USER MOD reduce.3.24.130724 H: found=0, std=0, add=985, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 978 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 52 GLN : amide:sc= -0.687 K(o=-0.54,f=-3.6!) USER MOD Set 1.2: A 116 THR OG1 : rot -147:sc= 0.142 USER MOD Set 2.1: A 37 GLN : amide:sc= -1.66 X(o=-0.87,f=-0.95!) USER MOD Set 2.2: A 107 THR OG1 : rot -99:sc= 0.79 USER MOD Set 3.1: A 94 GLN : amide:sc= -0.191 K(o=0.21,f=-5.3) USER MOD Set 3.2: A 98 LYS NZ :NH3+ -167:sc= 0.406 (180deg=0) USER MOD Set 4.1: A 70 GLN : amide:sc= -1.84! C(o=-2!,f=-5.5!) USER MOD Set 4.2: A 97 SER OG : rot 170:sc= -0.123 USER MOD Single : A 1 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 1 GLN N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= -0.0636 X(o=-0.064,f=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -0.623 X(o=-0.62,f=-0.81) USER MOD Single : A 16 HIS : no HD1:sc= -0.0714 K(o=-0.071,f=-0.61) USER MOD Single : A 21 GLN : amide:sc= -2.5 K(o=-2.5,f=-5.1!) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=-0.0021) USER MOD Single : A 28 LYS NZ :NH3+ 167:sc= -0.0176 (180deg=-0.281) USER MOD Single : A 31 HIS : no HD1:sc= -0.0153 X(o=-0.015,f=-0.33) USER MOD Single : A 32 GLN : amide:sc= -8.6! C(o=-8.6!,f=-11!) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 GLN : amide:sc= -0.113 X(o=-0.11,f=-0.11) USER MOD Single : A 44 ASN : amide:sc= 0.002 K(o=0.002,f=-1.4) USER MOD Single : A 46 ASN : amide:sc= -0.212 K(o=-0.21,f=-1.2) USER MOD Single : A 47 LYS NZ :NH3+ 168:sc=-0.00733 (180deg=-0.147) USER MOD Single : A 48 SER OG : rot 160:sc= 0.589 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 CYS SG : rot -34:sc= 0.369 USER MOD Single : A 65 MET CE :methyl -161:sc= -1.78 (180deg=-2.97!) USER MOD Single : A 78 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.129) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= -0.0826 X(o=-0.083,f=-0.052) USER MOD Single : A 89 ASN : amide:sc= -0.747 K(o=-0.75,f=-2.1) USER MOD Single : A 90 TYR OH : rot -179:sc= -0.69 USER MOD Single : A 95 THR OG1 : rot 65:sc= 1.25 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.239) USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ -166:sc= -0.0753 (180deg=-0.211) USER MOD Single : A 115 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 117 GLN : amide:sc= -0.461 X(o=-0.46,f=-0.58) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 15.003 1.006 -0.746 1.00 0.00 N ATOM 2 CA GLN A 1 16.337 1.338 -0.258 1.00 0.00 C ATOM 3 C GLN A 1 16.279 1.869 1.170 1.00 0.00 C ATOM 4 O GLN A 1 17.001 1.399 2.047 1.00 0.00 O ATOM 5 CB GLN A 1 16.995 2.371 -1.175 1.00 0.00 C ATOM 6 CG GLN A 1 18.499 2.484 -0.982 1.00 0.00 C ATOM 7 CD GLN A 1 19.073 3.742 -1.603 1.00 0.00 C ATOM 8 OE1 GLN A 1 19.598 3.715 -2.717 1.00 0.00 O ATOM 9 NE2 GLN A 1 18.977 4.854 -0.883 1.00 0.00 N ATOM 0 H1 GLN A 1 15.069 0.647 -1.720 1.00 0.00 H new ATOM 0 H2 GLN A 1 14.582 0.277 -0.136 1.00 0.00 H new ATOM 0 H3 GLN A 1 14.406 1.857 -0.731 1.00 0.00 H new ATOM 0 HA GLN A 1 16.935 0.427 -0.261 1.00 0.00 H new ATOM 0 HB2 GLN A 1 16.789 2.108 -2.212 1.00 0.00 H new ATOM 0 HB3 GLN A 1 16.540 3.345 -0.997 1.00 0.00 H new ATOM 0 HG2 GLN A 1 18.727 2.473 0.084 1.00 0.00 H new ATOM 0 HG3 GLN A 1 18.985 1.612 -1.421 1.00 0.00 H new ATOM 0 HE21 GLN A 1 18.534 4.830 0.035 1.00 0.00 H new ATOM 0 HE22 GLN A 1 19.346 5.732 -1.249 1.00 0.00 H new ATOM 18 N GLU A 2 15.414 2.854 1.394 1.00 0.00 N ATOM 19 CA GLU A 2 15.263 3.451 2.716 1.00 0.00 C ATOM 20 C GLU A 2 14.568 2.486 3.673 1.00 0.00 C ATOM 21 O GLU A 2 13.448 2.040 3.419 1.00 0.00 O ATOM 22 CB GLU A 2 14.468 4.755 2.623 1.00 0.00 C ATOM 23 CG GLU A 2 15.292 5.938 2.142 1.00 0.00 C ATOM 24 CD GLU A 2 14.442 7.024 1.515 1.00 0.00 C ATOM 25 OE1 GLU A 2 13.307 7.239 1.989 1.00 0.00 O ATOM 26 OE2 GLU A 2 14.912 7.660 0.547 1.00 0.00 O ATOM 0 H GLU A 2 14.808 3.255 0.678 1.00 0.00 H new ATOM 0 HA GLU A 2 16.258 3.667 3.105 1.00 0.00 H new ATOM 0 HB2 GLU A 2 13.626 4.610 1.946 1.00 0.00 H new ATOM 0 HB3 GLU A 2 14.052 4.988 3.603 1.00 0.00 H new ATOM 0 HG2 GLU A 2 15.846 6.356 2.983 1.00 0.00 H new ATOM 0 HG3 GLU A 2 16.027 5.592 1.415 1.00 0.00 H new ATOM 33 N HIS A 3 15.241 2.167 4.774 1.00 0.00 N ATOM 34 CA HIS A 3 14.689 1.254 5.769 1.00 0.00 C ATOM 35 C HIS A 3 14.513 1.957 7.112 1.00 0.00 C ATOM 36 O HIS A 3 15.322 1.786 8.024 1.00 0.00 O ATOM 37 CB HIS A 3 15.596 0.035 5.933 1.00 0.00 C ATOM 38 CG HIS A 3 14.941 -1.108 6.646 1.00 0.00 C ATOM 39 ND1 HIS A 3 15.643 -2.035 7.386 1.00 0.00 N ATOM 40 CD2 HIS A 3 13.639 -1.469 6.730 1.00 0.00 C ATOM 41 CE1 HIS A 3 14.803 -2.918 7.893 1.00 0.00 C ATOM 42 NE2 HIS A 3 13.580 -2.597 7.511 1.00 0.00 N ATOM 0 H HIS A 3 16.168 2.527 5.000 1.00 0.00 H new ATOM 0 HA HIS A 3 13.710 0.924 5.420 1.00 0.00 H new ATOM 0 HB2 HIS A 3 15.921 -0.300 4.948 1.00 0.00 H new ATOM 0 HB3 HIS A 3 16.491 0.329 6.481 1.00 0.00 H new ATOM 0 HD2 HIS A 3 12.803 -0.964 6.269 1.00 0.00 H new ATOM 0 HE1 HIS A 3 15.070 -3.760 8.515 1.00 0.00 H new ATOM 0 HE2 HIS A 3 12.730 -3.104 7.756 1.00 0.00 H new ATOM 50 N LYS A 4 13.453 2.749 7.226 1.00 0.00 N ATOM 51 CA LYS A 4 13.170 3.478 8.457 1.00 0.00 C ATOM 52 C LYS A 4 11.813 3.078 9.027 1.00 0.00 C ATOM 53 O LYS A 4 10.936 2.585 8.318 1.00 0.00 O ATOM 54 CB LYS A 4 13.203 4.986 8.200 1.00 0.00 C ATOM 55 CG LYS A 4 12.532 5.397 6.899 1.00 0.00 C ATOM 56 CD LYS A 4 12.088 6.849 6.936 1.00 0.00 C ATOM 57 CE LYS A 4 13.190 7.780 6.453 1.00 0.00 C ATOM 58 NZ LYS A 4 12.658 9.120 6.078 1.00 0.00 N ATOM 0 H LYS A 4 12.775 2.903 6.480 1.00 0.00 H new ATOM 0 HA LYS A 4 13.939 3.223 9.186 1.00 0.00 H new ATOM 0 HB2 LYS A 4 12.714 5.498 9.029 1.00 0.00 H new ATOM 0 HB3 LYS A 4 14.240 5.321 8.186 1.00 0.00 H new ATOM 0 HG2 LYS A 4 13.223 5.248 6.069 1.00 0.00 H new ATOM 0 HG3 LYS A 4 11.670 4.756 6.715 1.00 0.00 H new ATOM 0 HD2 LYS A 4 11.203 6.976 6.312 1.00 0.00 H new ATOM 0 HD3 LYS A 4 11.803 7.118 7.953 1.00 0.00 H new ATOM 0 HE2 LYS A 4 13.940 7.893 7.236 1.00 0.00 H new ATOM 0 HE3 LYS A 4 13.691 7.335 5.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 13.439 9.725 5.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 11.961 9.015 5.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 12.202 9.556 6.905 1.00 0.00 H new ATOM 72 N PRO A 5 11.633 3.297 10.337 1.00 0.00 N ATOM 73 CA PRO A 5 10.384 2.968 11.031 1.00 0.00 C ATOM 74 C PRO A 5 9.235 3.883 10.621 1.00 0.00 C ATOM 75 O PRO A 5 9.448 4.917 9.987 1.00 0.00 O ATOM 76 CB PRO A 5 10.732 3.175 12.507 1.00 0.00 C ATOM 77 CG PRO A 5 11.852 4.159 12.498 1.00 0.00 C ATOM 78 CD PRO A 5 12.636 3.882 11.244 1.00 0.00 C ATOM 0 HA PRO A 5 10.042 1.960 10.798 1.00 0.00 H new ATOM 0 HB2 PRO A 5 9.876 3.554 13.066 1.00 0.00 H new ATOM 0 HB3 PRO A 5 11.031 2.239 12.978 1.00 0.00 H new ATOM 0 HG2 PRO A 5 11.474 5.181 12.504 1.00 0.00 H new ATOM 0 HG3 PRO A 5 12.478 4.046 13.383 1.00 0.00 H new ATOM 0 HD2 PRO A 5 13.068 4.793 10.831 1.00 0.00 H new ATOM 0 HD3 PRO A 5 13.460 3.193 11.429 1.00 0.00 H new ATOM 86 N LYS A 6 8.018 3.497 10.987 1.00 0.00 N ATOM 87 CA LYS A 6 6.835 4.283 10.659 1.00 0.00 C ATOM 88 C LYS A 6 6.286 4.982 11.898 1.00 0.00 C ATOM 89 O LYS A 6 5.892 4.332 12.867 1.00 0.00 O ATOM 90 CB LYS A 6 5.755 3.387 10.046 1.00 0.00 C ATOM 91 CG LYS A 6 5.872 3.240 8.539 1.00 0.00 C ATOM 92 CD LYS A 6 7.131 2.481 8.149 1.00 0.00 C ATOM 93 CE LYS A 6 7.222 2.291 6.642 1.00 0.00 C ATOM 94 NZ LYS A 6 8.214 1.243 6.275 1.00 0.00 N ATOM 0 H LYS A 6 7.825 2.644 11.511 1.00 0.00 H new ATOM 0 HA LYS A 6 7.124 5.042 9.932 1.00 0.00 H new ATOM 0 HB2 LYS A 6 5.810 2.400 10.505 1.00 0.00 H new ATOM 0 HB3 LYS A 6 4.774 3.797 10.288 1.00 0.00 H new ATOM 0 HG2 LYS A 6 4.997 2.717 8.154 1.00 0.00 H new ATOM 0 HG3 LYS A 6 5.883 4.227 8.076 1.00 0.00 H new ATOM 0 HD2 LYS A 6 8.008 3.023 8.502 1.00 0.00 H new ATOM 0 HD3 LYS A 6 7.138 1.508 8.641 1.00 0.00 H new ATOM 0 HE2 LYS A 6 6.242 2.017 6.251 1.00 0.00 H new ATOM 0 HE3 LYS A 6 7.500 3.235 6.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 8.247 1.143 5.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 9.154 1.516 6.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 7.935 0.336 6.702 1.00 0.00 H new ATOM 108 N LYS A 7 6.260 6.310 11.861 1.00 0.00 N ATOM 109 CA LYS A 7 5.757 7.099 12.980 1.00 0.00 C ATOM 110 C LYS A 7 4.298 6.761 13.270 1.00 0.00 C ATOM 111 O LYS A 7 3.536 6.428 12.363 1.00 0.00 O ATOM 112 CB LYS A 7 5.896 8.593 12.681 1.00 0.00 C ATOM 113 CG LYS A 7 5.716 9.477 13.902 1.00 0.00 C ATOM 114 CD LYS A 7 6.969 9.503 14.761 1.00 0.00 C ATOM 115 CE LYS A 7 8.051 10.375 14.143 1.00 0.00 C ATOM 116 NZ LYS A 7 9.408 10.005 14.633 1.00 0.00 N ATOM 0 H LYS A 7 6.582 6.863 11.067 1.00 0.00 H new ATOM 0 HA LYS A 7 6.351 6.855 13.861 1.00 0.00 H new ATOM 0 HB2 LYS A 7 6.880 8.779 12.250 1.00 0.00 H new ATOM 0 HB3 LYS A 7 5.160 8.874 11.928 1.00 0.00 H new ATOM 0 HG2 LYS A 7 5.470 10.491 13.585 1.00 0.00 H new ATOM 0 HG3 LYS A 7 4.875 9.115 14.494 1.00 0.00 H new ATOM 0 HD2 LYS A 7 6.722 9.877 15.755 1.00 0.00 H new ATOM 0 HD3 LYS A 7 7.346 8.488 14.887 1.00 0.00 H new ATOM 0 HE2 LYS A 7 8.018 10.280 13.058 1.00 0.00 H new ATOM 0 HE3 LYS A 7 7.853 11.421 14.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 10.118 10.622 14.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 9.447 10.120 15.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 9.608 9.014 14.387 1.00 0.00 H new ATOM 130 N ASP A 8 3.916 6.851 14.538 1.00 0.00 N ATOM 131 CA ASP A 8 2.548 6.559 14.949 1.00 0.00 C ATOM 132 C ASP A 8 1.595 7.657 14.485 1.00 0.00 C ATOM 133 O ASP A 8 1.940 8.839 14.502 1.00 0.00 O ATOM 134 CB ASP A 8 2.468 6.405 16.468 1.00 0.00 C ATOM 135 CG ASP A 8 3.212 5.181 16.966 1.00 0.00 C ATOM 136 OD1 ASP A 8 2.673 4.062 16.828 1.00 0.00 O ATOM 137 OD2 ASP A 8 4.333 5.341 17.492 1.00 0.00 O ATOM 0 H ASP A 8 4.535 7.124 15.301 1.00 0.00 H new ATOM 0 HA ASP A 8 2.248 5.621 14.482 1.00 0.00 H new ATOM 0 HB2 ASP A 8 2.880 7.295 16.943 1.00 0.00 H new ATOM 0 HB3 ASP A 8 1.422 6.339 16.769 1.00 0.00 H new ATOM 142 N ASP A 9 0.397 7.258 14.072 1.00 0.00 N ATOM 143 CA ASP A 9 -0.605 8.208 13.604 1.00 0.00 C ATOM 144 C ASP A 9 -1.670 8.443 14.672 1.00 0.00 C ATOM 145 O ASP A 9 -2.833 8.699 14.357 1.00 0.00 O ATOM 146 CB ASP A 9 -1.259 7.699 12.318 1.00 0.00 C ATOM 147 CG ASP A 9 -0.324 7.771 11.127 1.00 0.00 C ATOM 148 OD1 ASP A 9 0.898 7.922 11.339 1.00 0.00 O ATOM 149 OD2 ASP A 9 -0.813 7.673 9.982 1.00 0.00 O ATOM 0 H ASP A 9 0.096 6.284 14.052 1.00 0.00 H new ATOM 0 HA ASP A 9 -0.106 9.155 13.399 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -1.582 6.668 12.461 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -2.153 8.287 12.111 1.00 0.00 H new ATOM 154 N PHE A 10 -1.265 8.355 15.933 1.00 0.00 N ATOM 155 CA PHE A 10 -2.185 8.556 17.048 1.00 0.00 C ATOM 156 C PHE A 10 -2.502 10.038 17.229 1.00 0.00 C ATOM 157 O PHE A 10 -2.015 10.678 18.161 1.00 0.00 O ATOM 158 CB PHE A 10 -1.588 7.989 18.337 1.00 0.00 C ATOM 159 CG PHE A 10 -1.965 6.558 18.593 1.00 0.00 C ATOM 160 CD1 PHE A 10 -1.387 5.533 17.862 1.00 0.00 C ATOM 161 CD2 PHE A 10 -2.897 6.237 19.568 1.00 0.00 C ATOM 162 CE1 PHE A 10 -1.733 4.216 18.095 1.00 0.00 C ATOM 163 CE2 PHE A 10 -3.247 4.921 19.805 1.00 0.00 C ATOM 164 CZ PHE A 10 -2.663 3.910 19.068 1.00 0.00 C ATOM 0 H PHE A 10 -0.306 8.146 16.210 1.00 0.00 H new ATOM 0 HA PHE A 10 -3.112 8.029 16.823 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -0.502 8.067 18.290 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -1.916 8.599 19.179 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -0.657 5.766 17.101 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -3.355 7.024 20.149 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -1.276 3.427 17.516 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -3.976 4.684 20.566 1.00 0.00 H new ATOM 0 HZ PHE A 10 -2.934 2.881 19.253 1.00 0.00 H new ATOM 174 N ARG A 11 -3.323 10.575 16.332 1.00 0.00 N ATOM 175 CA ARG A 11 -3.704 11.980 16.391 1.00 0.00 C ATOM 176 C ARG A 11 -5.207 12.144 16.182 1.00 0.00 C ATOM 177 O ARG A 11 -5.926 11.167 15.982 1.00 0.00 O ATOM 178 CB ARG A 11 -2.941 12.783 15.336 1.00 0.00 C ATOM 179 CG ARG A 11 -1.462 12.945 15.645 1.00 0.00 C ATOM 180 CD ARG A 11 -0.774 13.838 14.625 1.00 0.00 C ATOM 181 NE ARG A 11 -0.317 13.087 13.459 1.00 0.00 N ATOM 182 CZ ARG A 11 0.673 12.201 13.497 1.00 0.00 C ATOM 183 NH1 ARG A 11 1.306 11.958 14.636 1.00 0.00 N ATOM 184 NH2 ARG A 11 1.031 11.558 12.393 1.00 0.00 N ATOM 0 H ARG A 11 -3.737 10.058 15.556 1.00 0.00 H new ATOM 0 HA ARG A 11 -3.448 12.359 17.380 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -3.050 12.292 14.369 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -3.395 13.770 15.245 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -1.342 13.370 16.642 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -0.982 11.966 15.656 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -1.463 14.620 14.305 1.00 0.00 H new ATOM 0 HD3 ARG A 11 0.077 14.334 15.093 1.00 0.00 H new ATOM 0 HE ARG A 11 -0.783 13.251 12.567 1.00 0.00 H new ATOM 0 HH11 ARG A 11 1.034 12.451 15.486 1.00 0.00 H new ATOM 0 HH12 ARG A 11 2.065 11.278 14.662 1.00 0.00 H new ATOM 0 HH21 ARG A 11 0.546 11.744 11.515 1.00 0.00 H new ATOM 0 HH22 ARG A 11 1.791 10.878 12.422 1.00 0.00 H new ATOM 198 N ASN A 12 -5.674 13.388 16.231 1.00 0.00 N ATOM 199 CA ASN A 12 -7.091 13.680 16.049 1.00 0.00 C ATOM 200 C ASN A 12 -7.329 14.419 14.736 1.00 0.00 C ATOM 201 O ASN A 12 -6.410 15.010 14.169 1.00 0.00 O ATOM 202 CB ASN A 12 -7.615 14.515 17.218 1.00 0.00 C ATOM 203 CG ASN A 12 -9.111 14.756 17.132 1.00 0.00 C ATOM 204 OD1 ASN A 12 -9.556 15.785 16.623 1.00 0.00 O ATOM 205 ND2 ASN A 12 -9.893 13.806 17.630 1.00 0.00 N ATOM 0 H ASN A 12 -5.092 14.209 16.395 1.00 0.00 H new ATOM 0 HA ASN A 12 -7.630 12.733 16.017 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -7.385 14.008 18.155 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -7.096 15.473 17.238 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -10.907 13.912 17.600 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -9.480 12.970 18.043 1.00 0.00 H new ATOM 212 N GLU A 13 -8.569 14.381 14.257 1.00 0.00 N ATOM 213 CA GLU A 13 -8.927 15.047 13.011 1.00 0.00 C ATOM 214 C GLU A 13 -10.136 15.958 13.208 1.00 0.00 C ATOM 215 O GLU A 13 -11.179 15.525 13.698 1.00 0.00 O ATOM 216 CB GLU A 13 -9.225 14.013 11.922 1.00 0.00 C ATOM 217 CG GLU A 13 -10.322 13.032 12.299 1.00 0.00 C ATOM 218 CD GLU A 13 -11.684 13.452 11.781 1.00 0.00 C ATOM 219 OE1 GLU A 13 -11.764 13.895 10.615 1.00 0.00 O ATOM 220 OE2 GLU A 13 -12.670 13.338 12.539 1.00 0.00 O ATOM 0 H GLU A 13 -9.342 13.896 14.713 1.00 0.00 H new ATOM 0 HA GLU A 13 -8.080 15.659 12.700 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -9.512 14.533 11.008 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -8.313 13.458 11.700 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -10.075 12.047 11.903 