A 49 -0.496 7.070 -6.535 1.00 25.00 O ATOM 731 NE2 GLN A 49 -1.082 5.169 -7.573 1.00 25.00 N ATOM 0 H GLN A 49 1.272 3.391 -3.558 1.00 25.00 H new ATOM 0 HA GLN A 49 1.551 5.845 -5.209 1.00 25.00 H new ATOM 0 HB2 GLN A 49 -0.561 5.162 -3.107 1.00 25.00 H new ATOM 0 HB3 GLN A 49 -0.371 6.736 -3.853 1.00 25.00 H new ATOM 0 HG2 GLN A 49 -1.137 4.163 -5.276 1.00 25.00 H new ATOM 0 HG3 GLN A 49 -2.220 5.477 -4.866 1.00 25.00 H new ATOM 0 HE21 GLN A 49 -1.413 4.208 -7.486 1.00 25.00 H new ATOM 0 HE22 GLN A 49 -0.896 5.563 -8.495 1.00 25.00 H new ATOM 740 N ALA A 50 3.079 6.781 -3.522 1.00 25.00 N ATOM 741 CA ALA A 50 4.026 7.360 -2.553 1.00 25.00 C ATOM 742 C ALA A 50 3.842 8.874 -2.394 1.00 25.00 C ATOM 743 O ALA A 50 3.424 9.561 -3.331 1.00 25.00 O ATOM 744 CB ALA A 50 5.450 7.049 -2.982 1.00 25.00 C ATOM 0 H ALA A 50 3.232 7.083 -4.484 1.00 25.00 H new ATOM 0 HA ALA A 50 3.823 6.908 -1.582 1.00 25.00 H new ATOM 0 HB1 ALA A 50 6.148 7.478 -2.264 1.00 25.00 H new ATOM 0 HB2 ALA A 50 5.590 5.969 -3.023 1.00 25.00 H new ATOM 0 HB3 ALA A 50 5.635 7.476 -3.968 1.00 25.00 H new ATOM 750 N THR A 51 4.165 9.380 -1.184 1.00 25.00 N ATOM 751 CA THR A 51 4.065 10.817 -0.857 1.00 25.00 C ATOM 752 C THR A 51 5.102 11.643 -1.649 1.00 25.00 C ATOM 753 O THR A 51 6.305 11.390 -1.521 1.00 25.00 O ATOM 754 CB THR A 51 4.274 11.088 0.657 1.00 25.00 C ATOM 755 OG1 THR A 51 5.533 10.557 1.093 1.00 25.00 O ATOM 756 CG2 THR A 51 3.150 10.472 1.490 1.00 25.00 C ATOM 0 H THR A 51 4.501 8.806 -0.411 1.00 25.00 H new ATOM 0 HA THR A 51 3.056 11.121 -1.135 1.00 25.00 H new ATOM 0 HB THR A 51 4.265 12.168 0.801 1.00 25.00 H new ATOM 0 HG1 THR A 51 6.164 10.553 0.343 1.00 25.00 H new ATOM 0 HG21 THR A 51 3.324 10.679 2.546 1.00 25.00 H new ATOM 0 HG22 THR A 51 2.195 10.903 1.189 1.00 25.00 H new ATOM 0 HG23 THR A 51 3.128 9.394 1.330 1.00 25.00 H new ATOM 764 N PRO A 52 4.660 12.635 -2.495 1.00 25.00 N ATOM 765 CA PRO A 52 5.583 13.518 -3.254 1.00 25.00 C ATOM 766 C PRO A 52 6.617 14.219 -2.362 1.00 25.00 C ATOM 767 O PRO A 52 6.418 14.349 -1.150 1.00 25.00 O ATOM 768 CB PRO A 52 4.658 14.572 -3.873 1.00 25.00 C ATOM 769 CG PRO A 52 3.323 13.924 -3.993 1.00 25.00 C ATOM 770 CD PRO A 52 3.240 12.959 -2.789 1.00 25.00 C ATOM 0 HA PRO A 52 6.161 12.941 -3.976 1.00 25.00 H new ATOM 0 HB2 PRO A 52 4.605 15.462 -3.246 1.00 25.00 H new ATOM 0 HB3 PRO A 52 5.026 14.891 -4.848 1.00 25.00 H new ATOM 0 HG2 PRO A 52 2.521 14.662 -3.964 1.00 25.00 H new ATOM 0 HG3 PRO A 52 3.228 13.387 -4.937 1.00 25.00 H new ATOM 0 HD2 PRO A 52 2.751 13.427 -1.934 1.00 25.00 H new ATOM 0 HD3 PRO A 52 2.668 12.064 -3.033 1.00 25.00 H new ATOM 778 N ALA A 53 7.715 14.680 -2.985 1.00 25.00 N ATOM 779 CA ALA A 53 8.791 15.389 -2.275 1.00 25.00 C ATOM 780 C ALA A 53 8.371 16.808 -1.861 1.00 25.00 C ATOM 781 O ALA A 53 9.120 17.517 -1.181 1.00 25.00 O ATOM 782 CB ALA A 53 10.051 15.418 -3.129 1.00 25.00 C ATOM 0 H ALA A 53 7.880 14.573 -3.986 1.00 25.00 H new ATOM 0 HA ALA A 53 9.001 14.842 -1.356 1.00 25.00 H new ATOM 0 HB1 ALA A 53 10.841 15.945 -2.594 1.00 25.00 H new ATOM 0 HB2 ALA A 53 10.373 14.398 -3.338 1.00 25.00 H new ATOM 0 HB3 ALA A 53 9.843 15.932 -4.067 1.00 25.00 H new ATOM 788 N SER A 54 7.163 17.202 -2.287 1.00 25.00 N ATOM 789 CA SER A 54 6.543 18.461 -1.872 1.00 25.00 C ATOM 790 C SER A 54 5.506 18.226 -0.765 1.00 25.00 C ATOM 791 O SER A 54 5.118 19.161 -0.057 1.00 25.00 O ATOM 792 CB SER A 54 5.878 19.141 -3.072 1.00 25.00 C ATOM 793 OG SER A 54 4.849 18.333 -3.622 1.00 25.00 O ATOM 0 H SER A 54 6.591 16.654 -2.929 1.00 25.00 H new ATOM 0 HA SER A 54 7.325 19.110 -1.478 1.00 25.00 H new ATOM 0 HB2 SER A 54 5.463 20.101 -2.764 1.00 25.00 H new ATOM 0 HB3 SER A 54 6.627 19.348 -3.836 1.00 25.00 H new ATOM 0 HG SER A 54 4.443 18.795 -4.385 1.00 25.00 H new ATOM 799 N SER A 55 5.069 16.963 -0.629 1.00 25.00 N ATOM 800 CA SER A 55 4.078 16.558 0.375 1.00 25.00 C ATOM 801 C SER A 55 4.627 16.616 1.802 1.00 25.00 C ATOM 802 O SER A 55 5.780 16.259 2.054 1.00 25.00 O ATOM 803 CB SER A 55 3.573 15.153 0.060 1.00 25.00 C ATOM 804 OG SER A 55 2.750 14.678 1.105 1.00 25.00 O ATOM 0 H SER A 55 5.395 16.194 -1.215 1.00 25.00 H new ATOM 0 HA SER A 55 3.254 17.270 0.326 1.00 25.00 H new ATOM 0 HB2 SER A 55 3.014 15.162 -0.876 1.00 25.00 H new ATOM 0 HB3 SER A 55 4.418 14.479 -0.080 1.00 25.00 H new ATOM 0 HG SER A 55 2.306 13.852 0.822 1.00 25.00 H new ATOM 810 N GLU A 56 3.769 17.080 2.726 1.00 25.00 N ATOM 811 CA GLU A 56 4.076 17.135 4.170 1.00 25.00 C ATOM 812 C GLU A 56 4.271 15.746 4.770 1.00 25.00 C ATOM 813 O GLU A 56 4.795 15.594 5.878 1.00 25.00 O ATOM 814 CB GLU A 56 2.932 17.822 4.913 1.00 25.00 C ATOM 815 CG GLU A 56 2.645 19.232 4.432 1.00 25.00 C ATOM 816 CD GLU A 56 1.688 19.269 3.255 1.00 25.00 C ATOM 817 OE1 GLU A 56 1.158 18.201 2.887 1.00 25.00 O ATOM 818 OE2 GLU A 56 1.471 20.369 2.702 1.00 25.00 O ATOM 0 H GLU A 56 2.839 17.429 2.494 1.00 25.00 H new ATOM 0 HA GLU A 56 5.006 17.693 4.280 1.00 25.00 H new ATOM 0 HB2 GLU A 56 2.029 17.221 4.805 1.00 25.00 H new ATOM 0 HB3 GLU A 56 3.169 17.853 5.976 1.00 25.00 H new ATOM 0 HG2 GLU A 56 2.226 19.813 5.254 1.00 25.00 H new ATOM 0 HG3 GLU A 56 3.582 19.712 4.148 1.00 25.00 H new ATOM 825 N LYS A 57 3.841 14.749 4.009 1.00 25.00 N ATOM 826 CA LYS A 57 3.772 13.378 4.456 1.00 25.00 C ATOM 827 C LYS A 57 4.995 12.561 4.055 1.00 25.00 C ATOM 828 O LYS A 57 5.629 12.826 3.029 1.00 25.00 O ATOM 829 CB LYS A 57 2.527 12.737 3.849 1.00 25.00 C ATOM 830 CG LYS A 57 1.187 13.365 4.199 1.00 25.00 C ATOM 831 CD LYS A 57 0.823 13.302 5.676 1.00 25.00 C ATOM 832 CE LYS A 57 -0.575 13.839 5.874 1.00 25.00 C ATOM 833 NZ LYS A 57 -1.012 13.771 7.298 1.00 25.00 N ATOM 0 H LYS A 57 3.526 14.880 3.048 1.00 25.00 H new ATOM 0 HA LYS A 57 3.733 13.385 5.545 1.00 25.00 H new ATOM 0 HB2 LYS A 57 2.634 12.750 2.764 1.00 25.00 H new ATOM 0 HB3 LYS A 57 2.501 11.691 4.155 1.00 25.00 H new ATOM 0 HG2 LYS A 57 1.197 14.409 3.885 1.00 25.00 H new ATOM 0 HG3 LYS A 57 0.406 12.867 3.624 1.00 25.00 H new ATOM 0 HD2 LYS A 57 0.883 12.274 6.033 1.00 25.00 H new ATOM 0 HD3 LYS A 57 1.534 13.884 6.262 1.00 25.00 H new ATOM 0 HE2 LYS A 57 -0.616 14.873 5.533 1.00 25.00 H new ATOM 0 HE3 LYS A 57 -1.271 13.272 5.256 1.00 25.00 H new ATOM 0 HZ1 LYS A 57 -1.977 14.150 7.384 1.00 25.00 H new ATOM 0 HZ2 LYS A 57 -0.999 12.782 7.618 1.00 25.00 H new ATOM 0 HZ3 LYS A 57 -0.365 14.334 7.887 1.00 25.00 H new ATOM 847 N MET A 58 5.314 11.568 4.891 1.00 25.00 N ATOM 848 CA MET A 58 6.291 10.541 4.544 1.00 25.00 C ATOM 849 C MET A 58 5.626 9.170 4.629 1.00 25.00 C ATOM 850 O MET A 58 5.496 8.594 5.716 1.00 25.00 O ATOM 851 CB MET A 58 7.507 10.599 5.481 1.00 25.00 C ATOM 852 CG MET A 58 8.216 11.950 5.517 1.00 25.00 C ATOM 853 SD MET A 58 8.846 12.466 3.904 1.00 25.00 S ATOM 854 CE MET A 58 10.095 11.225 3.581 1.00 25.00 C ATOM 0 H MET A 58 4.904 11.457 5.818 1.00 