USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 596 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 31 THR OG1 : rot -123:sc= 0.805 USER MOD Set 1.2: B 131 THR OG1 : rot -42:sc= 2.19 USER MOD Set 2.1: A 15 GLN : amide:sc= 0.496! C(o=1.1!,f=-17!) USER MOD Set 2.2: A 18 LYS NZ :NH3+ 135:sc= 0.608 (180deg=0) USER MOD Set 3.1: A 11 SER OG : rot -70:sc= 0.239 USER MOD Set 3.2: B 102 LYS NZ :NH3+ 140:sc= 0.388! (180deg=-0.0785) USER MOD Set 4.1: A 3 GLN : amide:sc= -10.6! C(o=-11!,f=-15!) USER MOD Set 4.2: B 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.1: A 2 LYS NZ :NH3+ -107:sc= 0.158! (180deg=-0.15) USER MOD Set 5.2: B 111 SER OG : rot 180:sc= 1.12 USER MOD Single : A 6 THR OG1 : rot -127:sc= -2.57! USER MOD Single : A 8 THR OG1 : rot 57:sc= 0.0204 USER MOD Single : A 13 SER OG : rot 29:sc= 1.04 USER MOD Single : A 14 TYR OH : rot 151:sc= -0.943! USER MOD Single : A 20 TYR OH : rot 151:sc= -2.07! USER MOD Single : A 23 ASN : amide:sc= -0.615 K(o=-0.61,f=-13!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot -93:sc= 0.624 USER MOD Single : A 30 THR OG1 : rot 109:sc= 1.07 USER MOD Single : A 32 MET CE :methyl -114:sc= -18.8! (180deg=-26.2!) USER MOD Single : A 33 GLN : amide:sc= -0.0653 X(o=-0.065,f=0) USER MOD Single : A 34 ASN : amide:sc= -1.23 X(o=-1.2,f=-1.4!) USER MOD Single : B 103 GLN : amide:sc= -0.0103 X(o=-0.01,f=-0.22) USER MOD Single : B 106 THR OG1 : rot -41:sc= -3.75! USER MOD Single : B 108 THR OG1 : rot 180:sc= 0.0556 USER MOD Single : B 113 SER OG : rot -48:sc= -0.208 USER MOD Single : B 114 TYR OH : rot -120:sc= -0.405 USER MOD Single : B 115 GLN : amide:sc= -3.39! C(o=-3.4!,f=-7!) USER MOD Single : B 120 TYR OH : rot 165:sc= -0.172 USER MOD Single : B 123 ASN : amide:sc= -1.1 K(o=-1.1,f=-4.9!) USER MOD Single : B 125 SER OG : rot 180:sc= 0.018 USER MOD Single : B 129 SER OG : rot -84:sc= -0.178 USER MOD Single : B 130 THR OG1 : rot 104:sc= 0.982 USER MOD Single : B 132 MET CE :methyl -144:sc= -20.8! (180deg=-25!) USER MOD Single : B 133 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 134 ASN : amide:sc= -1.63 K(o=-1.6,f=-2.8!) USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 3.840 -12.421 13.272 1.00 0.00 N ATOM 21 CA LYS A 2 3.160 -11.182 12.885 1.00 0.00 C ATOM 22 C LYS A 2 1.921 -11.478 12.027 1.00 0.00 C ATOM 23 O LYS A 2 1.534 -12.638 11.871 1.00 0.00 O ATOM 24 CB LYS A 2 4.144 -10.263 12.148 1.00 0.00 C ATOM 25 CG LYS A 2 5.252 -9.706 13.038 1.00 0.00 C ATOM 26 CD LYS A 2 4.833 -9.659 14.503 1.00 0.00 C ATOM 27 CE LYS A 2 5.847 -8.919 15.359 1.00 0.00 C ATOM 28 NZ LYS A 2 5.248 -7.726 16.026 1.00 0.00 N ATOM 0 HA LYS A 2 2.814 -10.672 13.784 1.00 0.00 H new ATOM 0 HB2 LYS A 2 4.596 -10.816 11.325 1.00 0.00 H new ATOM 0 HB3 LYS A 2 3.591 -9.432 11.709 1.00 0.00 H new ATOM 0 HG2 LYS A 2 6.145 -10.323 12.935 1.00 0.00 H new ATOM 0 HG3 LYS A 2 5.517 -8.703 12.704 1.00 0.00 H new ATOM 0 HD2 LYS A 2 3.862 -9.171 14.587 1.00 0.00 H new ATOM 0 HD3 LYS A 2 4.713 -10.675 14.879 1.00 0.00 H new ATOM 0 HE2 LYS A 2 6.246 -9.595 16.115 1.00 0.00 H new ATOM 0 HE3 LYS A 2 6.686 -8.605 14.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 5.596 -6.860 15.