USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 759 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 49 MET CE :methyl 159:sc= -0.173 (180deg=-0.726) USER MOD Set 1.2: A 85 TYR OH : rot -151:sc= 0.0937 USER MOD Set 2.1: A 50 TYR OH : rot 2:sc= 0.0706 USER MOD Set 2.2: A 59 THR OG1 : rot -79:sc= -0.117 USER MOD Set 2.3: A 62 GLN : amide:sc= 1.56 K(o=1.5,f=-6.6!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= -0.306 K(o=-0.31,f=-0.84) USER MOD Single : A 35 LYS NZ :NH3+ 170:sc= 1.3 (180deg=1.29) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -163:sc= -0.067 (180deg=-0.426) USER MOD Single : A 54 ASN : amide:sc= -1.21 K(o=-1.2,f=-2.2!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 74:sc= 1.14 USER MOD Single : A 65 GLN : amide:sc= -1.35 X(o=-1.4,f=-1.1) USER MOD Single : A 69 SER OG : rot 180:sc= -0.196 USER MOD Single : A 72 SER OG : rot 180:sc= 0.0299 USER MOD Single : A 76 HIS : no HD1:sc= -0.8 X(o=-0.8,f=-0.77) USER MOD Single : A 79 ASN : amide:sc= 1.01 K(o=1,f=-0.025) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= -1.18 K(o=-1.2,f=-0.0038) USER MOD Single : A 96 SER OG : rot 148:sc= 1.27 USER MOD Single : A 98 TYR OH : rot 17:sc= 0.749 USER MOD Single : A 99 GLN : amide:sc= -0.115 K(o=-0.11,f=-0.66) USER MOD Single : A 102 SER OG : rot -152:sc= 1 USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 HIS : no HD1:sc= -0.437 X(o=-0.44,f=-0.13) USER MOD Single : A 108 GLN : amide:sc= -0.235 X(o=-0.24,f=-0.19) USER MOD Single : A 113 SER OG : rot -99:sc= 0.943 USER MOD Single : A 122 SER OG : rot 51:sc= -8.79! USER MOD Single : A 123 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 128 ASN : amide:sc= 1.07 K(o=1.1,f=-6.3!) USER MOD Single : A 130 THR OG1 : rot 29:sc= 1.44 USER MOD ----------------------------------------------------------------- ATOM 63 N GLU A 29 19.144 -5.581 -4.497 1.00 0.00 N ATOM 64 CA GLU A 29 18.135 -4.655 -4.008 1.00 0.00 C ATOM 65 C GLU A 29 17.448 -3.954 -5.172 1.00 0.00 C ATOM 66 O GLU A 29 16.261 -3.645 -5.100 1.00 0.00 O ATOM 67 CB GLU A 29 18.764 -3.626 -3.068 1.00 0.00 C ATOM 68 CG GLU A 29 17.758 -2.661 -2.463 1.00 0.00 C ATOM 69 CD GLU A 29 18.402 -1.651 -1.543 1.00 0.00 C ATOM 70 OE1 GLU A 29 18.382 -1.863 -0.313 1.00 0.00 O ATOM 71 OE2 GLU A 29 18.933 -0.638 -2.043 1.00 0.00 O ATOM 0 HA GLU A 29 17.388 -5.222 -3.453 1.00 0.00 H new ATOM 0 HB2 GLU A 29 19.282 -4.149 -2.264 1.00 0.00 H new ATOM 0 HB3 GLU A 29 19.516 -3.058 -3.615 1.00 0.00 H new ATOM 0 HG2 GLU A 29 17.236 -2.137 -3.264 1.00 0.00 H new ATOM 0 HG3 GLU A 29 17.007 -3.225 -1.909 1.00 0.00 H new ATOM 78 N LYS A 30 18.198 -3.726 -6.247 1.00 0.00 N ATOM 79 CA LYS A 30 17.657 -3.095 -7.445 1.00 0.00 C ATOM 80 C LYS A 30 16.436 -3.857 -7.940 1.00 0.00 C ATOM 81 O LYS A 30 15.384 -3.272 -8.183 1.00 0.00 O ATOM 82 CB LYS A 30 18.726 -3.054 -8.543 1.00 0.00 C ATOM 83 CG LYS A 30 18.276 -2.379 -9.832 1.00 0.00 C ATOM 84 CD LYS A 30 18.013 -0.896 -9.627 1.00 0.00 C ATOM 85 CE LYS A 30 17.620 -0.214 -10.927 1.00 0.00 C ATOM 86 NZ LYS A 30 17.426 1.249 -10.752 1.00 0.00 N ATOM 0 H LYS A 30 19.186 -3.970 -6.312 1.00 0.00 H new ATOM 0 HA LYS A 30 17.358 -2.076 -7.198 1.00 0.00 H new ATOM 0 HB2 LYS A 30 19.603 -2.532 -8.160 1.00 0.00 H new ATOM 0 HB3 LYS A 30 19.036 -4.074 -8.770 1.00 0.00 H new ATOM 0 HG2 LYS A 30 19.040 -2.511 -10.598 1.00 0.00 H new ATOM 0 HG3 LYS A 30 17.370 -2.862 -10.199 1.00 0.00 H new ATOM 0 HD2 LYS A 30 17.219 -0.765 -8.892 1.00 0.00 H new ATOM 0 HD3 LYS A 30 18.906 -0.420 -9.221 1.00 0.00 H new ATOM 0 HE2 LYS A 30 18.392 -0.390 -11.676 1.00 0.00 H new ATOM 0 HE3 LYS A 30 16.700 -0.659 -11.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 17.159 1.675 -11.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 16.672 1.418 -10.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 18.311 1.679 -10.415 1.00 0.00 H new ATOM 100 N ALA A 31 16.581 -5.168 -8.054 1.00 0.00 N ATOM 101 CA ALA A 31 15.493 -6.021 -8.496 1.00 0.00 C ATOM 102 C ALA A 31 14.429 -6.155 -7.414 1.00 0.00 C ATOM 103 O ALA A 31 13.233 -6.046 -7.684 1.00 0.00 O ATOM 104 CB ALA A 31 16.024 -7.391 -8.888 1.00 0.00 C ATOM 0 H ALA A 31 17.447 -5.665 -7.845 1.00 0.00 H new ATOM 0 HA ALA A 31 15.032 -5.559 -9.369 1.00 0.00 H new ATOM 0 HB1 ALA A 31 15.198 -8.021 -9.218 1.00 0.00 H new ATOM 0 HB2 ALA A 31 16.744 -7.284 -9.699 1.00 0.00 H new ATOM 0 HB3 ALA A 31 16.511 -7.852 -8.029 1.00 0.00 H new ATOM 110 N ASP A 32 14.880 -6.374 -6.184 1.00 0.00 N ATOM 111 CA ASP A 32 13.979 -6.657 -5.071 1.00 0.00 C ATOM 112 C ASP A 32 13.058 -5.484 -4.764 1.00 0.00 C ATOM 113 O ASP A 32 11.854 -5.673 -4.588 1.00 0.00 O ATOM 114 CB ASP A 32 14.759 -7.053 -3.815 1.00 0.00 C ATOM 115 CG ASP A 32 15.413 -8.416 -3.939 1.00 0.00 C ATOM 116 OD1 ASP A 32 16.553 -8.581 -3.457 1.00 0.00 O ATOM 117 OD2 ASP A 32 14.788 -9.333 -4.519 1.00 0.00 O ATOM 0 H ASP A 32 15.868 -6.361 -5.931 1.00 0.00 H new ATOM 0 HA ASP A 32 13.357 -7.497 -5.380 1.00 0.00 H new ATOM 0 HB2 ASP A 32 15.525 -6.303 -3.616 1.00 0.00 H new ATOM 0 HB3 ASP A 32 14.085 -7.054 -2.959 1.00 0.00 H new ATOM 122 N ARG A 33 13.602 -4.274 -4.704 1.00 0.00 N ATOM 123 CA ARG A 33 12.779 -3.113 -4.394 1.00 0.00 C ATOM 124 C ARG A 33 11.820 -2.807 -5.540 1.00 0.00 C ATOM 125 O ARG A 33 10.709 -2.348 -5.305 1.00 0.00 O ATOM 126 CB ARG A 33 13.605 -1.878 -3.991 1.00 0.00 C ATOM 127 CG ARG A 33 14.453 -1.251 -5.083 1.00 0.00 C ATOM 128 CD ARG A 33 15.165 -0.016 -4.545 1.00 0.00 C ATOM 129 NE ARG A 33 16.074 0.588 -5.516 1.00 0.00 N ATOM 130 CZ ARG A 33 16.650 1.781 -5.354 1.00 0.00 C ATOM 131 NH1 ARG A 33 16.401 2.506 -4.269 1.00 0.00 N ATOM 132 NH2 ARG A 33 17.478 2.250 -6.278 1.00 0.00 N ATOM 0 H ARG A 33 14.589 -4.074 -4.862 1.00 0.00 H new ATOM 0 HA ARG A 33 12.187 -3.370 -3.515 1.00 0.00 H new ATOM 0 HB2 ARG A 33 12.922 -1.119 -3.610 1.00 0.00 H new ATOM 0 HB3 ARG A 33 14.261 -2.159 -3.167 1.00 0.00 H new ATOM 0 HG2 ARG A 33 15.184 -1.973 -5.447 1.00 0.00 H new ATOM 0 HG3 ARG A 33 13.825 -0.978 -5.931 1.00 0.00 H new ATOM 0 HD2 ARG A 33 14.422 0.722 -4.243 1.00 0.00 H new ATOM 0 HD3 ARG A 33 15.726 -0.288 -3.651 1.00 0.00 H new ATOM 0 HE ARG A 33 16.281 0.067 -6.368 1.00 0.00 H new ATOM 0 HH11 ARG A 33 15.766 2.152 -3.553 1.00 0.00 H new ATOM 0 HH12 ARG A 33 16.845 3.417 -4.151 1.00 0.00 H new ATOM 0 HH21 ARG A 33 17.675 1.699 -7.113 1.00 0.00 H new ATOM 0 HH22 ARG A 33 17.918 3.162 -6.153 1.00 0.00 H new ATOM 146 N GLN A 34 12.247 -3.055 -6.777 1.00 0.00 N ATOM 147 CA GLN A 34 11.364 -2.891 -7.931 1.00 0.00 C ATOM 148 C GLN A 34 10.132 -3.792 -7.818 1.00 0.00 C ATOM 149 O GLN A 34 9.032 -3.406 -8.225 1.00 0.00 O ATOM 150 CB GLN A 34 12.109 -3.176 -9.235 1.00 0.00 C ATOM 151 CG GLN A 34 13.011 -2.034 -9.674 1.00 0.00 C ATOM 152 CD GLN A 34 12.243 -0.751 -9.925 1.00 0.00 C ATOM 153 OE1 GLN A 34 11.077 -0.775 -10.323 1.00 0.00 O ATOM 154 NE2 GLN A 34 12.887 0.378 -9.691 1.00 0.00 N ATOM 0 H GLN A 34 13.191 -3.368 -7.005 1.00 0.00 H new ATOM 0 HA GLN A 34 11.029 -1.854 -7.943 1.00 0.00 H new ATOM 0 HB2 GLN A 34 12.709 -4.078 -9.113 1.00 0.00 H new ATOM 0 HB3 GLN A 34 11.384 -3.380 -10.023 1.00 0.00 H new ATOM 0 HG2 GLN A 34 13.767 -1.857 -8.909 1.00 0.00 H new ATOM 0 HG3 GLN A 34 13.539 -2.321 -10.583 1.00 0.00 H new ATOM 0 HE21 GLN A 34 13.852 0.356 -9.362 1.00 0.00 H new ATOM 0 HE22 GLN A 34 12.419 1.272 -9.839 1.00 0.00 H new ATOM 163 N LYS A 35 10.317 -4.989 -7.265 1.00 0.00 N ATOM 164 CA LYS A 35 9.194 -5.881 -6.974 1.00 0.00 C ATOM 165 C LYS A 35 8.272 -5.215 -5.964 1.00 0.00 C ATOM 166 O LYS A 35 7.048 -5.218 -6.107 1.00 0.00 O ATOM 167 CB LYS A 35 9.682 -7.205 -6.383 1.00 0.00 C ATOM 168 CG LYS A 35 10.753 -7.910 -7.195 1.00 0.00 C ATOM 169 CD LYS A 35 11.348 -9.063 -6.404 1.00 0.00 C ATOM 170 CE LYS A 35 12.523 -9.701 -7.120 1.00 0.00 C ATOM 171 NZ LYS A 35 13.215 -10.692 -6.255 1.00 0.00 N ATOM 0 H LYS A 35 11.231 -5.364 -7.010 1.00 0.00 H new ATOM 0 HA LYS A 35 8.668 -6.080 -7.907 1.00 0.00 H new ATOM 0 HB2 LYS A 35 10.070 -7.018 -5.382 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.829 -7.875 -6.275 1.00 0.00 H new ATOM 0 HG2 LYS A 35 10.326 -8.282 -8.126 1.00 0.00 H new ATOM 0 HG3 LYS A 35 11.538 -7.203 -7.465 1.00 0.00 H new ATOM 0 HD2 LYS A 35 11.671 -8.703 -5.427 1.00 0.00 H new ATOM 0 HD3 LYS A 35 10.580 -9.816 -6.228 1.00 0.00 H new ATOM 0 HE2 LYS A 35 12.174 -10.191 -8.029 1.00 0.00 H new ATOM 0 HE3 LYS A 35 13.228 -8.928 -7.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 13.901 -11.229 -6.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 13.713 -10.196 -5.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 12.516 -11.345 -5.848 1.00 0.00 H new ATOM 185 N VAL A 36 8.892 -4.631 -4.948 1.00 0.00 N ATOM 186 CA VAL A 36 8.180 -3.960 -3.875 1.00 0.00 C ATOM 187 C VAL A 36 7.357 -2.793 -4.406 1.00 0.00 C ATOM 188 O VAL A 36 6.186 -2.657 -4.072 1.00 0.00 O ATOM 189 CB VAL A 36 9.164 -3.452 -2.803 1.00 0.00 C ATOM 190 CG1 VAL A 36 8.461 -2.580 -1.783 1.00 0.00 C ATOM 191 CG2 VAL A 36 9.852 -4.620 -2.120 1.00 0.00 C ATOM 0 H VAL A 36 9.907 -4.610 -4.847 1.00 0.00 H new ATOM 0 HA VAL A 36 7.504 -4.687 -3.425 1.00 0.00 H new ATOM 0 HB VAL A 36 9.919 -2.843 -3.300 1.00 0.00 H new ATOM 0 HG11 VAL A 36 9.181 -2.237 -1.040 1.00 0.00 H new ATOM 0 HG12 VAL A 36 8.018 -1.719 -2.284 1.00 0.00 H new ATOM 0 HG13 VAL A 36 7.678 -3.156 -1.290 1.00 0.00 H new ATOM 0 HG21 VAL A 36 10.544 -4.244 -1.366 1.00 0.00 H new ATOM 0 HG22 VAL A 36 9.105 -5.254 -1.643 1.00 0.00 H new ATOM 0 HG23 VAL A 36 10.403 -5.201 -2.860 1.00 0.00 H new ATOM 201 N VAL A 37 7.971 -1.968 -5.245 1.00 0.00 N ATOM 202 CA VAL A 37 7.287 -0.820 -5.831 1.00 0.00 C ATOM 203 C VAL A 37 6.070 -1.271 -6.637 1.00 0.00 C ATOM 204 O VAL A 37 5.024 -0.628 -6.606 1.00 0.00 O ATOM 205 CB VAL A 37 8.231 0.012 -6.729 1.00 0.00 C ATOM 206 CG1 VAL A 37 7.500 1.212 -7.318 1.00 0.00 C ATOM 207 CG2 VAL A 37 9.452 0.467 -5.945 1.00 0.00 C ATOM 0 H VAL A 37 8.943 -2.072 -5.536 1.00 0.00 H new ATOM 0 HA VAL A 37 6.957 -0.187 -5.007 1.00 0.00 H new ATOM 0 HB VAL A 37 8.564 -0.623 -7.550 1.00 0.00 H new ATOM 0 HG11 VAL A 37 8.184 1.782 -7.946 1.00 0.00 H new ATOM 0 HG12 VAL A 37 6.659 0.867 -7.919 1.00 0.00 H new ATOM 0 HG13 VAL A 37 7.134 1.847 -6.511 1.00 0.00 H new ATOM 0 HG21 VAL A 37 10.104 1.051 -6.594 1.00 0.00 H new ATOM 0 HG22 VAL A 37 9.135 1.081 -5.102 1.00 0.00 H new ATOM 0 HG23 VAL A 37 9.993 -0.404 -5.576 1.00 0.00 H new ATOM 217 N SER A 38 6.210 -2.386 -7.343 1.00 0.00 N ATOM 218 CA SER A 38 5.110 -2.943 -8.122 1.00 0.00 C ATOM 219 C SER A 38 3.922 -3.273 -7.214 1.00 0.00 C ATOM 220 O SER A 38 2.774 -2.920 -7.514 1.00 0.00 O ATOM 221 CB SER A 38 5.581 -4.198 -8.862 1.00 0.00 C ATOM 222 OG SER A 38 4.554 -4.735 -9.676 1.00 0.00 O ATOM 0 H SER A 38 7.076 -2.923 -7.393 1.00 0.00 H new ATOM 0 HA SER A 38 4.786 -2.202 -8.852 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.446 -3.955 -9.479 1.00 0.00 H new ATOM 0 HB3 SER A 38 5.904 -4.948 -8.140 1.00 0.00 H new ATOM 0 HG SER A 38 4.886 -5.534 -10.136 1.00 0.00 H new ATOM 228 N ASP A 39 4.202 -3.926 -6.094 1.00 0.00 N ATOM 229 CA ASP A 39 3.163 -4.261 -5.126 1.00 0.00 C ATOM 230 C ASP A 39 2.638 -3.000 -4.463 1.00 0.00 C ATOM 231 O ASP A 39 1.461 -2.899 -4.135 1.00 0.00 O ATOM 232 CB ASP A 39 3.687 -5.213 -4.049 1.00 0.00 C ATOM 233 CG ASP A 39 3.994 -6.602 -4.570 1.00 0.00 C ATOM 234 OD1 ASP A 39 3.642 -6.913 -5.725 1.00 0.00 O ATOM 235 OD2 ASP A 39 4.592 -7.393 -3.818 1.00 0.00 O ATOM 0 H ASP A 39 5.138 -4.234 -5.832 1.00 0.00 H new ATOM 0 HA ASP A 39 2.358 -4.758 -5.668 1.00 0.00 H new ATOM 0 HB2 ASP A 39 4.590 -4.790 -3.609 1.00 0.00 