25.00 H new ATOM 0 HA MET A 58 6.644 10.717 3.528 1.00 25.00 H new ATOM 0 HB2 MET A 58 7.184 10.346 6.491 1.00 25.00 H new ATOM 0 HB3 MET A 58 8.222 9.836 5.175 1.00 25.00 H new ATOM 0 HG2 MET A 58 7.525 12.706 5.889 1.00 25.00 H new ATOM 0 HG3 MET A 58 9.044 11.900 6.224 1.00 25.00 H new ATOM 0 HE1 MET A 58 10.706 11.535 2.733 1.00 25.00 H new ATOM 0 HE2 MET A 58 10.728 11.108 4.461 1.00 25.00 H new ATOM 0 HE3 MET A 58 9.613 10.274 3.352 1.00 25.00 H new ATOM 864 N MET A 59 5.203 8.656 3.466 1.00 25.00 N ATOM 865 CA MET A 59 4.455 7.398 3.378 1.00 25.00 C ATOM 866 C MET A 59 4.584 6.770 1.990 1.00 25.00 C ATOM 867 O MET A 59 4.858 7.461 1.003 1.00 25.00 O ATOM 868 CB MET A 59 2.966 7.630 3.683 1.00 25.00 C ATOM 869 CG MET A 59 2.674 8.243 5.055 1.00 25.00 C ATOM 870 SD MET A 59 0.916 8.535 5.448 1.00 25.00 S ATOM 871 CE MET A 59 0.351 7.017 6.225 1.00 25.00 C ATOM 0 H MET A 59 5.370 9.100 2.563 1.00 25.00 H new ATOM 0 HA MET A 59 4.880 6.718 4.116 1.00 25.00 H new ATOM 0 HB2 MET A 59 2.551 8.282 2.915 1.00 25.00 H new ATOM 0 HB3 MET A 59 2.443 6.677 3.609 1.00 25.00 H new ATOM 0 HG2 MET A 59 3.092 7.588 5.819 1.00 25.00 H new ATOM 0 HG3 MET A 59 3.203 9.193 5.126 1.00 25.00 H new ATOM 0 HE1 MET A 59 -0.735 6.954 6.154 1.00 25.00 H new ATOM 0 HE2 MET A 59 0.797 6.161 5.719 1.00 25.00 H new ATOM 0 HE3 MET A 59 0.647 7.013 7.274 1.00 25.00 H new ATOM 881 N LEU A 60 4.381 5.448 1.938 1.00 25.00 N ATOM 882 CA LEU A 60 4.377 4.694 0.689 1.00 25.00 C ATOM 883 C LEU A 60 3.217 3.698 0.713 1.00 25.00 C ATOM 884 O LEU A 60 3.174 2.806 1.565 1.00 25.00 O ATOM 885 CB LEU A 60 5.722 3.959 0.519 1.00 25.00 C ATOM 886 CG LEU A 60 5.825 2.962 -0.650 1.00 25.00 C ATOM 887 CD1 LEU A 60 5.675 3.678 -1.972 1.00 25.00 C ATOM 888 CD2 LEU A 60 7.140 2.208 -0.657 1.00 25.00 C ATOM 0 H LEU A 60 4.215 4.875 2.765 1.00 25.00 H new ATOM 0 HA LEU A 60 4.248 5.371 -0.155 1.00 25.00 H new ATOM 0 HB2 LEU A 60 6.505 4.707 0.397 1.00 25.00 H new ATOM 0 HB3 LEU A 60 5.935 3.422 1.443 1.00 25.00 H new ATOM 0 HG LEU A 60 5.017 2.243 -0.511 1.00 25.00 H new ATOM 0 HD11 LEU A 60 5.751 2.958 -2.787 1.00 25.00 H new ATOM 0 HD12 LEU A 60 4.703 4.170 -2.011 1.00 25.00 H new ATOM 0 HD13 LEU A 60 6.463 4.424 -2.073 1.00 25.00 H new ATOM 0 HD21 LEU A 60 7.160 1.519 -1.501 1.00 25.00 H new ATOM 0 HD22 LEU A 60 7.965 2.915 -0.746 1.00 25.00 H new ATOM 0 HD23 LEU A 60 7.243 1.647 0.272 1.00 25.00 H new ATOM 900 N ARG A 61 2.284 3.850 -0.229 1.00 25.00 N ATOM 901 CA ARG A 61 1.087 3.009 -0.278 1.00 25.00 C ATOM 902 C ARG A 61 1.210 1.915 -1.341 1.00 25.00 C ATOM 903 O ARG A 61 1.784 2.130 -2.411 1.00 25.00 O ATOM 904 CB ARG A 61 -0.177 3.854 -0.520 1.00 25.00 C ATOM 905 CG ARG A 61 -1.474 3.070 -0.386 1.00 25.00 C ATOM 906 CD ARG A 61 -2.704 3.966 -0.460 1.00 25.00 C ATOM 907 NE ARG A 61 -2.843 4.609 -1.771 1.00 25.00 N ATOM 908 CZ ARG A 61 -3.771 5.535 -2.068 1.00 25.00 C ATOM 909 NH1 ARG A 61 -4.606 5.994 -1.138 1.00 25.00 N ATOM 910 NH2 ARG A 61 -3.859 6.007 -3.303 1.00 25.00 N ATOM 0 H ARG A 61 2.335 4.549 -0.970 1.00 25.00 H new ATOM 0 HA ARG A 61 0.995 2.524 0.694 1.00 25.00 H new ATOM 0 HB2 ARG A 61 -0.190 4.683 0.188 1.00 25.00 H new ATOM 0 HB3 ARG A 61 -0.127 4.288 -1.519 1.00 25.00 H new ATOM 0 HG2 ARG A 61 -1.526 2.321 -1.176 1.00 25.00 H new ATOM 0 HG3 ARG A 61 -1.475 2.534 0.563 1.00 25.00 H new ATOM 0 HD2 ARG A 61 -3.595 3.375 -0.251 1.00 25.00 H new ATOM 0 HD3 ARG A 61 -2.641 4.732 0.313 1.00 25.00 H new ATOM 0 HE ARG A 61 -2.192 4.335 -2.507 1.00 25.00 H new ATOM 0 HH11 ARG A 61 -4.548 5.643 -0.182 1.00 25.00 H new ATOM 0 HH12 ARG A 61 -5.304 6.697 -1.381 1.00 25.00 H new ATOM 0 HH21 ARG A 61 -3.224 5.668 -4.025 1.00 25.00 H new ATOM 0 HH22 ARG A 61 -4.562 6.710 -3.532 1.00 25.00 H new ATOM 924 N LEU A 62 0.670 0.740 -1.011 1.00 25.00 N ATOM 925 CA LEU A 62 0.705 -0.434 -1.884 1.00 25.00 C ATOM 926 C LEU A 62 -0.718 -0.944 -2.138 1.00 25.00 C ATOM 927 O LEU A 62 -1.359 -1.513 -1.249 1.00 25.00 O ATOM 928 CB LEU A 62 1.564 -1.540 -1.229 1.00 25.00 C ATOM 929 CG LEU A 62 3.095 -1.553 -1.479 1.00 25.00 C ATOM 930 CD1 LEU A 62 3.394 -1.633 -2.962 1.00 25.00 C ATOM 931 CD2 LEU A 62 3.814 -0.355 -0.856 1.00 25.00 C ATOM 0 H LEU A 62 0.193 0.576 -0.124 1.00 25.00 H new ATOM 0 HA LEU A 62 1.149 -0.159 -2.841 1.00 25.00 H new ATOM 0 HB2 LEU A 62 1.407 -1.483 -0.152 1.00 25.00 H new ATOM 0 HB3 LEU A 62 1.169 -2.501 -1.558 1.00 25.00 H new ATOM 0 HG LEU A 62 3.481 -2.444 -0.984 1.00 25.00 H new ATOM 0 HD11 LEU A 62 4.473 -1.641 -3.116 1.00 25.00 H new ATOM 0 HD12 LEU A 62 2.962 -2.546 -3.371 1.00 25.00 H new ATOM 0 HD13 LEU A 62 2.962 -0.769 -3.467 1.00 25.00 H new ATOM 0 HD21 LEU A 62 4.882 -0.422 -1.066 1.00 25.00 H new ATOM 0 HD22 LEU A 62 3.418 0.568 -1.280 1.00 25.00 H new ATOM 0 HD23 LEU A 62 3.656 -0.356 0.222 1.00 25.00 H new ATOM 943 N ILE A 63 -1.194 -0.742 -3.365 1.00 25.00 N ATOM 944 CA ILE A 63 -2.580 -1.053 -3.748 1.00 25.00 C ATOM 945 C ILE A 63 -2.671 -2.509 -4.240 1.00 25.00 C ATOM 946 O ILE A 63 -1.856 -2.947 -5.055 1.00 25.00 O ATOM 947 CB ILE A 63 -3.081 -0.067 -4.863 1.00 25.00 C ATOM 948 CG1 ILE A 63 -3.056 1.419 -4.415 1.00 25.00 C ATOM 949 CG2 ILE A 63 -4.494 -0.403 -5.351 1.00 25.00 C ATOM 950 CD1 ILE A 63 -3.533 2.425 -5.446 1.00 25.00 C ATOM 0 H ILE A 63 -0.634 -0.358 -4.126 1.00 25.00 H new ATOM 0 HA ILE A 63 -3.221 -0.932 -2.874 1.00 25.00 H new ATOM 0 HB ILE A 63 -2.374 -0.200 -5.682 1.00 25.00 H new ATOM 0 HG12 ILE A 63 -3.673 1.521 -3.522 1.00 25.00 H new ATOM 0 HG13 ILE A 63 -2.036 1.676 -4.128 1.00 25.00 H new ATOM 0 HG21 ILE A 63 -4.792 0.309 -6.121 1.00 25.00 H new ATOM 0 HG22 ILE A 63 -4.506 -1.411 -5.765 1.00 25.00 H new ATOM 0 HG23 ILE A 63 -5.191 -0.346 -4.515 1.00 25.00 H new ATOM 0 HD11 ILE A 63 -3.474 3.430 -5.028 1.00 25.00 H new ATOM 0 HD12 ILE A 63 -2.903 2.363 -6.333 1.00 25.00 H new ATOM 0 HD13 ILE A 63 -4.565 2.206 -5.718 1.00 25.00 H new ATOM 962 N GLY A 64 -3.681 -3.230 -3.745 1.00 25.00 N ATOM 963 CA GLY A 64 -3.844 -4.642 -4.063 1.00 25.00 C ATOM 964 C GLY A 64 -4.708 -4.895 -5.286 1.00 25.00 C ATOM 965 O GLY A 64 -5.423 -4.003 -5.750 1.00 25.00 O ATOM 0 H GLY A 64 -4.396 -2.854 -3.122 1.00 25.00 H new ATOM 0 HA2 GLY A 64 -2.861 -5.085 -4.225 1.00 25.00 H new ATOM 0 HA3 GLY A 64 -4.285 -5.150 -3.206 1.00 25.00 H new ATOM 969 N LYS A 65 -4.631 -6.130 -5.797 1.00 25.00 N ATOM 970 CA LYS A 65 -5.411 -6.562 -6.961 1.00 25.00 C ATOM 971 C LYS A 65 -6.839 -6.936 -6.565 1.00 25.00 C ATOM 972 O LYS A 65 -7.053 -7.657 -5.585 1.00 25.00 O ATOM 973 CB LYS A 65 -4.711 -7.733 -7.645 1.00 25.00 C ATOM 974 CG LYS A 65 -5.432 -8.192 -8.897 1.00 25.00 C ATOM 975 CD LYS A 65 -4.668 -9.278 -9.619 1.00 25.00 C ATOM 976 CE LYS A 65 -5.407 -9.721 -10.873 1.00 25.00 C ATOM 977 NZ LYS A 65 -4.685 -10.791 -11.608 1.00 25.00 N ATOM 0 H LYS A 65 -4.026 -6.857 -5.415 1.00 25.00 H new ATOM 0 HA LYS A 65 -5.476 -5.730 -7.662 1.00 25.00 H new