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 4.212 -7.767 15.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 5.518 -7.718 17.030 1.00 0.00 H new ATOM 42 N GLN A 3 1.287 -10.435 11.486 1.00 0.00 N ATOM 43 CA GLN A 3 0.087 -10.626 10.673 1.00 0.00 C ATOM 44 C GLN A 3 0.257 -10.035 9.276 1.00 0.00 C ATOM 45 O GLN A 3 0.321 -8.818 9.092 1.00 0.00 O ATOM 46 CB GLN A 3 -1.147 -10.048 11.407 1.00 0.00 C ATOM 47 CG GLN A 3 -2.191 -9.405 10.522 1.00 0.00 C ATOM 48 CD GLN A 3 -2.262 -7.939 10.819 1.00 0.00 C ATOM 49 OE1 GLN A 3 -3.199 -7.469 11.457 1.00 0.00 O ATOM 50 NE2 GLN A 3 -1.242 -7.221 10.389 1.00 0.00 N ATOM 0 H GLN A 3 1.580 -9.464 11.594 1.00 0.00 H new ATOM 0 HA GLN A 3 -0.075 -11.695 10.535 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -1.620 -10.851 11.972 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -0.804 -9.308 12.130 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -1.941 -9.563 9.473 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -3.163 -9.869 10.691 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -0.491 -7.667 9.863 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -1.205 -6.220 10.583 1.00 0.00 H new ATOM 59 N ARG A 4 0.345 -10.925 8.297 1.00 0.00 N ATOM 60 CA ARG A 4 0.526 -10.529 6.910 1.00 0.00 C ATOM 61 C ARG A 4 -0.794 -10.174 6.234 1.00 0.00 C ATOM 62 O ARG A 4 -1.636 -11.040 5.997 1.00 0.00 O ATOM 63 CB ARG A 4 1.203 -11.661 6.135 1.00 0.00 C ATOM 64 CG ARG A 4 2.121 -11.179 5.027 1.00 0.00 C ATOM 65 CD ARG A 4 2.770 -12.356 4.306 1.00 0.00 C ATOM 66 NE ARG A 4 4.189 -12.529 4.653 1.00 0.00 N ATOM 67 CZ ARG A 4 4.649 -13.379 5.569 1.00 0.00 C ATOM 68 NH1 ARG A 4 3.818 -14.087 6.306 1.00 0.00 N ATOM 69 NH2 ARG A 4 5.947 -13.506 5.757 1.00 0.00 N ATOM 0 H ARG A 4 0.293 -11.933 8.441 1.00 0.00 H new ATOM 0 HA ARG A 4 1.153 -9.637 6.905 1.00 0.00 H new ATOM 0 HB2 ARG A 4 1.778 -12.272 6.831 1.00 0.00 H new ATOM 0 HB3 ARG A 4 0.435 -12.304 5.705 1.00 0.00 H new ATOM 0 HG2 ARG A 4 1.554 -10.579 4.315 1.00 0.00 H new ATOM 0 HG3 ARG A 4 2.893 -10.533 5.445 1.00 0.00 H new ATOM 0 HD2 ARG A 4 2.228 -13.269 4.551 1.00 0.00 H new ATOM 0 HD3 ARG A 4 2.680 -12.210 3.230 1.00 0.00 H new ATOM 0 HE ARG A 4 4.870 -11.956 4.156 1.00 0.00 H new ATOM 0 HH11 ARG A 4 2.811 -13.987 6.178 1.00 0.00 H new ATOM 0 HH12 ARG A 4 4.181 -14.735 7.005 1.00 0.00 H new ATOM 0 HH21 ARG A 4 6.599 -12.953 5.201 1.00 0.00 H new ATOM 0 HH22 ARG A 4 6.299 -14.157 6.459 1.00 0.00 H new ATOM 83 N ILE A 5 -0.947 -8.905 5.874 1.00 0.00 N ATOM 84 CA ILE A 5 -2.140 -8.464 5.163 1.00 0.00 C ATOM 85 C ILE A 5 -1.781 -8.255 3.723 1.00 0.00 C ATOM 86 O ILE A 5 -0.761 -7.632 3.410 1.00 0.00 O ATOM 87 CB ILE A 5 -2.790 -7.191 5.739 1.00 0.00 C ATOM 88 CG1 ILE A 5 -2.272 -5.908 5.074 1.00 0.00 C ATOM 89 CG2 ILE A 5 -2.587 -7.154 7.244 1.00 0.00 C ATOM 90 CD1 ILE A 5 -0.819 -5.612 5.338 1.00 0.00 C ATOM 0 H ILE A 5 -0.266 -8.169 6.061 1.00 0.00 H new ATOM 0 HA ILE A 5 -2.891 -9.246 5.280 1.00 0.00 H new ATOM 0 HB ILE A 5 -3.857 -7.232 5.519 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -2.425 -5.984 3.997 