H new ATOM 0 HB3 ASP A 39 2.949 -5.288 -3.250 1.00 0.00 H new ATOM 240 N LEU A 40 3.534 -2.048 -4.267 1.00 0.00 N ATOM 241 CA LEU A 40 3.206 -0.771 -3.654 1.00 0.00 C ATOM 242 C LEU A 40 2.155 -0.033 -4.480 1.00 0.00 C ATOM 243 O LEU A 40 1.202 0.522 -3.933 1.00 0.00 O ATOM 244 CB LEU A 40 4.479 0.067 -3.531 1.00 0.00 C ATOM 245 CG LEU A 40 4.415 1.248 -2.568 1.00 0.00 C ATOM 246 CD1 LEU A 40 4.232 0.764 -1.138 1.00 0.00 C ATOM 247 CD2 LEU A 40 5.677 2.080 -2.689 1.00 0.00 C ATOM 0 H LEU A 40 4.515 -2.139 -4.530 1.00 0.00 H new ATOM 0 HA LEU A 40 2.790 -0.943 -2.661 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.292 -0.588 -3.217 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.738 0.445 -4.520 1.00 0.00 H new ATOM 0 HG LEU A 40 3.557 1.867 -2.829 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.189 1.621 -0.466 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.305 0.196 -1.062 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.071 0.127 -0.859 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.625 2.922 -1.999 1.00 0.00 H new ATOM 0 HD22 LEU A 40 6.543 1.465 -2.446 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.771 2.452 -3.709 1.00 0.00 H new ATOM 259 N VAL A 41 2.326 -0.042 -5.802 1.00 0.00 N ATOM 260 CA VAL A 41 1.341 0.551 -6.703 1.00 0.00 C ATOM 261 C VAL A 41 0.015 -0.184 -6.578 1.00 0.00 C ATOM 262 O VAL A 41 -1.041 0.425 -6.651 1.00 0.00 O ATOM 263 CB VAL A 41 1.785 0.519 -8.183 1.00 0.00 C ATOM 264 CG1 VAL A 41 0.804 1.288 -9.057 1.00 0.00 C ATOM 265 CG2 VAL A 41 3.191 1.074 -8.345 1.00 0.00 C ATOM 0 H VAL A 41 3.134 -0.452 -6.270 1.00 0.00 H new ATOM 0 HA VAL A 41 1.238 1.595 -6.406 1.00 0.00 H new ATOM 0 HB VAL A 41 1.793 -0.522 -8.507 1.00 0.00 H new ATOM 0 HG11 VAL A 41 1.136 1.252 -10.095 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.185 0.837 -8.977 1.00 0.00 H new ATOM 0 HG13 VAL A 41 0.758 2.326 -8.726 1.00 0.00 H new ATOM 0 HG21 VAL A 41 3.477 1.039 -9.396 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.217 2.106 -7.996 1.00 0.00 H new ATOM 0 HG23 VAL A 41 3.888 0.475 -7.759 1.00 0.00 H new ATOM 275 N ALA A 42 0.082 -1.502 -6.403 1.00 0.00 N ATOM 276 CA ALA A 42 -1.119 -2.309 -6.204 1.00 0.00 C ATOM 277 C ALA A 42 -1.811 -1.946 -4.890 1.00 0.00 C ATOM 278 O ALA A 42 -3.039 -1.897 -4.819 1.00 0.00 O ATOM 279 CB ALA A 42 -0.778 -3.792 -6.228 1.00 0.00 C ATOM 0 H ALA A 42 0.953 -2.033 -6.395 1.00 0.00 H new ATOM 0 HA ALA A 42 -1.806 -2.095 -7.023 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -1.686 -4.377 -6.078 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -0.336 -4.048 -7.191 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -0.067 -4.015 -5.432 1.00 0.00 H new ATOM 285 N LEU A 43 -1.017 -1.691 -3.853 1.00 0.00 N ATOM 286 CA LEU A 43 -1.553 -1.312 -2.548 1.00 0.00 C ATOM 287 C LEU A 43 -2.285 0.019 -2.637 1.00 0.00 C ATOM 288 O LEU A 43 -3.429 0.141 -2.199 1.00 0.00 O ATOM 289 CB LEU A 43 -0.424 -1.201 -1.519 1.00 0.00 C ATOM 290 CG LEU A 43 0.351 -2.489 -1.240 1.00 0.00 C ATOM 291 CD1 LEU A 43 1.456 -2.223 -0.236 1.00 0.00 C ATOM 292 CD2 LEU A 43 -0.578 -3.575 -0.725 1.00 0.00 C ATOM 0 H LEU A 43 0.001 -1.740 -3.891 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.254 -2.085 -2.233 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.280 -0.442 -1.861 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.847 -0.843 -0.580 1.00 0.00 H new ATOM 0 HG LEU A 43 0.795 -2.834 -2.173 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.003 -3.146 -0.043 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.139 -1.474 -0.637 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.022 -1.858 0.695 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.006 -4.483 -0.533 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.050 -3.242 0.199 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.346 -3.781 -1.471 1.00 0.00 H new ATOM 304 N GLU A 44 -1.629 1.005 -3.233 1.00 0.00 N ATOM 305 CA GLU A 44 -2.230 2.317 -3.421 1.00 0.00 C ATOM 306 C GLU A 44 -3.371 2.216 -4.423 1.00 0.00 C ATOM 307 O GLU A 44 -4.366 2.927 -4.323 1.00 0.00 O ATOM 308 CB GLU A 44 -1.186 3.330 -3.885 1.00 0.00 C ATOM 309 CG GLU A 44 -1.673 4.768 -3.827 1.00 0.00 C ATOM 310 CD GLU A 44 -0.599 5.770 -4.191 1.00 0.00 C ATOM 311 OE1 GLU A 44 0.135 6.214 -3.287 1.00 0.00 O ATOM 312 OE2 GLU A 44 -0.498 6.130 -5.384 1.00 0.00 O ATOM 0 H GLU A 44 -0.679 0.920 -3.595 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.627 2.665 -2.468 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -0.294 3.231 -3.266 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -0.892 3.095 -4.908 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -2.518 4.887 -4.505 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -2.037 4.982 -2.822 1.00 0.00 H new ATOM 319 N GLY A 45 -3.199 1.329 -5.392 1.00 0.00 N ATOM 320 CA GLY A 45 -4.234 1.053 -6.364 1.00 0.00 C ATOM 321 C GLY A 45 -5.515 0.596 -5.696 1.00 0.00 C ATOM 322 O GLY A 45 -6.601 1.082 -6.014 1.00 0.00 O ATOM 0 H GLY A 45 -2.345 0.787 -5.522 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.429 1.949 -6.953 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -3.889 0.285 -7.056 1.00 0.00 H new ATOM 326 N ALA A 46 -5.379 -0.336 -4.757 1.00 0.00 N ATOM 327 CA ALA A 46 -6.508 -0.805 -3.968 1.00 0.00 C ATOM 328 C ALA A 46 -7.132 0.340 -3.182 1.00 0.00 C ATOM 329 O ALA A 46 -8.355 0.472 -3.120 1.00 0.00 O ATOM 330 CB ALA A 46 -6.061 -1.912 -3.030 1.00 0.00 C ATOM 0 H ALA A 46 -4.492 -0.782 -4.525 1.00 0.00 H new ATOM 0 HA ALA A 46 -7.265 -1.200 -4.646 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.912 -2.257 -2.443 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -5.661 -2.742 -3.612 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -5.289 -1.532 -2.361 1.00 0.00 H new ATOM 336 N LEU A 47 -6.279 1.174 -2.590 1.00 0.00 N ATOM 337 CA LEU A 47 -6.725 2.341 -1.846 1.00 0.00 C ATOM 338 C LEU A 47 -7.523 3.279 -2.746 1.00 0.00 C ATOM 339 O LEU A 47 -8.565 3.804 -2.349 1.00 0.00 O ATOM 340 CB LEU A 47 -5.514 3.083 -1.266 1.00 0.00 C ATOM 341 CG LEU A 47 -4.559 2.237 -0.421 1.00 0.00 C ATOM 342 CD1 LEU A 47 -3.476 3.106 0.197 1.00 0.00 C ATOM 343 CD2 LEU A 47 -5.315 1.480 0.653 1.00 0.00 C ATOM 0 H LEU A 47 -5.266 1.057 -2.614 1.00 0.00 H new ATOM 0 HA LEU A 47 -7.369 2.008 -1.032 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.950 3.520 -2.090 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -5.876 3.909 -0.654 1.00 0.00 H new ATOM 0 HG LEU A 47 -4.081 1.509 -1.077 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -2.808 2.485 0.794 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -2.907 3.596 -0.593 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -3.935 3.861 0.835 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.615 0.886 1.241 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.827 2.188 1.305 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -6.048 0.821 0.187 1.00 0.00 H new ATOM 355 N ASP A 48 -7.024 3.472 -3.961 1.00 0.00 N ATOM 356 CA ASP A 48 -7.673 4.331 -4.943 1.00 0.00 C ATOM 357 C ASP A 48 -9.041 3.778 -5.317 1.00 0.00 C ATOM 358 O ASP A 48 -10.022 4.520 -5.386 1.00 0.00 O ATOM 359 CB ASP A 48 -6.800 4.458 -6.196 1.00 0.00 C ATOM 360 CG ASP A 48 -7.378 5.415 -7.221 1.00 0.00 C ATOM 361 OD1 ASP A 48 -8.029 4.949 -8.181 1.00 0.00 O ATOM 362 OD2 ASP A 48 -7.180 6.643 -7.072 1.00 0.00 O ATOM 0 H ASP A 48 -6.162 3.039 -4.292 1.00 0.00 H new ATOM 0 HA ASP A 48 -7.805 5.319 -4.501 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -5.806 4.799 -5.907 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -6.680 3.475 -6.651 1.00 0.00 H new ATOM 367 N MET A 49 -9.102 2.469 -5.535 1.00 0.00 N ATOM 368 CA MET A 49 -10.347 1.812 -5.911 1.00 0.00 C ATOM 369 C MET A 49 -11.355 1.837 -4.772 1.00 0.00 C ATOM 370 O MET A 49 -12.544 2.085 -4.987 1.00 0.00 O ATOM 371 CB MET A 49 -10.088 0.369 -6.348 1.00 0.00 C ATOM 372 CG MET A 49 -9.313 0.264 -7.646 1.00 0.00 C ATOM 373 SD MET A 49 -9.023 -1.442 -8.142 1.00 0.00 S ATOM 374 CE MET A 49 -10.707 -2.021 -8.358 1.00 0.00 C ATOM 0 H MET A 49 -8.302 1.841 -5.457 1.00 0.00 H new ATOM 0 HA MET A 49 -10.767 2.366 -6.750 1.00 0.00 H new ATOM 0 HB2 MET A 49 -9.538 -0.148 -5.562 1.00 0.00 H new ATOM 0 HB3 MET A 49 -11.042 -0.146 -6.460 1.00 0.00 H new ATOM 0 HG2 MET A 49 -9.861 0.780 -8.435 1.00 0.00 H new ATOM 0 HG3 MET A 49 -8.356 0.774 -7.536 1.00 0.00 H new ATOM 0 HE1 MET A 49 -10.710 -2.901 -9.002 1.00 0.00 H new ATOM 0 HE2 MET A 49 -11.130 -2.281 -7.387 1.00 0.00 H new ATOM 0 HE3 MET A 49 -11.306 -1.234 -8.816 1.00 0.00 H new ATOM 384 N TYR A 50 -10.882 1.583 -3.562 1.00 0.00 N ATOM 385 CA TYR A 50 -11.743 1.614 -2.391 1.00 0.00 C ATOM 386 C TYR A 50 -12.289 3.022 -2.166 1.00 0.00 C ATOM 387 O TYR A 50 -13.475 3.201 -1.889 1.00 0.00 O ATOM 388 CB TYR A 50 -10.981 1.132 -1.153 1.00 0.00 C ATOM 389 CG TYR A 50 -11.796 1.185 0.121 1.00 0.00 C ATOM 390 CD1 TYR A 50 -12.620 0.129 0.493 1.00 0.00 C ATOM 391 CD2 TYR A 50 -11.746 2.297 0.948 1.00 0.00 C ATOM 392 CE1 TYR A 50 -13.370 0.187 1.653 1.00 0.00 C ATOM 393 CE2 TYR A 50 -12.488 2.359 2.105 1.00 0.00 C ATOM 394 CZ TYR A 50 -13.299 1.307 2.455 1.00 0.00 C ATOM 395 OH TYR A 50 -14.040 1.378 3.609 1.00 0.00 O ATOM 0 H TYR A 50 -9.908 1.353 -3.366 1.00 0.00 H new ATOM 0 HA TYR A 50 -12.583 0.941 -2.563 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -10.648 0.107 -1.318 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -10.086 1.742 -1.027 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -12.675 -0.749 -0.133 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -11.113 3.130 0.679 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -14.008 -0.640 1.930 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -12.433 3.233 2.737 1.00 0.00 H new ATOM 0 HH TYR A 50 -14.532 0.540 3.734 1.00 0.00 H new ATOM 405 N LYS A 51 -11.419 4.019 -2.297 1.00 0.00 N ATOM 406 CA LYS A 51 -11.817 5.409 -2.111 1.00 0.00 C ATOM 407 C LYS A 51 -12.730 5.871 -3.235 1.00 0.00 C ATOM 408 O LYS A 51 -13.612 6.692 -3.022 1.00 0.00 O ATOM 409 CB LYS A 51 -10.593 6.321 -2.038 1.00 0.00 C ATOM 410 CG LYS A 51 -10.949 7.786 -1.837 1.00 0.00 C ATOM 411 CD LYS A 51 -9.726 8.675 -1.917 1.00 0.00 C ATOM 412 CE LYS A 51 -10.100 10.145 -1.834 1.00 0.00 C ATOM 413 NZ LYS A 51 -11.005 10.558 -2.941 1.00 0.00 N ATOM 0 H LYS A 51 -10.435 3.890 -2.531 1.00 0.00 H new ATOM 0 HA LYS A 51 -12.361 5.470 -1.169 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -9.952 5.994 -1.219 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -10.015 6.217 -2.956 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -11.672 8.092 -2.593 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -11.429 7.914 -0.867 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -9.041 8.427 -1.107 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -9.197 8.485 -2.851 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -10.585 10.341 -0.878 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -9.194 10.751 -1.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -11.005 11.595 -3.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -10.673 10.142 -3.