ATOM 0 HB2 LYS A 65 -3.692 -7.443 -7.903 1.00 25.00 H new ATOM 0 HB3 LYS A 65 -4.638 -8.566 -6.946 1.00 25.00 H new ATOM 0 HG2 LYS A 65 -6.423 -8.560 -8.631 1.00 25.00 H new ATOM 0 HG3 LYS A 65 -5.576 -7.343 -9.565 1.00 25.00 H new ATOM 0 HD2 LYS A 65 -3.676 -8.914 -9.886 1.00 25.00 H new ATOM 0 HD3 LYS A 65 -4.526 -10.131 -8.955 1.00 25.00 H new ATOM 0 HE2 LYS A 65 -6.400 -10.078 -10.599 1.00 25.00 H new ATOM 0 HE3 LYS A 65 -5.547 -8.863 -11.531 1.00 25.00 H new ATOM 0 HZ1 LYS A 65 -5.228 -11.058 -12.454 1.00 25.00 H new ATOM 0 HZ2 LYS A 65 -3.747 -10.444 -11.894 1.00 25.00 H new ATOM 0 HZ3 LYS A 65 -4.573 -11.621 -10.991 1.00 25.00 H new ATOM 1019 N GLU A 68 -13.290 -8.519 -8.583 1.00 25.00 N ATOM 1020 CA GLU A 68 -14.652 -7.976 -8.692 1.00 25.00 C ATOM 1021 C GLU A 68 -15.648 -9.008 -9.251 1.00 25.00 C ATOM 1022 O GLU A 68 -16.845 -8.721 -9.362 1.00 25.00 O ATOM 1023 CB GLU A 68 -14.656 -6.699 -9.549 1.00 25.00 C ATOM 1024 CG GLU A 68 -14.263 -6.924 -11.009 1.00 25.00 C ATOM 1025 CD GLU A 68 -14.259 -5.642 -11.817 1.00 25.00 C ATOM 1026 OE1 GLU A 68 -14.470 -4.563 -11.221 1.00 25.00 O ATOM 1027 OE2 GLU A 68 -14.049 -5.713 -13.047 1.00 25.00 O ATOM 0 HA GLU A 68 -14.982 -7.726 -7.683 1.00 25.00 H new ATOM 0 HB2 GLU A 68 -15.651 -6.256 -9.516 1.00 25.00 H new ATOM 0 HB3 GLU A 68 -13.971 -5.976 -9.107 1.00 25.00 H new ATOM 0 HG2 GLU A 68 -13.272 -7.377 -11.049 1.00 25.00 H new ATOM 0 HG3 GLU A 68 -14.956 -7.633 -11.463 1.00 25.00 H new ATOM 1034 N SER A 69 -15.150 -10.209 -9.593 1.00 25.00 N ATOM 1035 CA SER A 69 -16.001 -11.311 -10.077 1.00 25.00 C ATOM 1036 C SER A 69 -16.761 -11.990 -8.922 1.00 25.00 C ATOM 1037 O SER A 69 -17.672 -12.793 -9.149 1.00 25.00 O ATOM 1038 CB SER A 69 -15.151 -12.340 -10.837 1.00 25.00 C ATOM 1039 OG SER A 69 -14.246 -13.008 -9.972 1.00 25.00 O ATOM 0 H SER A 69 -14.158 -10.442 -9.543 1.00 25.00 H new ATOM 0 HA SER A 69 -16.742 -10.889 -10.755 1.00 25.00 H new ATOM 0 HB2 SER A 69 -15.804 -13.070 -11.316 1.00 25.00 H new ATOM 0 HB3 SER A 69 -14.596 -11.840 -11.630 1.00 25.00 H new ATOM 0 HG SER A 69 -13.721 -13.657 -10.486 1.00 25.00 H new ATOM 1045 N LYS A 70 -16.370 -11.643 -7.690 1.00 25.00 N ATOM 1046 CA LYS A 70 -17.020 -12.131 -6.466 1.00 25.00 C ATOM 1047 C LYS A 70 -18.090 -11.128 -5.979 1.00 25.00 C ATOM 1048 O LYS A 70 -18.274 -10.918 -4.771 1.00 25.00 O ATOM 1049 CB LYS A 70 -15.960 -12.349 -5.374 1.00 25.00 C ATOM 1050 CG LYS A 70 -15.032 -13.523 -5.669 1.00 25.00 C ATOM 1051 CD LYS A 70 -13.951 -13.716 -4.604 1.00 25.00 C ATOM 1052 CE LYS A 70 -13.082 -14.948 -4.851 1.00 25.00 C ATOM 1053 NZ LYS A 70 -11.743 -14.820 -4.214 1.00 25.00 N ATOM 0 H LYS A 70 -15.589 -11.012 -7.512 1.00 25.00 H new ATOM 0 HA LYS A 70 -17.515 -13.077 -6.683 1.00 25.00 H new ATOM 0 HB2 LYS A 70 -15.366 -11.442 -5.266 1.00 25.00 H new ATOM 0 HB3 LYS A 70 -16.459 -12.518 -4.420 1.00 25.00 H new ATOM 0 HG2 LYS A 70 -15.624 -14.435 -5.747 1.00 25.00 H new ATOM 0 HG3 LYS A 70 -14.556 -13.368 -6.637 1.00 25.00 H new ATOM 0 HD2 LYS A 70 -13.316 -12.831 -4.574 1.00 25.00 H new ATOM 0 HD3 LYS A 70 -14.424 -13.802 -3.626 1.00 25.00 H new ATOM 0 HE2 LYS A 70 -13.586 -15.832 -4.461 1.00 25.00 H new ATOM 0 HE3 LYS A 70 -12.961 -15.097 -5.924 1.00 25.00 H new ATOM 0 HZ1 LYS A 70 -11.184 -15.676 -4.405 1.00 25.00 H new ATOM 0 HZ2 LYS A 70 -11.251 -13.991 -4.604 1.00 25.00 H new ATOM 0 HZ3 LYS A 70 -11.857 -14.703 -3.187 1.00 25.00 H new ATOM 1067 N LYS A 71 -18.792 -10.529 -6.944 1.00 25.00 N ATOM 1068 CA LYS A 71 -19.807 -9.478 -6.702 1.00 25.00 C ATOM 1069 C LYS A 71 -20.751 -9.821 -5.543 1.00 25.00 C ATOM 1070 O LYS A 71 -21.435 -10.850 -5.554 1.00 25.00 O ATOM 1071 CB LYS A 71 -20.653 -9.241 -7.969 1.00 25.00 C ATOM 1072 CG LYS A 71 -19.907 -8.659 -9.161 1.00 25.00 C ATOM 1073 CD LYS A 71 -20.827 -8.431 -10.350 1.00 25.00 C ATOM 1074 CE LYS A 71 -20.057 -7.896 -11.537 1.00 25.00 C ATOM 1075 NZ LYS A 71 -20.925 -7.721 -12.734 1.00 25.00 N ATOM 0 H LYS A 71 -18.676 -10.757 -7.931 1.00 25.00 H new ATOM 0 HA LYS A 71 -19.254 -8.577 -6.437 1.00 25.00 H new ATOM 0 HB2 LYS A 71 -21.097 -10.190 -8.270 1.00 25.00 H new ATOM 0 HB3 LYS A 71 -21.474 -8.571 -7.715 1.00 25.00 H new ATOM 0 HG2 LYS A 71 -19.444 -7.715 -8.874 1.00 25.00 H new ATOM 0 HG3 LYS A 71 -19.101 -9.334 -9.450 1.00 25.00 H new ATOM 0 HD2 LYS A 71 -21.316 -9.367 -10.621 1.00 25.00 H new ATOM 0 HD3 LYS A 71 -21.614 -7.728 -10.076 1.00 25.00 H new ATOM 0 HE2 LYS A 71 -19.605 -6.940 -11.274 1.00 25.00 H new ATOM 0 HE3 LYS A 71 -19.242 -8.578 -11.777 1.00 25.00 H new ATOM 0 HZ1 LYS A 71 -20.357 -7.353 -13.524 1.00 25.00 H new ATOM 0 HZ2 LYS A 71 -21.337 -8.638 -13.001 1.00 25.00 H new ATOM 0 HZ3 LYS A 71 -21.688 -7.050 -12.514 1.00 25.00 H new ATOM 1089 N ARG A 72 -20.753 -8.933 -4.545 1.00 25.00 N ATOM 1090 CA ARG A 72 -21.535 -9.106 -3.328 1.00 25.00 C ATOM 1091 C ARG A 72 -22.811 -8.254 -3.401 1.00 25.00 C ATOM 1092 O ARG A 72 -22.835 -7.228 -4.081 1.00 25.00 O ATOM 1093 CB ARG A 72 -20.650 -8.720 -2.120 1.00 25.00 C ATOM 1094 CG ARG A 72 -19.495 -9.677 -1.821 1.00 25.00 C ATOM 1095 CD ARG A 72 -18.773 -9.297 -0.537 1.00 25.00 C ATOM 1096 NE ARG A 72 -19.637 -9.435 0.639 1.00 25.00 N ATOM 1097 CZ ARG A 72 -20.161 -8.411 1.332 1.00 25.00 C ATOM 1098 NH1 ARG A 72 -19.914 -7.148 0.990 1.00 25.00 N ATOM 1099 NH2 ARG A 72 -20.938 -8.659 2.377 1.00 25.00 N ATOM 0 H ARG A 72 -20.208 -8.071 -4.563 1.00 25.00 H new ATOM 0 HA ARG A 72 -21.848 -10.144 -3.214 1.00 25.00 H new ATOM 0 HB2 ARG A 72 -20.240 -7.726 -2.295 1.00 25.00 H new ATOM 0 HB3 ARG A 72 -21.282 -8.653 -1.235 1.00 25.00 H new ATOM 0 HG2 ARG A 72 -19.877 -10.695 -1.737 1.00 25.00 H new ATOM 0 HG3 ARG A 72 -18.790 -9.669 -2.652 1.00 25.00 H new ATOM 0 HD2 ARG A 72 -17.892 -9.928 -0.416 1.00 25.00 H new ATOM 0 HD3 ARG A 72 -18.421 -8.268 -0.610 1.00 25.00 H new ATOM 0 HE ARG A 72 -19.857 -10.380 0.955 1.00 25.00 H new ATOM 0 HH11 ARG A 72 -19.317 -6.944 0.188 1.00 25.00 H new ATOM 0 HH12 ARG A 72 -20.322 -6.384 1.530 1.00 25.00 H new ATOM 0 HH21 ARG A 72 -21.134 -9.622 2.650 1.00 25.00 H new ATOM 0 HH22 ARG A 72 -21.340 -7.887 2.909 1.00 25.00 H new ATOM 1113 N LYS A 73 -23.867 -8.704 -2.712 1.00 25.00 N ATOM 1114 CA LYS A 73 -25.134 -7.970 -2.652 1.00 25.00 C ATOM 1115 C LYS A 73 -25.543 -7.738 -1.201 1.00 25.00 C ATOM 1116 O LYS A 73 -25.344 -8.604 -0.342 1.00 25.00 O ATOM 1117 CB LYS A 73 -26.243 -8.721 -3.401 1.00 25.00 C ATOM 1118 CG LYS A 73 -25.976 -8.860 -4.885 1.00 25.00 C ATOM 1119 CD LYS A 73 -27.110 -9.567 -5.596 1.00 25.00 C ATOM 1120 CE LYS A 73 -26.814 -9.716 -7.077 1.00 25.00 C ATOM 1121 NZ LYS A 73 -27.916 -10.411 -7.799 1.00 25.00 N ATOM 0 H LYS A 73 -23.867 -9.578 -2.186 1.00 25.00 H new ATOM 0 HA LYS A 73 -24.989 -7.005 -3.138 1.00 25.00 H new ATOM 0 HB2 LYS A 73 -26.358 -9.713 -2.965 1.00 25.00 H new ATOM 0 HB3 LYS A 73 -27.188 -8.198 -3.256 1.00 25.00 H new ATOM 0 HG2 LYS A 73 -25.832 -7.872 -5.323 1.00 25.00 H new ATOM 0 HG3 LYS A 73 -25.050 -9.414 -5.037 1.00 25.00 H new ATOM 0 HD2 LYS A 73 -27.266 -10.550 -5.152 1.00 25.00 H new ATOM 0 HD3 LYS A 73 -28.035 -9.006 -5.461 1.00 25.00 H new ATOM 0 HE2 LYS A 73 -26.657 -8.731 -7.516 1.00 25.00 H new ATOM 0 HE3 LYS A 73 -25.887 -10.274 -7.207 1.00 25.00 H new ATOM 0 HZ1 LYS A 73 -27.674 -10.492 -8.807 1.00 25.00 H new ATOM 0 HZ2 LYS A 73 -28.049 -11.361 -7.397 1.00 25.00 H new ATOM 0 HZ3 LYS A 73 -28.796 -9.866 -7.697 1.00 25.00 H new ATOM 1135 N ASP A 74 -26.119 -6.560 -0.943 1.00 25.00 N ATOM 1136 CA ASP A 74 -26.510 -6.150 0.412 1.00 25.00 C ATOM 1137 C ASP A 74 -27.902 -6.698 0.802 1.00 25.00 C ATOM 1138 O ASP A 74 -28.454 -7.540 0.089 1.00 25.00 O ATOM 1139 CB ASP A 74 -26.443 -4.609 0.538 1.00 25.00 C ATOM 1140 CG ASP A 74 -27.481 -3.876 -0.303 1.00 25.00 C ATOM 1141 OD1 ASP A 74 -28.364 -4.548 -0.872 1.00 25.00 O ATOM 1142 OD2 ASP A 74 -27.405 -2.632 -0.387 1.00 25.00 O ATOM 0 H ASP A 74 -26.327 -5.867 -1.662 1.00 25.00 H new ATOM 0 HA ASP A 74 -25.802 -6.584 1.118 1.00 25.00 H new ATOM 0 HB2 ASP A 74 -26.577 -4.333 1.584 1.00 25.00 H new ATOM 0 HB3 ASP A 74 -25.449 -4.273 0.244 1.00 25.00 H new ATOM 1147 N ASN A 75 -28.462 -6.213 1.927 1.00 25.00 N ATOM 1148 CA ASN A 75 -29.751 -6.700 2.464 1.00 25.00 C ATOM 1149 C ASN A 75 -30.912 -6.598 1.457 1.00 25.00 C ATOM 1150 O ASN A 75 -31.821 -7.436 1.468 1.00 25.00 O ATOM 1151 CB ASN A 75 -30.116 -5.918 3.733 1.00 25.00 C ATOM 1152 CG ASN A 75 -29.266 -6.294 4.940 1.00 25.00 C ATOM 1153 OD1 ASN A 75 -28.652 -7.363 4.984 1.00 25.00 O ATOM 1154 ND2 ASN A 75 -29.224 -5.408 5.929 1.00 25.00 N ATOM 0 H ASN A 75 -28.037 -5.475 2.489 1.00 25.00 H new ATOM 0 HA ASN A 75 -29.611 -7.758 2.686 1.00 25.00 H new ATOM 0 HB2 ASN A 75 -30.005 -4.851 3.538 1.00 25.00 H new ATOM 0 HB3 ASN A 75 -31.166 -6.092 3.969 1.00 25.00 H new ATOM 0 HD21 ASN A 75 -28.669 -5.601 6.763 1.00 25.00 H new ATOM 0 HD22 ASN A 75 -29.746 -4.535 5.854 1.00 25.00 H new ATOM 1161 N GLU A 76 -30.859 -5.589 0.581 1.00 25.00 N ATOM 1162 CA GLU A 76 -31.949 -5.321 -0.370 1.00 25.00 C ATOM 1163 C GLU A 76 -31.763 -6.085 -1.688 1.00 25.00 C ATOM 1164 O GLU A 76 -32.729 -6.293 -2.430 1.00 25.00 O ATOM 1165 CB GLU A 76 -32.059 -3.815 -0.647 1.00 25.00 C ATOM 1166 CG GLU A 76 -32.504 -2.994 0.561 1.00 25.00 C ATOM 1167 CD GLU A 76 -32.643 -1.518 0.248 1.00 25.00 C ATOM 1168 OE1 GLU A 76 -32.417 -1.134 -0.920 1.00 25.00 O ATOM 1169 OE2 GLU A 76 -32.977 -0.744 1.170 1.00 25.00 O ATOM 0 H GLU A 76 -30.073 -4.943 0.509 1.00 25.00 H new ATOM 0 HA GLU A 76 -32.873 -5.673 0.089 1.00 25.00 H new ATOM 0 HB2 GLU A 76 -31.091 -3.447 -0.988 1.00 25.00 H new ATOM 0 HB3 GLU A 76 -32.765 -3.656 -1.462 1.00 25.00 H new ATOM 0 HG2 GLU A 76 -33.459 -3.376 0.922 1.00 25.00 H new ATOM 0 HG3 GLU A 76 -31.783 -3.123 1.368 1.00 25.00 H new ATOM 1176 N GLY A 77 -30.520 -6.500 -1.968 1.00 25.00 N ATOM 1177 CA GLY A 77 -30.217 -7.237 -3.190 1.00 25.00 C ATOM 1178 C GLY A 77 -29.543 -6.380 -4.251 1.00 25.00 C ATOM 1179 O GLY A 77 -29.545 -6.736 -5.432 1.00 25.00 O ATOM 0 H GLY A 77 -29.715 -6.336 -1.364 1.00 25.00 H new ATOM 0 HA2 GLY A 77 -29.570 -8.080 -2.948 1.00 25.00 H new ATOM 0 HA3 GLY A 77 -31.140 -7.650 -3.597 1.00 25.00 H new ATOM 1183 N ASN A 78 -28.967 -5.251 -3.819 1.00 25.00 N ATOM 1184 CA ASN A 78 -28.242 -4.341 -4.713 1.00 25.00 C ATOM 1185 C ASN A 78 -26.763 -4.720 -4.764 1.00 25.00 C ATOM 1186 O ASN A 78 -26.204 -5.192 -3.768 1.00 25.00 O ATOM 1187 CB ASN A 78 -28.400 -2.887 -4.237 1.00 25.00 C ATOM 1188 CG ASN A 78 -29.817 -2.348 -4.402 1.00 25.00 C ATOM 1189 OD1 ASN A 78 -30.561 -2.768 -5.292 1.00 25.00 O ATOM 1190 ND2 ASN A 78 -30.196 -1.417 -3.536 1.00 25.00 N ATOM 0 H ASN A 78 -28.990 -4.945 -2.846 1.00 25.00 H new ATOM 0 HA ASN A 78 -28.662 -4.428 -5.715 1.00 25.00 H new ATOM 0 HB2 ASN A 78 -28.114 -2.823 -3.187 1.00 25.00 H new ATOM 0 HB3 ASN A 78 -27.710 -2.253 -4.794 1.00 25.00 H new ATOM 0 HD21 ASN A 78 -31.134 -1.021 -3.591 1.00 25.00 H new ATOM 0 HD22 ASN A 78 -29.549 -1.098 -2.815 1.00 25.00 H new ATOM 1197 N GLU A 79 -26.132 -4.506 -5.929 1.00 25.00 N ATOM 1198 CA GLU A 79 -24.743 -4.925 -6.150 1.00 25.00 C ATOM 1199 C GLU A 79 -23.758 -4.047 -5.373 1.00 25.00 C ATOM 1200 O GLU A 79 -23.627 -2.847 -5.637 1.00 25.00 O ATOM 1201 CB GLU A 79 -24.402 -4.904 -7.642 1.00 25.00 C ATOM 1202 CG GLU A 79 -23.038 -5.496 -7.982 1.00 25.00 C ATOM 1203 CD GLU A 79 -22.773 -5.593 -9.475 1.00 25.00 C ATOM 1204 OE1 GLU A 79 -23.597 -6.205 -10.188 1.00 25.00 O ATOM 1205 OE2 GLU A 79 -21.742 -5.052 -9.931 1.00 25.00 O ATOM 0 H GLU A 79 -26.563 -4.045 -6.731 1.00 25.00 H new ATOM 0 HA GLU A 79 -24.649 -5.946 -5.779 1.00 25.00 H new ATOM 0 HB2 GLU A 79 -25.170 -5.454 -8.186 1.00 25.00 H new ATOM 0 HB3 GLU A 79 -24.437 -3.874 -7.996 1.00 25.00 H new ATOM 0 HG2 GLU A 79 -22.261 -4.885 -7.522 1.00 25.00 H new ATOM 0 HG3 GLU A 79 -22.963 -6.491 -7.543 1.00 25.00 H new ATOM 1212 N VAL A 80 -23.080 -4.671 -4.410 1.00 25.00 N ATOM 1213 CA VAL A 80 -22.032 -4.016 -3.633 1.00 25.00 C ATOM 1214 C VAL A 80 -20.703 -4.725 -3.882 1.00 25.00 C ATOM 1215 O VAL A 80 -20.437 -5.797 -3.327 1.00 25.00 O ATOM 1216 CB VAL A 80 -22.353 -3.952 -2.104 1.00 25.00 C ATOM 1217 CG1 VAL A 80 -21.245 -3.225 -1.354 1.00 25.00 C ATOM 1218 CG2 VAL A 80 -23.701 -3.289 -1.814 1.00 25.00 C ATOM 0 H VAL A 80 -23.243 -5.643 -4.148 1.00 25.00 H new ATOM 0 HA VAL A 80 -21.969 -2.981 -3.968 1.00 25.00 H new ATOM 0 HB VAL A 80 -22.414 -4.982 -1.754 1.00 25.00 H new ATOM 0 HG11 VAL A 80 -21.487 -3.191 -0.292 1.00 25.00 H new ATOM 0 HG12 VAL A 80 -20.302 -3.754 -1.495 1.00 25.00 H new ATOM 0 HG13 VAL A 80 -21.152 -2.209 -1.738 1.00 25.00 H new ATOM 0 HG21 VAL A 80 -23.874 -3.271 -0.738 1.00 25.00 H new ATOM 0 HG22 VAL A 80 -23.695 -2.269 -2.198 1.00 25.00 H new ATOM 0 HG23 VAL A 80 -24.496 -3.854 -2.300 1.00 25.00 H new ATOM 1228 N VAL A 81 -19.882 -4.118 -4.733 1.00 25.00 N ATOM 1229 CA VAL A 81 -18.654 -4.751 -5.201 1.00 25.00 C ATOM 1230 C VAL A 81 -17.444 -4.387 -4.299 1.00 25.00 C ATOM 1231 O VAL A 81 -17.214 -3.206 -4.027 1.00 25.00 O ATOM 1232 CB VAL A 81 -18.395 -4.431 -6.716 1.00 25.00 C ATOM 1233 CG1 VAL A 81 -17.055 -4.977 -7.207 1.00 25.00 C ATOM 1234 CG2 VAL A 81 -19.534 -4.912 -7.621 1.00 25.00 C ATOM 0 H VAL A 81 -20.046 -3.186 -5.113 1.00 25.00 H new ATOM 0 HA VAL A 81 -18.781 -5.831 -5.123 1.00 25.00 H new ATOM 0 HB VAL A 81 -18.356 -3.344 -6.782 1.00 25.00 H new ATOM 0 HG11 VAL A 81 -16.925 -4.729 -8.260 1.00 25.00 H new ATOM 0 HG12 VAL A 81 -16.246 -4.532 -6.627 1.00 25.00 H new ATOM 0 HG13 VAL A 81 -17.037 -6.060 -7.085 1.00 25.00 H new ATOM 0 HG21 VAL A 81 -19.304 -4.666 -8.658 1.00 25.00 H new ATOM 0 HG22 VAL A 81 -19.647 -5.992 -7.521 1.00 25.00 H new ATOM 0 HG23 VAL A 81 -20.463 -4.422 -7.329 1.00 25.00 H new ATOM 1244 N PRO A 82 -16.659 -5.414 -3.818 1.00 25.00 N ATOM 1245 CA PRO A 82 -15.474 -5.193 -2.951 1.00 25.00 C ATOM 1246 C PRO A 82 -14.397 -4.322 -3.605 1.00 25.00 C ATOM 1247 O PRO A 82 -14.040 -4.518 -4.771 1.00 25.00 O ATOM 1248 CB PRO A 82 -14.940 -6.613 -2.703 1.00 25.00 C ATOM 1249 CG PRO A 82 -16.127 -7.484 -2.876 1.00 25.00 C ATOM 1250 CD PRO A 82 -16.864 -6.869 -4.048 1.00 25.00 C ATOM 0 HA PRO A 82 -15.744 -4.654 -2.043 1.00 25.00 H new ATOM 0 HB2 PRO A 82 -14.151 -6.871 -3.409 1.00 25.00 H new ATOM 0 HB3 PRO A 82 -14.517 -6.710 -1.703 1.00 25.00 H new ATOM 0 HG2 PRO A 82 -15.839 -8.515 -3.082 1.00 25.00 H new ATOM 0 HG3 PRO A 82 -16.746 -7.499 -1.979 1.00 25.00 H new ATOM 0 HD2 PRO A 82 -16.451 -7.192 -5.004 1.00 25.00 H new ATOM 0 HD3 PRO A 82 -17.921 -7.136 -4.050 1.00 25.00 H new ATOM 1258 N LYS A 83 -13.894 -3.363 -2.826 1.00 25.00 N ATOM 1259 CA LYS A 83 -12.922 -2.371 -3.305 1.00 25.00 C ATOM 1260 C LYS A 83 -11.462 -2.803 -3.000 1.00 25.00 C ATOM 1261 O LYS A 83 -11.247 -3.664 -2.140 1.00 25.00 O ATOM 1262 CB LYS A 83 -13.253 -0.990 -2.690 1.00 25.00 C ATOM 1263 CG LYS A 83 -14.577 -0.384 -3.159 1.00 25.00 C ATOM 1264 CD LYS A 83 -14.869 0.982 -2.529 1.00 25.00 C ATOM 1265 CE LYS A 83 -16.182 1.596 -3.015 1.00 25.00 C ATOM 1266 NZ LYS A 83 -16.507 2.870 -2.314 1.00 25.00 N ATOM 0 H LYS A 83 -14.147 -3.250 -1.844 1.00 25.00 H new ATOM 0 HA LYS A 83 -12.998 -2.299 -4.390 1.00 25.00 H new ATOM 0 HB2 LYS A 83 -13.277 -1.087 -1.605 1.00 25.00 H new ATOM 0 HB3 LYS A 83 -12.446 -0.297 -2.930 1.00 25.00 H new ATOM 0 HG2 LYS A 83 -14.558 -0.281 -4.244 1.00 25.00 H new ATOM 0 HG3 LYS A 83 -15.389 -1.070 -2.918 1.00 25.00 H new ATOM 0 HD2 LYS A 83 -14.903 0.876 -1.445 1.00 25.00 H new ATOM 0 HD3 LYS A 83 -14.049 1.664 -2.757 1.00 25.00 H new ATOM 0 HE2 LYS A 83 -16.119 1.780 -4.087 1.00 25.00 H new ATOM 0 HE3 LYS A 83 -16.992 0.883 -2.861 1.00 25.00 H new ATOM 0 HZ1 LYS A 83 -17.405 3.247 -2.678 1.00 25.00 H new ATOM 0 HZ2 LYS A 83 -16.595 2.692 -1.293 1.00 25.00 H new ATOM 0 HZ3 LYS A 83 -15.748 3.561 -2.481 1.00 25.00 H new ATOM 1335 N HIS A 87 -1.676 -0.794 1.258 1.00 25.00 N ATOM 1336 CA HIS A 87 -0.715 -0.983 2.355 1.00 25.00 C ATOM 1337 C HIS A 87 0.245 0.211 2.442 1.00 25.00 C ATOM 1338 O HIS A 87 1.067 0.424 1.547 1.00 25.00 O ATOM 1339 CB HIS A 87 0.082 -2.289 2.159 1.00 25.00 C ATOM 1340 CG HIS A 87 -0.753 -3.485 1.802 1.00 25.00 C ATOM 1341 ND1 HIS A 87 -1.440 -4.230 2.738 1.00 25.00 N ATOM 1342 CD2 HIS A 87 -0.983 -4.081 0.606 1.00 25.00 C ATOM 1343 CE1 HIS A 87 -2.054 -5.235 2.134 1.00 25.00 C ATOM 1344 NE2 HIS A 87 -1.793 -5.164 0.841 1.00 25.00 N ATOM 0 HA HIS A 87 -1.274 -1.052 3.288 1.00 25.00 H new ATOM 0 HB2 HIS A 87 0.823 -2.133 1.375 1.00 25.00 H new ATOM 0 HB3 HIS A 87 0.630 -2.506 3.076 1.00 25.00 H new ATOM 0 HD2 HIS A 87 -0.600 -3.763 -0.353 1.00 25.00 H new ATOM 0 HE1 HIS A 87 -2.664 -5.985 2.616 1.00 25.00 H new ATOM 0 HE2 HIS A 87 -2.138 -5.810 0.131 1.00 25.00 H new ATOM 1353 N MET A 88 0.142 0.979 3.534 1.00 25.00 N ATOM 1354 CA MET A 88 0.924 2.212 3.699 1.00 25.00 C ATOM 1355 C MET A 88 2.136 1.988 4.617 1.00 25.00 C ATOM 1356 O MET A 88 2.040 1.299 5.637 1.00 25.00 O ATOM 1357 CB MET A 88 0.027 3.326 4.265 1.00 25.00 C ATOM 1358 CG MET A 88 -1.131 3.729 3.364 1.00 25.00 C ATOM 1359 SD MET A 88 -0.927 5.386 2.695 1.00 25.00 S ATOM 1360 CE MET A 88 -2.477 6.135 3.177 1.00 25.00 C ATOM 0 H MET A 88 -0.476 0.768 4.318 1.00 25.00 H new ATOM 0 HA MET A 88 1.299 2.511 2.720 1.00 25.00 H new ATOM 0 HB2 MET A 88 -0.374 2.999 5.224 1.00 25.00 H new ATOM 0 HB3 MET A 88 0.641 4.205 4.459 1.00 25.00 H new ATOM 0 HG2 MET A 88 -1.216 3.016 2.544 1.00 25.00 H new ATOM 0 HG3 MET A 88 -2.062 3.679 3.928 1.00 25.00 H new ATOM 0 HE1 MET A 88 -2.504 7.169 2.833 1.00 25.00 H new ATOM 0 HE2 MET A 88 -3.303 5.582 2.729 1.00 25.00 H new ATOM 0 HE3 MET A 88 -2.571 6.111 4.263 1.00 25.00 H new ATOM 1370 N PHE A 89 3.270 2.586 4.227 1.00 25.00 N ATOM 1371 CA PHE A 89 4.509 2.530 5.011 1.00 25.00 C ATOM 1372 C PHE A 89 5.084 3.939 5.171 1.00 25.00 C ATOM 1373 O PHE A 89 5.250 4.651 4.184 1.00 25.00 O ATOM 1374 CB PHE A 89 5.579 1.657 4.326 1.00 25.00 C ATOM 1375 CG PHE A 89 5.239 0.197 4.159 1.00 25.00 C ATOM 1376 CD1 PHE A 89 4.538 -0.247 3.053 1.00 25.00 C ATOM 1377 CD2 PHE A 89 5.615 -0.723 5.125 1.00 25.00 C ATOM 1378 CE1 PHE A 89 4.221 -1.583 2.909 1.00 25.00 C ATOM 1379 CE2 PHE A 89 5.301 -2.060 4.992 1.00 25.00 C ATOM 1380 CZ PHE A 89 4.626 -2.489 3.820 1.00 25.00 C ATOM 0 H PHE A 89 3.353 3.120 3.362 1.00 25.00 H new ATOM 0 HA PHE A 89 4.259 2.095 5.979 1.00 25.00 H new ATOM 0 HB2 PHE A 89 5.784 2.076 3.341 1.00 25.00 H new ATOM 0 HB3 PHE A 89 6.501 1.730 4.902 1.00 25.00 H new ATOM 0 HD1 PHE A 89 4.235 0.459 2.294 1.00 25.00 H new ATOM 0 HD2 PHE A 89 6.162 -0.389 5.994 1.00 25.00 H new ATOM 0 HE1 PHE A 89 3.642 -1.905 2.056 1.00 25.00 H new ATOM 0 HE2 PHE A 89 5.564 -2.767 5.765 1.00 25.00 H new ATOM 0 HZ PHE A 89 4.437 -3.540 3.659 1.00 25.00 H new ATOM 1390 N SER A 90 5.409 4.332 6.405 1.00 25.00 N ATOM 1391 CA SER A 90 5.995 5.657 6.665 1.00 25.00 C ATOM 1392 C SER A 90 7.512 5.643 6.457 1.00 25.00 C ATOM 1393 O SER A 90 8.183 4.651 6.749 1.00 25.00 O ATOM 1394 CB SER A 90 5.653 6.127 8.074 1.00 25.00 C ATOM 1395 OG SER A 90 4.336 6.647 8.136 1.00 25.00 O ATOM 0 H SER A 90 5.279 3.758 7.238 1.00 25.00 H new ATOM 0 HA SER A 90 5.565 6.359 5.950 1.00 25.00 H new ATOM 0 HB2 SER A 90 5.751 5.295 8.771 1.00 25.00 H new ATOM 0 HB3 SER A 90 6.364 6.892 8.388 1.00 25.00 H new ATOM 0 HG SER A 90 4.143 6.940 9.051 1.00 25.00 H new ATOM 1401 N PHE A 91 8.030 6.761 5.949 1.00 25.00 N ATOM 1402 CA PHE A 91 9.440 6.877 5.557 1.00 25.00 C ATOM 1403 C PHE A 91 10.106 8.103 6.190 1.00 25.00 C ATOM 1404 O PHE A 91 9.460 8.878 6.900 1.00 25.00 O ATOM 1405 CB PHE A 91 9.543 6.960 4.025 1.00 25.00 C ATOM 1406 CG PHE A 91 9.425 5.633 3.321 1.00 25.00 C ATOM 1407 CD1 PHE A 91 8.231 4.927 3.322 1.00 25.00 C ATOM 1408 CD2 PHE A 91 10.511 5.098 2.641 1.00 25.00 C ATOM 1409 CE1 PHE A 91 8.127 3.718 2.662 1.00 25.00 C ATOM 1410 CE2 PHE A 91 10.410 3.887 1.981 1.00 25.00 C ATOM 1411 CZ PHE A 91 9.215 3.198 1.993 1.00 25.00 C ATOM 0 H PHE A 91 7.488 7.612 5.797 1.00 25.00 H new ATOM 0 HA PHE A 91 9.964 5.992 5.918 1.00 25.00 H new ATOM 0 HB2 PHE A 91 8.762 7.624 3.656 1.00 25.00 H new ATOM 0 HB3 PHE A 91 10.498 7.414 3.761 1.00 25.00 H new ATOM 0 HD1 PHE A 91 7.374 5.327 3.844 1.00 25.00 H new ATOM 0 HD2 PHE A 91 11.448 5.635 2.627 1.00 25.00 H new ATOM 0 HE1 PHE A 91 7.191 3.179 2.670 1.00 25.00 H new ATOM 0 HE2 PHE A 91 11.264 3.482 1.458 1.00 25.00 H new ATOM 0 HZ PHE A 91 9.132 2.252 1.479 1.00 25.00 H new ATOM 1421 N ASN A 92 11.419 8.243 5.948 1.00 25.00 N ATOM 1422 CA ASN A 92 12.191 9.391 6.428 1.00 25.00 C ATOM 1423 C ASN A 92 12.862 10.133 5.256 1.00 25.00 C ATOM 1424 O ASN A 92 13.277 11.287 5.407 1.00 25.00 O ATOM 1425 CB ASN A 92 13.245 8.919 7.447 1.00 25.00 C ATOM 1426 CG ASN A 92 12.640 