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -2.871 -5.066 5.422 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -3.047 -6.253 7.651 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -3.048 -8.033 7.695 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -1.520 -7.149 7.467 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -0.538 -4.689 4.831 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -0.660 -5.500 6.410 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -0.207 -6.433 4.964 1.00 0.00 H new ATOM 102 N THR A 6 -2.575 -8.817 2.844 1.00 0.00 N ATOM 103 CA THR A 6 -2.275 -8.714 1.440 1.00 0.00 C ATOM 104 C THR A 6 -3.446 -8.174 0.625 1.00 0.00 C ATOM 105 O THR A 6 -4.549 -8.723 0.645 1.00 0.00 O ATOM 106 CB THR A 6 -1.757 -10.066 0.922 1.00 0.00 C ATOM 107 OG1 THR A 6 -2.281 -10.367 -0.355 1.00 0.00 O ATOM 108 CG2 THR A 6 -2.065 -11.240 1.830 1.00 0.00 C ATOM 0 H THR A 6 -3.420 -9.342 3.072 1.00 0.00 H new ATOM 0 HA THR A 6 -1.484 -7.975 1.311 1.00 0.00 H new ATOM 0 HB THR A 6 -0.675 -9.937 0.884 1.00 0.00 H new ATOM 0 HG1 THR A 6 -2.692 -11.257 -0.339 1.00 0.00 H new ATOM 0 HG21 THR A 6 -1.665 -12.154 1.391 1.00 0.00 H new ATOM 0 HG22 THR A 6 -1.607 -11.075 2.805 1.00 0.00 H new ATOM 0 HG23 THR A 6 -3.144 -11.336 1.947 1.00 0.00 H new ATOM 116 N VAL A 7 -3.161 -7.108 -0.135 1.00 0.00 N ATOM 117 CA VAL A 7 -4.126 -6.471 -1.030 1.00 0.00 C ATOM 118 C VAL A 7 -3.856 -6.943 -2.451 1.00 0.00 C ATOM 119 O VAL A 7 -2.842 -6.557 -3.040 1.00 0.00 O ATOM 120 CB VAL A 7 -4.029 -4.905 -0.984 1.00 0.00 C ATOM 121 CG1 VAL A 7 -2.605 -4.443 -0.845 1.00 0.00 C ATOM 122 CG2 VAL A 7 -4.674 -4.241 -2.206 1.00 0.00 C ATOM 0 H VAL A 7 -2.244 -6.662 -0.143 1.00 0.00 H new ATOM 0 HA VAL A 7 -5.128 -6.751 -0.704 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.588 -4.595 -0.101 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -2.577 -3.354 -0.817 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.182 -4.841 0.077 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -2.022 -4.799 -1.695 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.579 -3.158 -2.124 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -4.173 -4.582 -3.112 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -5.729 -4.510 -2.252 1.00 0.00 H new ATOM 132 N THR A 8 -4.733 -7.769 -3.014 1.00 0.00 N ATOM 133 CA THR A 8 -4.533 -8.237 -4.376 1.00 0.00 C ATOM 134 C THR A 8 -4.762 -7.084 -5.344 1.00 0.00 C ATOM 135 O THR A 8 -5.742 -7.049 -6.087 1.00 0.00 O ATOM 136 CB THR A 8 -5.441 -9.414 -4.690 1.00 0.00 C ATOM 137 OG1 THR A 8 -6.766 -9.172 -4.257 1.00 0.00 O ATOM 138 CG2 THR A 8 -4.965 -10.695 -4.059 1.00 0.00 C ATOM 0 H THR A 8 -5.574 -8.121 -2.556 1.00 0.00 H new ATOM 0 HA THR A 8 -3.507 -8.589 -4.485 1.00 0.00 H new ATOM 0 HB THR A 8 -5.415 -9.524 -5.774 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.103 -8.353 -4.676 1.00 0.00 H new ATOM 0 HG21 THR A 8 -5.650 -11.503 -4.315 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.968 -10.934 -4.428 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.932 -10.577 -2.976 1.00 0.00 H new ATOM 146 N VAL A 9 -3.846 -6.130 -5.280 1.00 0.00 N ATOM 147 CA VAL A 9 -3.885 -4.925 -6.083 1.00 0.00 C ATOM 148 C VAL A 9 -3.453 -5.195 -7.548 1.00 0.00 C ATOM 149 O VAL A 9 -3.837 -6.225 -8.104 1.00 0.00 O ATOM 150 CB VAL A 9 -3.033 -3.848 -5.371 1.00 0.00 C ATOM 151 CG1 VAL A 9 -1.548 -4.177 -5.433 1.00 0.00 C ATOM 152 CG2 VAL A 9 -3.350 -2.446 -5.879 1.00 0.00 C ATOM 0 H VAL A 9 -3.041 -6.176 -4.656 1.00 0.00 H new ATOM 0 HA VAL A 9 -4.907 -4.555 -6.167 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.307 -3.857 -4.316 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -0.981 -3.398 -4.923 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.367 -5.135 -4.947 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.231 -4.233 -6.474 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -2.730 -1.720 -5.353 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -3.145 -2.391 -6.948 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.402 -2.223 -5.699 1.00 0.00 H new ATOM 162 N ASP A 10 -2.737 -4.256 -8.197 1.00 0.00 N ATOM 163 CA ASP A 10 -2.349 -4.385 -9.622 1.00 0.00 C ATOM 164 C ASP A 10 -3.463 -3.828 -10.518 1.00 0.00 C ATOM 165 O ASP A 10 -3.368 -3.812 -11.746 1.00 0.00 O ATOM 166 CB ASP A 10 -2.070 -5.830 -9.996 1.00 0.00 C ATOM 167 CG ASP A 10 -1.089 -5.954 -11.139 1.00 0.00 C ATOM 168 OD1 ASP A 10 -0.051 -5.259 -11.103 1.00 0.00 O ATOM 169 OD2 ASP A 10 -1.359 -6.743 -12.068 1.00 0.00 O ATOM 0 H ASP A 10 -2.413 -3.395 -7.757 1.00 0.00 H new ATOM 0 HA ASP A 10 -1.433 -3.814 -9.771 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -1.678 -6.358 -9.126 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -3.005 -6.318 -10.270 1.00 0.00 H new ATOM 174 N SER A 11 -4.492 -3.333 -9.854 1.00 0.00 N ATOM 175 CA SER A 11 -5.639 -2.713 -10.494 1.00 0.00 C ATOM 176 C SER A 11 -5.878 -1.367 -9.836 1.00 0.00 C ATOM 177 O SER A 11 -5.755 -0.323 -10.473 1.00 0.00 O ATOM 178 CB SER A 11 -6.886 -3.596 -10.367 1.00 0.00 C ATOM 179 OG SER A 11 -6.637 -4.933 -10.802 1.00 0.00 O ATOM 0 H SER A 11 -4.555 -3.351 -8.836 1.00 0.00 H new ATOM 0 HA SER A 11 -5.438 -2.585 -11.558 1.00 0.00 H new ATOM 0 HB2 SER A 11 -7.219 -3.608 -9.329 1.00 0.00 H new ATOM 0 HB3 SER A 11 -7.696 -3.167 -10.957 1.00 0.00 H new ATOM 0 HG SER A 11 -6.519 -4.944 -11.775 1.00 0.00 H new ATOM 185 N ASP A 12 -6.227 -1.420 -8.551 1.00 0.00 N ATOM 186 CA ASP A 12 -6.502 -0.234 -7.755 1.00 0.00 C ATOM 187 C ASP A 12 -5.483 0.891 -8.024 1.00 0.00 C ATOM 188 O ASP A 12 -5.770 1.800 -8.807 1.00 0.00 O ATOM 189 CB ASP A 12 -6.533 -0.627 -6.280 1.00 0.00 C ATOM 190 CG ASP A 12 -7.209 -1.961 -6.037 1.00 0.00 C ATOM 191 OD1 ASP A 12 -6.554 -3.000 -6.261 1.00 0.00 O ATOM 192 OD2 ASP A 12 -8.389 -1.967 -5.636 1.00 0.00 O ATOM 0 H ASP A 12 -6.326 -2.294 -8.034 1.00 0.00 H new ATOM 0 HA ASP A 12 -7.474 0.168 -8.041 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -5.513 -0.668 -5.899 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -7.053 0.146 -5.715 1.00 0.00 H new ATOM 197 N SER A 13 -4.299 0.856 -7.382 1.00 0.00 N ATOM 198 CA SER A 13 -3.274 1.902 -7.589 1.00 0.00 C ATOM 199 C SER A 13 -2.029 1.653 -6.715 1.00 0.00 C ATOM 200 O SER A 13 -1.471 2.579 -6.127 1.00 0.00 O ATOM 201 CB