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -10.363 12.938 13.384 1.00 0.00 H new ATOM 227 N PHE A 14 -9.987 17.220 12.823 1.00 0.00 N ATOM 228 CA PHE A 14 -11.065 18.193 12.958 1.00 0.00 C ATOM 229 C PHE A 14 -11.528 18.686 11.590 1.00 0.00 C ATOM 230 O PHE A 14 -12.657 19.151 11.437 1.00 0.00 O ATOM 231 CB PHE A 14 -10.607 19.378 13.812 1.00 0.00 C ATOM 232 CG PHE A 14 -9.315 19.988 13.346 1.00 0.00 C ATOM 233 CD1 PHE A 14 -9.282 20.801 12.225 1.00 0.00 C ATOM 234 CD2 PHE A 14 -8.134 19.747 14.030 1.00 0.00 C ATOM 235 CE1 PHE A 14 -8.094 21.364 11.794 1.00 0.00 C ATOM 236 CE2 PHE A 14 -6.945 20.308 13.604 1.00 0.00 C ATOM 237 CZ PHE A 14 -6.924 21.116 12.485 1.00 0.00 C ATOM 0 H PHE A 14 -9.130 17.594 12.415 1.00 0.00 H new ATOM 0 HA PHE A 14 -11.904 17.702 13.450 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -11.384 20.142 13.805 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -10.493 19.049 14.845 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -10.194 20.998 11.681 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -8.143 19.114 14.905 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -8.081 21.996 10.919 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -6.032 20.114 14.147 1.00 0.00 H new ATOM 0 HZ PHE A 14 -5.995 21.553 12.151 1.00 0.00 H new ATOM 247 N ASP A 15 -10.647 18.581 10.601 1.00 0.00 N ATOM 248 CA ASP A 15 -10.965 19.015 9.246 1.00 0.00 C ATOM 249 C ASP A 15 -12.273 18.392 8.768 1.00 0.00 C ATOM 250 O ASP A 15 -13.010 18.993 7.987 1.00 0.00 O ATOM 251 CB ASP A 15 -9.830 18.643 8.290 1.00 0.00 C ATOM 252 CG ASP A 15 -8.558 19.417 8.574 1.00 0.00 C ATOM 253 OD1 ASP A 15 -8.639 20.651 8.741 1.00 0.00 O ATOM 254 OD2 ASP A 15 -7.480 18.787 8.629 1.00 0.00 O ATOM 0 H ASP A 15 -9.708 18.199 10.712 1.00 0.00 H new ATOM 0 HA ASP A 15 -11.082 20.099 9.256 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -9.627 17.575 8.369 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -10.146 18.832 7.264 1.00 0.00 H new ATOM 259 N HIS A 16 -12.555 17.183 9.244 1.00 0.00 N ATOM 260 CA HIS A 16 -13.774 16.478 8.864 1.00 0.00 C ATOM 261 C HIS A 16 -13.870 16.332 7.349 1.00 0.00 C ATOM 262 O HIS A 16 -14.869 16.713 6.739 1.00 0.00 O ATOM 263 CB HIS A 16 -15.002 17.219 9.395 1.00 0.00 C ATOM 264 CG HIS A 16 -15.243 17.009 10.858 1.00 0.00 C ATOM 265 ND1 HIS A 16 -15.279 18.042 11.771 1.00 0.00 N ATOM 266 CD2 HIS A 16 -15.463 15.876 11.566 1.00 0.00 C ATOM 267 CE1 HIS A 16 -15.508 17.554 12.977 1.00 0.00 C ATOM 268 NE2 HIS A 16 -15.625 16.242 12.879 1.00 0.00 N ATOM 0 H HIS A 16 -11.957 16.672 9.893 1.00 0.00 H new ATOM 0 HA HIS A 16 -13.740 15.482 9.305 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -14.883 18.286 9.204 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -15.881 16.892 8.840 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -15.503 14.872 11.171 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -15.586 18.129 13.888 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -15.806 15.604 13.654 1.00 0.00 H new ATOM 276 N LEU A 17 -12.823 15.777 6.747 1.00 0.00 N ATOM 277 CA LEU A 17 -12.787 15.580 5.302 1.00 0.00 C ATOM 278 C LEU A 17 -13.015 14.115 4.946 1.00 0.00 C ATOM 279 O LEU A 17 -12.068 13.331 4.862 1.00 0.00 O ATOM 280 CB LEU A 17 -11.447 16.053 4.736 1.00 0.00 C ATOM 281 CG LEU A 17 -11.520 17.067 3.594 1.00 0.00 C ATOM 282 CD1 LEU A 17 -12.492 16.595 2.523 1.00 0.00 C ATOM 283 CD2 LEU A 17 -11.928 18.435 4.121 1.00 0.00 C ATOM 0 H LEU A 17 -11.988 15.456 7.237 1.00 0.00 H new ATOM 0 HA LEU A 17 -13.589 16.170 4.860 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -10.867 16.492 5.548 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -10.895 15.181 4.386 1.00 0.00 H new ATOM 0 HG LEU A 17 -10.530 17.153 3.146 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -12.531 17.329 1.718 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -12.157 15.637 2.125 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -13.485 16.480 2.958 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -11.975 19.144 3.295 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -12.907 18.365 4.595 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -11.195 18.777 4.851 1.00 0.00 H new ATOM 295 N LEU A 18 -14.275 13.752 4.734 1.00 0.00 N ATOM 296 CA LEU A 18 -14.627 12.380 4.384 1.00 0.00 C ATOM 297 C LEU A 18 -13.976 11.969 3.067 1.00 0.00 C ATOM 298 O LEU A 18 -13.184 11.026 3.022 1.00 0.00 O ATOM 299 CB LEU A 18 -16.147 12.232 4.282 1.00 0.00 C ATOM 300 CG LEU A 18 -16.899 13.432 3.705 1.00 0.00 C ATOM 301 CD1 LEU A 18 -17.775 13.002 2.539 1.00 0.00 C ATOM 302 CD2 LEU A 18 -17.737 14.104 4.783 1.00 0.00 C ATOM 0 H LEU A 18 -15.070 14.388 4.798 1.00 0.00 H new ATOM 0 HA LEU A 18 -14.256 11.724 5.172 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -16.367 11.360 3.666 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -16.540 12.026 5.278 1.00 0.00 H new ATOM 0 HG LEU A 18 -16.168 14.153 3.338 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -18.302 13.869 2.141 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -17.153 12.566 1.758 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -18.499 12.262 2.881 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -18.265 14.956 4.355 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -18.460 13.391 5.179 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -17.087 14.447 5.588 1.00 0.00 H new ATOM 314 N ILE A 19 -14.311 12.685 1.999 1.00 0.00 N ATOM 315 CA ILE A 19 -13.756 12.396 0.683 1.00 0.00 C ATOM 316 C ILE A 19 -12.241 12.238 0.747 1.00 0.00 C ATOM 317 O ILE A 19 -11.700 11.198 0.374 1.00 0.00 O ATOM 318 CB ILE A 19 -14.102 13.505 -0.329 1.00 0.00 C ATOM 319 CG1 ILE A 19 -15.570 13.404 -0.749 1.00 0.00 C ATOM 320 CG2 ILE A 19 -13.192 13.417 -1.545 1.00 0.00 C ATOM 321 CD1 ILE A 19 -15.898 12.128 -1.492 1.00 0.00 C ATOM 0 H ILE A 19 -14.963 13.469 2.019 1.00 0.00 H new ATOM 0 HA ILE A 19 -14.203 11.459 0.351 1.00 0.00 H new ATOM 0 HB ILE A 19 -13.945 14.472 0.149 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -16.199 13.470 0.139 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -15.819 14.257 -1.380 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -13.450 14.207 -2.250 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -12.154 13.534 -1.232 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -13.319 12.447 -2.025 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -16.955 12.124 -1.759 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -15.295 12.069 -2.398 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -15.681 11.270 -0.855 1.00 0.00 H new ATOM 333 N GLU A 20 -11.562 13.276 1.226 1.00 0.00 N ATOM 334 CA GLU A 20 -10.109 13.250 1.341 1.00 0.00 C ATOM 335 C GLU A 20 -9.643 11.987 2.059 1.00 0.00 C ATOM 336 O GLU A 20 -8.715 11.314 1.610 1.00 0.00 O ATOM 337 CB GLU A 20 -9.613 14.488 2.091 1.00 0.00 C ATOM 338 CG GLU A 20 -8.618 14.174 3.194 1.00 0.00 C ATOM 339 CD GLU A 20 -7.928 15.414 3.729 1.00 0.00 C ATOM 340 OE1 GLU A 20 -8.638 16.358 4.135 1.00 0.00 O ATOM 341 OE2 GLU A 20 -6.680 15.440 3.742 1.00 0.00 O ATOM 0 H GLU A 20 -11.995 14.144 1.540 1.00 0.00 H new ATOM 0 HA GLU A 20 -9.690 13.251 0.335 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -9.150 15.172 1.380 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -10.468 15.008 2.522 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -9.134 13.669 4.011 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -7.868 13.481 2.814 1.00 0.00 H new ATOM 348 N GLN A 21 -10.292 11.673 3.175 1.00 0.00 N ATOM 349 CA GLN A 21 -9.942 10.492 3.955 1.00 0.00 C ATOM 350 C GLN A 21 -10.182 9.219 3.151 1.00 0.00 C ATOM 351 O GLN A 21 -9.432 8.249 3.267 1.00 0.00 O ATOM 352 CB GLN A 21 -10.754 10.452 5.250 1.00 0.00 C ATOM 353 CG GLN A 21 -10.038 9.755 6.396 1.00 0.00 C ATOM 354 CD GLN A 21 -9.627 8.338 6.052 1.00 0.00 C ATOM 355 OE1 GLN A 21 -10.458 7.430 6.016 1.00 0.00 O ATOM 356 NE2 GLN A 21 -8.339 8.140 5.795 1.00 0.00 N ATOM 0 H GLN A 21 -11.063 12.220 3.559 1.00 0.00 H new ATOM 0 HA GLN A 21 -8.882 10.550 4.201 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -10.995 11.472 5.550 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -11.700 9.944 5.061 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -9.153 10.330 6.669 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -10.690 9.738 7.270 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -7.685 8.921 5.836 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -8.004 7.207 5.556 1.00 0.00 H new ATOM 365 N ALA A 22 -11.232 9.227 2.336 1.00 0.00 N ATOM 366 CA ALA A 22 -11.569 8.073 1.513 1.00 0.00 C ATOM 367 C ALA A 22 -10.480 7.798 0.482 1.00 0.00 C ATOM 368 O ALA A 22 -10.041 6.660 0.318 1.00 0.00 O ATOM 369 CB ALA A 22 -12.908 8.290 0.823 1.00 0.00 C ATOM 0 H ALA A 22 -11.864 10.021 2.228 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.645 7.203 2.165 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -13.147 7.420 0.211 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -13.686 8.431 1.574 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -12.851 9.175 0.189 1.00 0.00 H new ATOM 375 N ASN A 23 -10.049 8.847 -0.212 1.00 0.00 N ATOM 376 CA ASN A 23 -9.011 8.717 -1.228 1.00 0.00 C ATOM 377 C ASN A 23 -7.696 8.256 -0.608 1.00 0.00 C ATOM 378 O ASN A 23 -6.987 7.424 -1.174 1.00 0.00 O ATOM 379 CB ASN A 23 -8.807 10.050 -1.952 1.00 0.00 C ATOM 380 CG ASN A 23 -9.633 10.150 -3.221 1.00 0.00 C ATOM 381 OD1 ASN A 23 -9.205 9.713 -4.289 1.00 0.00 O ATOM 382 ND2 ASN A 23 -10.822 10.729 -3.108 1.00 0.00 N ATOM 0 H ASN A 23 -10.403 9.796 -0.089 1.00 0.00 H new ATOM 0 HA ASN A 23 -9.335 7.966 -1.948 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -9.073 10.868 -1.283 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -7.752 10.169 -2.198 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -11.422 10.826 -3.927 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -11.136 11.077 -2.202 1.00 0.00 H new ATOM 389 N HIS A 24 -7.376 8.804 0.561 1.00 0.00 N ATOM 390 CA HIS A 24 -6.146 8.449 1.260 1.00 0.00 C ATOM 391 C HIS A 24 -6.160 6.979 1.671 1.00 0.00 C ATOM 392 O HIS A 24 -5.153 6.281 1.548 1.00 0.00 O ATOM 393 CB HIS A 24 -5.962 9.333 2.494 1.00 0.00 C ATOM 394 CG HIS A 24 -5.286 10.636 2.201 1.00 0.00 C ATOM 395 ND1 HIS A 24 -4.388 11.230 3.063 1.00 0.00 N ATOM 396 CD2 HIS A 24 -5.379 11.462 1.131 1.00 0.00 C ATOM 397 CE1 HIS A 24 -3.960 12.364 2.539 1.00 0.00 C ATOM 398 NE2 HIS A 24 -4.546 12.528 1.366 1.00 0.00 N ATOM 0 H HIS A 24 -7.951 9.495 1.043 1.00 0.00 H new ATOM 0 HA HIS A 24 -5.311 8.610 0.579 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -6.938 9.531 2.938 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -5.378 8.789 3.237 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -5.994 11.310 0.256 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -3.252 13.042 2.992 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -4.403 13.318 0.737 1.00 0.00 H new ATOM 406 N ALA A 25 -7.306 6.516 2.159 1.00 0.00 N ATOM 407 CA ALA A 25 -7.451 5.130 2.586 1.00 0.00 C ATOM 408 C ALA A 25 -7.274 4.173 1.412 1.00 0.00 C ATOM 409 O ALA A 25 -6.488 3.228 1.482 1.00 0.00 O ATOM 410 CB ALA A 25 -8.806 4.919 3.244 1.00 0.00 C ATOM 0 H ALA A 25 -8.148 7.081 2.268 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.670 4.916 3.315 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -8.900 3.879 3.558 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.893 5.570 4.114 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -9.597 5.156 2.532 1.00 0.00 H new ATOM 416 N ILE A 26 -8.013 4.422 0.335 1.00 0.00 N ATOM 417 CA ILE A 26 -7.938 3.583 -0.854 1.00 0.00 C ATOM 418 C ILE A 26 -6.549 3.641 -1.481 1.00 0.00 C ATOM 419 O ILE A 26 -6.082 2.666 -2.067 1.00 0.00 O ATOM 420 CB ILE A 26 -8.982 4.000 -1.905 1.00 0.00 C ATOM 421 CG1 ILE A 26 -8.722 5.434 -2.373 1.00 0.00 C ATOM 422 CG2 ILE A 26 -10.388 3.871 -1.336 1.00 0.00 C ATOM 423 CD1 ILE A 26 -9.680 5.903 -3.445 1.00 0.00 C ATOM 0 H ILE A 26 -8.670 5.198 0.262 1.00 0.00 H new ATOM 0 HA ILE A 26 -8.147 2.562 -0.533 1.00 0.00 H new ATOM 0 HB ILE A 26 -8.896 3.335 -2.764 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -8.791 6.105 -1.517 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -7.702 5.505 -2.752 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -11.115 4.170 -2.091 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -10.570 2.836 -1.046 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -10.487 4.515 -0.462 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -9.436 6.927 -3.728 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -9.595 5.255 -4.318 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -10.700 5.865 -3.063 1.00 0.00 H new ATOM 435 N GLU A 27 -5.896 4.792 -1.353 1.00 0.00 N ATOM 436 CA GLU A 27 -4.560 4.976 -1.907 1.00 0.00 C ATOM 437 C GLU A 27 -3.542 4.106 -1.176 1.00 0.00 C ATOM 438 O GLU A 27 -2.735 3.418 -1.800 1.00 0.00 O ATOM 439 CB GLU A 27 -4.146 6.447 -1.820 1.00 0.00 C ATOM 440 CG GLU A 27 -2.786 6.734 -2.431 1.00 0.00 C ATOM 441 CD GLU A 27 -2.825 6.788 -3.945 1.00 0.00 C ATOM 442 OE1 GLU A 27 -3.678 6.099 -4.542 1.00 0.00 O ATOM 443 OE2 GLU A 27 -2.002 7.519 -4.534 1.00 0.00 O ATOM 0 H GLU A 27 -6.270 5.610 -0.871 1.00 0.00 H new ATOM 0 HA GLU A 27 -4.584 4.674 -2.954 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -4.897 7.057 -2.322 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -4.136 6.752 -0.773 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -2.413 7.683 -2.047 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.081 5.964 -2.117 1.00 0.00 H new ATOM 450 N LYS A 28 -3.587 4.142 0.151 1.00 0.00 N ATOM 451 CA LYS A 28 -2.671 3.358 0.970 1.00 0.00 C ATOM 452 C LYS A 28 -2.879 1.864 0.740 1.00 0.00 C ATOM 453 O LYS A 28 -1.924 1.121 0.519 1.00 0.00 O ATOM 454 CB LYS A 28 -2.865 3.689 2.451 1.00 0.00 C ATOM 455 CG LYS A 28 -2.241 2.671 3.390 1.00 0.00 C ATOM 456 CD LYS A 28 -0.756 2.496 3.114 1.00 0.00 C ATOM 457 CE LYS A 28 0.011 3.788 3.347 1.00 0.00 C ATOM 458 NZ LYS A 28 -0.128 4.269 4.749 1.00 0.00 N ATOM 0 H LYS A 28 -4.249 4.707 0.683 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.653 3.615 0.678 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -2.435 4.670 2.655 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -3.932 3.759 2.662 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -2.385 2.990 4.422 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -2.748 1.713 3.279 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -0.355 1.713 3.758 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.613 2.167 2.085 1.00 0.00 H new ATOM 0 HE2 LYS A 28 1.065 3.631 3.120 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -0.352 4.555 2.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 0.573 5.016 4.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -1.085 4.650 4.