8.255 8.676 1.00 25.00 C ATOM 1427 OD1 ASN A 92 12.028 8.917 9.514 1.00 25.00 O ATOM 1428 ND2 ASN A 92 12.814 6.943 8.788 1.00 25.00 N ATOM 0 H ASN A 92 11.968 7.567 5.418 1.00 25.00 H new ATOM 0 HA ASN A 92 11.512 10.089 6.917 1.00 25.00 H new ATOM 0 HB2 ASN A 92 13.922 8.217 6.960 1.00 25.00 H new ATOM 0 HB3 ASN A 92 13.844 9.774 7.762 1.00 25.00 H new ATOM 0 HD21 ASN A 92 12.433 6.445 9.593 1.00 25.00 H new ATOM 0 HD22 ASN A 92 13.328 6.434 8.069 1.00 25.00 H new ATOM 1435 N ASN A 93 12.965 9.463 4.093 1.00 25.00 N ATOM 1436 CA ASN A 93 13.620 10.033 2.905 1.00 25.00 C ATOM 1437 C ASN A 93 12.871 9.650 1.624 1.00 25.00 C ATOM 1438 O ASN A 93 12.347 8.539 1.503 1.00 25.00 O ATOM 1439 CB ASN A 93 15.078 9.555 2.809 1.00 25.00 C ATOM 1440 CG ASN A 93 15.899 10.347 1.806 1.00 25.00 C ATOM 1441 OD1 ASN A 93 15.354 11.049 0.955 1.00 25.00 O ATOM 1442 ND2 ASN A 93 17.220 10.234 1.901 1.00 25.00 N ATOM 0 H ASN A 93 12.600 8.521 3.953 1.00 25.00 H new ATOM 0 HA ASN A 93 13.603 11.118 3.009 1.00 25.00 H new ATOM 0 HB2 ASN A 93 15.544 9.630 3.791 1.00 25.00 H new ATOM 0 HB3 ASN A 93 15.091 8.502 2.529 1.00 25.00 H new ATOM 0 HD21 ASN A 93 17.823 10.741 1.253 1.00 25.00 H new ATOM 0 HD22 ASN A 93 17.631 9.641 2.622 1.00 25.00 H new ATOM 1449 N ARG A 94 12.832 10.599 0.672 1.00 25.00 N ATOM 1450 CA ARG A 94 12.163 10.414 -0.632 1.00 25.00 C ATOM 1451 C ARG A 94 12.974 9.523 -1.573 1.00 25.00 C ATOM 1452 O ARG A 94 12.410 8.859 -2.448 1.00 25.00 O ATOM 1453 CB ARG A 94 11.952 11.761 -1.332 1.00 25.00 C ATOM 1454 CG ARG A 94 11.293 11.704 -2.707 1.00 25.00 C ATOM 1455 CD ARG A 94 11.904 12.676 -3.716 1.00 25.00 C ATOM 1456 NE ARG A 94 11.819 12.196 -5.116 1.00 25.00 N ATOM 1457 CZ ARG A 94 12.806 12.240 -6.038 1.00 25.00 C ATOM 1458 NH1 ARG A 94 14.012 12.725 -5.750 1.00 25.00 N ATOM 1459 NH2 ARG A 94 12.575 11.778 -7.258 1.00 25.00 N ATOM 0 H ARG A 94 13.263 11.517 0.783 1.00 25.00 H new ATOM 0 HA ARG A 94 11.206 9.937 -0.418 1.00 25.00 H new ATOM 0 HB2 ARG A 94 11.343 12.393 -0.685 1.00 25.00 H new ATOM 0 HB3 ARG A 94 12.921 12.250 -1.435 1.00 25.00 H new ATOM 0 HG2 ARG A 94 11.372 10.689 -3.098 1.00 25.00 H new ATOM 0 HG3 ARG A 94 10.230 11.923 -2.601 1.00 25.00 H new ATOM 0 HD2 ARG A 94 11.397 13.638 -3.637 1.00 25.00 H new ATOM 0 HD3 ARG A 94 12.950 12.845 -3.460 1.00 25.00 H new ATOM 0 HE ARG A 94 10.930 11.794 -5.412 1.00 25.00 H new ATOM 0 HH11 ARG A 94 14.210 13.076 -4.813 1.00 25.00 H new ATOM 0 HH12 ARG A 94 14.738 12.746 -6.466 1.00 25.00 H new ATOM 0 HH21 ARG A 94 11.660 11.394 -7.493 1.00 25.00 H new ATOM 0 HH22 ARG A 94 13.312 11.806 -7.962 1.00 25.00 H new ATOM 1473 N THR A 95 14.300 9.528 -1.392 1.00 25.00 N ATOM 1474 CA THR A 95 15.222 8.781 -2.256 1.00 25.00 C ATOM 1475 C THR A 95 15.107 7.264 -2.021 1.00 25.00 C ATOM 1476 O THR A 95 15.464 6.473 -2.896 1.00 25.00 O ATOM 1477 CB THR A 95 16.689 9.243 -2.036 1.00 25.00 C ATOM 1478 OG1 THR A 95 17.072 9.015 -0.673 1.00 25.00 O ATOM 1479 CG2 THR A 95 16.875 10.728 -2.352 1.00 25.00 C ATOM 0 H THR A 95 14.763 10.047 -0.646 1.00 25.00 H new ATOM 0 HA THR A 95 14.940 8.990 -3.288 1.00 25.00 H new ATOM 0 HB THR A 95 17.315 8.663 -2.715 1.00 25.00 H new ATOM 0 HG1 THR A 95 17.998 9.307 -0.540 1.00 25.00 H new ATOM 0 HG21 THR A 95 17.915 11.008 -2.185 1.00 25.00 H new ATOM 0 HG22 THR A 95 16.612 10.914 -3.393 1.00 25.00 H new ATOM 0 HG23 THR A 95 16.231 11.321 -1.704 1.00 25.00 H new ATOM 1487 N VAL A 96 14.597 6.872 -0.842 1.00 25.00 N ATOM 1488 CA VAL A 96 14.346 5.458 -0.540 1.00 25.00 C ATOM 1489 C VAL A 96 13.016 5.030 -1.183 1.00 25.00 C ATOM 1490 O VAL A 96 13.023 4.207 -2.089 1.00 25.00 O ATOM 1491 CB VAL A 96 14.335 5.153 0.995 1.00 25.00 C ATOM 1492 CG1 VAL A 96 14.053 3.674 1.266 1.00 25.00 C ATOM 1493 CG2 VAL A 96 15.655 5.546 1.656 1.00 25.00 C ATOM 0 H VAL A 96 14.352 7.513 -0.087 1.00 25.00 H new ATOM 0 HA VAL A 96 15.170 4.881 -0.960 1.00 25.00 H new ATOM 0 HB VAL A 96 13.534 5.753 1.428 1.00 25.00 H new ATOM 0 HG11 VAL A 96 14.052 3.495 2.341 1.00 25.00 H new ATOM 0 HG12 VAL A 96 13.080 3.407 0.853 1.00 25.00 H new ATOM 0 HG13 VAL A 96 14.826 3.064 0.797 1.00 25.00 H new ATOM 0 HG21 VAL A 96 15.610 5.320 2.721 1.00 25.00 H new ATOM 0 HG22 VAL A 96 16.471 4.986 1.200 1.00 25.00 H new ATOM 0 HG23 VAL A 96 15.827 6.614 1.519 1.00 25.00 H new ATOM 1503 N MET A 97 11.890 5.650 -0.754 1.00 25.00 N ATOM 1504 CA MET A 97 10.533 5.316 -1.268 1.00 25.00 C ATOM 1505 C MET A 97 10.488 5.204 -2.798 1.00 25.00 C ATOM 1506 O MET A 97 9.836 4.309 -3.334 1.00 25.00 O ATOM 1507 CB MET A 97 9.479 6.345 -0.795 1.00 25.00 C ATOM 1508 CG MET A 97 9.620 7.737 -1.392 1.00 25.00 C ATOM 1509 SD MET A 97 8.338 8.888 -0.847 1.00 25.00 S ATOM 1510 CE MET A 97 8.785 9.149 0.869 1.00 25.00 C ATOM 0 H MET A 97 11.892 6.388 -0.050 1.00 25.00 H new ATOM 0 HA MET A 97 10.292 4.337 -0.853 1.00 25.00 H new ATOM 0 HB2 MET A 97 8.487 5.962 -1.036 1.00 25.00 H new ATOM 0 HB3 MET A 97 9.534 6.425 0.291 1.00 25.00 H new ATOM 0 HG2 MET A 97 10.597 8.141 -1.126 1.00 25.00 H new ATOM 0 HG3 MET A 97 9.592 7.662 -2.479 1.00 25.00 H new ATOM 0 HE1 MET A 97 7.984 8.786 1.513 1.00 25.00 H new ATOM 0 HE2 MET A 97 9.704 8.607 1.092 1.00 25.00 H new ATOM 0 HE3 MET A 97 8.939 10.213 1.047 1.00 25.00 H new ATOM 1520 N ASP A 98 11.188 6.121 -3.481 1.00 25.00 N ATOM 1521 CA ASP A 98 11.272 6.108 -4.948 1.00 25.00 C ATOM 1522 C ASP A 98 12.100 4.920 -5.461 1.00 25.00 C ATOM 1523 O ASP A 98 11.823 4.408 -6.539 1.00 25.00 O ATOM 1524 CB ASP A 98 11.876 7.430 -5.448 1.00 25.00 C ATOM 1525 CG ASP A 98 10.872 8.572 -5.468 1.00 25.00 C ATOM 1526 OD1 ASP A 98 9.683 8.321 -5.184 1.00 25.00 O ATOM 1527 OD2 ASP A 98 11.277 9.714 -5.769 1.00 25.00 O ATOM 0 H ASP A 98 11.705 6.882 -3.040 1.00 25.00 H new ATOM 0 HA ASP A 98 10.261 5.997 -5.340 1.00 25.00 H new ATOM 0 HB2 ASP A 98 12.716 7.703 -4.810 1.00 25.00 H new ATOM 0 HB3 ASP A 98 12.273 7.285 -6.453 1.00 25.00 H new ATOM 1532 N ASN A 99 13.098 4.492 -4.675 1.00 25.00 N ATOM 1533 CA ASN A 99 13.954 3.350 -5.029 1.00 25.00 C ATOM 1534 C ASN A 99 13.305 2.003 -4.671 1.00 25.00 C ATOM 1535 O ASN A 99 13.521 1.012 -5.376 1.00 25.00 O ATOM 1536 CB ASN A 99 15.318 3.480 -4.336 1.00 25.00 C ATOM 1537 CG ASN A 99 16.243 4.485 -5.009 1.00 25.00 C ATOM 1538 OD1 ASN A 99 15.915 5.059 -6.051 1.00 25.00 O ATOM 1539 ND2 ASN A 99 17.415 4.693 -4.422 1.00 25.00 N ATOM 0 H ASN A 99 13.334 4.924 -3.782 1.00 25.00 H new ATOM 0 HA ASN A 99 14.090 3.367 -6.110 1.00 25.00 H new ATOM 0 HB2 ASN A 99 15.164 3.777 -3.299 1.00 25.00 H new ATOM 0 HB3 ASN A 99 15.804 2.504 -4.319 1.00 25.00 H new ATOM 0 HD21 ASN A 99 18.082 5.347 -4.832 1.00 25.00 H new ATOM 0 HD22 ASN A 99 17.649 4.199 -3.561 1.00 25.00 H new ATOM 1546 N ILE A 100 12.516 1.964 -3.576 1.00 25.00 N ATOM 1547 CA ILE A 100 11.715 0.771 -3.232 1.00 25.00 C ATOM 1548 C ILE A 100 10.583 0.616 -4.269 1.00 25.00 C ATOM 1549 O ILE A 100 10.446 -0.439 -4.885 1.00 25.00 O ATOM 1550 CB ILE A 100 11.118 0.839 -1.769 1.00 25.00 C ATOM 1551 CG1 ILE A 100 12.225 0.926 -0.675 1.00 25.00 C ATOM 1552 CG2 ILE A 100 10.186 -0.347 -1.462 1.00 25.00 C ATOM 1553 CD1 ILE A 100 13.259 -0.195 -0.651 1.00 25.00 C ATOM 0 H ILE A 100 12.417 2.739 -2.920 1.00 25.00 H new ATOM 0 HA ILE A 100 12.374 -0.097 -3.255 1.00 25.00 H new ATOM 0 HB ILE A 100 10.533 1.758 -1.740 1.00 25.00 H new ATOM 0 HG12 ILE A 100 12.752 1.872 -0.800 1.00 25.00 H new ATOM 0 HG13 ILE A 100 11.738 0.959 0.299 1.00 25.00 H new ATOM 0 HG21 ILE A 100 9.802 -0.254 -0.446 1.00 25.00 H new ATOM 0 HG22 ILE A 100 9.354 -0.347 -2.166 1.00 25.00 H new ATOM 0 HG23 ILE A 100 10.741 -1.280 -1.556 1.00 25.00 H new ATOM 0 HD11 ILE A 100 13.971 -0.016 0.155 1.00 25.00 H new ATOM 0 HD12 ILE A 100 12.758 -1.149 -0.487 1.00 25.00 H new ATOM 0 HD13 ILE A 100 13.788 -0.222 -1.603 1.00 25.00 H new ATOM 1565 N LYS A 101 9.811 1.704 -4.468 1.00 25.00 N ATOM 1566 CA LYS A 101 8.743 1.777 -5.481 1.00 25.00 C ATOM 1567 C LYS A 101 9.258 1.417 -6.879 1.00 25.00 C ATOM 1568 O LYS A 101 8.606 0.671 -7.597 1.00 25.00 O ATOM 1569 CB LYS A 101 8.137 3.183 -5.476 1.00 25.00 C ATOM 1570 CG LYS A 101 6.992 3.372 -6.469 1.00 25.00 C ATOM 1571 CD LYS A 101 6.371 4.766 -6.374 1.00 25.00 C ATOM 1572 CE LYS A 101 5.655 5.194 -7.656 1.00 25.00 C ATOM 1573 NZ LYS A 101 5.052 6.552 -7.542 1.00 25.00 N ATOM 0 H LYS A 101 9.914 2.562 -3.925 1.00 25.00 H new ATOM 0 HA LYS A 101 7.976 1.046 -5.225 1.00 25.00 H new ATOM 0 HB2 LYS A 101 7.774 3.407 -4.473 1.00 25.00 H new ATOM 0 HB3 LYS A 101 8.921 3.906 -5.700 1.00 25.00 H new ATOM 0 HG2 LYS A 101 7.361 3.208 -7.482 1.00 25.00 H new ATOM 0 HG3 LYS A 101 6.225 2.621 -6.284 1.00 25.00 H new ATOM 0 HD2 LYS A 101 5.663 4.786 -5.546 1.00 25.00 H new ATOM 0 HD3 LYS A 101 7.152 5.490 -6.143 1.00 25.00 H new ATOM 0 HE2 LYS A 101 6.362 5.182 -8.486 1.00 25.00 H new ATOM 0 HE3 LYS A 101 4.874 4.471 -7.892 1.00 25.00 H new ATOM 0 HZ1 LYS A 101 4.578 6.798 -8.435 1.00 25.00 H new ATOM 0 HZ2 LYS A 101 4.357 6.560 -6.768 1.00 25.00 H new ATOM 0 HZ3 LYS A 101 5.799 7.248 -7.343 1.00 25.00 H new ATOM 1587 N MET A 102 10.443 1.934 -7.234 1.00 25.00 N ATOM 1588 CA MET A 102 11.117 1.609 -8.507 1.00 25.00 C ATOM 1589 C MET A 102 11.263 0.087 -8.696 1.00 25.00 C ATOM 1590 O MET A 102 10.867 -0.443 -9.732 1.00 25.00 O ATOM 1591 CB MET A 102 12.492 2.296 -8.532 1.00 25.00 C ATOM 1592 CG MET A 102 13.327 2.056 -9.788 1.00 25.00 C ATOM 1593 SD MET A 102 14.966 2.817 -9.711 1.00 25.00 S ATOM 1594 CE MET A 102 15.766 1.840 -8.435 1.00 25.00 C ATOM 0 H MET A 102 10.964 2.589 -6.650 1.00 25.00 H new ATOM 0 HA MET A 102 10.508 1.976 -9.333 1.00 25.00 H new ATOM 0 HB2 MET A 102 12.344 3.370 -8.416 1.00 25.00 H new ATOM 0 HB3 MET A 102 13.063 1.957 -7.668 1.00 25.00 H new ATOM 0 HG2 MET A 102 13.439 0.983 -9.942 1.00 25.00 H new ATOM 0 HG3 MET A 102 12.792 2.448 -10.653 1.00 25.00 H new ATOM 0 HE1 MET A 102 16.815 1.693 -8.693 1.00 25.00 H new ATOM 0 HE2 MET A 102 15.697 2.361 -7.480 1.00 25.00 H new ATOM 0 HE3 MET A 102 15.273 0.871 -8.356 1.00 25.00 H new ATOM 1604 N THR A 103 11.822 -0.597 -7.681 1.00 25.00 N ATOM 1605 CA THR A 103 11.940 -2.063 -7.691 1.00 25.00 C ATOM 1606 C THR A 103 10.543 -2.702 -7.793 1.00 25.00 C ATOM 1607 O THR A 103 10.251 -3.371 -8.778 1.00 25.00 O ATOM 1608 CB THR A 103 12.689 -2.571 -6.426 1.00 25.00 C ATOM 1609 OG1 THR A 103 13.981 -1.956 -6.352 1.00 25.00 O ATOM 1610 CG2 THR A 103 12.865 -4.095 -6.425 1.00 25.00 C ATOM 0 H THR A 103 12.199 -0.155 -6.843 1.00 25.00 H new ATOM 0 HA THR A 103 12.525 -2.358 -8.562 1.00 25.00 H new ATOM 0 HB THR A 103 12.082 -2.301 -5.562 1.00 25.00 H new ATOM 0 HG1 THR A 103 13.885 -1.028 -6.053 1.00 25.00 H new ATOM 0 HG21 THR A 103 13.393 -4.400 -5.522 1.00 25.00 H new ATOM 0 HG22 THR A 103 11.886 -4.574 -6.452 1.00 25.00 H new ATOM 0 HG23 THR A 103 13.441 -4.395 -7.301 1.00 25.00 H new ATOM 1618 N LEU A 104 9.678 -2.410 -6.798 1.00 25.00 N ATOM 1619 CA LEU A 104 8.271 -2.863 -6.757 1.00 25.00 C ATOM 1620 C LEU A 104 7.604 -2.715 -8.130 1.00 25.00 C ATOM 1621 O LEU A 104 7.202 -3.697 -8.738 1.00 25.00 O ATOM 1622 CB LEU A 104 7.494 -2.010 -5.722 1.00 25.00 C ATOM 1623 CG LEU A 104 7.888 -2.174 -4.246 1.00 25.00 C ATOM 1624 CD1 LEU A 104 7.170 -1.148 -3.380 1.00 25.00 C ATOM 1625 CD2 LEU A 104 7.562 -3.559 -3.722 1.00 25.00 C ATOM 0 H LEU A 104 9.941 -1.846 -5.990 1.00 25.00 H new ATOM 0 HA LEU A 104 8.254 -3.916 -6.475 1.00 25.00 H new ATOM 0 HB2 LEU A 104 7.614 -0.960 -5.990 1.00 25.00 H new ATOM 0 HB3 LEU A 104 6.434 -2.244 -5.818 1.00 25.00 H new ATOM 0 HG LEU A 104 8.966 -2.022 -4.193 1.00 25.00 H new ATOM 0 HD11 LEU A 104 7.463 -1.282 -2.339 1.00 25.00 H new ATOM 0 HD12 LEU A 104 7.440 -0.144 -3.707 1.00 25.00 H new ATOM 0 HD13 LEU A 104 6.092 -1.283 -3.474 1.00 25.00 H new ATOM 0 HD21 LEU A 104 7.857 -3.631 -2.675 1.00 25.00 H new ATOM 0 HD22 LEU A 104 6.490 -3.738 -3.810 1.00 25.00 H new ATOM 0 HD23 LEU A 104 8.104 -4.305 -4.304 1.00 25.00 H new ATOM 1637 N GLN A 105 7.574 -1.471 -8.624 1.00 25.00 N ATOM 1638 CA GLN A 105 7.002 -1.114 -9.946 1.00 25.00 C ATOM 1639 C GLN A 105 7.505 -2.008 -11.091 1.00 25.00 C ATOM 1640 O GLN A 105 6.762 -2.296 -12.034 1.00 25.00 O ATOM 1641 CB GLN A 105 7.345 0.348 -10.278 1.00 25.00 C ATOM 1642 CG GLN A 105 6.722 0.861 -11.569 1.00 25.00 C ATOM 1643 CD GLN A 105 6.932 2.350 -11.763 1.00 25.00 C ATOM 1644 OE1 GLN A 105 7.515 3.023 -10.912 1.00 25.00 O ATOM 1645 NE2 GLN A 105 6.452 2.874 -12.886 1.00 25.00 N ATOM 0 H GLN A 105 7.948 -0.669 -8.118 1.00 25.00 H new ATOM 0 HA GLN A 105 5.925 -1.262 -9.866 1.00 25.00 H new ATOM 0 HB2 GLN A 105 7.018 0.982 -9.454 1.00 25.00 H new ATOM 0 HB3 GLN A 105 8.428 0.448 -10.346 1.00 25.00 H new ATOM 0 HG2 GLN A 105 7.151 0.324 -12.415 1.00 25.00 H new ATOM 0 HG3 GLN A 105 5.654 0.646 -11.564 1.00 25.00 H new ATOM 0 HE21 GLN A 105 5.976 2.279 -13.564 1.00 25.00 H new ATOM 0 HE22 GLN A 105 6.560 3.871 -13.070 1.00 25.00 H new ATOM 1654 N GLN A 106 8.765 -2.439 -10.989 1.00 25.00 N ATOM 1655 CA GLN A 106 9.399 -3.294 -11.998 1.00 25.00 C ATOM 1656 C GLN A 106 9.012 -4.769 -11.799 1.00 25.00 C ATOM 1657 O GLN A 106 9.133 -5.576 -12.721 1.00 25.00 O ATOM 1658 CB GLN A 106 10.927 -3.112 -11.944 1.00 25.00 C ATOM 1659 CG GLN A 106 11.406 -1.746 -12.452 1.00 25.00 C ATOM 1660 CD GLN A 106 12.897 -1.475 -12.238 1.00 25.00 C ATOM 1661 OE1 GLN A 106 13.628 -2.351 -11.776 1.00 25.00 O ATOM 1662 NE2 GLN A 106 13.365 -0.278 -12.596 1.00 25.00 N ATOM 0 H GLN A 106 9.375 -2.206 -10.205 1.00 25.00 H new ATOM 0 HA GLN A 106 9.042 -2.996 -12.984 1.00 25.00 H new ATOM 0 HB2 GLN A 106 11.263 -3.245 -10.916 1.00 25.00 H new ATOM 0 HB3 GLN A 106 11.398 -3.896 -12.537 1.00 25.00 H new ATOM 0 HG2 GLN A 106 11.185 -1.671 -13.517 1.00 25.00 H new ATOM 0 HG3 GLN A 106 10.833 -0.965 -11.952 1.00 25.00 H new ATOM 0 HE21 GLN