SER A 13 -3.857 3.281 -7.272 1.00 0.00 C ATOM 202 OG SER A 13 -4.453 3.853 -8.422 1.00 0.00 O ATOM 0 H SER A 13 -4.029 0.125 -6.723 1.00 0.00 H new ATOM 0 HA SER A 13 -2.969 1.865 -8.635 1.00 0.00 H new ATOM 0 HB2 SER A 13 -4.599 3.193 -6.478 1.00 0.00 H new ATOM 0 HB3 SER A 13 -3.069 3.937 -6.901 1.00 0.00 H new ATOM 0 HG SER A 13 -4.785 3.140 -9.007 1.00 0.00 H new ATOM 208 N TYR A 14 -1.613 0.388 -6.631 1.00 0.00 N ATOM 209 CA TYR A 14 -0.452 -0.018 -5.824 1.00 0.00 C ATOM 210 C TYR A 14 0.898 0.178 -6.532 1.00 0.00 C ATOM 211 O TYR A 14 1.856 0.660 -5.930 1.00 0.00 O ATOM 212 CB TYR A 14 -0.576 -1.491 -5.465 1.00 0.00 C ATOM 213 CG TYR A 14 0.759 -2.174 -5.375 1.00 0.00 C ATOM 214 CD1 TYR A 14 1.477 -2.154 -4.203 1.00 0.00 C ATOM 215 CD2 TYR A 14 1.318 -2.799 -6.481 1.00 0.00 C ATOM 216 CE1 TYR A 14 2.701 -2.740 -4.119 1.00 0.00 C ATOM 217 CE2 TYR A 14 2.558 -3.386 -6.410 1.00 0.00 C ATOM 218 CZ TYR A 14 3.249 -3.358 -5.221 1.00 0.00 C ATOM 219 OH TYR A 14 4.494 -3.936 -5.136 1.00 0.00 O ATOM 0 H TYR A 14 -2.067 -0.385 -7.118 1.00 0.00 H new ATOM 0 HA TYR A 14 -0.461 0.625 -4.944 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -1.095 -1.587 -4.511 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -1.188 -1.994 -6.213 1.00 0.00 H new ATOM 0 HD1 TYR A 14 1.062 -1.665 -3.334 1.00 0.00 H new ATOM 0 HD2 TYR A 14 0.770 -2.824 -7.411 1.00 0.00 H new ATOM 0 HE1 TYR A 14 3.245 -2.721 -3.186 1.00 0.00 H new ATOM 0 HE2 TYR A 14 2.986 -3.864 -7.279 1.00 0.00 H new ATOM 0 HH TYR A 14 4.549 -4.688 -5.763 1.00 0.00 H new ATOM 229 N GLN A 15 0.999 -0.307 -7.772 1.00 0.00 N ATOM 230 CA GLN A 15 2.274 -0.296 -8.496 1.00 0.00 C ATOM 231 C GLN A 15 3.008 1.050 -8.460 1.00 0.00 C ATOM 232 O GLN A 15 4.233 1.067 -8.396 1.00 0.00 O ATOM 233 CB GLN A 15 2.066 -0.744 -9.946 1.00 0.00 C ATOM 234 CG GLN A 15 1.683 -2.214 -10.090 1.00 0.00 C ATOM 235 CD GLN A 15 2.709 -3.014 -10.872 1.00 0.00 C ATOM 236 OE1 GLN A 15 3.871 -2.621 -10.987 1.00 0.00 O ATOM 237 NE2 GLN A 15 2.296 -4.148 -11.408 1.00 0.00 N ATOM 0 H GLN A 15 0.220 -0.710 -8.293 1.00 0.00 H new ATOM 0 HA GLN A 15 2.918 -1.002 -7.971 1.00 0.00 H new ATOM 0 HB2 GLN A 15 1.287 -0.130 -10.398 1.00 0.00 H new ATOM 0 HB3 GLN A 15 2.982 -0.561 -10.508 1.00 0.00 H new ATOM 0 HG2 GLN A 15 1.565 -2.653 -9.099 1.00 0.00 H new ATOM 0 HG3 GLN A 15 0.716 -2.286 -10.588 1.00 0.00 H new ATOM 0 HE21 GLN A 15 1.326 -4.443 -11.293 1.00 0.00 H new ATOM 0 HE22 GLN A 15 2.947 -4.729 -11.937 1.00 0.00 H new ATOM 246 N LEU A 16 2.297 2.168 -8.506 1.00 0.00 N ATOM 247 CA LEU A 16 2.960 3.479 -8.476 1.00 0.00 C ATOM 248 C LEU A 16 3.771 3.690 -7.187 1.00 0.00 C ATOM 249 O LEU A 16 4.946 4.048 -7.238 1.00 0.00 O ATOM 250 CB LEU A 16 1.940 4.601 -8.604 1.00 0.00 C ATOM 251 CG LEU A 16 2.017 5.405 -9.900 1.00 0.00 C ATOM 252 CD1 LEU A 16 0.649 5.954 -10.269 1.00 0.00 C ATOM 253 CD2 LEU A 16 3.025 6.533 -9.757 1.00 0.00 C ATOM 0 H LEU A 16 1.279 2.203 -8.563 1.00 0.00 H new ATOM 0 HA LEU A 16 3.646 3.499 -9.323 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.941 4.174 -8.519 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.067 5.284 -7.764 1.00 0.00 