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -11.970 10.226 -2.743 1.00 0.00 H new ATOM 427 N LEU A 52 -12.515 5.353 -4.431 1.00 0.00 N ATOM 428 CA LEU A 52 -13.360 5.698 -5.563 1.00 0.00 C ATOM 429 C LEU A 52 -14.801 5.272 -5.293 1.00 0.00 C ATOM 430 O LEU A 52 -15.745 6.034 -5.516 1.00 0.00 O ATOM 431 CB LEU A 52 -12.838 5.025 -6.835 1.00 0.00 C ATOM 432 CG LEU A 52 -13.602 5.361 -8.116 1.00 0.00 C ATOM 433 CD1 LEU A 52 -13.516 6.849 -8.417 1.00 0.00 C ATOM 434 CD2 LEU A 52 -13.066 4.547 -9.284 1.00 0.00 C ATOM 0 H LEU A 52 -11.766 4.694 -4.644 1.00 0.00 H new ATOM 0 HA LEU A 52 -13.335 6.779 -5.704 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -11.793 5.305 -6.971 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -12.862 3.945 -6.690 1.00 0.00 H new ATOM 0 HG LEU A 52 -14.651 5.103 -7.968 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -14.066 7.067 -9.332 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -13.948 7.413 -7.591 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -12.472 7.135 -8.544 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -13.621 4.798 -10.188 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -12.010 4.774 -9.432 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -13.182 3.484 -9.071 1.00 0.00 H new ATOM 446 N ASP A 53 -14.952 4.052 -4.802 1.00 0.00 N ATOM 447 CA ASP A 53 -16.264 3.482 -4.519 1.00 0.00 C ATOM 448 C ASP A 53 -16.881 4.038 -3.231 1.00 0.00 C ATOM 449 O ASP A 53 -18.044 4.434 -3.216 1.00 0.00 O ATOM 450 CB ASP A 53 -16.154 1.958 -4.440 1.00 0.00 C ATOM 451 CG ASP A 53 -17.447 1.287 -4.025 1.00 0.00 C ATOM 452 OD1 ASP A 53 -18.374 1.195 -4.859 1.00 0.00 O ATOM 453 OD2 ASP A 53 -17.531 0.828 -2.868 1.00 0.00 O ATOM 0 H ASP A 53 -14.173 3.429 -4.588 1.00 0.00 H new ATOM 0 HA ASP A 53 -16.929 3.765 -5.335 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -15.847 1.571 -5.412 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -15.371 1.693 -3.730 1.00 0.00 H new ATOM 458 N ASN A 54 -16.094 4.084 -2.158 1.00 0.00 N ATOM 459 CA ASN A 54 -16.619 4.449 -0.835 1.00 0.00 C ATOM 460 C ASN A 54 -16.432 5.928 -0.523 1.00 0.00 C ATOM 461 O ASN A 54 -16.906 6.412 0.505 1.00 0.00 O ATOM 462 CB ASN A 54 -15.954 3.619 0.265 1.00 0.00 C ATOM 463 CG ASN A 54 -16.281 2.145 0.165 1.00 0.00 C ATOM 464 OD1 ASN A 54 -17.260 1.672 0.738 1.00 0.00 O ATOM 465 ND2 ASN A 54 -15.462 1.409 -0.563 1.00 0.00 N ATOM 0 H ASN A 54 -15.096 3.875 -2.173 1.00 0.00 H new ATOM 0 HA ASN A 54 -17.688 4.238 -0.862 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -14.873 3.751 0.211 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -16.273 3.992 1.238 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -15.631 0.408 -0.666 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -14.660 1.841 -1.022 1.00 0.00 H new ATOM 472 N SER A 55 -15.722 6.630 -1.402 1.00 0.00 N ATOM 473 CA SER A 55 -15.482 8.069 -1.260 1.00 0.00 C ATOM 474 C SER A 55 -14.624 8.397 -0.035 1.00 0.00 C ATOM 475 O SER A 55 -14.673 9.513 0.485 1.00 0.00 O ATOM 476 CB SER A 55 -16.808 8.822 -1.192 1.00 0.00 C ATOM 477 OG SER A 55 -17.585 8.587 -2.355 1.00 0.00 O ATOM 0 H SER A 55 -15.296 6.221 -2.233 1.00 0.00 H new ATOM 0 HA SER A 55 -14.926 8.392 -2.140 1.00 0.00 H new ATOM 0 HB2 SER A 55 -17.364 8.508 -0.309 1.00 0.00 H new ATOM 0 HB3 SER A 55 -16.619 9.890 -1.086 1.00 0.00 H new ATOM 0 HG SER A 55 -18.430 9.078 -2.288 1.00 0.00 H new ATOM 483 N ARG A 56 -13.830 7.432 0.415 1.00 0.00 N ATOM 484 CA ARG A 56 -12.951 7.639 1.559 1.00 0.00 C ATOM 485 C ARG A 56 -11.824 6.614 1.564 1.00 0.00 C ATOM 486 O ARG A 56 -11.988 5.501 1.065 1.00 0.00 O ATOM 487 CB ARG A 56 -13.756 7.589 2.873 1.00 0.00 C ATOM 488 CG ARG A 56 -14.578 6.319 3.073 1.00 0.00 C ATOM 489 CD ARG A 56 -13.763 5.199 3.699 1.00 0.00 C ATOM 490 NE ARG A 56 -13.367 5.505 5.073 1.00 0.00 N ATOM 491 CZ ARG A 56 -12.984 4.590 5.964 1.00 0.00 C ATOM 492 NH1 ARG A 56 -12.953 3.300 5.636 1.00 0.00 N ATOM 493 NH2 ARG A 56 -12.628 4.968 7.184 1.00 0.00 N ATOM 0 H ARG A 56 -13.777 6.499 0.005 1.00 0.00 H new ATOM 0 HA ARG A 56 -12.501 8.628 1.477 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -13.065 7.693 3.710 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -14.427 8.448 2.904 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -15.436 6.540 3.708 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -14.970 5.987 2.112 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -14.346 4.278 3.687 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -12.872 5.020 3.097 1.00 0.00 H new ATOM 0 HE ARG A 56 -13.385 6.481 5.369 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -13.223 3.006 4.698 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -12.659 2.606 6.323 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -12.648 5.956 7.438 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -12.334 4.271 7.869 1.00 0.00 H new ATOM 507 N TYR A 57 -10.676 7.006 2.105 1.00 0.00 N ATOM 508 CA TYR A 57 -9.523 6.118 2.201 1.00 0.00 C ATOM 509 C TYR A 57 -9.721 5.092 3.313 1.00 0.00 C ATOM 510 O TYR A 57 -10.312 5.396 4.347 1.00 0.00 O ATOM 511 CB TYR A 57 -8.245 6.919 2.462 1.00 0.00 C ATOM 512 CG TYR A 57 -7.533 7.377 1.207 1.00 0.00 C ATOM 513 CD1 TYR A 57 -7.331 8.725 0.953 1.00 0.00 C ATOM 514 CD2 TYR A 57 -7.049 6.456 0.286 1.00 0.00 C ATOM 515 CE1 TYR A 57 -6.666 9.145 -0.184 1.00 0.00 C ATOM 516 CE2 TYR A 57 -6.387 6.868 -0.855 1.00 0.00 C ATOM 517 CZ TYR A 57 -6.197 8.212 -1.084 1.00 0.00 C ATOM 518 OH TYR A 57 -5.530 8.626 -2.215 1.00 0.00 O ATOM 0 H TYR A 57 -10.519 7.939 2.486 1.00 0.00 H new ATOM 0 HA TYR A 57 -9.426 5.594 1.250 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -8.494 7.793 3.065 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -7.561 6.309 3.052 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -7.699 9.459 1.655 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -7.193 5.401 0.465 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -6.515 10.199 -0.366 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -6.021 6.139 -1.563 1.00 0.00 H new ATOM 0 HH TYR A 57 -5.265 7.844 -2.743 1.00 0.00 H new ATOM 528 N PRO A 58 -9.214 3.863 3.116 1.00 0.00 N ATOM 529 CA PRO A 58 -9.383 2.775 4.076 1.00 0.00 C ATOM 530 C PRO A 58 -8.490 2.940 5.299 1.00 0.00 C ATOM 531 O PRO A 58 -7.527 3.703 5.276 1.00 0.00 O ATOM 532 CB PRO A 58 -8.959 1.519 3.301 1.00 0.00 C ATOM 533 CG PRO A 58 -8.634 1.959 1.912 1.00 0.00 C ATOM 534 CD PRO A 58 -8.411 3.442 1.961 1.00 0.00 C ATOM 0 HA PRO A 58 -10.406 2.738 4.451 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -8.095 1.049 3.770 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -9.760 0.780 3.295 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -7.745 1.448 1.544 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -9.448 1.714 1.230 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -7.357 3.687 2.092 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -8.739 3.929 1.043 1.00 0.00 H new ATOM 542 N THR A 59 -8.825 2.225 6.364 1.00 0.00 N ATOM 543 CA THR A 59 -7.983 2.175 7.546 1.00 0.00 C ATOM 544 C THR A 59 -6.890 1.125 7.363 1.00 0.00 C ATOM 545 O THR A 59 -6.864 0.438 6.339 1.00 0.00 O ATOM 546 CB THR A 59 -8.807 1.859 8.807 1.00 0.00 C ATOM 547 OG1 THR A 59 -9.552 0.651 8.614 1.00 0.00 O ATOM 548 CG2 THR A 59 -9.758 3.001 9.130 1.00 0.00 C ATOM 0 H THR A 59 -9.678 1.670 6.431 1.00 0.00 H new ATOM 0 HA THR A 59 -7.527 3.156 7.677 1.00 0.00 H new ATOM 0 HB THR A 59 -8.119 1.732 9.643 1.00 0.00 H new ATOM 0 HG1 THR A 59 -10.353 0.842 8.083 1.00 0.00 H new ATOM 0 HG21 THR A 59 -10.330 2.756 10.025 1.00 0.00 H new ATOM 0 HG22 THR A 59 -9.186 3.913 9.303 1.00 0.00 H new ATOM 0 HG23 THR A 59 -10.440 3.154 8.294 1.00 0.00 H new ATOM 556 N THR A 60 -6.001 0.997 8.345 1.00 0.00 N ATOM 557 CA THR A 60 -4.848 0.103 8.241 1.00 0.00 C ATOM 558 C THR A 60 -5.248 -1.321 7.823 1.00 0.00 C ATOM 559 O THR A 60 -4.600 -1.926 6.966 1.00 0.00 O ATOM 560 CB THR A 60 -4.046 0.069 9.564 1.00 0.00 C ATOM 561 OG1 THR A 60 -2.923 -0.808 9.442 1.00 0.00 O ATOM 562 CG2 THR A 60 -4.910 -0.371 10.736 1.00 0.00 C ATOM 0 H THR A 60 -6.057 1.504 9.228 1.00 0.00 H new ATOM 0 HA THR A 60 -4.211 0.508 7.455 1.00 0.00 H new ATOM 0 HB THR A 60 -3.699 1.084 9.760 1.00 0.00 H new ATOM 0 HG1 THR A 60 -2.235 -0.384 8.887 1.00 0.00 H new ATOM 0 HG21 THR A 60 -4.310 -0.382 11.646 1.00 0.00 H new ATOM 0 HG22 THR A 60 -5.741 0.324 10.857 1.00 0.00 H new ATOM 0 HG23 THR A 60 -5.299 -1.371 10.546 1.00 0.00 H new ATOM 570 N GLU A 61 -6.325 -1.840 8.399 1.00 0.00 N ATOM 571 CA GLU A 61 -6.785 -3.183 8.074 1.00 0.00 C ATOM 572 C GLU A 61 -7.409 -3.220 6.684 1.00 0.00 C ATOM 573 O GLU A 61 -7.115 -4.107 5.881 1.00 0.00 O ATOM 574 CB GLU A 61 -7.801 -3.663 9.110 1.00 0.00 C ATOM 575 CG GLU A 61 -8.386 -5.032 8.808 1.00 0.00 C ATOM 576 CD GLU A 61 -9.477 -5.420 9.779 1.00 0.00 C ATOM 577 OE1 GLU A 61 -10.608 -4.911 9.644 1.00 0.00 O ATOM 578 OE2 GLU A 61 -9.213 -6.238 10.683 1.00 0.00 O ATOM 0 H GLU A 61 -6.894 -1.353 9.091 1.00 0.00 H new ATOM 0 HA GLU A 61 -5.921 -3.848 8.087 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -7.322 -3.691 10.089 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -8.612 -2.938 9.173 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -8.787 -5.037 7.794 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -7.592 -5.778 8.841 1.00 0.00 H new ATOM 585 N GLN A 62 -8.248 -2.231 6.397 1.00 0.00 N ATOM 586 CA GLN A 62 -9.005 -2.213 5.153 1.00 0.00 C ATOM 587 C GLN A 62 -8.087 -2.011 3.953 1.00 0.00 C ATOM 588 O GLN A 62 -8.365 -2.508 2.867 1.00 0.00 O ATOM 589 CB GLN A 62 -10.065 -1.107 5.184 1.00 0.00 C ATOM 590 CG GLN A 62 -10.978 -1.154 6.396 1.00 0.00 C ATOM 591 CD GLN A 62 -12.040 -0.070 6.361 1.00 0.00 C ATOM 592 OE1 GLN A 62 -11.808 1.057 6.802 1.00 0.00 O ATOM 593 NE2 GLN A 62 -13.217 -0.404 5.859 1.00 0.00 N ATOM 0 H GLN A 62 -8.420 -1.433 7.008 1.00 0.00 H new ATOM 0 HA GLN A 62 -9.499 -3.180 5.053 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -9.565 -0.139 5.157 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -10.673 -1.177 4.282 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -11.460 -2.130 6.447 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -10.381 -1.046 7.302 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -13.371 -1.348 5.503 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -13.971 0.282 5.827 1.00 0.00 H new ATOM 602 N GLY A 63 -6.996 -1.284 4.157 1.00 0.00 N ATOM 603 CA GLY A 63 -6.090 -0.979 3.065 1.00 0.00 C ATOM 604 C GLY A 63 -5.352 -2.198 2.543 1.00 0.00 C ATOM 605 O GLY A 63 -5.324 -2.444 1.339 1.00 0.00 O ATOM 0 H GLY A 63 -6.721 -0.899 5.061 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -6.654 -0.527 2.249 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -5.364 -0.238 3.400 1.00 0.00 H new ATOM 609 N LEU A 64 -4.766 -2.966 3.450 1.00 0.00 N ATOM 610 CA LEU A 64 -3.995 -4.145 3.071 1.00 0.00 C ATOM 611 C LEU A 64 -4.895 -5.252 2.534 1.00 0.00 C ATOM 612 O LEU A 64 -4.535 -5.957 1.591 1.00 0.00 O ATOM 613 CB LEU A 64 -3.193 -4.663 4.265 1.00 0.00 C ATOM 614 CG LEU A 64 -1.675 -4.619 4.096 1.00 0.00 C ATOM 615 CD1 LEU A 64 -1.193 -3.183 3.934 1.00 0.00 C ATOM 616 CD2 LEU A 64 -0.989 -5.285 5.279 1.00 0.00 C ATOM 0 H LEU A 64 -4.809 -2.795 4.455 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.310 -3.849 2.277 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.462 -4.078 5.145 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.491 -5.692 4.464 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.414 -5.169 3.192 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.110 -3.174 3.815 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.658 -2.740 3.053 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.466 -2.606 4.817 1.00 0.00 H new ATOM 0 HD21 LEU A 64 0.092 -5.245 5.143 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.259 -4.763 6.197 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.308 -6.325 