A 106 12.731 0.425 -12.976 1.00 25.00 H new ATOM 0 HE22 GLN A 106 14.357 -0.066 -12.490 1.00 25.00 H new ATOM 1671 N ILE A 107 8.551 -5.096 -10.583 1.00 25.00 N ATOM 1672 CA ILE A 107 8.097 -6.447 -10.220 1.00 25.00 C ATOM 1673 C ILE A 107 6.617 -6.685 -10.602 1.00 25.00 C ATOM 1674 O ILE A 107 6.281 -7.758 -11.113 1.00 25.00 O ATOM 1675 CB ILE A 107 8.313 -6.697 -8.685 1.00 25.00 C ATOM 1676 CG1 ILE A 107 9.829 -6.734 -8.354 1.00 25.00 C ATOM 1677 CG2 ILE A 107 7.611 -7.979 -8.223 1.00 25.00 C ATOM 1678 CD1 ILE A 107 10.190 -6.770 -6.872 1.00 25.00 C ATOM 0 H ILE A 107 8.482 -4.425 -9.818 1.00 25.00 H new ATOM 0 HA ILE A 107 8.697 -7.158 -10.788 1.00 25.00 H new ATOM 0 HB ILE A 107 7.863 -5.869 -8.138 1.00 25.00 H new ATOM 0 HG12 ILE A 107 10.264 -7.610 -8.835 1.00 25.00 H new ATOM 0 HG13 ILE A 107 10.300 -5.858 -8.801 1.00 25.00 H new ATOM 0 HG21 ILE A 107 7.781 -8.122 -7.156 1.00 25.00 H new ATOM 0 HG22 ILE A 107 6.541 -7.896 -8.412 1.00 25.00 H new ATOM 0 HG23 ILE A 107 8.012 -8.831 -8.772 1.00 25.00 H new ATOM 0 HD11 ILE A 107 11.274 -6.794 -6.762 1.00 25.00 H new ATOM 0 HD12 ILE A 107 9.795 -5.881 -6.380 1.00 25.00 H new ATOM 0 HD13 ILE A 107 9.759 -7.660 -6.414 1.00 25.00 H new ATOM 1690 N ILE A 108 5.749 -5.692 -10.353 1.00 25.00 N ATOM 1691 CA ILE A 108 4.289 -5.849 -10.549 1.00 25.00 C ATOM 1692 C ILE A 108 3.928 -6.036 -12.026 1.00 25.00 C ATOM 1693 O ILE A 108 3.196 -6.968 -12.371 1.00 25.00 O ATOM 1694 CB ILE A 108 3.491 -4.649 -9.949 1.00 25.00 C ATOM 1695 CG1 ILE A 108 3.623 -4.658 -8.427 1.00 25.00 C ATOM 1696 CG2 ILE A 108 2.007 -4.714 -10.335 1.00 25.00 C ATOM 1697 CD1 ILE A 108 3.347 -3.332 -7.760 1.00 25.00 C ATOM 0 H ILE A 108 6.027 -4.770 -10.016 1.00 25.00 H new ATOM 0 HA ILE A 108 4.002 -6.753 -10.012 1.00 25.00 H new ATOM 0 HB ILE A 108 3.908 -3.727 -10.356 1.00 25.00 H new ATOM 0 HG12 ILE A 108 2.938 -5.402 -8.021 1.00 25.00 H new ATOM 0 HG13 ILE A 108 4.632 -4.977 -8.166 1.00 25.00 H new ATOM 0 HG21 ILE A 108 1.481 -3.864 -9.901 1.00 25.00 H new ATOM 0 HG22 ILE A 108 1.912 -4.684 -11.420 1.00 25.00 H new ATOM 0 HG23 ILE A 108 1.573 -5.640 -9.958 1.00 25.00 H new ATOM 0 HD11 ILE A 108 3.465 -3.436 -6.681 1.00 25.00 H new ATOM 0 HD12 ILE A 108 4.048 -2.585 -8.132 1.00 25.00 H new ATOM 0 HD13 ILE A 108 2.328 -3.017 -7.985 1.00 25.00 H new ATOM 1709 N SER A 109 4.439 -5.148 -12.884 1.00 25.00 N ATOM 1710 CA SER A 109 4.135 -5.204 -14.320 1.00 25.00 C ATOM 1711 C SER A 109 4.697 -6.473 -14.996 1.00 25.00 C ATOM 1712 O SER A 109 4.281 -6.822 -16.106 1.00 25.00 O ATOM 1713 CB SER A 109 4.590 -3.925 -15.036 1.00 25.00 C ATOM 1714 OG SER A 109 6.001 -3.763 -14.998 1.00 25.00 O ATOM 0 H SER A 109 5.061 -4.386 -12.613 1.00 25.00 H new ATOM 0 HA SER A 109 3.051 -5.266 -14.411 1.00 25.00 H new ATOM 0 HB2 SER A 109 4.257 -3.953 -16.073 1.00 25.00 H new ATOM 0 HB3 SER A 109 4.114 -3.061 -14.572 1.00 25.00 H new ATOM 0 HG SER A 109 6.248 -2.938 -15.466 1.00 25.00 H new ATOM 1720 N ARG A 110 5.637 -7.160 -14.317 1.00 25.00 N ATOM 1721 CA ARG A 110 6.095 -8.500 -14.739 1.00 25.00 C ATOM 1722 C ARG A 110 4.955 -9.519 -14.646 1.00 25.00 C ATOM 1723 O ARG A 110 4.767 -10.345 -15.542 1.00 25.00 O ATOM 1724 CB ARG A 110 7.267 -8.978 -13.884 1.00 25.00 C ATOM 1725 CG ARG A 110 7.891 -10.268 -14.375 1.00 25.00 C ATOM 1726 CD ARG A 110 9.026 -10.711 -13.472 1.00 25.00 C ATOM 1727 NE ARG A 110 10.107 -9.715 -13.398 1.00 25.00 N ATOM 1728 CZ ARG A 110 11.022 -9.649 -12.418 1.00 25.00 C ATOM 1729 NH1 ARG A 110 11.015 -10.515 -11.406 1.00 25.00 N ATOM 1730 NH2 ARG A 110 11.951 -8.703 -12.453 1.00 25.00 N ATOM 0 H ARG A 110 6.094 -6.810 -13.475 1.00 25.00 H new ATOM 0 HA ARG A 110 6.423 -8.418 -15.775 1.00 25.00 H new ATOM 0 HB2 ARG A 110 8.031 -8.200 -13.862 1.00 25.00 H new ATOM 0 HB3 ARG A 110 6.925 -9.117 -12.859 1.00 25.00 H new ATOM 0 HG2 ARG A 110 7.131 -11.049 -14.417 1.00 25.00 H new ATOM 0 HG3 ARG A 110 8.264 -10.131 -15.390 1.00 25.00 H new ATOM 0 HD2 ARG A 110 8.638 -10.897 -12.470 1.00 25.00 H new ATOM 0 HD3 ARG A 110 9.430 -11.655 -13.838 1.00 25.00 H new ATOM 0 HE ARG A 110 10.165 -9.024 -14.146 1.00 25.00 H new ATOM 0 HH11 ARG A 110 10.305 -11.246 -11.365 1.00 25.00 H new ATOM 0 HH12 ARG A 110 11.720 -10.447 -10.672 1.00 25.00 H new ATOM 0 HH21 ARG A 110 11.967 -8.032 -13.221 1.00 25.00 H new ATOM 0 HH22 ARG A 110 12.650 -8.647 -11.712 1.00 25.00 H new ATOM 1744 N TYR A 111 4.207 -9.434 -13.537 1.00 25.00 N ATOM 1745 CA TYR A 111 2.996 -10.253 -13.321 1.00 25.00 C ATOM 1746 C TYR A 111 1.790 -9.731 -14.118 1.00 25.00 C ATOM 1747 O TYR A 111 0.763 -10.410 -14.224 1.00 25.00 O ATOM 1748 CB TYR A 111 2.659 -10.314 -11.828 1.00 25.00 C ATOM 1749 CG TYR A 111 3.801 -10.847 -10.986 1.00 25.00 C ATOM 1750 CD1 TYR A 111 4.280 -12.141 -11.172 1.00 25.00 C ATOM 1751 CD2 TYR A 111 4.406 -10.055 -10.019 1.00 25.00 C ATOM 1752 CE1 TYR A 111 5.327 -12.626 -10.418 1.00 25.00 C ATOM 1753 CE2 TYR A 111 5.453 -10.537 -9.262 1.00 25.00 C ATOM 1754 CZ TYR A 111 5.907 -11.821 -9.466 1.00 25.00 C ATOM 1755 OH TYR A 111 6.956 -12.298 -8.717 1.00 25.00 O ATOM 0 H TYR A 111 4.419 -8.801 -12.766 1.00 25.00 H new ATOM 0 HA TYR A 111 3.214 -11.257 -13.685 1.00 25.00 H new ATOM 0 HB2 TYR A 111 2.393 -9.316 -11.480 1.00 25.00 H new ATOM 0 HB3 TYR A 111 1.783 -10.946 -11.684 1.00 25.00 H new ATOM 0 HD1 TYR A 111 3.824 -12.774 -11.919 1.00 25.00 H new ATOM 0 HD2 TYR A 111 4.052 -9.048 -9.858 1.00 25.00 H new ATOM 0 HE1 TYR A 111 5.689 -13.631 -10.574 1.00 25.00 H new ATOM 0 HE2 TYR A 111 5.915 -9.911 -8.513 1.00 25.00 H new ATOM 0 HH TYR A 111 7.691 -11.651 -8.734 1.00 25.00 H new ATOM 1765 N LYS A 112 1.935 -8.523 -14.681 1.00 25.00 N ATOM 1766 CA LYS A 112 0.905 -7.909 -15.535 1.00 25.00 C ATOM 1767 C LYS A 112 1.020 -8.401 -16.981 1.00 25.00 C ATOM 1768 O LYS A 112 0.038 -8.395 -17.728 1.00 25.00 O ATOM 1769 CB LYS A 112 1.025 -6.384 -15.471 1.00 25.00 C ATOM 1770 CG LYS A 112 -0.037 -5.682 -16.309 1.00 25.00 C ATOM 1771 CD LYS A 112 -1.452 -5.958 -15.816 1.00 25.00 C ATOM 1772 CE LYS A 112 -2.478 -5.354 -16.756 1.00 25.00 C ATOM 1773 NZ LYS A 112 -2.629 -6.132 -18.017 1.00 25.00 N ATOM 0 H LYS A 112 2.766 -7.945 -14.559 1.00 25.00 H new ATOM 0 HA LYS A 112 -0.076 -8.205 -15.164 1.00 25.00 H new ATOM 0 HB2 LYS A 112 0.939 -6.059 -14.434 1.00 25.00 H new ATOM 0 HB3 LYS A 112 2.014 -6.085 -15.818 1.00 25.00 H new ATOM 0 HG2 LYS A 112 0.146 -4.608 -16.294 1.00 25.00 H new ATOM 0 HG3 LYS A 112 0.052 -6.006 -17.346 1.00 25.00 H new ATOM 0 HD2 LYS A 112 -1.612 -7.033 -15.739 1.00 25.00 H new ATOM 0 HD3 LYS A 112 -1.581 -5.544 -14.816 1.00 25.00 H new ATOM 0 HE2 LYS A 112 -3.442 -5.300 -16.249 1.00 25.00 H new ATOM 0 HE3 LYS A 112 -2.187 -4.332 -16.997 1.00 25.00 H new ATOM 0 HZ1 LYS A 112 -3.400 -5.726 -18.585 1.00 25.00 H new ATOM 0 HZ2 LYS A 112 -1.742 -6.092 -18.558 1.00 25.00 H new ATOM 0 HZ3 LYS A 112 -2.851 -7.122 -17.789 1.00 25.00 H new