H new ATOM 0 HG LEU A 16 2.346 4.744 -10.702 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.723 6.524 -11.195 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.049 5.128 -10.406 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.290 6.604 -9.471 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.072 7.099 -10.687 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.720 7.193 -8.945 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.008 6.117 -9.536 1.00 0.00 H new ATOM 265 N LEU A 17 3.117 3.503 -6.043 1.00 0.00 N ATOM 266 CA LEU A 17 3.781 3.713 -4.742 1.00 0.00 C ATOM 267 C LEU A 17 5.118 2.980 -4.670 1.00 0.00 C ATOM 268 O LEU A 17 6.134 3.543 -4.259 1.00 0.00 O ATOM 269 CB LEU A 17 2.887 3.268 -3.602 1.00 0.00 C ATOM 270 CG LEU A 17 2.454 4.370 -2.637 1.00 0.00 C ATOM 271 CD1 LEU A 17 3.535 4.614 -1.610 1.00 0.00 C ATOM 272 CD2 LEU A 17 2.124 5.653 -3.383 1.00 0.00 C ATOM 0 H LEU A 17 2.142 3.211 -5.981 1.00 0.00 H new ATOM 0 HA LEU A 17 3.972 4.782 -4.646 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.994 2.806 -4.023 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.408 2.496 -3.035 1.00 0.00 H new ATOM 0 HG LEU A 17 1.550 4.042 -2.125 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.217 5.401 -0.927 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.717 3.698 -1.048 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.453 4.919 -2.113 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.819 6.420 -2.671 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.004 5.994 -3.928 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.312 5.467 -4.086 1.00 0.00 H new ATOM 284 N LYS A 18 5.112 1.735 -5.101 1.00 0.00 N ATOM 285 CA LYS A 18 6.329 0.923 -5.118 1.00 0.00 C ATOM 286 C LYS A 18 7.199 1.318 -6.308 1.00 0.00 C ATOM 287 O LYS A 18 8.423 1.177 -6.279 1.00 0.00 O ATOM 288 CB LYS A 18 5.975 -0.557 -5.177 1.00 0.00 C ATOM 289 CG LYS A 18 5.008 -0.858 -6.294 1.00 0.00 C ATOM 290 CD LYS A 18 5.522 -1.973 -7.193 1.00 0.00 C ATOM 291 CE LYS A 18 5.332 -1.632 -8.659 1.00 0.00 C ATOM 292 NZ LYS A 18 5.798 -2.725 -9.557 1.00 0.00 N ATOM 0 H LYS A 18 4.280 1.256 -5.446 1.00 0.00 H new ATOM 0 HA LYS A 18 6.890 1.103 -4.201 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.884 -1.143 -5.315 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.539 -0.865 -4.226 1.00 0.00 H new ATOM 0 HG2 LYS A 18 4.043 -1.143 -5.874 1.00 0.00 H new ATOM 0 HG3 LYS A 18 4.844 0.042 -6.887 1.00 0.00 H new ATOM 0 HD2 LYS A 18 6.579 -2.147 -6.992 1.00 0.00 H new ATOM 0 HD3 LYS A 18 4.997 -2.900 -6.962 1.00 0.00 H new ATOM 0 HE2 LYS A 18 4.278 -1.432 -8.850 1.00 0.00 H new ATOM 0 HE3 LYS A 18 5.877 -0.717 -8.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 5.092 -2.886 -10.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 6.704 -2.455 -9.