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 0.031 3.478 5.405 1.00 0.00 H new ATOM 472 N GLY A 29 -4.135 1.431 0.794 1.00 0.00 N ATOM 473 CA GLY A 29 -4.446 0.028 0.588 1.00 0.00 C ATOM 474 C GLY A 29 -4.115 -0.439 -0.815 1.00 0.00 C ATOM 475 O GLY A 29 -3.682 -1.574 -1.012 1.00 0.00 O ATOM 0 H GLY A 29 -4.943 2.027 0.977 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -3.891 -0.573 1.308 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -5.505 -0.139 0.783 1.00 0.00 H new ATOM 479 N GLU A 30 -4.321 0.437 -1.793 1.00 0.00 N ATOM 480 CA GLU A 30 -4.044 0.106 -3.186 1.00 0.00 C ATOM 481 C GLU A 30 -2.542 -0.027 -3.425 1.00 0.00 C ATOM 482 O GLU A 30 -2.096 -0.895 -4.175 1.00 0.00 O ATOM 483 CB GLU A 30 -4.627 1.175 -4.114 1.00 0.00 C ATOM 484 CG GLU A 30 -6.101 0.975 -4.420 1.00 0.00 C ATOM 485 CD GLU A 30 -6.706 2.150 -5.162 1.00 0.00 C ATOM 486 OE1 GLU A 30 -6.081 3.231 -5.175 1.00 0.00 O ATOM 487 OE2 GLU A 30 -7.806 1.989 -5.732 1.00 0.00 O ATOM 0 H GLU A 30 -4.679 1.381 -1.647 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.516 -0.852 -3.406 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -4.489 2.155 -3.658 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -4.067 1.177 -5.049 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -6.225 0.071 -5.016 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -6.644 0.820 -3.488 1.00 0.00 H new ATOM 494 N HIS A 31 -1.768 0.842 -2.782 1.00 0.00 N ATOM 495 CA HIS A 31 -0.316 0.822 -2.924 1.00 0.00 C ATOM 496 C HIS A 31 0.275 -0.433 -2.290 1.00 0.00 C ATOM 497 O HIS A 31 1.021 -1.172 -2.932 1.00 0.00 O ATOM 498 CB HIS A 31 0.297 2.069 -2.284 1.00 0.00 C ATOM 499 CG HIS A 31 1.786 2.142 -2.424 1.00 0.00 C ATOM 500 ND1 HIS A 31 2.656 1.548 -1.534 1.00 0.00 N ATOM 501 CD2 HIS A 31 2.559 2.745 -3.359 1.00 0.00 C ATOM 502 CE1 HIS A 31 3.899 1.783 -1.915 1.00 0.00 C ATOM 503 NE2 HIS A 31 3.868 2.506 -3.020 1.00 0.00 N ATOM 0 H HIS A 31 -2.121 1.568 -2.158 1.00 0.00 H new ATOM 0 HA HIS A 31 -0.080 0.815 -3.988 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -0.146 2.956 -2.737 1.00 0.00 H new ATOM 0 HB3 HIS A 31 0.038 2.089 -1.225 1.00 0.00 H new ATOM 0 HD2 HIS A 31 2.211 3.309 -4.212 1.00 0.00 H new ATOM 0 HE1 HIS A 31 4.790 1.442 -1.409 1.00 0.00 H new ATOM 0 HE2 HIS A 31 4.684 2.834 -3.537 1.00 0.00 H new ATOM 511 N GLN A 32 -0.062 -0.667 -1.026 1.00 0.00 N ATOM 512 CA GLN A 32 0.438 -1.832 -0.304 1.00 0.00 C ATOM 513 C GLN A 32 -0.039 -3.123 -0.961 1.00 0.00 C ATOM 514 O GLN A 32 0.680 -4.123 -0.981 1.00 0.00 O ATOM 515 CB GLN A 32 -0.019 -1.788 1.155 1.00 0.00 C ATOM 516 CG GLN A 32 -1.523 -1.935 1.326 1.00 0.00 C ATOM 517 CD GLN A 32 -1.971 -3.383 1.332 1.00 0.00 C ATOM 518 OE1 GLN A 32 -2.883 -3.765 0.599 1.00 0.00 O ATOM 519 NE2 GLN A 32 -1.330 -4.198 2.161 1.00 0.00 N ATOM 0 H GLN A 32 -0.679 -0.066 -0.480 1.00 0.00 H new ATOM 0 HA GLN A 32 1.527 -1.810 -0.336 1.00 0.00 H new ATOM 0 HB2 GLN A 32 0.481 -2.584 1.708 1.00 0.00 H new ATOM 0 HB3 GLN A 32 0.298 -0.844 1.598 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -1.827 -1.461 2.259 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -2.030 -1.405 0.520 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -0.580 -3.838 2.751 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -1.588 -5.184 2.208 1.00 0.00 H new ATOM 528 N LEU A 33 -1.255 -3.095 -1.496 1.00 0.00 N ATOM 529 CA LEU A 33 -1.828 -4.265 -2.153 1.00 0.00 C ATOM 530 C LEU A 33 -1.075 -4.590 -3.440 1.00 0.00 C ATOM 531 O LEU A 33 -0.702 -5.739 -3.680 1.00 0.00 O ATOM 532 CB LEU A 33 -3.308 -4.028 -2.461 1.00 0.00 C ATOM 533 CG LEU A 33 -4.033 -5.163 -3.184 1.00 0.00 C ATOM 534 CD1 LEU A 33 -3.833 -5.053 -4.687 1.00 0.00 C ATOM 535 CD2 LEU A 33 -3.548 -6.513 -2.677 1.00 0.00 C ATOM 0 H LEU A 33 -1.863 -2.276 -1.488 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.736 -5.113 -1.475 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.827 -3.832 -1.523 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.393 -3.126 -3.067 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.099 -5.079 -2.974 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.356 -5.870 -5.184 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.230 -4.100 -5.038 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.769 -5.110 -4.918 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.075 -7.310 -3.202 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.477 -6.606 -2.857 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.744 -6.592 -1.608 1.00 0.00 H new ATOM 547 N LEU A 34 -0.853 -3.571 -4.263 1.00 0.00 N ATOM 548 CA LEU A 34 -0.143 -3.747 -5.525 1.00 0.00 C ATOM 549 C LEU A 34 1.269 -4.271 -5.286 1.00 0.00 C ATOM 550 O LEU A 34 1.736 -5.170 -5.987 1.00 0.00 O ATOM 551 CB LEU A 34 -0.085 -2.423 -6.289 1.00 0.00 C ATOM 552 CG LEU A 34 -1.406 -1.931 -6.881 1.00 0.00 C ATOM 553 CD1 LEU A 34 -1.325 -0.449 -7.207 1.00 0.00 C ATOM 554 CD2 LEU A 34 -1.766 -2.734 -8.122 1.00 0.00 C ATOM 0 H LEU A 34 -1.155 -2.614 -4.079 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.687 -4.480 -6.121 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.297 -1.655 -5.616 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.637 -2.525 -7.099 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.191 -2.076 -6.139 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.274 -0.117 -7.627 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.115 0.113 -6.297 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.528 -0.279 -7.931 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.709 -2.370 -8.530 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.980 -2.621 -8.869 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.867 -3.787 -7.858 1.00 0.00 H new ATOM 566 N TYR A 35 1.944 -3.707 -4.290 1.00 0.00 N ATOM 567 CA TYR A 35 3.303 -4.117 -3.959 1.00 0.00 C ATOM 568 C TYR A 35 3.312 -5.494 -3.301 1.00 0.00 C ATOM 569 O TYR A 35 4.221 -6.295 -3.522 1.00 0.00 O ATOM 570 CB TYR A 35 3.956 -3.092 -3.030 1.00 0.00 C ATOM 571 CG TYR A 35 5.308 -3.521 -2.509 1.00 0.00 C ATOM 572 CD1 TYR A 35 6.465 -3.278 -3.240 1.00 0.00 C ATOM 573 CD2 TYR A 35 5.430 -4.169 -1.285 1.00 0.00 C ATOM 574 CE1 TYR A 35 7.703 -3.670 -2.768 1.00 0.00 C ATOM 575 CE2 TYR A 35 6.665 -4.562 -0.805 1.00 0.00 C ATOM 576 CZ TYR A 35 7.797 -4.310 -1.551 1.00 0.00 C ATOM 577 OH TYR A 35 9.029 -4.700 -1.077 1.00 0.00 O ATOM 0 H TYR A 35 1.572 -2.964 -3.698 1.00 0.00 H new ATOM 0 HA TYR A 35 3.874 -4.173 -4.886 1.00 0.00 H new ATOM 0 HB2 TYR A 35 4.065 -2.148 -3.564 1.00 0.00 H new ATOM 0 HB3 TYR A 35 3.293 -2.906 -2.185 1.00 0.00 H new ATOM 0 HD1 TYR A 35 6.395 -2.774 -4.193 1.00 0.00 H new ATOM 0 HD2 TYR A 35 4.545 -4.369 -0.699 1.00 0.00 H new ATOM 0 HE1 TYR A 35 8.592 -3.476 -3.350 1.00 0.00 H new ATOM 0 HE2 TYR A 35 6.743 -5.063 0.148 1.00 0.00 H new ATOM 0 HH TYR A 35 8.921 -5.136 -0.206 1.00 0.00 H new ATOM 587 N LEU A 36 2.292 -5.762 -2.493 1.00 0.00 N ATOM 588 CA LEU A 36 2.179 -7.042 -1.803 1.00 0.00 C ATOM 589 C LEU A 36 1.889 -8.169 -2.789 1.00 0.00 C ATOM 590 O LEU A 36 2.279 -9.315 -2.567 1.00 0.00 O ATOM 591 CB LEU A 36 1.076 -6.978 -0.746 1.00 0.00 C ATOM 592 CG LEU A 36 0.908 -8.224 0.125 1.00 0.00 C ATOM 593 CD1 LEU A 36 0.434 -7.841 1.519 1.00 0.00 C ATOM 594 CD2 LEU A 36 -0.063 -9.200 -0.522 1.00 0.00 C ATOM 0 H LEU A 36 1.532 -5.110 -2.300 1.00 0.00 H new ATOM 0 HA LEU A 36 3.131 -7.248 -1.314 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.274 -6.127 -0.094 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.129 -6.780 -1.249 1.00 0.00 H new ATOM 0 HG LEU A 36 1.877 -8.714 0.216 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.320 -8.740 2.124 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.166 -7.181 1.984 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.525 -7.327 1.449 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.170 -10.080 0.112 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.034 -8.720 -0.644 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.319 -9.500 -1.498 1.00 0.00 H new ATOM 606 N GLN A 37 1.206 -7.834 -3.879 1.00 0.00 N ATOM 607 CA GLN A 37 0.866 -8.818 -4.899 1.00 0.00 C ATOM 608 C GLN A 37 2.102 -9.596 -5.339 1.00 0.00 C ATOM 609 O GLN A 37 2.029 -10.793 -5.617 1.00 0.00 O ATOM 610 CB GLN A 37 0.226 -8.131 -6.106 1.00 0.00 C ATOM 611 CG GLN A 37 -1.027 -8.830 -6.611 1.00 0.00 C ATOM 612 CD GLN A 37 -2.094 -8.958 -5.540 1.00 0.00 C ATOM 613 OE1 GLN A 37 -2.089 -9.904 -4.753 1.00 0.00 O ATOM 614 NE2 GLN A 37 -3.015 -8.002 -5.506 1.00 0.00 N ATOM 0 H GLN A 37 0.878 -6.889 -4.078 1.00 0.00 H new ATOM 0 HA GLN A 37 0.152 -9.520 -4.467 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -0.024 -7.104 -5.839 1.00 0.00 H new ATOM 0 HB3 GLN A 37 0.955 -8.082 -6.915 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -1.432 -8.276 -7.458 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -0.763 -9.822 -6.976 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -2.980 -7.236 -6.179 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -3.757 -8.034 -4.807 1.00 0.00 H new ATOM 623 N HIS A 38 3.238 -8.908 -5.399 1.00 0.00 N ATOM 624 CA HIS A 38 4.491 -9.535 -5.805 1.00 0.00 C ATOM 625 C HIS A 38 4.891 -10.633 -4.824 1.00 0.00 C ATOM 626 O HIS A 38 5.118 -11.777 -5.218 1.00 0.00 O ATOM 627 CB HIS A 38 5.602 -8.489 -5.897 1.00 0.00 C ATOM 628 CG HIS A 38 5.697 -7.834 -7.241 1.00 0.00 C ATOM 629 ND1 HIS A 38 4.632 -7.203 -7.848 1.00 0.00 N ATOM 630 CD2 HIS A 38 6.740 -7.713 -8.096 1.00 0.00 C ATOM 631 CE1 HIS A 38 5.015 -6.723 -9.018 1.00 0.00 C ATOM 632 NE2 HIS A 38 6.291 -7.019 -9.192 1.00 0.00 N ATOM 0 H HIS A 38 3.317 -7.917 -5.172 1.00 0.00 H new ATOM 0 HA HIS A 38 4.343 -9.985 -6.787 1.00 0.00 H new ATOM 0 HB2 HIS A 38 5.433 -7.723 -5.140 1.00 0.00 H new ATOM 0 HB3 HIS A 38 6.556 -8.962 -5.664 1.00 0.00 H new ATOM 0 HD2 HIS A 38 7.740 -8.092 -7.944 1.00 0.00 H new ATOM 0 HE1 HIS A 38 4.391 -6.181 -9.714 1.00 0.00 H new ATOM 0 HE2 HIS A 38 6.851 -6.772 -10.008 1.00 0.00 H new ATOM 640 N GLN A 39 4.975 -10.277 -3.546 1.00 0.00 N ATOM 641 CA GLN A 39 5.350 -11.233 -2.510 1.00 0.00 C ATOM 642 C GLN A 39 4.413 -12.436 -2.516 1.00 0.00 C ATOM 643 O GLN A 39 4.846 -13.575 -2.342 1.00 0.00 O ATOM 644 CB GLN A 39 5.329 -10.562 -1.136 1.00 0.00 C ATOM 645 CG GLN A 39 6.232 -9.342 -1.041 1.00 0.00 C ATOM 646 CD GLN A 39 7.644 -9.623 -1.517 1.00 0.00 C ATOM 647 OE1 GLN A 39 8.047 -9.184 -2.596 1.00 0.00 O ATOM 648 NE2 GLN A 39 8.405 -10.358 -0.715 1.00 0.00 N ATOM 0 H GLN A 39 4.789 -9.335 -3.203 1.00 0.00 H new ATOM 0 HA GLN A 39 6.361 -11.582 -2.721 1.00 0.00 H new ATOM 0 HB2 GLN A 39 4.307 -10.266 -0.901 1.00 0.00 H new ATOM 0 HB3 GLN A 39 5.632 -11.288 -0.382 1.00 0.00 H new ATOM 0 HG2 GLN A 39 5.807 -8.533 -1.635 1.00 0.00 H new ATOM 0 HG3 GLN A 39 6.263 -8.997 -0.007 1.00 0.00 H new ATOM 0 HE21 GLN A 39 8.031 -10.701 0.170 1.00 0.00 H new ATOM 0 HE22 GLN A 39 9.364 -10.580 -0.984 1.00 0.00 H new ATOM 657 N LEU A 40 3.125 -12.175 -2.714 1.00 0.00 N ATOM 658 CA LEU A 40 2.125 -13.237 -2.742 1.00 0.00 C ATOM 659 C LEU A 40 2.382 -14.198 -3.899 1.00 0.00 C ATOM 660 O LEU A 40 2.372 -15.416 -3.721 1.00 0.00 O ATOM 661 CB LEU A 40 0.722 -12.640 -2.862 1.00 0.00 C ATOM 662 CG LEU A 40 -0.395 -13.619 -3.225 1.00 0.00 C ATOM 663 CD1 LEU A 40 -0.645 -14.591 -2.083 1.00 0.00 C ATOM 664 CD2 LEU A 40 -1.671 -12.867 -3.576 1.00 0.00 C ATOM 0 H LEU A 40 2.749 -11.238 -2.857 1.00 0.00 H new ATOM 0 HA LEU A 40 2.197 -13.795 -1.808 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.468 -12.166 -1.914 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.747 -11.853 -3.616 1.00 0.00 H new ATOM 0 HG LEU A 40 -0.081 -14.190 -4.099 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.443 -15.280 -2.360 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.266 -15.154 -1.878 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.937 -14.037 -1.191 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.455 -13.580 -3.832 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.988 -12.270 -2.721 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.485 -12.212 -4.427 1.00 0.00 H new ATOM 676 N ASP A 41 2.615 -13.641 -5.082 1.00 0.00 N ATOM 677 CA ASP A 41 2.878 -14.448 -6.268 1.00 0.00 C ATOM 678 C ASP A 41 4.094 -15.345 -6.055 1.00 0.00 C ATOM 679 O ASP A 41 4.073 -16.526 -6.403 1.00 0.00 O ATOM 680 CB ASP A 41 3.100 -13.548 -7.485 1.00 0.00 C ATOM 681 CG ASP A 41 1.807 -13.218 -8.204 1.00 0.00 C ATOM 682 OD1 ASP A 41 0.787 -12.997 -7.519 1.00 0.00 O ATOM 683 OD2 ASP A 41 1.815 -13.182 -9.452 1.00 0.00 O ATOM 0 H ASP A 41 2.627 -12.634 -5.246 1.00 0.00 H new ATOM 0 HA ASP A 41 2.008 -15.080 -6.448 1.00 0.00 H new ATOM 0 HB2 ASP A 41 3.582 -12.623 -7.167 1.00 0.00 H new ATOM 0 HB3 ASP A 41 3.782 -14.040 -8.178 1.00 0.00 H new ATOM 688 N GLU A 42 5.151 -14.777 -5.484 1.00 0.00 N ATOM 689 CA GLU A 42 6.375 -15.526 -5.227 1.00 0.00 C ATOM 690 C GLU A 42 6.167 -16.543 -4.108 1.00 0.00 C ATOM 691 O GLU A 42 6.709 -17.647 -4.148 1.00 0.00 O ATOM 692 CB GLU A 42 7.514 -14.573 -4.860 1.00 0.00 C ATOM 693 CG GLU A 42 8.746 -15.279 -4.318 1.00 0.00 C ATOM 694 CD GLU A 42 9.352 -16.246 -5.316 1.00 0.00 C ATOM 695 OE1 GLU A 42 9.092 -16.088 -6.528 1.00 0.00 O ATOM 696 OE2 GLU A 42 10.086 -17.160 -4.885 1.00 0.00 O ATOM 0 H GLU A 42 5.184 -13.801 -5.191 1.00 0.00 H new ATOM 0 HA GLU A 42 6.639 -16.064 -6.138 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.794 -13.997 -5.742 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.156 -13.862 -4.116 1.00 0.00 H new ATOM 0 HG2 GLU A 42 9.493 -14.535 -4.039 1.00 0.00 H new ATOM 0 HG3 GLU A 42 8.480 -15.820 -3.410 1.00 0.00 H new ATOM 703 N LEU A 43 5.377 -16.161 -3.111 1.00 0.00 N ATOM 704 CA LEU A 43 5.096 -17.037 -1.978 1.00 0.00 C ATOM 705 C LEU A 43 4.204 -18.200 -2.399 1.00 0.00 C ATOM 706 O LEU A 43 4.280 -19.290 -1.835 1.00 0.00 O ATOM 707 CB LEU A 43 4.429 -16.248 -0.850 1.00 0.00 C ATOM 708 CG LEU A 43 4.156 -17.023 0.439 1.00 0.00 C ATOM 709 CD1 LEU A 43 2.877 -17.837 0.314 1.00 0.00 C ATOM 710 CD2 LEU A 43 5.334 -17.926 0.779 1.00 0.00 C ATOM 0 H LEU A 43 4.919 -15.251 -3.064 1.00 0.00 H new ATOM 0 HA LEU A 43 6.042 -17.441 -1.618 1.00 0.00 H new ATOM 0 HB2 LEU A 43 5.060 -15.392 -0.609 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.483 -15.852 -1.220 1.00 0.00 H new ATOM 0 HG LEU A 43 4.027 -16.306 1.250 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.700 -18.381 1.242 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.038 -17.169 0.120 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.975 -18.545 -0.509 1.00 0.00 H new ATOM 0 HD21 LEU A 43 5.122 -18.470 1.700 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.495 -18.635 -0.033 1.00 0.00 H new ATOM 0 HD23 LEU A 43 6.230 -17.320 0.914 1.00 0.00 H new ATOM 722 N ASN A 44 3.358 -17.960 -3.396 1.00 0.00 N ATOM 723 CA ASN A 44 2.451 -18.988 -3.894 1.00 0.00 C ATOM 724 C ASN A 44 3.213 -20.260 -4.252 1.00 0.00 C ATOM 725 O ASN A 44 2.803 -21.362 -3.894 