5.346 1.00 0.00 H new ATOM 628 N GLN A 65 -6.060 -5.405 3.143 1.00 0.00 N ATOM 629 CA GLN A 65 -6.990 -6.457 2.752 1.00 0.00 C ATOM 630 C GLN A 65 -7.658 -6.160 1.410 1.00 0.00 C ATOM 631 O GLN A 65 -8.056 -7.079 0.703 1.00 0.00 O ATOM 632 CB GLN A 65 -8.056 -6.661 3.830 1.00 0.00 C ATOM 633 CG GLN A 65 -7.531 -7.325 5.097 1.00 0.00 C ATOM 634 CD GLN A 65 -7.002 -8.728 4.849 1.00 0.00 C ATOM 635 OE1 GLN A 65 -7.456 -9.428 3.940 1.00 0.00 O ATOM 636 NE2 GLN A 65 -6.053 -9.157 5.666 1.00 0.00 N ATOM 0 H GLN A 65 -6.386 -4.816 3.909 1.00 0.00 H new ATOM 0 HA GLN A 65 -6.410 -7.373 2.641 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -8.486 -5.694 4.090 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -8.862 -7.269 3.420 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -6.736 -6.711 5.521 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -8.330 -7.368 5.837 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -5.703 -8.548 6.406 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -5.671 -10.096 5.556 1.00 0.00 H new ATOM 645 N ALA A 66 -7.724 -4.885 1.039 1.00 0.00 N ATOM 646 CA ALA A 66 -8.551 -4.441 -0.088 1.00 0.00 C ATOM 647 C ALA A 66 -8.180 -5.112 -1.411 1.00 0.00 C ATOM 648 O ALA A 66 -9.022 -5.233 -2.302 1.00 0.00 O ATOM 649 CB ALA A 66 -8.464 -2.931 -0.234 1.00 0.00 C ATOM 0 H ALA A 66 -7.213 -4.134 1.503 1.00 0.00 H new ATOM 0 HA ALA A 66 -9.574 -4.740 0.140 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -9.081 -2.610 -1.073 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -8.820 -2.456 0.680 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -7.429 -2.642 -0.414 1.00 0.00 H new ATOM 655 N LEU A 67 -6.939 -5.556 -1.547 1.00 0.00 N ATOM 656 CA LEU A 67 -6.503 -6.161 -2.800 1.00 0.00 C ATOM 657 C LEU A 67 -6.426 -7.682 -2.710 1.00 0.00 C ATOM 658 O LEU A 67 -6.085 -8.340 -3.689 1.00 0.00 O ATOM 659 CB LEU A 67 -5.173 -5.576 -3.305 1.00 0.00 C ATOM 660 CG LEU A 67 -3.955 -5.698 -2.385 1.00 0.00 C ATOM 661 CD1 LEU A 67 -2.682 -5.538 -3.202 1.00 0.00 C ATOM 662 CD2 LEU A 67 -3.991 -4.646 -1.285 1.00 0.00 C ATOM 0 H LEU A 67 -6.226 -5.511 -0.819 1.00 0.00 H new ATOM 0 HA LEU A 67 -7.269 -5.910 -3.534 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -4.930 -6.059 -4.251 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -5.329 -4.519 -3.518 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.975 -6.683 -1.918 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.816 -5.625 -2.546 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.639 -6.315 -3.965 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.678 -4.559 -3.681 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.114 -4.757 -0.647 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.991 -3.652 -1.732 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -4.893 -4.775 -0.687 1.00 0.00 H new ATOM 674 N VAL A 68 -6.725 -8.244 -1.545 1.00 0.00 N ATOM 675 CA VAL A 68 -6.728 -9.696 -1.397 1.00 0.00 C ATOM 676 C VAL A 68 -8.123 -10.223 -1.032 1.00 0.00 C ATOM 677 O VAL A 68 -8.554 -11.265 -1.532 1.00 0.00 O ATOM 678 CB VAL A 68 -5.675 -10.182 -0.364 1.00 0.00 C ATOM 679 CG1 VAL A 68 -5.847 -9.500 0.983 1.00 0.00 C ATOM 680 CG2 VAL A 68 -5.734 -11.693 -0.204 1.00 0.00 C ATOM 0 H VAL A 68 -6.965 -7.726 -0.700 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.451 -10.106 -2.368 1.00 0.00 H new ATOM 0 HB VAL A 68 -4.693 -9.908 -0.750 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.091 -9.868 1.676 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.735 -8.423 0.862 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.839 -9.719 1.378 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -4.988 -12.011 0.524 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -6.726 -11.984 0.142 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -5.531 -12.169 -1.163 1.00 0.00 H new ATOM 690 N SER A 69 -8.828 -9.506 -0.163 1.00 0.00 N ATOM 691 CA SER A 69 -10.183 -9.878 0.234 1.00 0.00 C ATOM 692 C SER A 69 -10.930 -8.647 0.739 1.00 0.00 C ATOM 693 O SER A 69 -10.429 -7.929 1.605 1.00 0.00 O ATOM 694 CB SER A 69 -10.142 -10.948 1.332 1.00 0.00 C ATOM 695 OG SER A 69 -9.392 -12.081 0.920 1.00 0.00 O ATOM 0 H SER A 69 -8.481 -8.657 0.283 1.00 0.00 H new ATOM 0 HA SER A 69 -10.703 -10.285 -0.633 1.00 0.00 H new ATOM 0 HB2 SER A 69 -9.702 -10.527 2.236 1.00 0.00 H new ATOM 0 HB3 SER A 69 -11.158 -11.253 1.583 1.00 0.00 H new ATOM 0 HG SER A 69 -9.381 -12.746 1.640 1.00 0.00 H new ATOM 701 N ALA A 70 -12.130 -8.416 0.208 1.00 0.00 N ATOM 702 CA ALA A 70 -12.908 -7.223 0.547 1.00 0.00 C ATOM 703 C ALA A 70 -13.121 -7.099 2.054 1.00 0.00 C ATOM 704 O ALA A 70 -13.689 -7.993 2.681 1.00 0.00 O ATOM 705 CB ALA A 70 -14.249 -7.256 -0.162 1.00 0.00 C ATOM 0 H ALA A 70 -12.586 -9.039 -0.459 1.00 0.00 H new ATOM 0 HA ALA A 70 -12.341 -6.353 0.215 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -14.820 -6.364 0.097 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -14.090 -7.285 -1.240 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -14.802 -8.143 0.147 1.00 0.00 H new ATOM 711 N PRO A 71 -12.669 -5.980 2.644 1.00 0.00 N ATOM 712 CA PRO A 71 -12.776 -5.738 4.089 1.00 0.00 C ATOM 713 C PRO A 71 -14.215 -5.794 4.590 1.00 0.00 C ATOM 714 O PRO A 71 -15.128 -5.255 3.958 1.00 0.00 O ATOM 715 CB PRO A 71 -12.219 -4.322 4.260 1.00 0.00 C ATOM 716 CG PRO A 71 -11.354 -4.103 3.070 1.00 0.00 C ATOM 717 CD PRO A 71 -11.997 -4.868 1.951 1.00 0.00 C ATOM 0 HA PRO A 71 -12.243 -6.498 4.660 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -13.021 -3.585 4.306 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -11.649 -4.231 5.185 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -11.283 -3.043 2.828 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -10.340 -4.457 3.253 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -12.706 -4.252 1.398 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -11.259 -5.228 1.234 1.00 0.00 H new ATOM 725 N SER A 72 -14.405 -6.445 5.729 1.00 0.00 N ATOM 726 CA SER A 72 -15.712 -6.533 6.352 1.00 0.00 C ATOM 727 C SER A 72 -15.977 -5.306 7.219 1.00 0.00 C ATOM 728 O SER A 72 -17.115 -5.033 7.598 1.00 0.00 O ATOM 729 CB SER A 72 -15.811 -7.820 7.175 1.00 0.00 C ATOM 730 OG SER A 72 -14.618 -8.055 7.907 1.00 0.00 O ATOM 0 H SER A 72 -13.663 -6.922 6.241 1.00 0.00 H new ATOM 0 HA SER A 72 -16.475 -6.561 5.574 1.00 0.00 H new ATOM 0 HB2 SER A 72 -16.655 -7.751 7.862 1.00 0.00 H new ATOM 0 HB3 SER A 72 -16.007 -8.664 6.513 1.00 0.00 H new ATOM 0 HG SER A 72 -14.709 -8.882 8.425 1.00 0.00 H new ATOM 736 N ALA A 73 -14.914 -4.575 7.529 1.00 0.00 N ATOM 737 CA ALA A 73 -15.029 -3.326 8.264 1.00 0.00 C ATOM 738 C ALA A 73 -15.764 -2.289 7.425 1.00 0.00 C ATOM 739 O ALA A 73 -15.522 -2.175 6.223 1.00 0.00 O ATOM 740 CB ALA A 73 -13.651 -2.812 8.648 1.00 0.00 C ATOM 0 H ALA A 73 -13.958 -4.829 7.280 1.00 0.00 H new ATOM 0 HA ALA A 73 -15.599 -3.507 9.175 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -13.752 -1.876 9.198 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -13.149 -3.549 9.275 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -13.062 -2.642 7.747 1.00 0.00 H new ATOM 746 N GLU A 74 -16.659 -1.550 8.060 1.00 0.00 N ATOM 747 CA GLU A 74 -17.458 -0.551 7.367 1.00 0.00 C ATOM 748 C GLU A 74 -16.637 0.709 7.101 1.00 0.00 C ATOM 749 O GLU A 74 -15.811 1.108 7.926 1.00 0.00 O ATOM 750 CB GLU A 74 -18.726 -0.204 8.166 1.00 0.00 C ATOM 751 CG GLU A 74 -18.471 0.313 9.578 1.00 0.00 C ATOM 752 CD GLU A 74 -18.152 -0.788 10.568 1.00 0.00 C ATOM 753 OE1 GLU A 74 -19.091 -1.312 11.205 1.00 0.00 O ATOM 754 OE2 GLU A 74 -16.962 -1.140 10.714 1.00 0.00 O ATOM 0 H GLU A 74 -16.851 -1.623 9.059 1.00 0.00 H new ATOM 0 HA GLU A 74 -17.764 -0.975 6.410 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -19.291 0.548 7.615 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -19.354 -1.093 8.228 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -17.644 1.022 9.554 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -19.349 0.859 9.922 1.00 0.00 H new ATOM 761 N PRO A 75 -16.839 1.350 5.938 1.00 0.00 N ATOM 762 CA PRO A 75 -17.757 0.867 4.899 1.00 0.00 C ATOM 763 C PRO A 75 -17.212 -0.363 4.180 1.00 0.00 C ATOM 764 O PRO A 75 -16.018 -0.441 3.871 1.00 0.00 O ATOM 765 CB PRO A 75 -17.862 2.050 3.921 1.00 0.00 C ATOM 766 CG PRO A 75 -17.211 3.203 4.609 1.00 0.00 C ATOM 767 CD PRO A 75 -16.203 2.609 5.546 1.00 0.00 C ATOM 0 HA PRO A 75 -18.716 0.561 5.318 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -17.363 1.824 2.979 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -18.903 2.272 3.685 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -16.731 3.867 3.889 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -17.945 3.799 5.152 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -15.243 2.444 5.058 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -16.017 3.254 6.404 1.00 0.00 H new ATOM 775 N HIS A 76 -18.087 -1.328 3.931 1.00 0.00 N ATOM 776 CA HIS A 76 -17.698 -2.554 3.256 1.00 0.00 C ATOM 777 C HIS A 76 -17.424 -2.256 1.786 1.00 0.00 C ATOM 778 O HIS A 76 -18.243 -1.635 1.110 1.00 0.00 O ATOM 779 CB HIS A 76 -18.804 -3.606 3.389 1.00 0.00 C ATOM 780 CG HIS A 76 -18.351 -5.013 3.122 1.00 0.00 C ATOM 781 ND1 HIS A 76 -18.497 -6.032 4.039 1.00 0.00 N ATOM 782 CD2 HIS A 76 -17.766 -5.572 2.034 1.00 0.00 C ATOM 783 CE1 HIS A 76 -18.020 -7.152 3.530 1.00 0.00 C ATOM 784 NE2 HIS A 76 -17.573 -6.900 2.315 1.00 0.00 N ATOM 0 H HIS A 76 -19.073 -1.283 4.188 1.00 0.00 H new ATOM 0 HA HIS A 76 -16.793 -2.948 3.717 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -19.219 -3.555 4.395 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -19.610 -3.359 2.698 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -17.502 -5.066 1.117 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -17.999 -8.112 4.024 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -17.152 -7.583 1.686 1.00 0.00 H new ATOM 793 N ALA A 77 -16.264 -2.687 1.312 1.00 0.00 N ATOM 794 CA ALA A 77 -15.856 -2.444 -0.064 1.00 0.00 C ATOM 795 C ALA A 77 -16.855 -3.035 -1.053 1.00 0.00 C ATOM 796 O ALA A 77 -17.186 -4.218 -0.980 1.00 0.00 O ATOM 797 CB ALA A 77 -14.469 -3.020 -0.306 1.00 0.00 C ATOM 0 H ALA A 77 -15.585 -3.210 1.864 1.00 0.00 H new ATOM 0 HA ALA A 77 -15.829 -1.366 -0.223 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -14.172 -2.833 -1.338 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -13.755 -2.546 0.368 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -14.484 -4.094 -0.121 1.00 0.00 H new ATOM 803 N ARG A 78 -17.347 -2.197 -1.955 1.00 0.00 N ATOM 804 CA ARG A 78 -18.263 -2.634 -2.996 1.00 0.00 C ATOM 805 C ARG A 78 -17.605 -2.500 -4.363 1.00 0.00 C ATOM 806 O ARG A 78 -16.580 -1.825 -4.503 1.00 0.00 O ATOM 807 CB ARG A 78 -19.559 -1.821 -2.956 1.00 0.00 C ATOM 808 CG ARG A 78 -20.337 -1.967 -1.655 1.00 0.00 C ATOM 809 CD ARG A 78 -20.713 -3.417 -1.388 1.00 0.00 C ATOM 810 NE ARG A 78 -21.503 -3.992 -2.479 1.00 0.00 N ATOM 811 CZ ARG A 78 -21.710 -5.299 -2.646 1.00 0.00 C ATOM 812 NH1 ARG A 78 -21.181 -6.177 -1.803 1.00 0.00 N ATOM 813 NH2 ARG A 78 -22.449 -5.728 -3.660 1.00 0.00 N ATOM 0 H ARG A 78 -17.124 -1.202 -1.985 1.00 0.00 H new ATOM 0 HA ARG A 78 -18.508 -3.681 -2.819 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -19.321 -0.768 -3.110 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -20.196 -2.129 -3.786 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -19.738 -1.587 -0.827 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -21.240 -1.358 -1.700 