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 5.924 -3.597 -9.005 1.00 0.00 H new ATOM 306 N ALA A 19 6.543 1.848 -7.334 1.00 0.00 N ATOM 307 CA ALA A 19 7.220 2.320 -8.535 1.00 0.00 C ATOM 308 C ALA A 19 8.167 3.455 -8.175 1.00 0.00 C ATOM 309 O ALA A 19 9.195 3.641 -8.830 1.00 0.00 O ATOM 310 CB ALA A 19 6.219 2.780 -9.587 1.00 0.00 C ATOM 0 H ALA A 19 5.530 1.962 -7.356 1.00 0.00 H new ATOM 0 HA ALA A 19 7.790 1.493 -8.958 1.00 0.00 H new ATOM 0 HB1 ALA A 19 6.754 3.126 -10.471 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.569 1.948 -9.859 1.00 0.00 H new ATOM 0 HB3 ALA A 19 5.617 3.595 -9.185 1.00 0.00 H new ATOM 316 N TYR A 20 7.833 4.202 -7.111 1.00 0.00 N ATOM 317 CA TYR A 20 8.692 5.282 -6.673 1.00 0.00 C ATOM 318 C TYR A 20 9.733 4.743 -5.691 1.00 0.00 C ATOM 319 O TYR A 20 10.904 5.090 -5.827 1.00 0.00 O ATOM 320 CB TYR A 20 7.892 6.513 -6.158 1.00 0.00 C ATOM 321 CG TYR A 20 7.294 6.461 -4.765 1.00 0.00 C ATOM 322 CD1 TYR A 20 7.988 5.995 -3.660 1.00 0.00 C ATOM 323 CD2 TYR A 20 5.997 6.909 -4.571 1.00 0.00 C ATOM 324 CE1 TYR A 20 7.397 5.968 -2.414 1.00 0.00 C ATOM 325 CE2 TYR A 20 5.399 6.883 -3.352 1.00 0.00 C ATOM 326 CZ TYR A 20 6.099 6.408 -2.262 1.00 0.00 C ATOM 327 OH TYR A 20 5.498 6.345 -1.028 1.00 0.00 O ATOM 0 H TYR A 20 6.988 4.072 -6.555 1.00 0.00 H new ATOM 0 HA TYR A 20 9.238 5.675 -7.531 1.00 0.00 H new ATOM 0 HB2 TYR A 20 8.553 7.379 -6.202 1.00 0.00 H new ATOM 0 HB3 TYR A 20 7.079 6.696 -6.860 1.00 0.00 H new ATOM 0 HD1 TYR A 20 9.004 5.649 -3.776 1.00 0.00 H new ATOM 0 HD2 TYR A 20 5.444 7.291 -5.416 1.00 0.00 H new ATOM 0 HE1 TYR A 20 7.949 5.603 -1.560 1.00 0.00 H new ATOM 0 HE2 TYR A 20 4.383 7.231 -3.237 1.00 0.00 H new ATOM 0 HH TYR A 20 4.828 7.056 -0.954 1.00 0.00 H new ATOM 337 N ASP A 21 9.323 3.846 -4.751 1.00 0.00 N ATOM 338 CA ASP A 21 10.281 3.217 -3.800 1.00 0.00 C ATOM 339 C ASP A 21 9.635 2.766 -2.488 1.00 0.00 C ATOM 340 O ASP A 21 10.341 2.511 -1.511 1.00 0.00 O ATOM 341 CB ASP A 21 11.439 4.164 -3.444 1.00 0.00 C ATOM 342 CG ASP A 21 12.798 3.577 -3.779 1.00 0.00 C ATOM 343 OD1 ASP A 21 12.958 3.027 -4.889 1.00 0.00 O ATOM 344 OD2 ASP A 21 13.705 3.669 -2.927 1.00 0.00 O ATOM 0 H ASP A 21 8.355 3.547 -4.633 1.00 0.00 H new ATOM 0 HA ASP A 21 10.650 2.340 -4.331 1.00 0.00 H new ATOM 0 HB2 ASP A 21 11.312 5.105 -3.980 1.00 0.00 H new ATOM 0 HB3 ASP A 21 11.400 4.396 -2.380 1.00 0.00 H new ATOM 349 N VAL A 22 8.314 2.694 -2.432 1.00 0.00 N ATOM 350 CA VAL A 22 7.649 2.324 -1.202 1.00 0.00 C ATOM 351 C VAL A 22 6.313 1.670 -1.454 1.00 0.00 C ATOM 352 O VAL A 22 5.300 2.353 -1.567 1.00 0.00 O ATOM 353 CB VAL A 22 7.424 3.591 -0.364 1.00 0.00 C ATOM 354 CG1 VAL A 22 6.551 3.317 0.855 1.00 0.00 C ATOM 355 CG2 VAL A 22 8.750 4.204 0.048 1.00 0.00 C ATOM 0 H VAL A 22 7.691 2.885 -3.217 1.00 0.00 H new ATOM 0 HA VAL A 22 8.283 1.607 -0.680 1.00 0.00 H new ATOM 0 HB VAL A 22 6.891 4.307 -0.990 1.00 0.00 H new ATOM 0 HG11 VAL A 22 6.416 4.239 1.421 1.00 0.00 H new ATOM 0 HG12 VAL A 22 5.579 2.945 0.530 1.00 0.00 H new ATOM 0 HG13 VAL A 22 7.032 2.571 1.487 1.00 0.00 H new ATOM 0 HG21 VAL A 22 8.568 5.100 0.641 1.00 0.00 H new ATOM 0 HG22 VAL A 22 9.314 3.485 0.642 1.00 0.00 H new ATOM 0 HG23 VAL A 22 9.321 4.468 -0.842 1.00 0.00 H new ATOM 365 N ASN A 23 6.300 0.348 -1.537 1.00 0.00 N ATOM 366 CA ASN A 23 5.051 -0.356 -1.739 1.00 0.00 C ATOM 367 C ASN A 23 4.126 0.017 -0.572 1.00 0.00 C ATOM 368 O ASN A 23 3.437 1.034 -0.624 1.00 0.00 