1.00 0.00 O ATOM 726 CB ASN A 44 1.688 -18.475 -5.117 1.00 0.00 C ATOM 727 CG ASN A 44 0.246 -18.133 -4.798 1.00 0.00 C ATOM 728 OD1 ASN A 44 -0.659 -18.939 -5.020 1.00 0.00 O ATOM 729 ND2 ASN A 44 0.024 -16.934 -4.274 1.00 0.00 N ATOM 0 H ASN A 44 3.282 -17.063 -3.875 1.00 0.00 H new ATOM 0 HA ASN A 44 1.739 -19.224 -3.103 1.00 0.00 H new ATOM 0 HB2 ASN A 44 2.190 -17.591 -5.510 1.00 0.00 H new ATOM 0 HB3 ASN A 44 1.714 -19.231 -5.901 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -0.926 -16.648 -4.038 1.00 0.00 H new ATOM 0 HD22 ASN A 44 0.804 -16.298 -4.107 1.00 0.00 H new ATOM 736 N GLU A 45 4.326 -20.095 -4.961 1.00 0.00 N ATOM 737 CA GLU A 45 5.146 -21.230 -5.368 1.00 0.00 C ATOM 738 C GLU A 45 6.208 -21.539 -4.316 1.00 0.00 C ATOM 739 O GLU A 45 6.391 -22.691 -3.924 1.00 0.00 O ATOM 740 CB GLU A 45 5.815 -20.948 -6.715 1.00 0.00 C ATOM 741 CG GLU A 45 4.860 -21.020 -7.895 1.00 0.00 C ATOM 742 CD GLU A 45 5.481 -20.505 -9.179 1.00 0.00 C ATOM 743 OE1 GLU A 45 5.789 -19.297 -9.249 1.00 0.00 O ATOM 744 OE2 GLU A 45 5.659 -21.313 -10.115 1.00 0.00 O ATOM 0 H GLU A 45 4.680 -19.188 -5.265 1.00 0.00 H new ATOM 0 HA GLU A 45 4.494 -22.098 -5.469 1.00 0.00 H new ATOM 0 HB2 GLU A 45 6.269 -19.957 -6.686 1.00 0.00 H new ATOM 0 HB3 GLU A 45 6.622 -21.664 -6.867 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.542 -22.053 -8.038 1.00 0.00 H new ATOM 0 HG3 GLU A 45 3.965 -20.439 -7.670 1.00 0.00 H new ATOM 751 N ASN A 46 6.903 -20.501 -3.863 1.00 0.00 N ATOM 752 CA ASN A 46 7.948 -20.662 -2.857 1.00 0.00 C ATOM 753 C ASN A 46 7.422 -21.423 -1.645 1.00 0.00 C ATOM 754 O ASN A 46 8.140 -22.219 -1.038 1.00 0.00 O ATOM 755 CB ASN A 46 8.481 -19.295 -2.424 1.00 0.00 C ATOM 756 CG ASN A 46 9.715 -19.406 -1.550 1.00 0.00 C ATOM 757 OD1 ASN A 46 10.203 -20.504 -1.283 1.00 0.00 O ATOM 758 ND2 ASN A 46 10.223 -18.266 -1.097 1.00 0.00 N ATOM 0 H ASN A 46 6.762 -19.540 -4.176 1.00 0.00 H new ATOM 0 HA ASN A 46 8.761 -21.238 -3.300 1.00 0.00 H new ATOM 0 HB2 ASN A 46 8.718 -18.704 -3.308 1.00 0.00 H new ATOM 0 HB3 ASN A 46 7.702 -18.759 -1.882 1.00 0.00 H new ATOM 0 HD21 ASN A 46 11.051 -18.278 -0.502 1.00 0.00 H new ATOM 0 HD22 ASN A 46 9.785 -17.379 -1.344 1.00 0.00 H new ATOM 765 N LYS A 47 6.165 -21.175 -1.296 1.00 0.00 N ATOM 766 CA LYS A 47 5.540 -21.838 -0.157 1.00 0.00 C ATOM 767 C LYS A 47 6.423 -21.737 1.082 1.00 0.00 C ATOM 768 O LYS A 47 6.460 -22.650 1.906 1.00 0.00 O ATOM 769 CB LYS A 47 5.267 -23.308 -0.483 1.00 0.00 C ATOM 770 CG LYS A 47 4.357 -23.506 -1.683 1.00 0.00 C ATOM 771 CD LYS A 47 2.891 -23.452 -1.287 1.00 0.00 C ATOM 772 CE LYS A 47 2.040 -24.340 -2.181 1.00 0.00 C ATOM 773 NZ LYS A 47 0.973 -25.042 -1.413 1.00 0.00 N ATOM 0 H LYS A 47 5.557 -20.519 -1.786 1.00 0.00 H new ATOM 0 HA LYS A 47 4.595 -21.337 0.050 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.215 -23.812 -0.670 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.817 -23.787 0.387 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.562 -22.736 -2.427 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.573 -24.467 -2.150 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.781 -23.767 -0.249 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.534 -22.424 -1.348 1.00 0.00 H new ATOM 0 HE2 LYS A 47 1.585 -23.736 -2.966 1.00 0.00 H new ATOM 0 HE3 LYS A 47 2.676 -25.075 -2.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 0.295 -25.472 -2.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 1.401 -25.785 -0.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 0.478 -24.360 -0.804 1.00 0.00 H new ATOM 787 N SER A 48 7.134 -20.620 1.208 1.00 0.00 N ATOM 788 CA SER A 48 8.019 -20.401 2.346 1.00 0.00 C ATOM 789 C SER A 48 7.217 -20.199 3.628 1.00 0.00 C ATOM 790 O SER A 48 6.250 -19.437 3.655 1.00 0.00 O ATOM 791 CB SER A 48 8.916 -19.188 2.095 1.00 0.00 C ATOM 792 OG SER A 48 9.339 -18.605 3.316 1.00 0.00 O ATOM 0 H SER A 48 7.114 -19.853 0.536 1.00 0.00 H new ATOM 0 HA SER A 48 8.643 -21.287 2.465 1.00 0.00 H new ATOM 0 HB2 SER A 48 9.786 -19.490 1.512 1.00 0.00 H new ATOM 0 HB3 SER A 48 8.376 -18.449 1.503 1.00 0.00 H new ATOM 0 HG SER A 48 10.137 -18.059 3.159 1.00 0.00 H new ATOM 798 N LYS A 49 7.624 -20.886 4.689 1.00 0.00 N ATOM 799 CA LYS A 49 6.945 -20.783 5.975 1.00 0.00 C ATOM 800 C LYS A 49 7.074 -19.374 6.546 1.00 0.00 C ATOM 801 O LYS A 49 6.090 -18.783 6.990 1.00 0.00 O ATOM 802 CB LYS A 49 7.523 -21.799 6.963 1.00 0.00 C ATOM 803 CG LYS A 49 9.035 -21.727 7.096 1.00 0.00 C ATOM 804 CD LYS A 49 9.651 -23.112 7.209 1.00 0.00 C ATOM 805 CE LYS A 49 11.052 -23.148 6.616 1.00 0.00 C ATOM 806 NZ LYS A 49 11.556 -24.542 6.471 1.00 0.00 N ATOM 0 H LYS A 49 8.422 -21.521 4.684 1.00 0.00 H new ATOM 0 HA LYS A 49 5.888 -20.998 5.818 1.00 0.00 H new ATOM 0 HB2 LYS A 49 7.073 -21.637 7.942 1.00 0.00 H new ATOM 0 HB3 LYS A 49 7.242 -22.803 6.645 1.00 0.00 H new ATOM 0 HG2 LYS A 49 9.453 -21.211 6.232 1.00 0.00 H new ATOM 0 HG3 LYS A 49 9.296 -21.139 7.976 1.00 0.00 H new ATOM 0 HD2 LYS A 49 9.690 -23.410 8.257 1.00 0.00 H new ATOM 0 HD3 LYS A 49 9.018 -23.836 6.695 1.00 0.00 H new ATOM 0 HE2 LYS A 49 11.047 -22.660 5.641 1.00 0.00 H new ATOM 0 HE3 LYS A 49 11.731 -22.581 7.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 12.513 -24.525 6.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 11.585 -24.999 7.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 10.922 -25.077 5.843 1.00 0.00 H new ATOM 820 N GLU A 50 8.292 -18.842 6.529 1.00 0.00 N ATOM 821 CA GLU A 50 8.547 -17.502 7.045 1.00 0.00 C ATOM 822 C GLU A 50 7.880 -16.446 6.168 1.00 0.00 C ATOM 823 O GLU A 50 7.253 -15.511 6.670 1.00 0.00 O ATOM 824 CB GLU A 50 10.052 -17.240 7.123 1.00 0.00 C ATOM 825 CG GLU A 50 10.777 -17.453 5.804 1.00 0.00 C ATOM 826 CD GLU A 50 12.282 -17.335 5.940 1.00 0.00 C ATOM 827 OE1 GLU A 50 12.930 -18.357 6.253 1.00 0.00 O ATOM 828 OE2 GLU A 50 12.812 -16.224 5.736 1.00 0.00 O ATOM 0 H GLU A 50 9.117 -19.318 6.164 1.00 0.00 H new ATOM 0 HA GLU A 50 8.122 -17.439 8.047 1.00 0.00 H new ATOM 0 HB2 GLU A 50 10.217 -16.216 7.457 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.488 -17.895 7.877 1.00 0.00 H new ATOM 0 HG2 GLU A 50 10.528 -18.439 5.412 1.00 0.00 H new ATOM 0 HG3 GLU A 50 10.423 -16.722 5.077 1.00 0.00 H new ATOM 835 N LEU A 51 8.020 -16.600 4.857 1.00 0.00 N ATOM 836 CA LEU A 51 7.432 -15.659 3.909 1.00 0.00 C ATOM 837 C LEU A 51 5.912 -15.637 4.036 1.00 0.00 C ATOM 838 O LEU A 51 5.285 -14.586 3.908 1.00 0.00 O ATOM 839 CB LEU A 51 7.830 -16.031 2.479 1.00 0.00 C ATOM 840 CG LEU A 51 7.602 -14.954 1.418 1.00 0.00 C ATOM 841 CD1 LEU A 51 8.346 -13.678 1.784 1.00 0.00 C ATOM 842 CD2 LEU A 51 8.039 -15.453 0.048 1.00 0.00 C ATOM 0 H LEU A 51 8.535 -17.367 4.425 1.00 0.00 H new ATOM 0 HA LEU A 51 7.812 -14.664 4.139 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.887 -16.299 2.475 1.00 0.00 H new ATOM 0 HB3 LEU A 51 7.274 -16.922 2.189 1.00 0.00 H new ATOM 0 HG LEU A 51 6.536 -14.731 1.378 1.00 0.00 H new ATOM 0 HD11 LEU A 51 8.172 -12.923 1.017 1.00 0.00 H new ATOM 0 HD12 LEU A 51 7.986 -13.310 2.745 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.414 -13.886 1.852 1.00 0.00 H new ATOM 0 HD21 LEU A 51 7.869 -14.673 -0.694 1.00 0.00 H new ATOM 0 HD22 LEU A 51 9.099 -15.705 0.074 1.00 0.00 H new ATOM 0 HD23 LEU A 51 7.462 -16.339 -0.218 1.00 0.00 H new ATOM 854 N GLN A 52 5.327 -16.803 4.291 1.00 0.00 N ATOM 855 CA GLN A 52 3.880 -16.916 4.437 1.00 0.00 C ATOM 856 C GLN A 52 3.410 -16.246 5.723 1.00 0.00 C ATOM 857 O GLN A 52 2.483 -15.436 5.708 1.00 0.00 O ATOM 858 CB GLN A 52 3.459 -18.386 4.430 1.00 0.00 C ATOM 859 CG GLN A 52 2.001 -18.603 4.799 1.00 0.00 C ATOM 860 CD GLN A 52 1.805 -18.862 6.280 1.00 0.00 C ATOM 861 OE1 GLN A 52 2.715 -19.328 6.966 1.00 0.00 O ATOM 862 NE2 GLN A 52 0.613 -18.560 6.782 1.00 0.00 N ATOM 0 H GLN A 52 5.832 -17.682 4.401 1.00 0.00 H new ATOM 0 HA GLN A 52 3.414 -16.408 3.593 1.00 0.00 H new ATOM 0 HB2 GLN A 52 3.640 -18.802 3.439 1.00 0.00 H new ATOM 0 HB3 GLN A 52 4.088 -18.939 5.128 1.00 0.00 H new ATOM 0 HG2 GLN A 52 1.422 -17.726 4.508 1.00 0.00 H new ATOM 0 HG3 GLN A 52 1.608 -19.447 4.232 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -0.113 -18.176 6.177 1.00 0.00 H new ATOM 0 HE22 GLN A 52 0.423 -18.712 7.773 1.00 0.00 H new ATOM 871 N GLU A 53 4.054 -16.589 6.834 1.00 0.00 N ATOM 872 CA GLU A 53 3.699 -16.019 8.129 1.00 0.00 C ATOM 873 C GLU A 53 3.916 -14.509 8.138 1.00 0.00 C ATOM 874 O GLU A 53 3.225 -13.776 8.845 1.00 0.00 O ATOM 875 CB GLU A 53 4.525 -16.672 9.241 1.00 0.00 C ATOM 876 CG GLU A 53 3.816 -17.824 9.930 1.00 0.00 C ATOM 877 CD GLU A 53 4.561 -18.320 11.153 1.00 0.00 C ATOM 878 OE1 GLU A 53 5.794 -18.499 11.065 1.00 0.00 O ATOM 879 OE2 GLU A 53 3.911 -18.530 12.199 1.00 0.00 O ATOM 0 H GLU A 53 4.823 -17.258 6.864 1.00 0.00 H new ATOM 0 HA GLU A 53 2.642 -16.216 8.307 1.00 0.00 H new ATOM 0 HB2 GLU A 53 5.463 -17.034 8.820 1.00 0.00 H new ATOM 0 HB3 GLU A 53 4.779 -15.916 9.984 1.00 0.00 H new ATOM 0 HG2 GLU A 53 2.815 -17.507 10.223 1.00 0.00 H new ATOM 0 HG3 GLU A 53 3.696 -18.646 9.224 1.00 0.00 H new ATOM 886 N LYS A 54 4.881 -14.052 7.348 1.00 0.00 N ATOM 887 CA LYS A 54 5.191 -12.629 7.262 1.00 0.00 C ATOM 888 C LYS A 54 4.134 -11.891 6.449 1.00 0.00 C ATOM 889 O LYS A 54 3.589 -10.879 6.894 1.00 0.00 O ATOM 890 CB LYS A 54 6.570 -12.424 6.632 1.00 0.00 C ATOM 891 CG LYS A 54 7.720 -12.660 7.594 1.00 0.00 C ATOM 892 CD LYS A 54 7.715 -11.648 8.729 1.00 0.00 C ATOM 893 CE LYS A 54 9.094 -11.504 9.354 1.00 0.00 C ATOM 894 NZ LYS A 54 9.399 -12.624 10.288 1.00 0.00 N ATOM 0 H LYS A 54 5.463 -14.646 6.757 1.00 0.00 H new ATOM 0 HA LYS A 54 5.196 -12.222 8.273 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.675 -13.097 5.781 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.635 -11.408 6.244 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.652 -13.668 8.004 1.00 0.00 H new ATOM 0 HG3 LYS A 54 8.665 -12.598 7.055 1.00 0.00 H new ATOM 0 HD2 LYS A 54 7.382 -10.680 8.354 1.00 0.00 H new ATOM 0 HD3 LYS A 54 7.000 -11.958 9.491 1.00 0.00 H new ATOM 0 HE2 LYS A 54 9.848 -11.472 8.567 1.00 0.00 H new ATOM 0 HE3 LYS A 54 9.152 -10.557 9.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 10.347 -12.490 10.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 8.695 -12.640 11.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 9.368 -13.526 9.771 1.00 0.00 H new ATOM 908 N ILE A 55 3.846 -12.402 5.257 1.00 0.00 N ATOM 909 CA ILE A 55 2.851 -11.791 4.384 1.00 0.00 C ATOM 910 C ILE A 55 1.485 -11.737 5.060 1.00 0.00 C ATOM 911 O ILE A 55 0.862 -10.678 5.138 1.00 0.00 O ATOM 912 CB ILE A 55 2.723 -12.557 3.053 1.00 0.00 C ATOM 913 CG1 ILE A 55 4.033 -12.481 2.269 1.00 0.00 C ATOM 914 CG2 ILE A 55 1.572 -11.998 2.230 1.00 0.00 C ATOM 915 CD1 ILE A 55 4.190 -13.584 1.245 1.00 0.00 C ATOM 0 H ILE A 55 4.287 -13.238 4.873 1.00 0.00 H new ATOM 0 HA ILE A 55 3.192 -10.776 4.179 1.00 0.00 H new ATOM 0 HB ILE A 55 2.513 -13.604 3.271 1.00 0.00 H new ATOM 0 HG12 ILE A 55 4.089 -11.517 1.764 1.00 0.00 H new ATOM 0 HG13 ILE A 55 4.868 -12.524 2.968 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.494 -12.549 1.293 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.642 -12.099 2.789 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.755 -10.945 2.018 1.00 0.00 H new ATOM 0 HD11 ILE A 55 5.142 -13.467 0.727 1.00 0.00 H new ATOM 0 HD12 ILE A 55 4.166 -14.552 1.746 1.00 0.00 H new ATOM 0 HD13 ILE A 55 3.375 -13.529 0.523 1.00 0.00 H new ATOM 927 N ILE A 56 1.027 -12.885 5.549 1.00 0.00 N ATOM 928 CA ILE A 56 -0.263 -12.968 6.221 1.00 0.00 C ATOM 929 C ILE A 56 -0.352 -11.962 7.364 1.00 0.00 C ATOM 930 O ILE A 56 -1.407 -11.377 7.608 1.00 0.00 O ATOM 931 CB ILE A 56 -0.520 -14.382 6.775 1.00 0.00 C ATOM 932 CG1 ILE A 56 -1.900 -14.453 7.431 1.00 0.00 C ATOM 933 CG2 ILE A 56 0.566 -14.766 7.768 1.00 0.00 C ATOM 934 CD1 ILE A 56 -2.401 -15.867 7.632 1.00 0.00 C ATOM 0 H ILE A 56 1.531 -13.770 5.492 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.023 -12.736 5.475 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.496 -15.091 5.948 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.861 -13.949 8.397 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -2.615 -13.907 6.815 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.371 -15.768 8.151 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.536 -14.750 7.271 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.571 -14.056 8.595 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -3.384 -15.841 8.102 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.473 -16.368 6.667 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -1.707 -16.411 8.273 1.00 0.00 H new ATOM 946 N ARG A 57 0.761 -11.767 8.061 1.00 0.00 N ATOM 947 CA ARG A 57 0.809 -10.831 9.179 1.00 0.00 C ATOM 948 C ARG A 57 0.609 -9.397 8.697 1.00 0.00 C ATOM 949 O ARG A 57 -0.254 -8.680 9.197 1.00 0.00 O ATOM 950 CB ARG A 57 2.144 -10.952 9.916 1.00 0.00 C ATOM 951 CG ARG A 57 2.026 -11.592 11.290 1.00 0.00 C ATOM 952 CD ARG A 57 1.448 -12.995 11.203 1.00 0.00 C ATOM 953 NE ARG A 57 2.252 -13.966 11.941 1.00 0.00 N ATOM 954 CZ ARG A 57 2.218 -14.094 13.263 1.00 0.00 C ATOM 955 NH1 ARG A 57 1.424 -13.318 13.988 1.00 0.00 N ATOM 956 NH2 ARG A 57 2.980 -15.000 13.863 1.00 0.00 N ATOM 0 H ARG A 57 1.643 -12.244 7.872 1.00 0.00 H new ATOM 0 HA ARG A 57 -0.000 -11.081 9.865 1.00 0.00 H new ATOM 0 HB2 ARG A 57 2.832 -11.540 9.309 1.00 0.00 H new ATOM 0 HB3 ARG A 57 2.581 -9.959 10.023 1.00 0.00 H new ATOM 0 HG2 ARG A 57 3.009 -11.631 11.760 1.00 0.00 H new ATOM 0 HG3 ARG A 57 1.392 -10.975 11.927 1.00 0.00 H new ATOM 0 HD2 ARG A 57 0.431 -12.993 11.596 1.00 0.00 H new ATOM 0 HD3 ARG A 57 1.385 -13.297 10.157 1.00 0.00 H new ATOM 0 HE ARG A 57 2.873 -14.579 11.413 1.00 0.00 H new ATOM 0 HH11 ARG A 57 0.837 -12.620 13.531 1.00 0.00 H new ATOM 0 HH12 ARG A 57 1.400 -13.419 15.003 1.00 0.00 H new ATOM 0 HH21 ARG A 57 3.592 -15.599 13.309 1.00 0.00 H new ATOM 0 HH22 ARG A 57 2.953 -15.097 14.878 1.00 0.00 H new ATOM 970 N GLU A 58 1.417 -8.989 7.722 1.00 0.00 N ATOM 971 CA GLU A 58 1.330 -7.641 7.174 1.00 0.00 C ATOM 972 C GLU A 58 -0.035 -7.400 6.537 1.00 0.00 C ATOM 973 O GLU A 58 -0.641 -6.342 6.719 1.00 0.00 O ATOM 974 CB GLU A 58 2.435 -7.414 6.140 1.00 0.00 C ATOM 975 CG GLU A 58 3.757 -6.978 6.749 1.00 0.00 C ATOM 976 CD GLU A 58 4.831 -6.746 5.704 1.00 0.00 C ATOM 977 OE1 GLU A 58 4.520 -6.849 4.499 1.00 0.00 O ATOM 978 OE2 GLU A 58 5.983 -6.460 6.093 1.00 0.00 O ATOM 0 H GLU A 58 2.138 -9.572 7.297 1.00 0.00 H new ATOM 0 HA GLU A 58 1.459 -6.934 7.994 1.00 0.00 H new ATOM 0 HB2 GLU A 58 2.590 -8.335 5.578 1.00 0.00 H new ATOM 0 HB3 GLU A 58 2.105 -6.657 5.428 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.606 -6.061 7.319 1.00 0.00 H new ATOM 0 HG3 GLU A 58 4.097 -7.738 7.452 1.00 0.00 H new ATOM 985 N LEU A 59 -0.515 -8.387 5.788 1.00 0.00 N ATOM 986 CA LEU A 59 -1.808 -8.284 5.123 1.00 0.00 C ATOM 987 C LEU A 59 -2.942 -8.220 6.142 1.00 0.00 C ATOM 988 O LEU A 59 -3.952 -7.552 5.920 1.00 0.00 O ATOM 989 CB LEU A 59 -2.018 -9.474 4.184 1.00 0.00 C ATOM 990 CG LEU A 59 -2.757 -9.177 2.879 1.00 0.00 C ATOM 991 CD1 LEU A 59 -3.053 -10.466 2.129 1.00 0.00 C ATOM 992 CD2 LEU A 59 -4.042 -8.411 3.155 1.00 0.00 C ATOM 0 H LEU A 59 -0.027 -9.268 5.626 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.816 -7.363 4.540 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.043 -9.894 3.938 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -2.570 -10.244 4.723 1.00 0.00 H new ATOM 0 HG LEU A 59 -2.116 -8.556 2.254 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.579 -10.235 1.203 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.118 -10.975 1.898 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.675 -11.113 2.748 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.554 -8.209 2.214 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.689 -9.006 3.800 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -3.805 -7.469 3.649 1.00 0.00 H new ATOM 1004 N ASP A 60 -2.766 -8.918 7.258 1.00 0.00 N ATOM 1005 CA ASP A 60 -3.773 -8.938 8.313 1.00 0.00 C ATOM 1006 C ASP A 60 -3.904 -7.566 8.967 1.00 0.00 C ATOM 1007 O ASP A 60 -4.997 -7.005 9.044 1.00 0.00 O ATOM 1008 CB ASP A 60 -3.416 -9.986 9.369 1.00 0.00 C ATOM 1009 CG ASP A 60 -4.469 -10.100 10.452 1.00 0.00 C ATOM 1010 OD1 ASP A 60 -5.657 -10.274 10.107 1.00 0.00 O ATOM 1011 OD2 ASP A 60 -4.108 -10.014 11.644 1.00 0.00 O ATOM 0 H ASP A 60 -1.936 -9.477 7.456 1.00 0.00 H new ATOM 0 HA ASP A 60 -4.730 -9.199 7.861 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -3.289 -10.955 8.886 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -2.459 -9.729 9.823 1.00 0.00 H new ATOM 1016 N VAL A 61 -2.781 -7.029 9.435 1.00 0.00 N ATOM 1017 CA VAL A 61 -2.770 -5.722 10.081 1.00 0.00 C ATOM 1018 C VAL A 61 -3.250 -4.634 9.127 1.00 0.00 C ATOM 1019 O VAL A 61 -3.995 -3.734 9.518 1.00 0.00 O ATOM 1020 CB VAL A 61 -1.363 -5.359 10.589 1.00 0.00 C ATOM 1021 CG1 VAL A 61 -0.961 -6.266 11.742 1.00 0.00 C ATOM 1022 CG2 VAL A 61 -0.350 -5.442 9.458 1.00 0.00 C ATOM 0 H VAL A 61 -1.867 -7.479 9.379 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.450 -5.783 10.930 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.382 -4.332 10.955 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.036 -5.994 12.088 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.672 -6.152 12.560 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.959 -7.303 11.406 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.639 -5.182 9.836 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -0.331 -6.457 9.060 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.630 -4.747 8.667 1.00 0.00 H new ATOM 1032 N VAL A 62 -2.819 -4.721 7.873 1.00 0.00 N ATOM 1033 CA VAL A 62 -3.205 -3.745 6.861 1.00 0.00 C ATOM 1034 C VAL A 62 -4.696 -3.833 6.554 1.00 0.00 C ATOM 1035 O VAL A 62 -5.424 -2.847 6.674 1.00 0.00 O ATOM 1036 CB VAL A 62 -2.411 -3.943 5.557 1.00 0.00 C ATOM 1037 CG1 VAL A 62 -2.976 -3.068 4.449 1.00 0.00 C ATOM 1038 CG2 VAL A 62 -0.935 -3.646 5.781 1.00 0.00 C ATOM 0 H VAL A 62 -2.202 -5.458 7.533 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.978 -2.760 7.269 1.00 0.00 H new ATOM 0 HB VAL A 62 -2.506 -4.984 5.249 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -2.402 -3.222 3.535 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -4.018 -3.333 4.272 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.914 -2.021 4.745 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -0.389 -3.791 4.849 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -0.818 -2.615 6.113 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -0.540 -4.319 6.542 1.00 0.00 H new ATOM 1048 N CYS A 63 -5.143 -5.018 6.156 1.00 0.00 N ATOM 1049 CA CYS A 63 -6.548 -5.236 5.831 1.00 0.00 C ATOM 1050 C CYS A 63 -7.440 -4.905 7.023 1.00 0.00 C ATOM 1051 O CYS A 63 -8.601 -4.534 6.858 1.00 0.00 O ATOM 1052 CB CYS A 63 -6.774 -6.685 5.397 1.00 0.00 C ATOM 1053 SG CYS A 63 -6.896 -7.857 6.769 1.00 0.00 S ATOM 0 H CYS A 63 -4.553 -5.843 6.050 1.00 0.00 H new ATOM 0 HA CYS A 63 -6.812 -4.572 5.008 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -7.688 -6.737 4.806 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -5.955 -6.989 4.745 1.00 0.00 H new ATOM 0 HG CYS A 63 -6.108 -7.481 7.732 1.00 0.00 H new ATOM 1059 N ALA A 64 -6.889 -5.043 8.225 1.00 0.00 N ATOM 1060 CA ALA A 64 -7.634 -4.758 9.444 1.00 0.00 C ATOM 1061 C ALA A 64 -7.857 -3.259 9.613 1.00 0.00 C ATOM 1062 O ALA A 64 -8.995 -2.798 9.699 1.00 0.00 O ATOM 1063 CB ALA A 64 -6.904 -5.324 10.653 1.00 0.00 C ATOM 0 H ALA A 64 -5.929 -5.351 8.380 1.00 0.00 H new ATOM 0 HA ALA A 64 -8.610 -5.238 9.365 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -7.472 -5.104 11.557 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -6.801 -6.404 10.543 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -5.915 -4.871 10.726 1.00 0.00 H new ATOM 1069 N MET A 65 -6.765 -2.504 9.661 1.00 0.00 N ATOM 1070 CA MET A 65 -6.843 -1.057 9.819 1.00 0.00 C ATOM 1071 C MET A 65 -7.603 -0.422 8.657 1.00 0.00 C ATOM 1072 O MET A 65 -8.379 0.514 8.850 1.00 0.00 O ATOM 1073 CB MET A 65 -5.439 -0.456 9.913 1.00 0.00 C ATOM 1074 CG MET A 65 -4.593 -0.691 8.671 1.00 0.00 C ATOM 1075 SD MET A 65 -2.919 -0.041 8.838 1.00 0.00 S ATOM 1076 CE MET A 65 -2.073 -1.460 9.530 1.00 0.00 C ATOM 0 H MET A 65 -5.815 -2.870 9.593 1.00 0.00 H new ATOM 0 HA MET A 65 -7.384 -0.847 10.742 1.00 0.00 H new ATOM 0 HB2 MET A 65 -5.523 0.617 10.088 1.00 0.00 H new ATOM 0 HB3 MET A 65 -4.928 -0.881 10.777 1.00 0.00 H new ATOM 0 HG2 MET A 65 -4.545 -1.760 8.466 1.00 0.00 H new ATOM 0 HG3 MET A 65 -5.076 -0.224 7.813 1.00 0.00 H new ATOM 0 HE1 MET A 65 -1.144 -1.137 9.999 1.00 0.00 H new ATOM 0 HE2 MET A 65 -2.710 -1.935 10.276 1.00 0.00 H new ATOM 0 HE3 MET A 65 -1.850 -2.173 8.737 1.00 0.00 H new ATOM 1086 N ILE A 66 -7.375 -0.939 7.455 1.00 0.00 N ATOM 1087 CA ILE A 66 -8.040 -0.424 6.265 1.00 0.00 C ATOM 1088 C ILE A 66 -9.538 -0.704 6.306 1.00 0.00 C ATOM 1089 O ILE A 66 -10.351 0.172 6.016 1.00 0.00 O ATOM 1090 CB ILE A 66 -7.449 -1.035 4.980 1.00 0.00 C ATOM 1091 CG1 ILE A 66 -6.391 -0.104 4.386 1.00 0.00 C ATOM 1092 CG2 ILE A 66 -8.551 -1.309 3.968 1.00 0.00 C ATOM 1093 CD1 ILE A 66 -5.175 0.072 5.269 1.00 0.00 C ATOM 0 H ILE A 66 -6.735 -1.714 7.279 1.00 0.00 H new ATOM 0 HA ILE A 66 -7.875 0.653 6.254 1.00 0.00 H new ATOM 0 HB ILE A 66 -6.971 -1.982 5.232 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -6.074 -0.497 3.420 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -6.840 0.872 4.201 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -8.117 -1.740 3.066 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -9.271 -2.007 4.394 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -9.055 -0.376 3.718 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -4.468 0.745 4.784 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -5.479 0.494 6.227 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -4.701 -0.896 5.433 1.00 0.00 H new ATOM 1105 N GLU A 67 -9.894 -1.933 6.669 1.00 0.00 N ATOM 1106 CA GLU A 67 -11.295 -2.329 6.750 1.00 0.00 C ATOM 1107 C GLU A 67 -12.051 -1.457 7.748 1.00 0.00 C ATOM 1108 O GLU A 67 -13.147 -0.977 7.465 1.00 0.00 O ATOM 1109 CB GLU A 67 -11.411 -3.801 7.151 1.00 0.00 C ATOM 1110 CG GLU A 67 -11.343 -4.760 5.975 1.00 0.00 C ATOM 1111 CD GLU A 67 -11.398 -6.213 6.404 1.00 0.00 C ATOM 1112 OE1 GLU A 67 -12.496 -6.683 6.767 1.00 0.00 O ATOM 1113 OE2 GLU A 67 -10.342 -6.880 6.376 1.00 0.00 O ATOM 0 H GLU A 67 -9.232 -2.670 6.911 1.00 0.00 H new ATOM 0 HA GLU A 67 -11.741 -2.193 5.765 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -10.612 -4.042 7.852 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -12.353 -3.952 7.678 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -12.170 -4.554 5.295 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -10.422 -4.584 5.420 1.00 0.00 H new ATOM 1120 N GLY A 68 -11.455 -1.257 8.919 1.00 0.00 N ATOM 1121 CA GLY A 68 -12.085 -0.444 9.944 1.00 0.00 C ATOM 1122 C GLY A 68 -12.239 1.004 9.521 1.00 0.00 C ATOM 1123 O GLY A 68 -13.333 1.563 9.586 1.00 0.00 O ATOM 0 H GLY A 68 -10.547 -1.643 9.177 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -13.066 -0.857 10.179 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -11.492 -0.492 10.857 1.00 0.00 H new ATOM 1127 N ALA A 69 -11.139 1.613 9.091 1.00 0.00 N ATOM 1128 CA ALA A 69 -11.156 3.004 8.656 1.00 0.00 C ATOM 1129 C ALA A 69 -12.088 3.195 7.465 1.00 0.00 C ATOM 1130 O ALA A 69 -13.002 4.018 7.506 1.00 0.00 O ATOM 1131 CB ALA A 69 -9.749 3.466 8.308 1.00 0.00 C ATOM 0 H ALA A 69 -10.225 1.165 9.035 1.00 0.00 H new ATOM 0 HA ALA A 69 -11.532 3.612 9.479 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -9.777 4.507 7.985 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -9.109 3.376 9.186 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -9.351 2.847 7.504 1.00 0.00 H new ATOM 1137 N GLN A 70 -11.850 2.430 6.404 1.00 0.00 N ATOM 1138 CA GLN A 70 -12.668 2.517 5.201 1.00 0.00 C ATOM 1139 C GLN A 70 -14.130 2.217 5.513 1.00 0.00 C ATOM 1140 O GLN A 70 -15.034 2.850 4.969 1.00 0.00 O ATOM 1141 CB GLN A 70 -12.152 1.547 4.136 1.00 0.00 C ATOM 1142 CG GLN A 70 -12.442 1.995 2.713 1.00 0.00 C ATOM 1143 CD GLN A 70 -12.644 0.830 1.764 1.00 0.00 C ATOM 1144 OE1 GLN A 70 -11.791 0.541 0.925 1.00 0.00 O ATOM 1145 NE2 GLN A 70 -13.779 0.151 1.892 1.00 0.00 N ATOM 0 H GLN A 70 -11.097 1.743 6.354 1.00 0.00 H new ATOM 0 HA GLN A 70 -12.599 3.535 4.819 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -11.076 1.426 4.258 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -12.603 0.568 4.299 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -13.334 2.622 2.708 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -11.617 2.611 2.355 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -14.460 0.424 2.601 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -13.970 -0.643 1.281 1.00 0.00 H new ATOM 1154 N GLY A 71 -14.355 1.246 6.393 1.00 0.00 N ATOM 1155 CA GLY A 71 -15.710 0.878 6.762 1.00 0.00 C ATOM 1156 C GLY A 71 -16.471 2.028 7.393 1.00 0.00 C ATOM 1157 O GLY A 71 -17.579 2.354 6.968 1.00 0.00 O ATOM 0 H GLY A 71 -13.623 0.708 6.857 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -16.244 0.535 5.876 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -15.679 0.041 7.459 1.00 0.00 H new ATOM 1161 N ALA A 72 -15.875 2.643 8.410 1.00 0.00 N ATOM 1162 CA ALA A 72 -16.505 3.761 9.100 1.00 0.00 C ATOM 1163 C ALA A 72 -16.563 4.995 8.206 1.00 0.00 C ATOM 1164 O ALA A 72 -17.570 5.703 8.172 1.00 0.00 O ATOM 1165 CB ALA A 72 -15.757 4.075 10.387 1.00 0.00 C ATOM 0 H ALA A 72 -14.957 2.386 8.774 1.00 0.00 H new ATOM 0 HA ALA A 72 -17.527 3.474 9.347 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -16.238 4.912 10.893 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -15.771 3.201 11.038 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -14.725 4.337 10.153 1.00 0.00 H new ATOM 1171 N LEU A 73 -15.477 5.247 7.484 1.00 0.00 N ATOM 1172 CA LEU A 73 -15.403 6.397 6.588 1.00 0.00 C ATOM 1173 C LEU A 73 -16.447 6.292 5.481 1.00 0.00 C ATOM 1174 O LEU A 73 -17.075 7.284 5.112 1.00 0.00 O ATOM 1175 CB LEU A 73 -14.005 6.505 5.979 1.00 0.00 C ATOM 1176 CG LEU A 73 -13.580 7.900 5.517 1.00 0.00 C ATOM 1177 CD1 LEU A 73 -14.446 8.365 4.356 1.00 0.00 C ATOM 1178 CD2 LEU A 73 -13.655 8.889 6.670 1.00 0.00 C ATOM 0 H LEU A 73 -14.635 4.671 7.501 1.00 0.00 H new ATOM 0 HA LEU A 73 -15.608 7.295 7.171 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -13.282 6.152 6.714 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -13.949 5.829 5.126 1.00 0.00 H new ATOM 0 HG LEU A 73 -12.546 7.849 5.175 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -14.129 9.359 4.041 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -14.342 7.670 3.523 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -15.489 8.400 4.671 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -13.349 9.876 6.323 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -14.678 8.936 7.043 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -12.991 8.564 7.472 1.00 0.00 H new ATOM 1190 N GLU A 74 -16.628 5.084 4.957 1.00 0.00 N ATOM 1191 CA GLU A 74 -17.597 4.851 3.893 1.00 0.00 C ATOM 1192 C GLU A 74 -19.024 4.988 4.416 1.00 0.00 C ATOM 1193 O GLU A 74 -19.845 5.694 3.832 1.00 0.00 O ATOM 1194 CB GLU A 74 -17.396 3.460 3.286 1.00 0.00 C ATOM 1195 CG GLU A 74 -16.225 3.381 2.322 1.00 0.00 C ATOM 1196 CD GLU A 74 -16.574 3.884 0.935 1.00 0.00 C ATOM 1197 OE1 GLU A 74 -17.770 4.133 0.678 1.00 0.00 O ATOM 1198 OE2 GLU A 74 -15.650 4.033 0.108 1.00 0.00 O ATOM 0 H GLU A 74 -16.117 4.252 5.252 1.00 0.00 H new ATOM 0 HA GLU A 74 -17.438 5.604 3.121 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -17.243 2.740 4.090 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -18.306 3.166 2.764 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -15.394 3.965 2.717 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -15.884 2.348 2.254 1.00 0.00 H new ATOM 1205 N ARG A 75 -19.311 4.307 5.520 1.00 0.00 N ATOM 1206 CA ARG A 75 -20.638 4.350 6.123 1.00 0.00 C ATOM 1207 C ARG A 75 -20.963 5.757 6.618 1.00 0.00 C ATOM 1208 O ARG A 75 -22.130 6.139 6.704 1.00 0.00 O ATOM 1209 CB ARG A 75 -20.728 3.356 7.281 1.00 0.00 C ATOM 1210 CG ARG A 75 -22.153 3.071 7.729 1.00 0.00 C ATOM 1211 CD ARG A 75 -22.874 2.161 6.747 1.00 0.00 C ATOM 1212 NE ARG A 75 -23.967 1.428 7.380 1.00 0.00 N ATOM 1213 CZ ARG A 75 -24.500 0.322 6.874 1.00 0.00 C ATOM 1214 NH1 ARG A 75 -24.042 -0.177 5.735 1.00 0.00 N ATOM 1215 NH2 ARG A 75 -25.493 -0.288 7.509 1.00 0.00 N ATOM 0 H ARG A 75 -18.642 3.718 6.016 1.00 0.00 H new ATOM 0 HA ARG A 75 -21.366 4.074 5.360 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -20.256 2.420 6.983 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -20.161 3.744 8.127 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -22.140 2.606 8.715 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -22.700 4.009 7.826 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -23.267 2.756 5.923 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -22.163 1.454 6.319 1.00 0.00 H new ATOM 0 HE ARG A 75 -24.342 1.785 8.259 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -23.278 0.289 5.245 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -24.453 -1.027 5.349 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -25.847 0.093 8.386 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -25.902 -1.137 7.120 1.00 0.00 H new ATOM 1229 N GLU A 76 -19.924 6.520 6.942 1.00 0.00 N ATOM 1230 CA GLU A 76 -20.101 7.882 7.430 1.00 0.00 C ATOM 1231 C GLU A 76 -20.452 8.829 6.285 1.00 0.00 C ATOM 1232 O GLU A 76 -21.457 9.539 6.336 1.00 0.00 O ATOM 1233 CB GLU A 