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -19.807 -4.006 -1.248 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -21.280 -3.479 -0.459 1.00 0.00 H new ATOM 0 HE ARG A 78 -21.922 -3.352 -3.154 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -20.612 -5.854 -1.021 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -21.344 -7.175 -1.937 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -22.859 -5.059 -4.312 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -22.608 -6.727 -3.788 1.00 0.00 H new ATOM 827 N ASN A 79 -18.189 -3.163 -5.359 1.00 0.00 N ATOM 828 CA ASN A 79 -17.679 -3.141 -6.731 1.00 0.00 C ATOM 829 C ASN A 79 -16.232 -3.606 -6.782 1.00 0.00 C ATOM 830 O ASN A 79 -15.427 -3.105 -7.563 1.00 0.00 O ATOM 831 CB ASN A 79 -17.813 -1.744 -7.349 1.00 0.00 C ATOM 832 CG ASN A 79 -19.258 -1.310 -7.478 1.00 0.00 C ATOM 833 OD1 ASN A 79 -19.942 -1.673 -8.436 1.00 0.00 O ATOM 834 ND2 ASN A 79 -19.727 -0.504 -6.538 1.00 0.00 N ATOM 0 H ASN A 79 -19.028 -3.730 -5.239 1.00 0.00 H new ATOM 0 HA ASN A 79 -18.283 -3.833 -7.318 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -17.273 -1.024 -6.734 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -17.345 -1.738 -8.333 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -20.686 -0.161 -6.592 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -19.129 -0.226 -5.760 1.00 0.00 H new ATOM 841 N TYR A 80 -15.914 -4.574 -5.942 1.00 0.00 N ATOM 842 CA TYR A 80 -14.566 -5.100 -5.856 1.00 0.00 C ATOM 843 C TYR A 80 -14.452 -6.377 -6.671 1.00 0.00 C ATOM 844 O TYR A 80 -15.415 -7.136 -6.784 1.00 0.00 O ATOM 845 CB TYR A 80 -14.208 -5.382 -4.392 1.00 0.00 C ATOM 846 CG TYR A 80 -15.058 -6.461 -3.750 1.00 0.00 C ATOM 847 CD1 TYR A 80 -14.614 -7.777 -3.690 1.00 0.00 C ATOM 848 CD2 TYR A 80 -16.302 -6.165 -3.209 1.00 0.00 C ATOM 849 CE1 TYR A 80 -15.386 -8.765 -3.110 1.00 0.00 C ATOM 850 CE2 TYR A 80 -17.079 -7.147 -2.626 1.00 0.00 C ATOM 851 CZ TYR A 80 -16.616 -8.443 -2.579 1.00 0.00 C ATOM 852 OH TYR A 80 -17.384 -9.423 -1.993 1.00 0.00 O ATOM 0 H TYR A 80 -16.578 -5.014 -5.305 1.00 0.00 H new ATOM 0 HA TYR A 80 -13.872 -4.361 -6.257 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -13.160 -5.676 -4.334 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -14.313 -4.461 -3.818 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -13.649 -8.031 -4.104 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -16.668 -5.150 -3.245 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -15.028 -9.783 -3.073 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -18.044 -6.900 -2.209 1.00 0.00 H new ATOM 0 HH TYR A 80 -18.221 -9.031 -1.667 1.00 0.00 H new ATOM 862 N PRO A 81 -13.288 -6.619 -7.277 1.00 0.00 N ATOM 863 CA PRO A 81 -13.012 -7.893 -7.925 1.00 0.00 C ATOM 864 C PRO A 81 -12.774 -8.975 -6.879 1.00 0.00 C ATOM 865 O PRO A 81 -12.121 -8.727 -5.864 1.00 0.00 O ATOM 866 CB PRO A 81 -11.741 -7.610 -8.729 1.00 0.00 C ATOM 867 CG PRO A 81 -11.063 -6.501 -7.999 1.00 0.00 C ATOM 868 CD PRO A 81 -12.158 -5.677 -7.380 1.00 0.00 C ATOM 0 HA PRO A 81 -13.831 -8.253 -8.548 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -11.104 -8.493 -8.785 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -11.978 -7.322 -9.753 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -10.390 -6.891 -7.235 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -10.459 -5.899 -8.678 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -11.866 -5.293 -6.402 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -12.410 -4.816 -7.999 1.00 0.00 H new ATOM 876 N GLU A 82 -13.310 -10.163 -7.113 1.00 0.00 N ATOM 877 CA GLU A 82 -13.178 -11.246 -6.151 1.00 0.00 C ATOM 878 C GLU A 82 -11.722 -11.661 -6.024 1.00 0.00 C ATOM 879 O GLU A 82 -11.072 -11.998 -7.015 1.00 0.00 O ATOM 880 CB GLU A 82 -14.050 -12.437 -6.550 1.00 0.00 C ATOM 881 CG GLU A 82 -15.532 -12.103 -6.590 1.00 0.00 C ATOM 882 CD GLU A 82 -16.405 -13.336 -6.675 1.00 0.00 C ATOM 883 OE1 GLU A 82 -16.815 -13.849 -5.613 1.00 0.00 O ATOM 884 OE2 GLU A 82 -16.687 -13.794 -7.798 1.00 0.00 O ATOM 0 H GLU A 82 -13.836 -10.401 -7.954 1.00 0.00 H new ATOM 0 HA GLU A 82 -13.522 -10.890 -5.180 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -13.738 -12.796 -7.531 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -13.886 -13.252 -5.845 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -15.797 -11.536 -5.698 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -15.733 -11.461 -7.447 1.00 0.00 H new ATOM 891 N GLY A 83 -11.216 -11.620 -4.801 1.00 0.00 N ATOM 892 CA GLY A 83 -9.818 -11.916 -4.563 1.00 0.00 C ATOM 893 C GLY A 83 -8.943 -10.701 -4.784 1.00 0.00 C ATOM 894 O GLY A 83 -7.718 -10.788 -4.712 1.00 0.00 O ATOM 0 H GLY A 83 -11.751 -11.386 -3.965 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -9.691 -12.275 -3.542 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -9.498 -12.720 -5.226 1.00 0.00 H new ATOM 898 N GLY A 84 -9.581 -9.568 -5.062 1.00 0.00 N ATOM 899 CA GLY A 84 -8.858 -8.337 -5.298 1.00 0.00 C ATOM 900 C GLY A 84 -7.961 -8.423 -6.514 1.00 0.00 C ATOM 901 O GLY A 84 -8.438 -8.582 -7.639 1.00 0.00 O ATOM 0 H GLY A 84 -10.595 -9.484 -5.128 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.568 -7.521 -5.430 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -8.256 -8.098 -4.421 1.00 0.00 H new ATOM 905 N TYR A 85 -6.663 -8.329 -6.282 1.00 0.00 N ATOM 906 CA TYR A 85 -5.677 -8.408 -7.347 1.00 0.00 C ATOM 907 C TYR A 85 -4.526 -9.328 -6.952 1.00 0.00 C ATOM 908 O TYR A 85 -3.618 -9.581 -7.745 1.00 0.00 O ATOM 909 CB TYR A 85 -5.153 -7.012 -7.696 1.00 0.00 C ATOM 910 CG TYR A 85 -6.140 -6.174 -8.479 1.00 0.00 C ATOM 911 CD1 TYR A 85 -6.339 -6.404 -9.835 1.00 0.00 C ATOM 912 CD2 TYR A 85 -6.872 -5.159 -7.871 1.00 0.00 C ATOM 913 CE1 TYR A 85 -7.237 -5.650 -10.562 1.00 0.00 C ATOM 914 CE2 TYR A 85 -7.772 -4.403 -8.595 1.00 0.00 C ATOM 915 CZ TYR A 85 -7.952 -4.651 -9.939 1.00 0.00 C ATOM 916 OH TYR A 85 -8.851 -3.899 -10.663 1.00 0.00 O ATOM 0 H TYR A 85 -6.263 -8.196 -5.353 1.00 0.00 H new ATOM 0 HA TYR A 85 -6.160 -8.827 -8.229 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -4.895 -6.489 -6.775 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -4.234 -7.112 -8.274 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -5.781 -7.186 -10.328 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -6.734 -4.960 -6.818 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -7.379 -5.842 -11.615 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -8.334 -3.619 -8.109 1.00 0.00 H new ATOM 0 HH TYR A 85 -8.923 -3.005 -10.268 1.00 0.00 H new ATOM 926 N ILE A 86 -4.571 -9.828 -5.726 1.00 0.00 N ATOM 927 CA ILE A 86 -3.568 -10.763 -5.241 1.00 0.00 C ATOM 928 C ILE A 86 -4.240 -11.810 -4.352 1.00 0.00 C ATOM 929 O ILE A 86 -5.098 -11.484 -3.534 1.00 0.00 O ATOM 930 CB ILE A 86 -2.425 -10.032 -4.486 1.00 0.00 C ATOM 931 CG1 ILE A 86 -1.350 -11.026 -4.039 1.00 0.00 C ATOM 932 CG2 ILE A 86 -2.962 -9.248 -3.296 1.00 0.00 C ATOM 933 CD1 ILE A 86 -0.132 -10.373 -3.421 1.00 0.00 C ATOM 0 H ILE A 86 -5.296 -9.600 -5.046 1.00 0.00 H new ATOM 0 HA ILE A 86 -3.111 -11.262 -6.095 1.00 0.00 H new ATOM 0 HB ILE A 86 -1.971 -9.321 -5.176 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -1.785 -11.717 -3.317 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -1.036 -11.618 -4.899 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -2.138 -8.748 -2.788 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -3.679 -8.504 -3.644 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -3.454 -9.930 -2.603 1.00 0.00 H new ATOM 0 HD11 ILE A 86 0.584 -11.141 -3.130 1.00 0.00 H new ATOM 0 HD12 ILE A 86 0.329 -9.703 -4.147 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.431 -9.804 -2.541 1.00 0.00 H new ATOM 945 N ARG A 87 -3.864 -13.071 -4.537 1.00 0.00 N ATOM 946 CA ARG A 87 -4.567 -14.186 -3.906 1.00 0.00 C ATOM 947 C ARG A 87 -4.238 -14.307 -2.424 1.00 0.00 C ATOM 948 O ARG A 87 -5.000 -14.907 -1.660 1.00 0.00 O ATOM 949 CB ARG A 87 -4.252 -15.498 -4.626 1.00 0.00 C ATOM 950 CG ARG A 87 -4.755 -15.530 -6.059 1.00 0.00 C ATOM 951 CD ARG A 87 -4.547 -16.891 -6.703 1.00 0.00 C ATOM 952 NE ARG A 87 -3.137 -17.205 -6.920 1.00 0.00 N ATOM 953 CZ ARG A 87 -2.714 -18.192 -7.711 1.00 0.00 C ATOM 954 NH1 ARG A 87 -3.591 -18.970 -8.338 1.00 0.00 N ATOM 955 NH2 ARG A 87 -1.416 -18.399 -7.877 1.00 0.00 N ATOM 0 H ARG A 87 -3.074 -13.349 -5.120 1.00 0.00 H new ATOM 0 HA ARG A 87 -5.634 -13.980 -3.989 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -3.174 -15.657 -4.623 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -4.698 -16.325 -4.073 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -5.815 -15.278 -6.077 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -4.237 -14.769 -6.643 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -4.992 -17.659 -6.071 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -5.072 -16.920 -7.658 1.00 0.00 H new ATOM 0 HE ARG A 87 -2.438 -16.638 -6.440 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -4.591 -18.813 -8.215 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -3.264 -19.724 -8.942 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -0.739 -17.803 -7.400 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -1.093 -19.154 -8.482 1.00 0.00 H new ATOM 969 N ARG A 88 -3.104 -13.759 -2.019 1.00 0.00 N ATOM 970 CA ARG A 88 -2.710 -13.786 -0.619 1.00 0.00 C ATOM 971 C ARG A 88 -2.299 -12.399 -0.146 1.00 0.00 C ATOM 972 O ARG A 88 -2.190 -11.473 -0.948 1.00 0.00 O ATOM 973 CB ARG A 88 -1.558 -14.765 -0.393 1.00 0.00 C ATOM 974 CG ARG A 88 -1.918 -16.218 -0.653 1.00 0.00 C ATOM 975 CD ARG A 88 -0.924 -17.149 0.015 1.00 0.00 C ATOM 976 NE ARG A 88 -0.893 -16.936 1.461 1.00 0.00 N ATOM 977 CZ ARG A 88 0.094 -17.331 2.262 1.00 0.00 C ATOM 978 NH1 ARG A 88 1.136 -17.989 1.767 1.00 0.00 N ATOM 979 NH2 ARG A 88 0.031 -17.073 3.561 1.00 0.00 N ATOM 0 H ARG A 88 -2.441 -13.291 -2.637 1.00 0.00 H new ATOM 0 HA ARG A 88 -3.573 -14.118 -0.042 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -0.727 -14.487 -1.040 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -1.208 -14.667 0.635 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -2.921 -16.421 -0.278 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -1.934 -16.406 -1.726 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -1.191 -18.184 -0.198 1.00 0.00 H new ATOM 0 HD3 ARG A 88 0.070 -16.984 -0.401 1.00 0.00 H new ATOM 0 HE ARG A 88 -1.683 -16.451 1.886 1.00 0.00 H new ATOM 0 HH11 ARG A 88 1.183 -18.194 0.769 1.00 0.00 H new ATOM 0 HH12 ARG A 88 1.890 -18.290 2.385 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -0.772 -16.573 3.943 1.00 0.00 H new ATOM 0 HH22 ARG A 88 0.785 -17.374 4.178 1.00 0.00 H new ATOM 993 N LEU A 89 -2.093 -12.261 1.160 1.00 0.00 N ATOM 994 CA LEU A 89 -1.610 -11.010 1.735 1.00 0.00 C ATOM 995 C LEU A 89 -0.272 -10.620 1.116 1.00 0.00 C ATOM 996 O LEU A 89 0.663 -11.424 1.083 1.00 0.00 O ATOM 997 CB LEU A 89 -1.464 -11.128 3.259 1.00 0.00 C ATOM 998 CG LEU A 89 -2.711 -10.784 4.086 1.00 0.00 C ATOM 999 CD1 LEU A 89 -3.125 -9.338 3.854 1.00 0.00 C ATOM 1000 CD2 LEU A 89 -3.859 -11.729 3.764 1.00 0.00 C ATOM 0 H LEU A 89 -2.254 -13.002 1.842 1.00 0.00 H new ATOM 0 HA LEU A 89 -2.343 -10.234 1.515 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -1.166 -12.149 3.497 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -0.651 -10.476 3.577 1.00 0.00 H new ATOM 0 HG LEU A 89 -2.461 -10.906 5.140 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.010 -9.113 4.449 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -2.312 -8.675 4.149 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -3.350 -9.189 2.798 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -4.729 -11.462 4.364 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -4.110 -11.650 2.706 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -3.562 -12.753 3.991 1.00 0.00 H new ATOM 1012 N PRO A 90 -0.167 -9.386 0.610 1.00 0.00 N ATOM 1013 CA PRO A 90 1.045 -8.909 -0.054 1.00 0.00 C ATOM 1014 C PRO A 90 2.212 -8.738 0.916 1.00 0.00 C ATOM 1015 O PRO A 90 2.105 -8.039 1.929 1.00 0.00 O ATOM 1016 CB PRO A 90 0.621 -7.562 -0.643 1.00 0.00 C ATOM 1017 CG PRO A 90 -0.497 -7.107 0.229 1.00 0.00 C ATOM 1018 CD PRO A 90 -1.223 -8.356 0.642 1.00 0.00 C ATOM 0 HA PRO A 90 1.408 -9.615 -0.801 1.00 0.00 H new ATOM 0 HB2 PRO A 90 1.445 -6.849 -0.636 1.00 0.00 H new ATOM 0 HB3 PRO A 90 0.299 -7.666 -1.679 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -0.121 -6.567 1.098 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -1.160 -6.427 -0.307 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -1.660 -8.258 1.636 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -2.038 -8.593 -0.042 1.00 0.00 H new ATOM 1026 N GLN A 91 3.319 -9.391 0.599 1.00 0.00 N ATOM 1027 CA GLN A 91 4.534 -9.294 1.394 1.00 0.00 C ATOM 1028 C GLN A 91 5.719 -8.993 0.488 1.00 0.00 C ATOM 1029 O GLN A 91 5.741 -9.412 -0.672 1.00 0.00 O ATOM 1030 CB GLN A 91 4.792 -10.602 2.141 1.00 0.00 C ATOM 1031 CG GLN A 91 3.665 -11.026 3.069 1.00 0.00 C ATOM 1032 CD GLN A 91 3.931 -12.358 3.735 1.00 0.00 C ATOM 1033 OE1 GLN A 91 3.008 -13.103 4.067 1.00 0.00 O ATOM 1034 NE2 GLN A 91 5.194 -12.672 3.921 1.00 0.00 N ATOM 0 H GLN A 91 3.401 -10.001 -0.214 1.00 0.00 H new ATOM 0 HA GLN A 91 4.409 -8.489 2.119 1.00 0.00 H new ATOM 0 HB2 GLN A 91 4.965 -11.394 1.413 1.00 0.00 H new ATOM 0 HB3 GLN A 91 5.707 -10.499 2.724 1.00 0.00 H new ATOM 0 HG2 GLN A 91 3.523 -10.263 3.834 1.00 0.00 H new ATOM 0 HG3 GLN A 91 2.736 -11.086 2.502 1.00 0.00 H new ATOM 0 HE21 GLN A 91 5.928 -12.026 3.631 1.00 0.00 H new ATOM 0 HE22 GLN A 91 5.440 -13.562 4.355 1.00 0.00 H new ATOM 1043 N ASP A 92 6.700 -8.272 1.017 1.00 0.00 N ATOM 1044 CA ASP A 92 7.905 -7.954 0.261 1.00 0.00 C ATOM 1045 C ASP A 92 8.727 -9.222 0.053 1.00 0.00 C ATOM 1046 O ASP A 92 8.623 -10.173 0.832 1.00 0.00 O ATOM 1047 CB ASP A 92 8.741 -6.856 0.956 1.00 0.00 C ATOM 1048 CG ASP A 92 9.206 -7.207 2.357 1.00 0.00 C ATOM 1049 OD1 ASP A 92 9.862 -8.256 2.536 1.00 0.00 O ATOM 1050 OD2 ASP A 92 8.944 -6.408 3.281 1.00 0.00 O ATOM 0 H ASP A 92 6.685 -7.897 1.965 1.00 0.00 H new ATOM 0 HA ASP A 92 7.609 -7.558 -0.711 1.00 0.00 H new ATOM 0 HB2 ASP A 92 9.615 -6.639 0.341 1.00 0.00 H new ATOM 0 HB3 ASP A 92 8.149 -5.942 1.002 1.00 0.00 H new ATOM 1055 N PRO A 93 9.521 -9.265 -1.034 1.00 0.00 N ATOM 1056 CA PRO A 93 10.317 -10.443 -1.413 1.00 0.00 C ATOM 1057 C PRO A 93 11.289 -10.881 -0.323 1.00 0.00 C ATOM 1058 O PRO A 93 11.810 -12.000 -0.354 1.00 0.00 O ATOM 1059 CB PRO A 93 11.095 -9.975 -2.650 1.00 0.00 C ATOM 1060 CG PRO A 93 11.028 -8.488 -2.612 1.00 0.00 C ATOM 1061 CD PRO A 93 9.707 -8.164 -1.992 1.00 0.00 C ATOM 0 HA PRO A 93 9.679 -11.309 -1.589 1.00 0.00 H new ATOM 0 HB2 PRO A 93 12.127 -10.324 -2.621 1.00 0.00 H new ATOM 0 HB3 PRO A 93 10.652 -10.366 -3.566 1.00 0.00 H new ATOM 0 HG2 PRO A 93 11.849 -8.073 -2.027 1.00 0.00 H new ATOM 0 HG3 PRO A 93 11.106 -8.066 -3.614 1.00 0.00 H new ATOM 0 HD2 PRO A 93 9.720 -7.193 -1.496 1.00 0.00 H new ATOM 0 HD3 PRO A 93 8.908 -8.133 -2.733 1.00 0.00 H new ATOM 1069 N TRP A 94 11.532 -9.996 0.632 1.00 0.00 N ATOM 1070 CA TRP A 94 12.436 -10.283 1.727 1.00 0.00 C ATOM 1071 C TRP A 94 11.737 -11.118 2.793 1.00 0.00 C ATOM 1072 O TRP A 94 12.382 -11.853 3.541 1.00 0.00 O ATOM 1073 CB TRP A 94 12.972 -8.984 2.323 1.00 0.00 C ATOM 1074 CG TRP A 94 13.723 -8.151 1.330 1.00 0.00 C ATOM 1075 CD1 TRP A 94 14.897 -8.475 0.716 1.00 0.00 C ATOM 1076 CD2 TRP A 94 13.360 -6.855 0.841 1.00 0.00 C ATOM 1077 NE1 TRP A 94 15.285 -7.462 -0.125 1.00 0.00 N ATOM 1078 CE2 TRP A 94 14.360 -6.455 -0.064 1.00 0.00 C ATOM 1079 CE3 TRP A 94 12.286 -5.994 1.081 1.00 0.00 C ATOM 1080 CZ2 TRP A 94 14.317 -5.232 -0.728 1.00 0.00 C ATOM 1081 CZ3 TRP A 94 12.246 -4.780 0.422 1.00 0.00 C ATOM 1082 CH2 TRP A 94 13.255 -4.408 -0.473 1.00 0.00 C ATOM 0 H TRP A 94 11.111 -9.068 0.667 1.00 0.00 H new ATOM 0 HA TRP A 94 13.277 -10.859 1.343 1.00 0.00 H new ATOM 0 HB2 TRP A 94 12.140 -8.403 2.721 1.00 0.00 H new ATOM 0 HB3 TRP A 94 13.627 -9.219 3.162 1.00 0.00 H new ATOM 0 HD1 TRP A 94 15.442 -9.395 0.869 1.00 0.00 H new ATOM 0 HE1 TRP A 94 16.126 -7.460 -0.702 1.00 0.00 H new ATOM 0 HE3 TRP A 94 11.501 -6.272 1.769 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 15.095 -4.944 -1.420 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 11.421 -4.106 0.601 1.00 0.00 H new ATOM 0 HH2 TRP A 94 13.194 -3.452 -0.972 1.00 0.00 H new ATOM 1093 N GLY A 95 10.418 -11.004 2.861 1.00 0.00 N ATOM 1094 CA GLY A 95 9.647 -11.853 3.747 1.00 0.00 C ATOM 1095 C GLY A 95 8.818 -11.078 4.752 1.00 0.00 C ATOM 1096 O GLY A 95 8.169 -11.673 5.614 1.00 0.00 O ATOM 0 H GLY A 95 9.868 -10.338 2.318 1.00 0.00 H new ATOM 0 HA2 GLY A 95 8.987 -12.483 3.151 1.00 0.00 H new ATOM 0 HA3 GLY A 95 10.325 -12.518 4.282 1.00 0.00 H new ATOM 1100 N SER A 96 8.822 -9.760 4.648 1.00 0.00 N ATOM 1101 CA SER A 96 8.086 -8.931 5.587 1.00 0.00 C ATOM 1102 C SER A 96 6.758 -8.477 4.984 1.00 0.00 C ATOM 1103 O SER A 96 6.583 -8.472 3.767 1.00 0.00 O ATOM 1104 CB SER A 96 8.929 -7.725 5.989 1.00 0.00 C ATOM 1105 OG SER A 96 10.202 -8.131 6.470 1.00 0.00 O ATOM 0 H SER A 96 9.324 -9.243 3.926 1.00 0.00 H new ATOM 0 HA SER A 96 7.869 -9.523 6.476 1.00 0.00 H new ATOM 0 HB2 SER A 96 9.054 -7.063 5.132 1.00 0.00 H new ATOM 0 HB3 SER A 96 8.410 -7.155 6.760 1.00 0.00 H new ATOM 0 HG SER A 96 10.869 -7.448 6.248 1.00 0.00 H new ATOM 1111 N ASP A 97 5.820 -8.119 5.845 1.00 0.00 N ATOM 1112 CA ASP A 97 4.501 -7.674 5.410 1.00 0.00 C ATOM 1113 C ASP A 97 4.503 -6.165 5.220 1.00 0.00 C ATOM 1114 O ASP A 97 5.084 -5.439 6.029 1.00 0.00 O ATOM 1115 CB ASP A 97 3.440 -8.052 6.451 1.00 0.00 C ATOM 1116 CG ASP A 97 3.325 -9.549 6.674 1.00 0.00 C ATOM 1117 OD1 ASP A 97 4.118 -10.101 7.470 1.00 0.00 O ATOM 1118 OD2 ASP A 97 2.429 -10.178 6.078 1.00 0.00 O ATOM 0 H ASP A 97 5.946 -8.127 6.857 1.00 0.00 H new ATOM 0 HA ASP A 97 4.264 -8.163 4.465 1.00 0.00 H new ATOM 0 HB2 ASP A 97 3.681 -7.568 7.397 1.00 0.00 H new ATOM 0 HB3 ASP A 97 2.473 -7.664 6.132 1.00 0.00 H new ATOM 1123 N TYR A 98 3.860 -5.691 4.152 1.00 0.00 N ATOM 1124 CA TYR A 98 3.751 -4.255 3.913 1.00 0.00 C ATOM 1125 C TYR A 98 2.848 -3.626 4.962 1.00 0.00 C ATOM 1126 O TYR A 98 2.098 -4.323 5.641 1.00 0.00 O ATOM 1127 CB TYR A 98 3.181 -3.948 2.526 1.00 0.00 C ATOM 1128 CG TYR A 98 3.954 -4.549 1.373 1.00 0.00 C ATOM 1129 CD1 TYR A 98 3.370 -5.492 0.542 1.00 0.00 C ATOM 1130 CD2 TYR A 98 5.262 -4.166 1.109 1.00 0.00 C ATOM 1131 CE1 TYR A 98 4.066 -6.040 -0.519 1.00 0.00 C ATOM 1132 CE2 TYR A 98 5.965 -4.710 0.050 1.00 0.00 C ATOM 1133 CZ TYR A 98 5.363 -5.647 -0.761 1.00 0.00 C ATOM 1134 OH TYR A 98 6.057 -6.192 -1.821 1.00 0.00 O ATOM 0 H TYR A 98 3.412 -6.275 3.446 1.00 0.00 H new ATOM 0 HA TYR A 98 4.757 -3.838 3.972 1.00 0.00 H new ATOM 0 HB2 TYR A 98 2.154 -4.309 2.483 1.00 0.00 H new ATOM 0 HB3 TYR A 98 3.144 -2.866 2.395 1.00 0.00 H new ATOM 0 HD1 TYR A 98 2.353 -5.804 0.727 1.00 0.00 H new ATOM 0 HD2 TYR A 98 5.738 -3.431 1.741 1.00 0.00 H new ATOM 0 HE1 TYR A 98 3.594 -6.774 -1.156 1.00 0.00 H new ATOM 0 HE2 TYR A 98 6.982 -4.402 -0.141 1.00 0.00 H new ATOM 0 HH TYR A 98 5.427 -6.614 -2.442 1.00 0.00 H new ATOM 1144 N GLN A 99 2.903 -2.313 5.076 1.00 0.00 N ATOM 1145 CA GLN A 99 2.140 -1.613 6.095 1.00 0.00 C ATOM 1146 C GLN A 99 1.362 -0.449 5.506 1.00 0.00 C ATOM 1147 O GLN A 99 1.802 0.195 4.553 1.00 0.00 O ATOM 1148 CB GLN A 99 3.065 -1.109 7.204 1.00 0.00 C ATOM 1149 CG GLN A 99 3.758 -2.221 7.968 1.00 0.00 C ATOM 1150 CD GLN A 99 2.780 -3.135 8.677 1.00 0.00 C ATOM 1151 OE1 GLN A 99 1.715 -2.705 9.118 1.00 0.00 O ATOM 1152 NE2 GLN A 99 3.126 -4.407 8.775 1.00 0.00 N ATOM 0 H GLN A 99 3.467 -1.709 4.478 1.00 0.00 H new ATOM 0 HA GLN A 99 1.427 -2.322 6.515 1.00 0.00 H new ATOM 0 HB2 GLN A 99 3.819 -0.455 6.767 1.00 0.00 H new ATOM 0 HB3 GLN A 99 2.486 -0.506 7.903 1.00 0.00 H new ATOM 0 HG2 GLN A 99 4.364 -2.808 7.278 1.00 0.00 H new ATOM 0 HG3 GLN A 99 4.439 -1.785 8.699 1.00 0.00 H new ATOM 0 HE21 GLN A 99 4.019 -4.723 8.396 1.00 0.00 H new ATOM 0 HE22 GLN A 99 2.500 -5.072 9.230 1.00 0.00 H new ATOM 1161 N LEU A 100 0.199 -0.200 6.085 1.00 0.00 N ATOM 1162 CA LEU A 100 -0.646 0.917 5.705 1.00 0.00 C ATOM 1163 C LEU A 100 -1.097 1.623 6.977 1.00 0.00 C ATOM 1164 O LEU A 100 -1.671 0.994 7.865 1.00 0.00 O ATOM 1165 CB LEU A 100 -1.846 0.403 4.884 1.00 0.00 C ATOM 1166 CG LEU A 100 -2.827 1.456 4.328 1.00 0.00 C ATOM 1167 CD1 LEU A 100 -3.910 1.785 5.340 1.00 0.00 C ATOM 1168 CD2 LEU A 100 -2.101 2.724 3.923 1.00 0.00 C ATOM 0 H LEU A 100 -0.187 -0.772 6.837 1.00 0.00 H new ATOM 0 HA LEU A 100 -0.101 1.625 5.080 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -1.458 -0.173 4.044 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -2.412 -0.288 5.510 1.00 0.00 H new ATOM 0 HG LEU A 100 -3.295 1.024 3.443 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -4.586 2.530 4.920 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -4.470 0.881 5.581 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -3.453 2.181 6.247 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -2.819 3.446 3.535 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -1.594 3.146 4.791 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -1.367 2.492 3.151 1.00 0.00 H new ATOM 1180 N LEU A 101 -0.808 2.909 7.083 1.00 0.00 N ATOM 1181 CA LEU A 101 -1.142 3.652 8.286 1.00 0.00 C ATOM 1182 C LEU A 101 -2.071 4.816 7.950 1.00 0.00 C ATOM 1183 O LEU A 101 -1.688 5.748 7.241 1.00 0.00 O ATOM 1184 CB LEU A 101 0.154 4.143 8.959 1.00 0.00 C ATOM 1185 CG LEU A 101 0.027 4.689 10.392 1.00 0.00 C ATOM 1186 CD1 LEU A 101 -0.476 6.122 10.395 1.00 0.00 C ATOM 1187 CD2 LEU A 101 -0.891 3.803 11.224 1.00 0.00 C ATOM 0 H LEU A 101 -0.346 3.457 6.357 1.00 0.00 H new ATOM 0 HA LEU A 101 -1.670 3.002 8.984 1.00 0.00 H new ATOM 0 HB2 LEU A 101 0.864 3.316 8.972 1.00 0.00 H new ATOM 0 HB3 LEU A 101 0.586 4.925 8.334 1.00 0.00 H new ATOM 0 HG LEU A 101 1.021 4.681 10.839 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -0.555 6.478 11.422 1.00 0.00 H new ATOM 0 HD12 LEU A 101 0.221 6.754 9.845 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -1.456 6.165 9.920 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -0.968 4.206 12.234 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -1.881 3.775 10.768 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -0.482 2.793 11.266 1.00 0.00 H new ATOM 1199 N SER A 102 -3.306 4.719 8.426 1.00 0.00 N ATOM 1200 CA SER A 102 -4.283 5.788 8.282 1.00 0.00 C ATOM 1201 C SER A 102 -4.527 6.490 9.621 1.00 0.00 C ATOM 1202 O SER A 102 -4.727 5.824 10.642 1.00 0.00 O ATOM 1203 CB SER A 102 -5.589 5.215 7.738 1.00 0.00 C ATOM 1204 OG SER A 102 -5.346 4.439 6.579 1.00 0.00 O ATOM 0 H SER A 102 -3.657 3.899 8.921 1.00 0.00 H new ATOM 0 HA SER A 102 -3.893 6.527 7.582 1.00 0.00 H new ATOM 0 HB2 SER A 102 -6.069 4.601 8.500 1.00 0.00 H new ATOM 0 HB3 SER A 102 -6.278 6.026 7.502 1.00 0.00 H new ATOM 0 HG SER A 102 -6.142 4.447 6.007 1.00 0.00 H new ATOM 1210 N PRO A 103 -4.492 7.835 9.657 1.00 0.00 N ATOM 