76 -18.832 8.365 8.135 1.00 0.00 C ATOM 1234 CG GLU A 76 -18.759 7.964 9.599 1.00 0.00 C ATOM 1235 CD GLU A 76 -19.672 8.795 10.478 1.00 0.00 C ATOM 1236 OE1 GLU A 76 -19.758 10.020 10.251 1.00 0.00 O ATOM 1237 OE2 GLU A 76 -20.299 8.221 11.392 1.00 0.00 O ATOM 0 H GLU A 76 -18.952 6.218 6.875 1.00 0.00 H new ATOM 0 HA GLU A 76 -20.925 7.880 8.143 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -17.962 7.965 7.614 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -18.776 9.451 8.061 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -19.026 6.912 9.697 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -17.732 8.067 9.949 1.00 0.00 H new ATOM 1244 N LEU A 77 -19.615 8.834 5.253 1.00 0.00 N ATOM 1245 CA LEU A 77 -19.834 9.693 4.094 1.00 0.00 C ATOM 1246 C LEU A 77 -21.109 9.298 3.357 1.00 0.00 C ATOM 1247 O LEU A 77 -21.759 10.132 2.726 1.00 0.00 O ATOM 1248 CB LEU A 77 -18.637 9.618 3.145 1.00 0.00 C ATOM 1249 CG LEU A 77 -18.308 8.231 2.589 1.00 0.00 C ATOM 1250 CD1 LEU A 77 -19.180 7.919 1.383 1.00 0.00 C ATOM 1251 CD2 LEU A 77 -16.834 8.140 2.222 1.00 0.00 C ATOM 0 H LEU A 77 -18.779 8.253 5.195 1.00 0.00 H new ATOM 0 HA LEU A 77 -19.944 10.718 4.448 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -18.821 10.290 2.306 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -17.759 9.995 3.669 1.00 0.00 H new ATOM 0 HG LEU A 77 -18.516 7.492 3.362 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -18.932 6.929 1.001 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -20.229 7.942 1.677 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -19.005 8.662 0.605 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -16.618 7.147 1.828 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -16.601 8.889 1.465 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -16.226 8.319 3.109 1.00 0.00 H new ATOM 1263 N LYS A 78 -21.463 8.019 3.439 1.00 0.00 N ATOM 1264 CA LYS A 78 -22.662 7.512 2.784 1.00 0.00 C ATOM 1265 C LYS A 78 -23.914 8.165 3.358 1.00 0.00 C ATOM 1266 O LYS A 78 -24.989 8.100 2.762 1.00 0.00 O ATOM 1267 CB LYS A 78 -22.749 5.992 2.939 1.00 0.00 C ATOM 1268 CG LYS A 78 -22.283 5.227 1.712 1.00 0.00 C ATOM 1269 CD LYS A 78 -23.384 5.123 0.669 1.00 0.00 C ATOM 1270 CE LYS A 78 -22.825 4.744 -0.694 1.00 0.00 C ATOM 1271 NZ LYS A 78 -21.964 3.531 -0.623 1.00 0.00 N ATOM 0 H LYS A 78 -20.935 7.314 3.954 1.00 0.00 H new ATOM 0 HA LYS A 78 -22.599 7.760 1.724 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -22.148 5.688 3.796 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -23.780 5.716 3.159 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -21.416 5.725 1.279 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -21.962 4.227 2.005 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -24.116 4.379 0.983 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -23.909 6.075 0.596 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -23.647 4.566 -1.387 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -22.247 5.577 -1.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -21.741 3.207 -1.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -21.082 3.760 -0.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -22.467 2.778 -0.112 1.00 0.00 H new ATOM 1285 N ARG A 79 -23.768 8.795 4.519 1.00 0.00 N ATOM 1286 CA ARG A 79 -24.887 9.460 5.175 1.00 0.00 C ATOM 1287 C ARG A 79 -25.600 10.403 4.208 1.00 0.00 C ATOM 1288 O ARG A 79 -26.823 10.363 4.073 1.00 0.00 O ATOM 1289 CB ARG A 79 -24.402 10.238 6.398 1.00 0.00 C ATOM 1290 CG ARG A 79 -25.520 10.913 7.175 1.00 0.00 C ATOM 1291 CD ARG A 79 -26.171 9.955 8.161 1.00 0.00 C ATOM 1292 NE ARG A 79 -26.906 10.660 9.206 1.00 0.00 N ATOM 1293 CZ ARG A 79 -28.056 11.293 8.996 1.00 0.00 C ATOM 1294 NH1 ARG A 79 -28.597 11.307 7.786 1.00 0.00 N ATOM 1295 NH2 ARG A 79 -28.665 11.912 9.999 1.00 0.00 N ATOM 0 H ARG A 79 -22.885 8.859 5.025 1.00 0.00 H new ATOM 0 HA ARG A 79 -25.593 8.695 5.498 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -23.869 9.558 7.062 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -23.687 10.995 6.076 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -25.123 11.775 7.712 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -26.272 11.289 6.481 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -26.850 9.290 7.626 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -25.405 9.328 8.617 1.00 0.00 H new ATOM 0 HE ARG A 79 -26.516 10.668 10.149 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -28.131 10.831 7.013 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -29.479 11.793 7.627 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -28.251 11.902 10.931 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -29.547 12.398 9.838 1.00 0.00 H new ATOM 1309 N THR A 80 -24.826 11.252 3.539 1.00 0.00 N ATOM 1310 CA THR A 80 -25.382 12.207 2.588 1.00 0.00 C ATOM 1311 C THR A 80 -24.562 12.243 1.303 1.00 0.00 C ATOM 1312 O THR A 80 -23.367 11.947 1.309 1.00 0.00 O ATOM 1313 CB THR A 80 -25.441 13.625 3.186 1.00 0.00 C ATOM 1314 OG1 THR A 80 -24.305 13.850 4.028 1.00 0.00 O ATOM 1315 CG2 THR A 80 -26.720 13.821 3.987 1.00 0.00 C ATOM 0 H THR A 80 -23.812 11.298 3.638 1.00 0.00 H new ATOM 0 HA THR A 80 -26.395 11.874 2.361 1.00 0.00 H new ATOM 0 HB THR A 80 -25.431 14.342 2.365 1.00 0.00 H new ATOM 0 HG1 THR A 80 -24.350 14.754 4.403 1.00 0.00 H new ATOM 0 HG21 THR A 80 -26.740 14.830 4.400 1.00 0.00 H new ATOM 0 HG22 THR A 80 -27.582 13.678 3.336 1.00 0.00 H new ATOM 0 HG23 THR A 80 -26.755 13.096 4.800 1.00 0.00 H new ATOM 1323 N ASP A 81 -25.211 12.607 0.203 1.00 0.00 N ATOM 1324 CA ASP A 81 -24.542 12.683 -1.090 1.00 0.00 C ATOM 1325 C ASP A 81 -25.421 13.392 -2.115 1.00 0.00 C ATOM 1326 O ASP A 81 -25.535 12.952 -3.260 1.00 0.00 O ATOM 1327 CB ASP A 81 -24.185 11.281 -1.587 1.00 0.00 C ATOM 1328 CG ASP A 81 -25.409 10.476 -1.975 1.00 0.00 C ATOM 1329 OD1 ASP A 81 -26.387 10.469 -1.197 1.00 0.00 O ATOM 1330 OD2 ASP A 81 -25.391 9.852 -3.057 1.00 0.00 O ATOM 0 H ASP A 81 -26.200 12.854 0.181 1.00 0.00 H new ATOM 0 HA ASP A 81 -23.625 13.259 -0.964 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -23.519 11.362 -2.446 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -23.637 10.751 -0.808 1.00 0.00 H new ATOM 1335 N LEU A 82 -26.041 14.490 -1.698 1.00 0.00 N ATOM 1336 CA LEU A 82 -26.911 15.259 -2.580 1.00 0.00 C ATOM 1337 C LEU A 82 -26.157 16.431 -3.202 1.00 0.00 C ATOM 1338 O LEU A 82 -26.242 17.561 -2.723 1.00 0.00 O ATOM 1339 CB LEU A 82 -28.127 15.774 -1.808 1.00 0.00 C ATOM 1340 CG LEU A 82 -29.416 15.933 -2.614 1.00 0.00 C ATOM 1341 CD1 LEU A 82 -30.622 15.986 -1.688 1.00 0.00 C ATOM 1342 CD2 LEU A 82 -29.353 17.180 -3.482 1.00 0.00 C ATOM 0 H LEU A 82 -25.957 14.868 -0.754 1.00 0.00 H new ATOM 0 HA LEU A 82 -27.248 14.601 -3.381 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -28.322 15.092 -0.980 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -27.873 16.740 -1.372 1.00 0.00 H new ATOM 0 HG LEU A 82 -29.522 15.066 -3.266 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -31.530 16.099 -2.280 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -30.678 15.063 -1.110 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -30.523 16.833 -1.010 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -30.279 17.276 -4.048 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -29.222 18.058 -2.849 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -28.513 17.101 -4.172 1.00 0.00 H new ATOM 1354 N ASN A 83 -25.421 16.152 -4.273 1.00 0.00 N ATOM 1355 CA ASN A 83 -24.654 17.183 -4.962 1.00 0.00 C ATOM 1356 C ASN A 83 -23.904 16.597 -6.156 1.00 0.00 C ATOM 1357 O ASN A 83 -23.502 15.434 -6.138 1.00 0.00 O ATOM 1358 CB ASN A 83 -23.665 17.843 -3.998 1.00 0.00 C ATOM 1359 CG ASN A 83 -23.985 19.304 -3.751 1.00 0.00 C ATOM 1360 OD1 ASN A 83 -24.204 19.719 -2.613 1.00 0.00 O ATOM 1361 ND2 ASN A 83 -24.014 20.091 -4.820 1.00 0.00 N ATOM 0 H ASN A 83 -25.340 15.221 -4.682 1.00 0.00 H new ATOM 0 HA ASN A 83 -25.352 17.936 -5.328 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -23.674 17.307 -3.049 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -22.656 17.758 -4.402 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -24.224 21.084 -4.717 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -23.826 19.703 -5.744 1.00 0.00 H new ATOM 1368 N ILE A 84 -23.721 17.412 -7.190 1.00 0.00 N ATOM 1369 CA ILE A 84 -23.019 16.975 -8.391 1.00 0.00 C ATOM 1370 C ILE A 84 -21.585 16.566 -8.070 1.00 0.00 C ATOM 1371 O ILE A 84 -21.174 15.438 -8.344 1.00 0.00 O ATOM 1372 CB ILE A 84 -23.000 18.079 -9.464 1.00 0.00 C ATOM 1373 CG1 ILE A 84 -24.425 18.531 -9.787 1.00 0.00 C ATOM 1374 CG2 ILE A 84 -22.297 17.583 -10.720 1.00 0.00 C ATOM 1375 CD1 ILE A 84 -25.291 17.435 -10.366 1.00 0.00 C ATOM 0 H ILE A 84 -24.049 18.377 -7.220 1.00 0.00 H new ATOM 0 HA ILE A 84 -23.561 16.113 -8.779 1.00 0.00 H new ATOM 0 HB ILE A 84 -22.448 18.935 -9.076 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -24.892 18.910 -8.878 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -24.383 19.361 -10.493 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -22.291 18.374 -11.470 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -21.271 17.305 -10.477 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -22.825 16.714 -11.113 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -26.287 17.828 -10.570 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -24.847 17.072 -11.293 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -25.364 16.614 -9.653 1.00 0.00 H new ATOM 1387 N LEU A 85 -20.828 17.490 -7.488 1.00 0.00 N ATOM 1388 CA LEU A 85 -19.439 17.226 -7.128 1.00 0.00 C ATOM 1389 C LEU A 85 -19.343 16.066 -6.143 1.00 0.00 C ATOM 1390 O LEU A 85 -18.579 15.124 -6.352 1.00 0.00 O ATOM 1391 CB LEU A 85 -18.802 18.478 -6.523 1.00 0.00 C ATOM 1392 CG LEU A 85 -17.463 18.273 -5.815 1.00 0.00 C ATOM 1393 CD1 LEU A 85 -16.391 17.857 -6.810 1.00 0.00 C ATOM 1394 CD2 LEU A 85 -17.048 19.542 -5.082 1.00 0.00 C ATOM 0 H LEU A 85 -21.153 18.429 -7.255 1.00 0.00 H new ATOM 0 HA LEU A 85 -18.900 16.953 -8.035 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -18.662 19.210 -7.318 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -19.504 18.911 -5.811 1.00 0.00 H new ATOM 0 HG LEU A 85 -17.580 17.474 -5.082 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -15.445 17.716 -6.288 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -16.683 16.923 -7.290 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -16.275 18.633 -7.566 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -16.093 19.378 -4.584 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -16.949 20.359 -5.797 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -17.805 19.798 -4.341 1.00 0.00 H new ATOM 1406 N GLU A 86 -20.125 16.140 -5.071 1.00 0.00 N ATOM 1407 CA GLU A 86 -20.129 15.093 -4.055 1.00 0.00 C ATOM 1408 C GLU A 86 -20.451 13.736 -4.672 1.00 0.00 C ATOM 1409 O GLU A 86 -19.877 12.716 -4.289 1.00 0.00 O ATOM 1410 CB GLU A 86 -21.143 15.421 -2.958 1.00 0.00 C ATOM 1411 CG GLU A 86 -20.817 16.688 -2.185 1.00 0.00 C ATOM 1412 CD GLU A 86 -21.494 16.734 -0.828 1.00 0.00 C ATOM 1413 OE1 GLU A 86 -22.130 15.730 -0.449 1.00 0.00 O ATOM 1414 OE2 GLU A 86 -21.386 17.775 -0.146 1.00 0.00 O ATOM 0 H GLU A 86 -20.763 16.913 -4.883 1.00 0.00 H new ATOM 0 HA GLU A 86 -19.132 15.045 -3.616 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -22.131 15.524 -3.407 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -21.195 14.584 -2.262 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -19.738 16.760 -2.051 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -21.124 17.555 -2.770 1.00 0.00 H new ATOM 1421 N ARG A 87 -21.372 13.732 -5.630 1.00 0.00 N ATOM 1422 CA ARG A 87 -21.773 12.500 -6.300 1.00 0.00 C ATOM 1423 C ARG A 87 -20.609 11.909 -7.090 1.00 0.00 C ATOM 1424 O ARG A 87 -20.337 10.710 -7.013 1.00 0.00 O ATOM 1425 CB ARG A 87 -22.956 12.763 -7.233 1.00 0.00 C ATOM 1426 CG ARG A 87 -23.380 11.545 -8.036 1.00 0.00 C ATOM 1427 CD ARG A 87 -23.976 10.468 -7.143 1.00 0.00 C ATOM 1428 NE ARG A 87 -25.414 10.643 -6.959 1.00 0.00 N ATOM 1429 CZ ARG A 87 -26.224 9.679 -6.535 1.00 0.00 C ATOM 1430 NH1 ARG A 87 -25.738 8.478 -6.253 1.00 0.00 N ATOM 1431 NH2 ARG A 87 -27.521 9.915 -6.392 1.00 0.00 N ATOM 0 H ARG A 87 -21.855 14.568 -5.960 1.00 0.00 H new ATOM 0 HA ARG A 87 -22.075 11.782 -5.537 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -23.803 13.111 -6.642 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -22.694 13.568 -7.920 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -24.111 11.841 -8.789 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -22.519 11.142 -8.569 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -23.783 9.488 -7.579 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -23.481 10.488 -6.172 1.00 0.00 H new ATOM 0 HE ARG A 87 -25.819 11.556 -7.167 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -24.741 8.293 -6.361 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -26.361 7.739 -5.928 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -27.898 10.838 -6.608 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -28.141 9.174 -6.066 1.00 0.00 H new ATOM 1445 N PHE A 88 -19.926 12.757 -7.852 1.00 0.00 N ATOM 1446 CA PHE A 88 -18.794 12.318 -8.659 1.00 0.00 C ATOM 1447 C PHE A 88 -17.704 11.709 -7.781 1.00 0.00 C ATOM 1448 O PHE A 88 -17.290 10.569 -7.989 1.00 0.00 O ATOM 1449 CB PHE A 88 -18.223 13.493 -9.457 1.00 0.00 C ATOM 1450 CG PHE A 88 -16.940 13.167 -10.168 1.00 0.00 C ATOM 1451 CD1 PHE A 88 -16.822 12.010 -10.919 1.00 0.00 C ATOM 1452 CD2 PHE A 88 -15.850 14.020 -10.081 1.00 0.00 C ATOM 1453 CE1 PHE A 88 -15.643 11.709 -11.575 1.00 0.00 C ATOM 1454 CE2 PHE A 88 -14.669 13.725 -10.734 1.00 0.00 C ATOM 1455 CZ PHE A 88 -14.565 12.567 -11.480 1.00 0.00 C ATOM 0 H PHE A 88 -20.137 13.752 -7.927 1.00 0.00 H new ATOM 0 HA PHE A 88 -19.148 11.554 -9.352 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -18.962 13.818 -10.189 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -18.052 14.332 -8.782 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -17.661 11.334 -10.993 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -15.925 14.925 -9.496 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -15.565 10.805 -12.161 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -13.828 14.399 -10.661 1.00 0.00 H new ATOM 0 HZ PHE A 88 -13.641 12.333 -11.989 1.00 0.00 H new ATOM 1465 N ASN A 89 -17.244 12.479 -6.800 1.00 0.00 N ATOM 1466 CA ASN A 89 -16.202 12.017 -5.890 1.00 0.00 C ATOM 1467 C ASN A 89 -16.629 10.736 -5.178 1.00 0.00 C ATOM 1468 O ASN A 89 -15.826 9.824 -4.983 1.00 0.00 O ATOM 1469 CB ASN A 89 -15.875 13.101 -4.862 1.00 0.00 C ATOM 1470 CG ASN A 89 -15.470 14.410 -5.511 1.00 0.00 C ATOM 1471 OD1 ASN A 89 -15.357 14.502 -6.733 1.00 0.00 O ATOM 1472 ND2 ASN A 89 -15.248 15.433 -4.692 1.00 0.00 N ATOM 0 H ASN A 89 -17.576 13.425 -6.615 1.00 0.00 H new ATOM 0 HA ASN A 89 -15.310 11.804 -6.479 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -16.744 13.268 -4.225 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -15.068 12.754 -4.216 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -14.972 16.339 -5.071 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -15.354 15.312 -3.685 1.00 0.00 H new ATOM 1479 N TYR A 90 -17.900 10.677 -4.793 1.00 0.00 N ATOM 1480 CA TYR A 90 -18.434 9.510 -4.100 1.00 0.00 C ATOM 1481 C TYR A 90 -18.386 8.277 -4.997 1.00 0.00 C ATOM 1482 O TYR A 90 -17.942 7.208 -4.576 1.00 0.00 O ATOM 1483 CB TYR A 90 -19.873 9.773 -3.651 1.00 0.00 C ATOM 1484 CG TYR A 90 -19.976 10.345 -2.256 1.00 0.00 C ATOM 1485 CD1 TYR A 90 -18.993 11.190 -1.755 1.00 0.00 C ATOM 1486 CD2 TYR A 90 -21.057 10.041 -1.438 1.00 0.00 C ATOM 1487 CE1 TYR A 90 -19.083 11.714 -0.481 1.00 0.00 C ATOM 1488 CE2 TYR A 90 -21.157 10.563 -0.162 1.00 0.00 C ATOM 1489 CZ TYR A 90 -20.167 11.398 0.313 1.00 0.00 C ATOM 1490 OH TYR A 90 -20.261 11.919 1.582 1.00 0.00 O ATOM 0 H TYR A 90 -18.578 11.423 -4.949 1.00 0.00 H new ATOM 0 HA TYR A 90 -17.815 9.323 -3.222 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -20.344 10.462 -4.353 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -20.435 8.840 -3.695 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -18.144 11.441 -2.373 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -21.833 9.385 -1.805 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -18.309 12.368 -0.107 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -22.006 10.318 0.460 1.00 0.00 H new ATOM 0 HH TYR A 90 -21.076 11.586 2.013 1.00 0.00 H new ATOM 1500 N GLU A 91 -18.846 8.433 -6.234 1.00 0.00 N ATOM 1501 CA GLU A 91 -18.856 7.331 -7.189 1.00 0.00 C ATOM 1502 C GLU A 91 -17.451 6.770 -7.386 1.00 0.00 C ATOM 1503 O GLU A 91 -17.225 5.571 -7.226 1.00 0.00 O ATOM 1504 CB GLU A 91 -19.424 7.797 -8.532 1.00 0.00 C ATOM 1505 CG GLU A 91 -20.089 6.687 -9.329 1.00 0.00 C ATOM 1506 CD GLU A 91 -19.091 5.843 -10.097 1.00 0.00 C ATOM 1507 OE1 GLU A 91 -18.063 6.396 -10.539 1.00 0.00 O ATOM 1508 OE2 GLU A 91 -19.339 4.630 -10.258 1.00 0.00 O ATOM 0 H GLU A 91 -19.216 9.311 -6.598 1.00 0.00 H new ATOM 0 HA GLU A 91 -19.491 6.541 -6.788 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -20.150 8.590 -8.354 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -18.619 8.229 -9.127 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -20.655 6.047 -8.652 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -20.803 7.124 -10.027 1.00 0.00 H new ATOM 1515 N GLU A 92 -16.514 7.644 -7.735 1.00 0.00 N ATOM 1516 CA GLU A 92 -15.131 7.234 -7.955 1.00 0.00 C ATOM 1517 C GLU A 92 -14.523 6.666 -6.676 1.00 0.00 C ATOM 1518 O GLU A 92 -13.913 5.597 -6.688 1.00 0.00 O ATOM 1519 CB GLU A 92 -14.297 8.419 -8.448 1.00 0.00 C ATOM 1520 CG GLU A 92 -12.970 8.013 -9.066 1.00 0.00 C ATOM 1521 CD GLU A 92 -12.065 9.200 -9.334 1.00 0.00 C ATOM 1522 OE1 GLU A 92 -12.483 10.342 -9.050 1.00 0.00 O ATOM 1523 OE2 GLU A 92 -10.937 8.987 -9.827 1.00 0.00 O ATOM 0 H GLU A 92 -16.686 8.640 -7.872 1.00 0.00 H new ATOM 0 HA GLU A 92 -15.126 6.454 -8.717 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -14.875 8.978 -9.184 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -14.108 9.093 -7.612 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -12.461 7.316 -8.400 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -13.155 7.484 -10.001 1.00 0.00 H new ATOM 1530 N ALA A 93 -14.692 7.390 -5.575 1.00 0.00 N ATOM 1531 CA ALA A 93 -14.161 6.958 -4.288 1.00 0.00 C ATOM 1532 C ALA A 93 -14.576 5.525 -3.976 1.00 0.00 C ATOM 1533 O ALA A 93 -13.746 4.695 -3.605 1.00 0.00 O ATOM 1534 CB ALA A 93 -14.625 7.897 -3.184 1.00 0.00 C ATOM 0 H ALA A 93 -15.192 8.278 -5.548 1.00 0.00 H new ATOM 0 HA ALA A 93 -13.073 6.989 -4.343 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -14.221 7.563 -2.228 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -14.273 8.907 -3.393 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -15.714 7.895 -3.138 1.00 0.00 H new ATOM 1540 N GLN A 94 -15.866 5.241 -4.125 1.00 0.00 N ATOM 1541 CA GLN A 94 -16.391 3.907 -3.858 1.00 0.00 C ATOM 1542 C GLN A 94 -15.848 2.897 -4.863 1.00 0.00 C ATOM 1543 O GLN A 94 -15.572 1.748 -4.517 1.00 0.00 O ATOM 1544 CB GLN A 94 -17.919 3.920 -3.903 1.00 0.00 C ATOM 1545 CG GLN A 94 -18.569 3.204 -2.730 1.00 0.00 C ATOM 1546 CD GLN A 94 -19.010 1.795 -3.077 1.00 0.00 C ATOM 1547 OE1 GLN A 94 -19.484 1.536 -4.184 1.00 0.00 O ATOM 1548 NE2 GLN A 94 -18.856 0.876 -2.132 1.00 0.00 N ATOM 0 H GLN A 94 -16.567 5.917 -4.429 1.00 0.00 H new ATOM 0 HA GLN A 94 -16.067 3.609 -2.861 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -18.265 4.954 -3.924 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -18.251 3.454 -4.831 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -17.866 3.166 -1.898 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -19.432 3.778 -2.392 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -18.459 1.135 -1.229 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -19.135 -0.089 -2.309 1.00 0.00 H new ATOM 1557 N THR A 95 -15.699 3.332 -6.110 1.00 0.00 N ATOM 1558 CA THR A 95 -15.191 2.465 -7.167 1.00 0.00 C ATOM 1559 C THR A 95 -13.813 1.918 -6.814 1.00 0.00 C ATOM 1560 O THR A 95 -13.584 0.708 -6.854 1.00 0.00 O ATOM 1561 CB THR A 95 -15.106 3.210 -8.512 1.00 0.00 C ATOM 1562 OG1 THR A 95 -16.403 3.683 -8.893 1.00 0.00 O ATOM 1563 CG2 THR A 95 -14.553 2.300 -9.599 1.00 0.00 C ATOM 0 H THR A 95 -15.923 4.280 -6.413 1.00 0.00 H new ATOM 0 HA THR A 95 -15.894 1.637 -7.262 1.00 0.00 H new ATOM 0 HB THR A 95 -14.432 4.058 -8.391 1.00 0.00 H new ATOM 0 HG1 THR A 95 -16.708 4.356 -8.249 1.00 0.00 H new ATOM 0 HG21 THR A 95 -14.502 2.847 -10.540 1.00 0.00 H new ATOM 0 HG22 THR A 95 -13.554 1.965 -9.319 1.00 0.00 H new ATOM 0 HG23 THR A 95 -15.206 1.435 -9.717 1.00 0.00 H new ATOM 1571 N LEU A 96 -12.897 2.815 -6.466 1.00 0.00 N ATOM 1572 CA LEU A 96 -11.539 2.421 -6.104 1.00 0.00 C ATOM 1573 C LEU A 96 -11.533 1.613 -4.812 1.00 0.00 C ATOM 1574 O LEU A 96 -10.857 0.588 -4.712 1.00 0.00 O ATOM 1575 CB LEU A 96 -10.652 3.659 -5.950 1.00 0.00 C ATOM 1576 CG LEU A 96 -10.382 4.455 -7.227 1.00 0.00 C ATOM 1577 CD1 LEU A 96 -9.589 5.713 -6.914 1.00 0.00 C ATOM 1578 CD2 LEU A 96 -9.645 3.597 -8.245 1.00 0.00 C ATOM 0 H LEU A 96 -13.069 3.820 -6.427 1.00 0.00 H new ATOM 0 HA LEU A 96 -11.143 1.795 -6.904 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -11.115 4.325 -5.222 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -9.695 3.346 -5.532 1.00 0.00 H new ATOM 0 HG LEU A 96 -11.339 4.751 -7.657 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -9.406 6.267 -7.835 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -10.155 6.337 -6.222 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -8.636 5.439 -6.460 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -9.461 4.180 -9.147 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -8.694 3.270 -7.825 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -10.251 2.726 -8.493 1.00 0.00 H new ATOM 1590 N SER A 97 -12.290 2.078 -3.824 1.00 0.00 N ATOM 1591 CA SER A 97 -12.371 1.398 -2.537 1.00 0.00 C ATOM 1592 C SER A 97 -12.877 -0.030 -2.707 1.00 0.00 C ATOM 1593 O SER A 97 -12.367 -0.961 -2.085 1.00 0.00 O ATOM 1594 CB SER A 97 -13.292 2.168 -1.587 1.00 0.00 C ATOM 1595 OG SER A 97 -14.089 1.282 -0.821 1.00 0.00 O ATOM 0 H SER A 97 -12.857 2.924 -3.890 1.00 0.00 H new ATOM 0 HA SER A 97 -11.369 1.361 -2.110 1.00 0.00 H new ATOM 0 HB2 SER A 97 -12.695 2.792 -0.922 1.00 0.00 H new ATOM 0 HB3 SER A 97 -13.934 2.837 -2.160 1.00 0.00 H new ATOM 0 HG SER A 97 -14.548 1.783 -0.114 1.00 0.00 H new ATOM 1601 N LYS A 98 -13.887 -0.196 -3.555 1.00 0.00 N ATOM 1602 CA LYS A 98 -14.464 -1.511 -3.811 1.00 0.00 C ATOM 1603 C LYS A 98 -13.447 -2.430 -4.480 1.00 0.00 C ATOM 1604 O LYS A 98 -13.232 -3.559 -4.036 1.00 0.00 O ATOM 1605 CB LYS A 98 -15.708 -1.381 -4.693 1.00 0.00 C ATOM 1606 CG LYS A 98 -16.971 -1.047 -3.918 1.00 0.00 C ATOM 1607 CD LYS A 98 -18.219 -1.332 -4.736 1.00 0.00 C ATOM 1608 CE LYS A 98 -18.255 -0.495 -6.006 1.00 0.00 C ATOM 1609 NZ LYS A 98 -19.651 -0.227 -6.455 1.00 0.00 N ATOM 0 H LYS A 98 -14.323 0.564 -4.077 1.00 0.00 H new ATOM 0 HA LYS A 98 -14.748 -1.949 -2.854 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -15.534 -0.606 -5.440 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -15.860 -2.316 -5.233 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -16.998 -1.629 -2.997 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -16.955 0.004 -3.631 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -18.252 -2.390 -4.995 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -19.105 -1.123 -4.136 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -17.742 0.451 -5.832 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -17.712 -1.012 -6.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -19.638 0.149 -7.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -20.198 -1.111 -6.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -20.092 0.469 -5.820 1.00 0.00 H new ATOM 1623 N ILE A 99 -12.825 -1.941 -5.547 1.00 0.00 N ATOM 1624 CA ILE A 99 -11.829 -2.719 -6.273 1.00 0.00 C ATOM 1625 C ILE A 99 -10.701 -3.167 -5.351 1.00 0.00 C ATOM 1626 O ILE A 99 -10.310 -4.335 -5.354 1.00 0.00 O ATOM 1627 CB ILE A 99 -11.232 -1.916 -7.444 1.00 0.00 C ATOM 1628 CG1 ILE A 99 -12.333 -1.507 -8.426 1.00 0.00 C ATOM 1629 CG2 ILE A 99 -10.159 -2.729 -8.152 1.00 0.00 C ATOM 1630 CD1 ILE A 99 -12.005 -0.258 -9.215 1.00 0.00 C ATOM 0 H ILE A 99 -12.993 -1.010 -5.928 1.00 0.00 H new ATOM 0 HA ILE A 99 -12.341 -3.596 -6.668 1.00 0.00 H new ATOM 0 HB ILE A 99 -10.772 -1.011 -7.046 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -12.514 -2.328 -9.120 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -13.259 -1.346 -7.874 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -9.747 -2.148 -8.977 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -9.364 -2.974 -7.448 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -10.596 -3.649 -8.539 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -12.829 -0.027 -9.890 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -11.853 0.576 -8.530 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -11.096 -0.422 -9.794 1.00 0.00 H new ATOM 1642 N LEU A 100 -10.183 -2.232 -4.562 1.00 0.00 N ATOM 1643 CA LEU A 100 -9.101 -2.531 -3.631 1.00 0.00 C ATOM 1644 C LEU A 100 -9.524 -3.600 -2.628 1.00 0.00 C ATOM 1645 O LEU A 100 -8.800 -4.568 -2.394 1.00 0.00 O ATOM 1646 CB LEU A 100 -8.671 -1.262 -2.893 1.00 0.00 C ATOM 1647 CG LEU A 100 -7.902 -1.472 -1.589 1.00 0.00 C ATOM 1648 CD1 LEU A 100 -6.603 -2.219 -1.849 1.00 0.00 C ATOM 1649 CD2 LEU A 100 -7.625 -0.139 -0.911 1.00 0.00 C ATOM 0 H LEU A 100 -10.495 -1.261 -4.549 1.00 0.00 H new ATOM 0 HA LEU A 100 -8.257 -2.913 -4.205 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -8.052 -0.667 -3.565 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -9.562 -0.673 -2.675 1.00 0.00 H new ATOM 0 HG LEU A 100 -8.517 -2.075 -0.921 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -6.069 -2.359 -0.909 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -6.824 -3.191 -2.289 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -5.983 -1.643 -2.536 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -7.077 -0.309 0.016 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -7.031 0.490 -1.574 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -8.569 0.359 -0.688 1.00 0.00 H new ATOM 1661 N LEU A 101 -10.700 -3.416 -2.039 1.00 0.00 N ATOM 1662 CA LEU A 101 -11.222 -4.366 -1.061 1.00 0.00 C ATOM 1663 C LEU A 101 -11.259 -5.778 -1.639 1.00 0.00 C ATOM 1664 O LEU A 101 -10.837 -6.736 -0.991 1.00 0.00 O ATOM 1665 CB LEU A 101 -12.624 -3.949 -0.614 1.00 0.00 C ATOM 1666 CG LEU A 101 -12.764 -3.526 0.849 1.00 0.00 C ATOM 1667 CD1 LEU A 101 -12.525 -4.711 1.772 1.00 0.00 C ATOM 1668 CD2 LEU A 101 -11.801 -2.393 1.171 1.00 0.00 C ATOM 0 H LEU A 101 -11.310 -2.619 -2.221 1.00 0.00 H new ATOM 0 HA LEU A 101 -10.556 -4.364 -0.198 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -12.953 -3.122 -1.243 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -13.305 -4.780 -0.798 1.00 0.00 H new ATOM 0 HG LEU A 101 -13.781 -3.167 1.008 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -12.629 -4.391 2.809 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -13.255 -5.492 1.558 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -11.520 -5.100 1.611 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -11.915 -2.105 2.216 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -10.778 -2.724 0.995 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -12.020 -1.537 0.533 1.00 0.00 H new ATOM 1680 N LYS A 102 -11.763 -5.898 -2.861 1.00 0.00 N ATOM 1681 CA LYS A 102 -11.853 -7.191 -3.529 1.00 0.00 C ATOM 1682 C LYS A 102 -10.470 -7.816 -3.691 1.00 0.00 C ATOM 1683 O LYS A 102 -10.244 -8.957 -3.286 1.00 0.00 O ATOM 1684 CB LYS A 102 -12.518 -7.036 -4.899 1.00 0.00 C ATOM 1685 CG LYS A 102 -12.730 -8.353 -5.624 1.00 0.00 C ATOM 1686 CD LYS A 102 -12.503 -8.210 -7.120 1.00 0.00 C ATOM 1687 CE LYS A 102 -13.499 -7.247 -7.745 1.00 0.00 C ATOM 1688 NZ LYS A 102 -13.970 -7.721 -9.076 1.00 0.00 N ATOM 0 H LYS A 102 -12.116 -5.115 -3.411 1.00 0.00 H new ATOM 0 HA LYS A 102 -12.461 -7.851 -2.910 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -13.481 -6.541 -4.772 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -11.904 -6.384 -5.520 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -12.050 -9.104 -5.222 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -13.743 -8.711 -5.442 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -11.489 -7.855 -7.303 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -12.590 -9.186 -7.597 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -14.354 -7.126 -7.079 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -13.037 -6.266 -7.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -14.648 -7.037 -9.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -13.158 -7.812 -9.