1211 CA PRO A 103 -4.111 8.661 8.514 1.00 0.00 C ATOM 1212 C PRO A 103 -2.595 8.749 8.385 1.00 0.00 C ATOM 1213 O PRO A 103 -1.876 8.742 9.385 1.00 0.00 O ATOM 1214 CB PRO A 103 -4.709 10.024 8.858 1.00 0.00 C ATOM 1215 CG PRO A 103 -4.708 10.077 10.346 1.00 0.00 C ATOM 1216 CD PRO A 103 -4.843 8.654 10.832 1.00 0.00 C ATOM 0 HA PRO A 103 -4.464 8.264 7.562 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -4.116 10.834 8.433 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -5.719 10.125 8.460 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -3.787 10.526 10.716 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -5.531 10.690 10.712 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -4.175 8.455 11.670 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -5.856 8.445 11.175 1.00 0.00 H new ATOM 1224 N GLY A 104 -2.121 8.831 7.155 1.00 0.00 N ATOM 1225 CA GLY A 104 -0.698 8.783 6.900 1.00 0.00 C ATOM 1226 C GLY A 104 0.053 9.981 7.441 1.00 0.00 C ATOM 1227 O GLY A 104 -0.527 11.037 7.701 1.00 0.00 O ATOM 0 H GLY A 104 -2.700 8.931 6.322 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -0.288 7.876 7.344 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -0.532 8.715 5.825 1.00 0.00 H new ATOM 1231 N GLN A 105 1.350 9.807 7.610 1.00 0.00 N ATOM 1232 CA GLN A 105 2.227 10.874 8.048 1.00 0.00 C ATOM 1233 C GLN A 105 2.812 11.571 6.826 1.00 0.00 C ATOM 1234 O GLN A 105 2.970 12.793 6.800 1.00 0.00 O ATOM 1235 CB GLN A 105 3.341 10.296 8.923 1.00 0.00 C ATOM 1236 CG GLN A 105 4.342 11.329 9.415 1.00 0.00 C ATOM 1237 CD GLN A 105 5.440 10.717 10.258 1.00 0.00 C ATOM 1238 OE1 GLN A 105 5.304 10.579 11.473 1.00 0.00 O ATOM 1239 NE2 GLN A 105 6.540 10.346 9.624 1.00 0.00 N ATOM 0 H GLN A 105 1.825 8.919 7.447 1.00 0.00 H new ATOM 0 HA GLN A 105 1.667 11.600 8.637 1.00 0.00 H new ATOM 0 HB2 GLN A 105 2.892 9.801 9.784 1.00 0.00 H new ATOM 0 HB3 GLN A 105 3.873 9.531 8.357 1.00 0.00 H new ATOM 0 HG2 GLN A 105 4.786 11.836 8.559 1.00 0.00 H new ATOM 0 HG3 GLN A 105 3.820 12.087 9.999 1.00 0.00 H new ATOM 0 HE21 GLN A 105 6.616 10.477 8.615 1.00 0.00 H new ATOM 0 HE22 GLN A 105 7.312 9.929 10.144 1.00 0.00 H new ATOM 1248 N HIS A 106 3.108 10.777 5.804 1.00 0.00 N ATOM 1249 CA HIS A 106 3.612 11.299 4.543 1.00 0.00 C ATOM 1250 C HIS A 106 2.469 11.916 3.752 1.00 0.00 C ATOM 1251 O HIS A 106 2.515 13.090 3.383 1.00 0.00 O ATOM 1252 CB HIS A 106 4.265 10.193 3.705 1.00 0.00 C ATOM 1253 CG HIS A 106 5.453 9.535 4.339 1.00 0.00 C ATOM 1254 ND1 HIS A 106 6.711 10.095 4.348 1.00 0.00 N ATOM 1255 CD2 HIS A 106 5.577 8.336 4.955 1.00 0.00 C ATOM 1256 CE1 HIS A 106 7.555 9.268 4.936 1.00 0.00 C ATOM 1257 NE2 HIS A 106 6.893 8.196 5.315 1.00 0.00 N ATOM 0 H HIS A 106 3.006 9.762 5.826 1.00 0.00 H new ATOM 0 HA HIS A 106 4.365 12.054 4.767 1.00 0.00 H new ATOM 0 HB2 HIS A 106 3.517 9.430 3.492 1.00 0.00 H new ATOM 0 HB3 HIS A 106 4.571 10.616 2.748 1.00 0.00 H new ATOM 0 HD2 HIS A 106 4.786 7.622 5.130 1.00 0.00 H new ATOM 0 HE1 HIS A 106 8.611 9.442 5.081 1.00 0.00 H new ATOM 0 HE2 HIS A 106 7.293 7.392 5.798 1.00 0.00 H new ATOM 1266 N GLY A 107 1.441 11.114 3.510 1.00 0.00 N ATOM 1267 CA GLY A 107 0.284 11.583 2.778 1.00 0.00 C ATOM 1268 C GLY A 107 -0.996 11.376 3.558 1.00 0.00 C ATOM 1269 O GLY A 107 -0.987 11.407 4.787 1.00 0.00 O ATOM 0 H GLY A 107 1.389 10.141 3.810 1.00 0.00 H new ATOM 0 HA2 GLY A 107 0.403 12.642 2.549 1.00 0.00 H new ATOM 0 HA3 GLY A 107 0.219 11.057 1.826 1.00 0.00 H new ATOM 1273 N GLN A 108 -2.103 11.176 2.853 1.00 0.00 N ATOM 1274 CA GLN A 108 -3.377 10.901 3.508 1.00 0.00 C ATOM 1275 C GLN A 108 -3.370 9.481 4.064 1.00 0.00 C ATOM 1276 O GLN A 108 -3.918 9.213 5.134 1.00 0.00 O ATOM 1277 CB GLN A 108 -4.540 11.095 2.532 1.00 0.00 C ATOM 1278 CG GLN A 108 -5.913 11.045 3.191 1.00 0.00 C ATOM 1279 CD GLN A 108 -6.074 12.069 4.302 1.00 0.00 C ATOM 1280 OE1 GLN A 108 -6.474 13.209 4.062 1.00 0.00 O ATOM 1281 NE2 GLN A 108 -5.776 11.665 5.528 1.00 0.00 N ATOM 0 H GLN A 108 -2.145 11.199 1.834 1.00 0.00 H new ATOM 0 HA GLN A 108 -3.512 11.603 4.331 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -4.424 12.055 2.030 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -4.489 10.324 1.763 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -6.680 11.214 2.435 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -6.079 10.047 3.597 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -5.448 10.712 5.685 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -5.875 12.307 6.315 1.00 0.00 H new ATOM 1290 N VAL A 109 -2.733 8.584 3.325 1.00 0.00 N ATOM 1291 CA VAL A 109 -2.526 7.208 3.755 1.00 0.00 C ATOM 1292 C VAL A 109 -1.106 6.777 3.412 1.00 0.00 C ATOM 1293 O VAL A 109 -0.638 6.995 2.291 1.00 0.00 O ATOM 1294 CB VAL A 109 -3.533 6.228 3.106 1.00 0.00 C ATOM 1295 CG1 VAL A 109 -4.882 6.289 3.802 1.00 0.00 C ATOM 1296 CG2 VAL A 109 -3.685 6.518 1.619 1.00 0.00 C ATOM 0 H VAL A 109 -2.343 8.791 2.405 1.00 0.00 H new ATOM 0 HA VAL A 109 -2.686 7.175 4.833 1.00 0.00 H new ATOM 0 HB VAL A 109 -3.139 5.218 3.222 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -5.569 5.590 3.325 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -4.762 6.021 4.852 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -5.284 7.300 3.729 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -4.397 5.818 1.183 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -4.048 7.537 1.482 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -2.719 6.407 1.126 1.00 0.00 H new ATOM 1306 N ASP A 110 -0.420 6.186 4.375 1.00 0.00 N ATOM 1307 CA ASP A 110 0.981 5.821 4.196 1.00 0.00 C ATOM 1308 C ASP A 110 1.150 4.329 3.970 1.00 0.00 C ATOM 1309 O ASP A 110 0.859 3.525 4.857 1.00 0.00 O ATOM 1310 CB ASP A 110 1.810 6.233 5.415 1.00 0.00 C ATOM 1311 CG ASP A 110 2.175 7.700 5.424 1.00 0.00 C ATOM 1312 OD1 ASP A 110 1.692 8.461 4.560 1.00 0.00 O ATOM 1313 OD2 ASP A 110 2.956 8.105 6.311 1.00 0.00 O ATOM 0 H ASP A 110 -0.806 5.948 5.288 1.00 0.00 H new ATOM 0 HA ASP A 110 1.334 6.352 3.312 1.00 0.00 H new ATOM 0 HB2 ASP A 110 1.251 6.000 6.321 1.00 0.00 H new ATOM 0 HB3 ASP A 110 2.723 5.639 5.442 1.00 0.00 H new ATOM 1318 N ILE A 111 1.615 3.963 2.786 1.00 0.00 N ATOM 1319 CA ILE A 111 2.007 2.587 2.515 1.00 0.00 C ATOM 1320 C ILE A 111 3.521 2.493 2.450 1.00 0.00 C ATOM 1321 O ILE A 111 4.173 3.242 1.716 1.00 0.00 O ATOM 1322 CB ILE A 111 1.410 2.030 1.199 1.00 0.00 C ATOM 1323 CG1 ILE A 111 1.546 3.050 0.072 1.00 0.00 C ATOM 1324 CG2 ILE A 111 -0.042 1.626 1.385 1.00 0.00 C ATOM 1325 CD1 ILE A 111 1.042 2.554 -1.263 1.00 0.00 C ATOM 0 H ILE A 111 1.731 4.599 1.997 1.00 0.00 H new ATOM 0 HA ILE A 111 1.611 1.982 3.331 1.00 0.00 H new ATOM 0 HB ILE A 111 1.974 1.138 0.925 1.00 0.00 H new ATOM 0 HG12 ILE A 111 0.999 3.953 0.344 1.00 0.00 H new ATOM 0 HG13 ILE A 111 2.595 3.330 -0.027 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -0.435 1.239 0.445 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -0.110 0.855 2.152 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -0.625 2.495 1.692 1.00 0.00 H new ATOM 0 HD11 ILE A 111 1.172 3.334 -2.013 1.00 0.00 H new ATOM 0 HD12 ILE A 111 1.605 1.669 -1.558 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -0.015 2.301 -1.182 1.00 0.00 H new ATOM 1337 N PHE A 112 4.079 1.589 3.233 1.00 0.00 N ATOM 1338 CA PHE A 112 5.518 1.420 3.285 1.00 0.00 C ATOM 1339 C PHE A 112 5.883 -0.039 3.508 1.00 0.00 C ATOM 1340 O PHE A 112 5.064 -0.836 3.970 1.00 0.00 O ATOM 1341 CB PHE A 112 6.139 2.318 4.368 1.00 0.00 C ATOM 1342 CG PHE A 112 5.482 2.229 5.719 1.00 0.00 C ATOM 1343 CD1 PHE A 112 4.357 2.986 6.010 1.00 0.00 C ATOM 1344 CD2 PHE A 112 5.998 1.402 6.703 1.00 0.00 C ATOM 1345 CE1 PHE A 112 3.760 2.919 7.253 1.00 0.00 C ATOM 1346 CE2 PHE A 112 5.403 1.330 7.948 1.00 0.00 C ATOM 1347 CZ PHE A 112 4.283 2.088 8.223 1.00 0.00 C ATOM 0 H PHE A 112 3.556 0.960 3.842 1.00 0.00 H new ATOM 0 HA PHE A 112 5.929 1.726 2.323 1.00 0.00 H new ATOM 0 HB2 PHE A 112 7.192 2.058 4.475 1.00 0.00 H new ATOM 0 HB3 PHE A 112 6.099 3.353 4.028 1.00 0.00 H new ATOM 0 HD1 PHE A 112 3.942 3.637 5.254 1.00 0.00 H new ATOM 0 HD2 PHE A 112 6.875 0.807 6.495 1.00 0.00 H new ATOM 0 HE1 PHE A 112 2.885 3.516 7.466 1.00 0.00 H new ATOM 0 HE2 PHE A 112 5.815 0.680 8.706 1.00 0.00 H new ATOM 0 HZ PHE A 112 3.817 2.031 9.195 1.00 0.00 H new ATOM 1357 N SER A 113 7.112 -0.374 3.159 1.00 0.00 N ATOM 1358 CA SER A 113 7.586 -1.743 3.213 1.00 0.00 C ATOM 1359 C SER A 113 8.713 -1.870 4.227 1.00 0.00 C ATOM 1360 O SER A 113 9.723 -1.167 4.140 1.00 0.00 O ATOM 1361 CB SER A 113 8.071 -2.154 1.829 1.00 0.00 C ATOM 1362 OG SER A 113 7.177 -1.685 0.835 1.00 0.00 O ATOM 0 H SER A 113 7.808 0.295 2.831 1.00 0.00 H new ATOM 0 HA SER A 113 6.773 -2.399 3.523 1.00 0.00 H new ATOM 0 HB2 SER A 113 9.068 -1.750 1.651 1.00 0.00 H new ATOM 0 HB3 SER A 113 8.152 -3.240 1.772 1.00 0.00 H new ATOM 0 HG SER A 113 6.581 -2.413 0.562 1.00 0.00 H new ATOM 1368 N LEU A 114 8.527 -2.782 5.173 1.00 0.00 N ATOM 1369 CA LEU A 114 9.444 -2.951 6.293 1.00 0.00 C ATOM 1370 C LEU A 114 10.841 -3.334 5.825 1.00 0.00 C ATOM 1371 O LEU A 114 11.841 -2.955 6.444 1.00 0.00 O ATOM 1372 CB LEU A 114 8.922 -4.030 7.239 1.00 0.00 C ATOM 1373 CG LEU A 114 7.496 -3.826 7.751 1.00 0.00 C ATOM 1374 CD1 LEU A 114 7.108 -4.942 8.709 1.00 0.00 C ATOM 1375 CD2 LEU A 114 7.359 -2.475 8.427 1.00 0.00 C ATOM 0 H LEU A 114 7.736 -3.426 5.185 1.00 0.00 H new ATOM 0 HA LEU A 114 9.505 -1.994 6.812 1.00 0.00 H new ATOM 0 HB2 LEU A 114 8.971 -4.991 6.727 1.00 0.00 H new ATOM 0 HB3 LEU A 114 9.592 -4.091 8.097 1.00 0.00 H new ATOM 0 HG LEU A 114 6.819 -3.853 6.897 1.00 0.00 H new ATOM 0 HD11 LEU A 114 6.090 -4.780 9.063 1.00 0.00 H new ATOM 0 HD12 LEU A 114 7.165 -5.900 8.193 1.00 0.00 H new ATOM 0 HD13 LEU A 114 7.791 -4.946 9.558 1.00 0.00 H new ATOM 0 HD21 LEU A 114 6.337 -2.349 8.784 1.00 0.00 H new ATOM 0 HD22 LEU A 114 8.048 -2.418 9.270 1.00 0.00 H new ATOM 0 HD23 LEU A 114 7.594 -1.685 7.713 1.00 0.00 H new ATOM 1387 N GLY A 115 10.895 -4.118 4.754 1.00 0.00 N ATOM 1388 CA GLY A 115 12.161 -4.513 4.191 1.00 0.00 C ATOM 1389 C GLY A 115 12.715 -5.756 4.850 1.00 0.00 C ATOM 1390 O GLY A 115 12.012 -6.427 5.602 1.00 0.00 O ATOM 0 H GLY A 115 10.077 -4.486 4.268 1.00 0.00 H new ATOM 0 HA2 GLY A 115 12.042 -4.693 3.123 1.00 0.00 H new ATOM 0 HA3 GLY A 115 12.876 -3.697 4.299 1.00 0.00 H new ATOM 1394 N PRO A 116 13.992 -6.066 4.609 1.00 0.00 N ATOM 1395 CA PRO A 116 14.639 -7.268 5.144 1.00 0.00 C ATOM 1396 C PRO A 116 14.808 -7.199 6.657 1.00 0.00 C ATOM 1397 O PRO A 116 15.000 -8.215 7.327 1.00 0.00 O ATOM 1398 CB PRO A 116 16.013 -7.289 4.454 1.00 0.00 C ATOM 1399 CG PRO A 116 15.939 -6.268 3.364 1.00 0.00 C ATOM 1400 CD PRO A 116 14.912 -5.264 3.796 1.00 0.00 C ATOM 0 HA PRO A 116 14.047 -8.163 4.956 1.00 0.00 H new ATOM 0 HB2 PRO A 116 16.808 -7.050 5.160 1.00 0.00 H new ATOM 0 HB3 PRO A 116 16.232 -8.277 4.050 1.00 0.00 H new ATOM 0 HG2 PRO A 116 16.908 -5.792 3.211 1.00 0.00 H new ATOM 0 HG3 PRO A 116 15.657 -6.730 2.418 1.00 0.00 H new ATOM 0 HD2 PRO A 116 15.357 -4.453 4.372 1.00 0.00 H new ATOM 0 HD3 PRO A 116 14.407 -4.810 2.943 1.00 0.00 H new ATOM 1408 N ASP A 117 14.730 -5.991 7.190 1.00 0.00 N ATOM 1409 CA ASP A 117 14.925 -5.762 8.614 1.00 0.00 C ATOM 1410 C ASP A 117 13.604 -5.722 9.369 1.00 0.00 C ATOM 1411 O ASP A 117 13.579 -5.791 10.596 1.00 0.00 O ATOM 1412 CB ASP A 117 15.669 -4.445 8.825 1.00 0.00 C ATOM 1413 CG ASP A 117 15.161 -3.341 7.913 1.00 0.00 C ATOM 1414 OD1 ASP A 117 15.991 -2.765 7.176 1.00 0.00 O ATOM 1415 OD2 ASP A 117 13.934 -3.063 7.907 1.00 0.00 O ATOM 0 H ASP A 117 14.531 -5.147 6.654 1.00 0.00 H new ATOM 0 HA ASP A 117 15.511 -6.594 9.006 1.00 0.00 H new ATOM 0 HB2 ASP A 117 15.562 -4.133 9.864 1.00 0.00 H new ATOM 0 HB3 ASP A 117 16.733 -4.599 8.647 1.00 0.00 H new ATOM 1420 N GLY A 118 12.506 -5.616 8.633 1.00 0.00 N ATOM 1421 CA GLY A 118 11.202 -5.589 9.260 1.00 0.00 C ATOM 1422 C GLY A 118 10.922 -4.278 9.982 1.00 0.00 C ATOM 1423 O GLY A 118 9.923 -4.161 10.692 1.00 0.00 O ATOM 0 H GLY A 118 12.496 -5.548 7.615 1.00 0.00 H new ATOM 0 HA2 GLY A 118 10.436 -5.752 8.502 1.00 0.00 H new ATOM 0 HA3 GLY A 118 11.128 -6.413 9.970 1.00 0.00 H new ATOM 1427 N VAL A 119 11.796 -3.290 9.797 1.00 0.00 N ATOM 1428 CA VAL A 119 11.709 -2.042 10.552 1.00 0.00 C ATOM 1429 C VAL A 119 10.910 -0.976 9.805 1.00 0.00 C ATOM 1430 O VAL A 119 11.323 -0.513 8.735 1.00 0.00 O ATOM 1431 CB VAL A 119 13.110 -1.491 10.889 1.00 0.00 C ATOM 1432 CG1 VAL A 119 13.011 -0.193 11.677 1.00 0.00 C ATOM 1433 CG2 VAL A 119 13.912 -2.523 11.665 1.00 0.00 C ATOM 0 H VAL A 119 12.570 -3.329 9.133 1.00 0.00 H new ATOM 0 HA VAL A 119 11.186 -2.279 11.479 1.00 0.00 H new ATOM 0 HB VAL A 119 13.625 -1.279 9.952 1.00 0.00 H new ATOM 0 HG11 VAL A 119 14.013 0.174 11.901 1.00 0.00 H new ATOM 0 HG12 VAL A 119 12.476 0.551 11.087 1.00 0.00 H new ATOM 0 HG13 VAL A 119 12.473 -0.373 12.608 1.00 0.00 H new ATOM 0 HG21 VAL A 119 14.898 -2.119 11.895 1.00 0.00 H new ATOM 0 HG22 VAL A 119 13.393 -2.765 12.593 1.00 0.00 H new ATOM 0 HG23 VAL A 119 14.021 -3.426 11.064 1.00 0.00 H new ATOM 1443 N PRO A 120 9.748 -0.582 10.373 1.00 0.00 N ATOM 1444 CA PRO A 120 8.866 0.434 9.786 1.00 0.00 C ATOM 1445 C PRO A 120 9.378 1.858 9.984 1.00 0.00 C ATOM 1446 O PRO A 120 10.121 2.136 10.931 1.00 0.00 O ATOM 1447 CB PRO A 120 7.558 0.237 10.552 1.00 0.00 C ATOM 1448 CG PRO A 120 7.983 -0.261 11.887 1.00 0.00 C ATOM 1449 CD PRO A 120 9.212 -1.099 11.649 1.00 0.00 C ATOM 0 HA PRO A 120 8.781 0.317 8.706 1.00 0.00 H new ATOM 0 HB2 PRO A 120 7.001 1.171 10.635 1.00 0.00 H new ATOM 0 HB3 PRO A 120 6.907 -0.479 10.050 1.00 0.00 H new ATOM 0 HG2 PRO A 120 8.201 0.568 12.561 1.00 0.00 H new ATOM 0 HG3 PRO A 120 7.193 -0.851 12.352 1.00 0.00 H new ATOM 0 HD2 PRO A 120 9.933 -0.991 12.459 1.00 0.00 H new ATOM 0 HD3 PRO A 120 8.967 -2.159 11.580 1.00 0.00 H new ATOM 1457 N GLU A 121 8.973 2.755 9.079 1.00 0.00 N ATOM 1458 CA GLU A 121 9.292 4.185 9.176 1.00 0.00 C ATOM 1459 C GLU A 121 10.795 4.430 9.099 1.00 0.00 C ATOM 1460 O GLU A 121 11.282 5.510 9.438 1.00 0.00 O ATOM 1461 CB GLU A 121 8.734 4.778 10.473 1.00 0.00 C ATOM 1462 CG GLU A 121 7.217 4.843 10.515 1.00 0.00 C ATOM 1463 CD GLU A 121 6.650 5.763 9.454 1.00 0.00 C ATOM 1464 OE1 GLU A 121 5.781 5.321 8.676 1.00 0.00 O ATOM 1465 OE2 GLU A 121 7.078 6.935 9.393 1.00 0.00 O ATOM 0 H GLU A 121 8.416 2.512 8.260 1.00 0.00 H new ATOM 0 HA GLU A 121 8.822 4.680 8.326 1.00 0.00 H new ATOM 0 HB2 GLU A 121 9.086 4.182 11.315 1.00 0.00 H new ATOM 0 HB3 GLU A 121 9.135 5.783 10.604 1.00 0.00 H new ATOM 0 HG2 GLU A 121 6.809 3.841 10.379 1.00 0.00 H new ATOM 0 HG3 GLU A 121 6.898 5.187 11.499 1.00 0.00 H new ATOM 1472 N SER A 122 11.517 3.432 8.639 1.00 0.00 N ATOM 1473 CA SER A 122 12.959 3.493 8.561 1.00 0.00 C ATOM 1474 C SER A 122 13.422 4.065 7.223 1.00 0.00 C ATOM 1475 O SER A 122 12.602 4.369 6.355 1.00 0.00 O ATOM 1476 CB SER A 122 13.496 2.084 8.765 1.00 0.00 C ATOM 1477 OG SER A 122 12.507 1.130 8.394 1.00 0.00 O ATOM 0 H SER A 122 11.119 2.553 8.308 1.00 0.00 H new ATOM 0 HA SER A 122 13.342 4.159 9.334 1.00 0.00 H new ATOM 0 HB2 SER A 122 14.396 1.939 8.168 1.00 0.00 H new ATOM 0 HB3 SER A 122 13.779 1.941 9.808 1.00 0.00 H new ATOM 0 HG SER A 122 12.168 1.341 7.499 1.00 0.00 H new ATOM 1483 N ASN A 123 14.728 4.228 7.054 1.00 0.00 N ATOM 1484 CA ASN A 123 15.266 4.656 5.767 1.00 0.00 C ATOM 1485 C ASN A 123 15.147 3.518 4.769 1.00 0.00 C ATOM 1486 O ASN A 123 14.848 3.727 3.593 1.00 0.00 O ATOM 1487 CB ASN A 123 16.722 5.113 5.890 1.00 0.00 C ATOM 1488 CG ASN A 123 16.852 6.426 6.637 1.00 0.00 C ATOM 1489 OD1 ASN A 123 16.751 7.501 6.043 1.00 0.00 O ATOM 1490 ND2 ASN A 123 17.089 6.352 7.937 1.00 0.00 N ATOM 0 H ASN A 123 15.427 4.073 7.780 1.00 0.00 H new ATOM 0 HA ASN A 123 14.687 5.511 5.417 1.00 0.00 H new ATOM 0 HB2 ASN A 123 17.299 4.345 6.406 1.00 0.00 H new ATOM 0 HB3 ASN A 123 17.152 5.220 4.894 1.00 0.00 H new ATOM 0 HD21 ASN A 123 17.195 7.205 8.485 1.00 0.00 H new ATOM 0 HD22 ASN A 123 17.165 5.442 8.390 1.00 0.00 H new ATOM 1497 N ASP A 124 15.356 2.306 5.259 1.00 0.00 N ATOM 1498 CA ASP A 124 15.127 1.109 4.474 1.00 0.00 C ATOM 1499 C ASP A 124 13.675 0.701 4.651 1.00 0.00 C ATOM 1500 O ASP A 124 13.351 -0.329 5.267 1.00 0.00 O ATOM 1501 CB ASP A 124 16.074 -0.026 4.884 1.00 0.00 C ATOM 1502 CG ASP A 124 17.530 0.346 4.714 1.00 0.00 C ATOM 1503 OD1 ASP A 124 18.091 0.099 3.628 1.00 0.00 O ATOM 1504 OD2 ASP A 124 18.116 0.901 5.663 1.00 0.00 O ATOM 0 H ASP A 124 15.687 2.128 6.207 1.00 0.00 H new ATOM 0 HA ASP A 124 15.332 1.317 3.424 1.00 0.00 H new ATOM 0 HB2 ASP A 124 15.889 -0.291 5.925 1.00 0.00 H new ATOM 0 HB3 ASP A 124 15.856 -0.911 4.286 1.00 0.00 H new ATOM 1509 N ASP A 125 12.819 1.598 4.207 1.00 0.00 N ATOM 1510 CA ASP A 125 11.378 1.393 4.170 1.00 0.00 C ATOM 1511 C ASP A 125 10.842 1.935 2.856 1.00 0.00 C ATOM 1512 O ASP A 125 10.830 3.147 2.641 1.00 0.00 O ATOM 1513 CB ASP A 125 10.689 2.112 5.333 1.00 0.00 C ATOM 1514 CG ASP A 125 10.334 1.193 6.487 1.00 0.00 C ATOM 1515 OD1 ASP A 125 9.126 0.892 6.647 1.00 0.00 O ATOM 1516 OD2 ASP A 125 11.247 0.808 7.259 1.00 0.00 O ATOM 0 H ASP A 125 13.107 2.510 3.853 1.00 0.00 H new ATOM 0 HA ASP A 125 11.172 0.326 4.258 1.00 0.00 H new ATOM 0 HB2 ASP A 125 11.342 2.905 5.698 1.00 0.00 H new ATOM 0 HB3 ASP A 125 9.781 2.590 4.967 1.00 0.00 H new ATOM 1521 N ILE A 126 10.428 1.046 1.970 1.00 0.00 N ATOM 1522 CA ILE A 126 9.951 1.460 0.658 1.00 0.00 C ATOM 1523 C ILE A 126 8.537 2.016 0.755 1.00 0.00 C ATOM 1524 O ILE A 126 7.569 1.266 0.888 1.00 0.00 O ATOM 1525 CB ILE A 126 9.972 0.302 -0.360 1.00 0.00 C ATOM 1526 CG1 ILE A 126 11.364 -0.344 -0.426 1.00 0.00 C ATOM 1527 CG2 ILE A 126 9.552 0.807 -1.735 1.00 0.00 C ATOM 1528 CD1 ILE A 126 12.465 0.607 -0.847 1.00 0.00 C ATOM 0 H ILE A 126 10.412 0.039 2.131 1.00 0.00 H new ATOM 0 HA ILE A 126 10.631 2.236 0.306 1.00 0.00 H new ATOM 0 HB ILE A 126 9.263 -0.458 -0.032 1.00 0.00 H new ATOM 0 HG12 ILE A 126 11.609 -0.756 0.553 1.00 0.00 H new ATOM 0 HG13 ILE A 126 11.333 -1.180 -1.125 1.00 0.00 H new ATOM 0 HG21 ILE A 126 9.570 -0.018 -2.447 1.00 0.00 H new ATOM 0 HG22 ILE A 126 8.543 1.217 -1.680 1.00 0.00 H new ATOM 0 HG23 ILE A 126 10.242 1.585 -2.063 1.00 0.00 H new ATOM 0 HD11 ILE A 126 13.416 0.075 -0.869 1.00 0.00 H new ATOM 0 HD12 ILE A 126 12.246 1.001 -1.840 1.00 0.00 H new ATOM 0 HD13 ILE A 126 12.526 1.430 -0.136 1.00 0.00 H new ATOM 1540 N GLY A 127 8.434 3.332 0.704 1.00 0.00 N ATOM 1541 CA GLY A 127 7.149 3.988 0.798 1.00 0.00 C ATOM 1542 C GLY A 127 6.720 4.592 -0.519 1.00 0.00 C ATOM 1543 O GLY A 127 7.553 4.843 -1.395 1.00 0.00 O ATOM 0 H GLY A 127 9.227 3.965 0.598 1.00 0.00 H new ATOM 0 HA2 GLY A 127 6.399 3.269 1.128 1.00 0.00 H new ATOM 0 HA3 GLY A 127 7.196 4.770 1.556 1.00 0.00 H new ATOM 1547 N ASN A 128 5.426 4.836 -0.664 1.00 0.00 N ATOM 1548 CA ASN A 128 4.895 5.433 -1.885 1.00 0.00 C ATOM 1549 C ASN A 128 5.366 6.874 -2.023 1.00 0.00 C ATOM 1550 O ASN A 128 5.744 7.318 -3.107 1.00 0.00 O ATOM 1551 CB ASN A 128 3.359 5.365 -1.903 1.00 0.00 C ATOM 1552 CG ASN A 128 2.698 6.090 -0.737 1.00 0.00 C ATOM 1553 OD1 ASN A 128 3.276 6.229 0.345 1.00 0.00 O ATOM 1554 ND2 ASN A 128 1.466 6.531 -0.941 1.00 0.00 N ATOM 0 H ASN A 128 4.723 4.631 0.046 1.00 0.00 H new ATOM 0 HA ASN A 128 5.272 4.863 -2.734 1.00 0.00 H new ATOM 0 HB2 ASN A 128 2.997 5.793 -2.838 1.00 0.00 H new ATOM 0 HB3 ASN A 128 3.051 4.320 -1.891 1.00 0.00 H new ATOM 0 HD21 ASN A 128 0.963 7.004 -0.190 1.00 0.00 H new ATOM 0 HD22 ASN A 128 1.020 6.398 -1.849 1.00 0.00 H new ATOM 1561 N TRP A 129 5.397 7.577 -0.904 1.00 0.00 N ATOM 1562 CA TRP A 129 5.823 8.967 -0.872 1.00 0.00 C ATOM 1563 C TRP A 129 7.302 9.084 -1.219 1.00 0.00 C ATOM 1564 O TRP A 129 7.736 10.072 -1.808 1.00 0.00 O ATOM 1565 CB TRP A 129 5.556 9.541 0.522 1.00 0.00 C ATOM 1566 CG TRP A 129 5.900 10.993 0.670 1.00 0.00 C ATOM 1567 CD1 TRP A 129 5.090 12.055 0.400 1.00 0.00 C ATOM 1568 CD2 TRP A 129 7.136 11.540 1.145 1.00 0.00 C ATOM 1569 NE1 TRP A 129 5.749 13.229 0.664 1.00 0.00 N ATOM 1570 CE2 TRP A 129 7.005 12.940 1.124 1.00 0.00 C ATOM 1571 CE3 TRP A 129 8.340 10.983 1.582 1.00 0.00 C ATOM 1572 CZ2 TRP A 129 8.032 13.789 1.522 1.00 0.00 C ATOM 1573 CZ3 TRP A 129 9.359 11.828 1.979 1.00 0.00 C ATOM 1574 CH2 TRP A 129 9.198 13.217 1.947 1.00 0.00 C ATOM 0 H TRP A 129 5.129 7.202 0.006 1.00 0.00 H new ATOM 0 HA TRP A 129 5.258 9.533 -1.613 1.00 0.00 H new ATOM 0 HB2 TRP A 129 4.502 9.403 0.762 1.00 0.00 H new ATOM 0 HB3 TRP A 129 6.127 8.968 1.253 1.00 0.00 H new ATOM 0 HD1 TRP A 129 4.077 11.983 0.032 1.00 0.00 H new ATOM 0 HE1 TRP A 129 5.365 14.165 0.538 1.00 0.00 H new ATOM 0 HE3 TRP A 129 8.472 9.911 1.609 1.00 0.00 H new ATOM 0 HZ2 TRP A 129 7.912 14.862 1.496 1.00 0.00 H new ATOM 0 HZ3 TRP A 129 10.294 11.409 2.319 1.00 0.00 H new ATOM 0 HH2 TRP A 129 10.013 13.851 2.265 1.00 0.00 H new ATOM 1585 N THR A 130 8.063 8.061 -0.870 1.00 0.00 N ATOM 1586 CA THR A 130 9.497 8.071 -1.092 1.00 0.00 C ATOM 1587 C THR A 130 9.852 7.635 -2.512 1.00 0.00 C ATOM 1588 O THR A 130 10.857 8.075 -3.067 1.00 0.00 O ATOM 1589 CB THR A 130 10.217 7.173 -0.068 1.00 0.00 C ATOM 1590 OG1 THR A 130 9.485 5.957 0.116 1.00 0.00 O ATOM 1591 CG2 THR A 130 10.369 7.880 1.270 1.00 0.00 C ATOM 0 H THR A 130 7.710 7.211 -0.431 1.00 0.00 H new ATOM 0 HA THR A 130 9.836 9.099 -0.960 1.00 0.00 H new ATOM 0 HB THR A 130 11.211 6.949 -0.456 1.00 0.00 H new ATOM 0 HG1 THR A 130 8.992 5.745 -0.704 1.00 0.00 H new ATOM 0 HG21 THR A 130 10.880 7.222 1.973 1.00 0.00 H new ATOM 0 HG22 THR A 130 10.952 8.791 1.136 1.00 0.00 H new ATOM 0 HG23 THR A 130 9.384 8.134 1.661 1.00 0.00 H new ATOM 1599 N ILE A 131 9.023 6.782 -3.109 1.00 0.00 N ATOM 1600 CA ILE A 131 9.299 6.287 -4.455 1.00 0.00 C ATOM 1601 C ILE A 131 8.830 7.289 -5.510 1.00 0.00 C ATOM 1602 O ILE A 131 9.384 7.354 -6.610 1.00 0.00 O ATOM 1603 CB ILE A 131 8.653 4.899 -4.715 1.00 0.00 C ATOM 1604 CG1 ILE A 131 9.171 4.297 -6.023 1.00 0.00 C ATOM 1605 CG2 ILE A 131 7.137 5.000 -4.755 1.00 0.00 C ATOM 1606 CD1 ILE A 131 10.658 4.020 -6.018 1.00 0.00 C ATOM 0 H ILE A 131 8.166 6.423 -2.689 1.00 0.00 H new ATOM 0 HA ILE A 131 10.380 6.168 -4.531 1.00 0.00 H new ATOM 0 HB ILE A 131 8.934 4.244 -3.890 1.00 0.00 H new ATOM 0 HG12 ILE A 131 8.638 3.367 -6.221 1.00 0.00 H new ATOM 0 HG13 ILE A 131 8.940 4.978 -6.842 1.00 0.00 H new ATOM 0 HG21 ILE A 131 6.711 4.013 -4.939 1.00 0.00 H new ATOM 0 HG22 ILE A 131 6.772 5.381 -3.801 1.00 0.00 H new ATOM 0 HG23 ILE A 131 6.839 5.678 -5.554 1.00 0.00 H new ATOM 0 HD11 ILE A 131 10.952 3.594 -6.977 1.00 0.00 H new ATOM 0 HD12 ILE A 131 11.201 4.951 -5.852 1.00 0.00 H new ATOM 0 HD13 ILE A 131 10.894 3.315 -5.221 1.00 0.00 H new ATOM 1618 N GLY A 132 7.817 8.079 -5.170 1.00 0.00 N ATOM 1619 CA GLY A 132 7.337 9.091 -6.088 1.00 0.00 C ATOM 1620 C GLY A 132 5.860 9.378 -5.930 1.00 0.00 C ATOM 1621 O GLY A 132 5.443 10.533 -5.984 1.00 0.00 O ATOM 0 H GLY A 132 7.323 8.036 -4.279 1.00 0.00 H new ATOM 0 HA2 GLY A 132 7.899 10.012 -5.932 1.00 0.00 H new ATOM 0 HA3 GLY A 132 7.532 8.768 -7.111 1.00 0.00 H new