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -14.434 -8.646 -8.971 1.00 0.00 H new ATOM 1702 N ASP A 103 -9.551 -7.062 -4.283 1.00 0.00 N ATOM 1703 CA ASP A 103 -8.190 -7.542 -4.495 1.00 0.00 C ATOM 1704 C ASP A 103 -7.568 -8.011 -3.184 1.00 0.00 C ATOM 1705 O ASP A 103 -6.958 -9.079 -3.120 1.00 0.00 O ATOM 1706 CB ASP A 103 -7.330 -6.441 -5.117 1.00 0.00 C ATOM 1707 CG ASP A 103 -7.332 -6.491 -6.632 1.00 0.00 C ATOM 1708 OD1 ASP A 103 -8.375 -6.162 -7.235 1.00 0.00 O ATOM 1709 OD2 ASP A 103 -6.291 -6.859 -7.216 1.00 0.00 O ATOM 0 H ASP A 103 -9.723 -6.116 -4.625 1.00 0.00 H new ATOM 0 HA ASP A 103 -8.233 -8.390 -5.179 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -7.696 -5.469 -4.788 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -6.306 -6.535 -4.755 1.00 0.00 H new ATOM 1714 N LEU A 104 -7.727 -7.205 -2.139 1.00 0.00 N ATOM 1715 CA LEU A 104 -7.179 -7.537 -0.828 1.00 0.00 C ATOM 1716 C LEU A 104 -7.725 -8.873 -0.332 1.00 0.00 C ATOM 1717 O LEU A 104 -6.969 -9.744 0.098 1.00 0.00 O ATOM 1718 CB LEU A 104 -7.509 -6.433 0.178 1.00 0.00 C ATOM 1719 CG LEU A 104 -6.525 -6.266 1.337 1.00 0.00 C ATOM 1720 CD1 LEU A 104 -5.143 -5.905 0.816 1.00 0.00 C ATOM 1721 CD2 LEU A 104 -7.024 -5.206 2.310 1.00 0.00 C ATOM 0 H LEU A 104 -8.230 -6.318 -2.174 1.00 0.00 H new ATOM 0 HA LEU A 104 -6.097 -7.621 -0.924 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -7.571 -5.486 -0.359 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -8.498 -6.630 0.592 1.00 0.00 H new ATOM 0 HG LEU A 104 -6.454 -7.215 1.868 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -4.456 -5.790 1.655 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -4.784 -6.697 0.159 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -5.197 -4.969 0.260 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -6.312 -5.100 3.129 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -7.124 -4.253 1.790 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -7.993 -5.505 2.709 1.00 0.00 H new ATOM 1733 N LYS A 105 -9.044 -9.027 -0.396 1.00 0.00 N ATOM 1734 CA LYS A 105 -9.692 -10.257 0.042 1.00 0.00 C ATOM 1735 C LYS A 105 -9.099 -11.469 -0.669 1.00 0.00 C ATOM 1736 O LYS A 105 -8.704 -12.443 -0.029 1.00 0.00 O ATOM 1737 CB LYS A 105 -11.198 -10.185 -0.220 1.00 0.00 C ATOM 1738 CG LYS A 105 -11.886 -9.036 0.497 1.00 0.00 C ATOM 1739 CD LYS A 105 -12.502 -9.486 1.810 1.00 0.00 C ATOM 1740 CE LYS A 105 -11.577 -9.207 2.984 1.00 0.00 C ATOM 1741 NZ LYS A 105 -11.841 -7.875 3.594 1.00 0.00 N ATOM 0 H LYS A 105 -9.684 -8.315 -0.747 1.00 0.00 H new ATOM 0 HA LYS A 105 -9.520 -10.367 1.113 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -11.367 -10.087 -1.292 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -11.658 -11.123 0.091 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -11.165 -8.241 0.686 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -12.661 -8.618 -0.145 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -13.451 -8.972 1.963 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -12.721 -10.553 1.764 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -11.704 -9.983 3.739 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -10.541 -9.254 2.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -10.998 -7.558 4.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -12.064 -7.188 2.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -12.646 -7.946 4.249 1.00 0.00 H new ATOM 1755 N GLU A 106 -9.038 -11.400 -1.995 1.00 0.00 N ATOM 1756 CA GLU A 106 -8.492 -12.492 -2.792 1.00 0.00 C ATOM 1757 C GLU A 106 -7.080 -12.847 -2.333 1.00 0.00 C ATOM 1758 O GLU A 106 -6.766 -14.015 -2.099 1.00 0.00 O ATOM 1759 CB GLU A 106 -8.477 -12.114 -4.274 1.00 0.00 C ATOM 1760 CG GLU A 106 -8.553 -13.310 -5.209 1.00 0.00 C ATOM 1761 CD GLU A 106 -9.915 -13.975 -5.197 1.00 0.00 C ATOM 1762 OE1 GLU A 106 -10.925 -13.253 -5.053 1.00 0.00 O ATOM 1763 OE2 GLU A 106 -9.973 -15.214 -5.331 1.00 0.00 O ATOM 0 H GLU A 106 -9.360 -10.600 -2.540 1.00 0.00 H new ATOM 0 HA GLU A 106 -9.132 -13.364 -2.653 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -9.316 -11.449 -4.479 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -7.567 -11.554 -4.488 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -8.319 -12.988 -6.224 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -7.795 -14.039 -4.923 1.00 0.00 H new ATOM 1770 N THR A 107 -6.232 -11.832 -2.207 1.00 0.00 N ATOM 1771 CA THR A 107 -4.854 -12.036 -1.777 1.00 0.00 C ATOM 1772 C THR A 107 -4.796 -12.802 -0.461 1.00 0.00 C ATOM 1773 O THR A 107 -4.112 -13.819 -0.355 1.00 0.00 O ATOM 1774 CB THR A 107 -4.113 -10.695 -1.612 1.00 0.00 C ATOM 1775 OG1 THR A 107 -4.186 -9.941 -2.827 1.00 0.00 O ATOM 1776 CG2 THR A 107 -2.656 -10.924 -1.239 1.00 0.00 C ATOM 0 H THR A 107 -6.475 -10.860 -2.397 1.00 0.00 H new ATOM 0 HA THR A 107 -4.363 -12.620 -2.555 1.00 0.00 H new ATOM 0 HB THR A 107 -4.594 -10.137 -0.809 1.00 0.00 H new ATOM 0 HG1 THR A 107 -3.355 -10.055 -3.333 1.00 0.00 H new ATOM 0 HG21 THR A 107 -2.153 -9.963 -1.128 1.00 0.00 H new ATOM 0 HG22 THR A 107 -2.603 -11.472 -0.298 1.00 0.00 H new ATOM 0 HG23 THR A 107 -2.166 -11.501 -2.023 1.00 0.00 H new ATOM 1784 N GLU A 108 -5.518 -12.306 0.540 1.00 0.00 N ATOM 1785 CA GLU A 108 -5.547 -12.946 1.849 1.00 0.00 C ATOM 1786 C GLU A 108 -5.929 -14.419 1.727 1.00 0.00 C ATOM 1787 O GLU A 108 -5.269 -15.290 2.295 1.00 0.00 O ATOM 1788 CB GLU A 108 -6.534 -12.227 2.771 1.00 0.00 C ATOM 1789 CG GLU A 108 -5.969 -10.966 3.403 1.00 0.00 C ATOM 1790 CD GLU A 108 -6.882 -10.387 4.466 1.00 0.00 C ATOM 1791 OE1 GLU A 108 -6.814 -10.851 5.623 1.00 0.00 O ATOM 1792 OE2 GLU A 108 -7.665 -9.470 4.142 1.00 0.00 O ATOM 0 H GLU A 108 -6.090 -11.464 0.469 1.00 0.00 H new ATOM 0 HA GLU A 108 -4.547 -12.882 2.278 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -7.428 -11.969 2.202 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -6.845 -12.911 3.561 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -4.998 -11.189 3.846 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -5.801 -10.219 2.627 1.00 0.00 H new ATOM 1799 N GLN A 109 -6.997 -14.687 0.984 1.00 0.00 N ATOM 1800 CA GLN A 109 -7.467 -16.054 0.789 1.00 0.00 C ATOM 1801 C GLN A 109 -6.347 -16.945 0.264 1.00 0.00 C ATOM 1802 O GLN A 109 -6.096 -18.026 0.799 1.00 0.00 O ATOM 1803 CB GLN A 109 -8.649 -16.075 -0.181 1.00 0.00 C ATOM 1804 CG GLN A 109 -9.683 -17.141 0.142 1.00 0.00 C ATOM 1805 CD GLN A 109 -9.900 -18.112 -1.002 1.00 0.00 C ATOM 1806 OE1 GLN A 109 -10.606 -17.809 -1.963 1.00 0.00 O ATOM 1807 NE2 GLN A 109 -9.289 -19.288 -0.905 1.00 0.00 N ATOM 0 H GLN A 109 -7.553 -13.977 0.507 1.00 0.00 H new ATOM 0 HA GLN A 109 -7.792 -16.441 1.755 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -9.132 -15.098 -0.173 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -8.276 -16.238 -1.192 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -9.365 -17.693 1.026 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -10.629 -16.660 0.389 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -8.713 -19.498 -0.090 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -9.396 -19.981 -1.646 1.00 0.00 H new ATOM 1816 N LYS A 110 -5.676 -16.486 -0.787 1.00 0.00 N ATOM 1817 CA LYS A 110 -4.581 -17.240 -1.386 1.00 0.00 C ATOM 1818 C LYS A 110 -3.507 -17.555 -0.349 1.00 0.00 C ATOM 1819 O LYS A 110 -3.063 -18.697 -0.228 1.00 0.00 O ATOM 1820 CB LYS A 110 -3.968 -16.455 -2.547 1.00 0.00 C ATOM 1821 CG LYS A 110 -4.805 -16.490 -3.814 1.00 0.00 C ATOM 1822 CD LYS A 110 -4.050 -15.910 -4.998 1.00 0.00 C ATOM 1823 CE LYS A 110 -4.792 -16.152 -6.304 1.00 0.00 C ATOM 1824 NZ LYS A 110 -4.017 -15.664 -7.479 1.00 0.00 N ATOM 0 H LYS A 110 -5.872 -15.594 -1.242 1.00 0.00 H new ATOM 0 HA LYS A 110 -4.984 -18.179 -1.764 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -3.831 -15.418 -2.241 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -2.978 -16.857 -2.764 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -5.092 -17.518 -4.033 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -5.726 -15.928 -3.658 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -3.908 -14.839 -4.852 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -3.058 -16.358 -5.053 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -4.991 -17.218 -6.417 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -5.758 -15.649 -6.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -4.555 -15.847 -8.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -3.849 -14.642 -7.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -3.105 -16.162 -7.525 1.00 0.00 H new ATOM 1838 N VAL A 111 -3.095 -16.536 0.399 1.00 0.00 N ATOM 1839 CA VAL A 111 -2.075 -16.705 1.427 1.00 0.00 C ATOM 1840 C VAL A 111 -2.480 -17.780 2.431 1.00 0.00 C ATOM 1841 O VAL A 111 -1.667 -18.620 2.819 1.00 0.00 O ATOM 1842 CB VAL A 111 -1.813 -15.388 2.181 1.00 0.00 C ATOM 1843 CG1 VAL A 111 -0.788 -15.598 3.284 1.00 0.00 C ATOM 1844 CG2 VAL A 111 -1.355 -14.304 1.215 1.00 0.00 C ATOM 0 H VAL A 111 -3.452 -15.585 0.312 1.00 0.00 H new ATOM 0 HA VAL A 111 -1.161 -17.011 0.918 1.00 0.00 H new ATOM 0 HB VAL A 111 -2.745 -15.062 2.643 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -0.616 -14.656 3.805 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -1.160 -16.341 3.990 1.00 0.00 H new ATOM 0 HG13 VAL A 111 0.148 -15.948 2.849 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -1.174 -13.380 1.764 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -0.435 -14.620 0.723 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -2.128 -14.135 0.465 1.00 0.00 H new ATOM 1854 N LYS A 112 -3.741 -17.748 2.847 1.00 0.00 N ATOM 1855 CA LYS A 112 -4.256 -18.720 3.804 1.00 0.00 C ATOM 1856 C LYS A 112 -4.360 -20.104 3.171 1.00 0.00 C ATOM 1857 O LYS A 112 -4.256 -21.121 3.859 1.00 0.00 O ATOM 1858 CB LYS A 112 -5.627 -18.279 4.322 1.00 0.00 C ATOM 1859 CG LYS A 112 -5.599 -16.956 5.067 1.00 0.00 C ATOM 1860 CD LYS A 112 -6.757 -16.061 4.659 1.00 0.00 C ATOM 1861 CE LYS A 112 -7.932 -16.199 5.614 1.00 0.00 C ATOM 1862 NZ LYS A 112 -8.321 -17.623 5.813 1.00 0.00 N ATOM 0 H LYS A 112 -4.426 -17.059 2.536 1.00 0.00 H new ATOM 0 HA LYS A 112 -3.559 -18.774 4.640 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -6.315 -18.198 3.481 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -6.022 -19.050 4.983 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -5.642 -17.141 6.140 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -4.656 -16.446 4.869 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -6.425 -15.023 4.636 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -7.076 -16.316 3.648 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -7.673 -15.756 6.575 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -8.784 -15.641 5.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -9.254 -17.667 6.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -8.363 -18.103 4.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -7.618 -18.094 6.417 1.00 0.00 H new ATOM 1876 N ASP A 113 -4.567 -20.135 1.859 1.00 0.00 N ATOM 1877 CA ASP A 113 -4.682 -21.396 1.134 1.00 0.00 C ATOM 1878 C ASP A 113 -3.348 -22.135 1.111 1.00 0.00 C ATOM 1879 O ASP A 113 -3.286 -23.332 1.393 1.00 0.00 O ATOM 1880 CB ASP A 113 -5.165 -21.143 -0.295 1.00 0.00 C ATOM 1881 CG ASP A 113 -5.514 -22.426 -1.023 1.00 0.00 C ATOM 1882 OD1 ASP A 113 -6.488 -23.093 -0.617 1.00 0.00 O ATOM 1883 OD2 ASP A 113 -4.814 -22.762 -2.001 1.00 0.00 O ATOM 0 H ASP A 113 -4.659 -19.303 1.276 1.00 0.00 H new ATOM 0 HA ASP A 113 -5.411 -22.019 1.651 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -6.040 -20.493 -0.270 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -4.390 -20.613 -0.849 1.00 0.00 H new ATOM 1888 N ILE A 114 -2.285 -21.413 0.773 1.00 0.00 N ATOM 1889 CA ILE A 114 -0.952 -22.001 0.713 1.00 0.00 C ATOM 1890 C ILE A 114 -0.568 -22.628 2.049 1.00 0.00 C ATOM 1891 O ILE A 114 -0.695 -22.001 3.100 1.00 0.00 O ATOM 1892 CB ILE A 114 0.108 -20.953 0.327 1.00 0.00 C ATOM 1893 CG1 ILE A 114 0.081 -20.700 -1.182 1.00 0.00 C ATOM 1894 CG2 ILE A 114 1.490 -21.410 0.769 1.00 0.00 C ATOM 1895 CD1 ILE A 114 -0.593 -19.403 -1.566 1.00 0.00 C ATOM 0 H ILE A 114 -2.320 -20.421 0.537 1.00 0.00 H new ATOM 0 HA ILE A 114 -0.982 -22.775 -0.054 1.00 0.00 H new ATOM 0 HB ILE A 114 -0.124 -20.018 0.837 1.00 0.00 H new ATOM 0 HG12 ILE A 114 1.104 -20.694 -1.559 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -0.434 -21.526 -1.671 1.00 0.00 H new ATOM 0 HG21 ILE A 114 2.228 -20.659 0.489 1.00 0.00 H new ATOM 0 HG22 ILE A 114 1.500 -21.544 1.851 1.00 0.00 H new ATOM 0 HG23 ILE A 114 1.733 -22.356 0.284 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -0.575 -19.291 -2.650 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -1.626 -19.413 -1.220 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -0.065 -18.568 -1.106 1.00 0.00 H new ATOM 1907 N GLN A 115 -0.094 -23.870 1.999 1.00 0.00 N ATOM 1908 CA GLN A 115 0.311 -24.581 3.205 1.00 0.00 C ATOM 1909 C GLN A 115 1.821 -24.504 3.402 1.00 0.00 C ATOM 1910 O GLN A 115 2.590 -24.645 2.451 1.00 0.00 O ATOM 1911 CB GLN A 115 -0.132 -26.044 3.132 1.00 0.00 C ATOM 1912 CG GLN A 115 0.451 -26.797 1.948 1.00 0.00 C ATOM 1913 CD GLN A 115 -0.564 -27.702 1.277 1.00 0.00 C ATOM 1914 OE1 GLN A 115 -1.428 -27.241 0.530 1.00 0.00 O ATOM 1915 NE2 GLN A 115 -0.465 -29.000 1.539 1.00 0.00 N ATOM 0 H GLN A 115 0.018 -24.403 1.137 1.00 0.00 H new ATOM 0 HA GLN A 115 -0.172 -24.104 4.057 1.00 0.00 H new ATOM 0 HB2 GLN A 115 0.159 -26.550 4.053 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -1.220 -26.083 3.077 1.00 0.00 H new ATOM 0 HG2 GLN A 115 0.833 -26.082 1.219 1.00 0.00 H new ATOM 0 HG3 GLN A 115 1.299 -27.394 2.283 1.00 0.00 H new ATOM 0 HE21 GLN A 115 0.266 -29.340 2.164 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -1.120 -29.657 1.115 1.00 0.00 H new ATOM 1924 N THR A 116 2.240 -24.278 4.643 1.00 0.00 N ATOM 1925 CA THR A 116 3.658 -24.180 4.965 1.00 0.00 C ATOM 1926 C THR A 116 3.962 -24.822 6.314 1.00 0.00 C ATOM 1927 O THR A 116 3.084 -25.417 6.939 1.00 0.00 O ATOM 1928 CB THR A 116 4.129 -22.713 4.991 1.00 0.00 C ATOM 1929 OG1 THR A 116 3.638 -22.062 6.168 1.00 0.00 O ATOM 1930 CG2 THR A 116 3.648 -21.969 3.754 1.00 0.00 C ATOM 0 H THR A 116 1.617 -24.159 5.442 1.00 0.00 H new ATOM 0 HA THR A 116 4.196 -24.714 4.182 1.00 0.00 H new ATOM 0 HB THR A 116 5.219 -22.704 5.000 1.00 0.00 H new ATOM 0 HG1 THR A 116 3.467 -21.117 5.972 1.00 0.00 H new ATOM 0 HG21 THR A 116 3.992 -20.936 3.794 1.00 0.00 H new ATOM 0 HG22 THR A 116 4.048 -22.450 2.861 1.00 0.00 H new ATOM 0 HG23 THR A 116 2.559 -21.987 3.719 1.00 0.00 H new ATOM 1938 N GLN A 117 5.209 -24.698 6.756 1.00 0.00 N ATOM 1939 CA GLN A 117 5.627 -25.268 8.032 1.00 0.00 C ATOM 1940 C GLN A 117 4.704 -24.815 9.158 1.00 0.00 C ATOM 1941 O GLN A 117 4.240 -23.675 9.175 1.00 0.00 O ATOM 1942 CB GLN A 117 7.069 -24.865 8.345 1.00 0.00 C ATOM 1943 CG GLN A 117 7.663 -25.608 9.531 1.00 0.00 C ATOM 1944 CD GLN A 117 7.405 -24.905 10.850 1.00 0.00 C ATOM 1945 OE1 GLN A 117 7.720 -23.726 11.010 1.00 0.00 O ATOM 1946 NE2 GLN A 117 6.828 -25.627 11.803 1.00 0.00 N ATOM 0 H GLN A 117 5.947 -24.208 6.250 1.00 0.00 H new ATOM 0 HA GLN A 117 5.569 -26.354 7.954 1.00 0.00 H new ATOM 0 HB2 GLN A 117 7.687 -25.047 7.466 1.00 0.00 H new ATOM 0 HB3 GLN A 117 7.104 -23.794 8.543 1.00 0.00 H new ATOM 0 HG2 GLN A 117 7.244 -26.613 9.572 1.00 0.00 H new ATOM 0 HG3 GLN A 117 8.738 -25.716 9.386 1.00 0.00 H new ATOM 0 HE21 GLN A 117 6.584 -26.602 11.627 1.00 0.00 H new ATOM 0 HE22 GLN A 117 6.629 -25.207 12.711 1.00 0.00 H new TER 1955 GLN A 117