O ATOM 369 CB ASN A 23 5.290 -1.877 -1.841 1.00 0.00 C ATOM 370 CG ASN A 23 6.267 -2.408 -0.800 1.00 0.00 C ATOM 371 OD1 ASN A 23 5.953 -2.461 0.389 1.00 0.00 O ATOM 372 ND2 ASN A 23 7.453 -2.799 -1.237 1.00 0.00 N ATOM 0 H ASN A 23 7.126 -0.247 -1.469 1.00 0.00 H new ATOM 0 HA ASN A 23 4.583 -0.067 -2.680 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.337 -2.395 -1.732 1.00 0.00 H new ATOM 0 HB3 ASN A 23 5.668 -2.112 -2.836 1.00 0.00 H new ATOM 0 HD21 ASN A 23 8.145 -3.160 -0.580 1.00 0.00 H new ATOM 0 HD22 ASN A 23 7.675 -2.739 -2.231 1.00 0.00 H new ATOM 379 N ILE A 24 4.113 -0.776 0.486 1.00 0.00 N ATOM 380 CA ILE A 24 3.266 -0.443 1.621 1.00 0.00 C ATOM 381 C ILE A 24 3.816 -0.826 2.986 1.00 0.00 C ATOM 382 O ILE A 24 3.166 -0.536 3.989 1.00 0.00 O ATOM 383 CB ILE A 24 1.836 -0.975 1.487 1.00 0.00 C ATOM 384 CG1 ILE A 24 1.747 -1.987 0.371 1.00 0.00 C ATOM 385 CG2 ILE A 24 0.873 0.177 1.242 1.00 0.00 C ATOM 386 CD1 ILE A 24 2.770 -3.075 0.526 1.00 0.00 C ATOM 0 H ILE A 24 4.661 -1.630 0.584 1.00 0.00 H new ATOM 0 HA ILE A 24 3.253 0.646 1.582 1.00 0.00 H new ATOM 0 HB ILE A 24 1.560 -1.471 2.417 1.00 0.00 H new ATOM 0 HG12 ILE A 24 0.749 -2.425 0.356 1.00 0.00 H new ATOM 0 HG13 ILE A 24 1.890 -1.486 -0.587 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -0.141 -0.211 1.148 1.00 0.00 H new ATOM 0 HG22 ILE A 24 0.919 0.874 2.079 1.00 0.00 H new ATOM 0 HG23 ILE A 24 1.150 0.694 0.323 1.00 0.00 H new ATOM 0 HD11 ILE A 24 2.674 -3.784 -0.296 1.00 0.00 H new ATOM 0 HD12 ILE A 24 3.769 -2.639 0.515 1.00 0.00 H new ATOM 0 HD13 ILE A 24 2.610 -3.593 1.472 1.00 0.00 H new ATOM 398 N SER A 25 4.981 -1.474 3.048 1.00 0.00 N ATOM 399 CA SER A 25 5.536 -1.865 4.356 1.00 0.00 C ATOM 400 C SER A 25 5.284 -0.740 5.373 1.00 0.00 C ATOM 401 O SER A 25 4.506 -0.901 6.331 1.00 0.00 O ATOM 402 CB SER A 25 7.038 -2.126 4.230 1.00 0.00 C ATOM 403 OG SER A 25 7.464 -3.157 5.105 1.00 0.00 O ATOM 0 H SER A 25 5.547 -1.735 2.240 1.00 0.00 H new ATOM 0 HA SER A 25 5.048 -2.778 4.697 1.00 0.00 H new ATOM 0 HB2 SER A 25 7.275 -2.399 3.202 1.00 0.00 H new ATOM 0 HB3 SER A 25 7.587 -1.211 4.451 1.00 0.00 H new ATOM 0 HG SER A 25 8.428 -3.300 4.998 1.00 0.00 H new ATOM 409 N GLY A 26 5.898 0.420 5.125 1.00 0.00 N ATOM 410 CA GLY A 26 5.698 1.573 5.986 1.00 0.00 C ATOM 411 C GLY A 26 4.481 2.385 5.575 1.00 0.00 C ATOM 412 O GLY A 26 3.848 3.022 6.414 1.00 0.00 O ATOM 0 H GLY A 26 6.531 0.578 4.341 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.580 1.240 7.017 1.00 0.00 H new ATOM 0 HA3 GLY A 26 6.584 2.207 5.955 1.00 0.00 H new ATOM 416 N LEU A 27 4.149 2.348 4.279 1.00 0.00 N ATOM 417 CA LEU A 27 3.003 3.060 3.745 1.00 0.00 C ATOM 418 C LEU A 27 1.723 2.626 4.447 1.00 0.00 C ATOM 419 O LEU A 27 1.059 3.435 5.084 1.00 0.00 O ATOM 420 CB LEU A 27 2.889 2.762 2.256 1.00 0.00 C ATOM 421 CG LEU A 27 2.514 3.919 1.349 1.00 0.00 C ATOM 422 CD1 LEU A 27 1.545 3.415 0.299 1.00 0.00 C ATOM 423 CD2 LEU A 27 1.917 5.067 2.142 1.00 0.00 C ATOM 0 H LEU A 27 4.672 1.822 3.579 1.00 0.00 H new ATOM 0 HA LEU A 27 3.141 4.129 3.909 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.844 2.361 1.917 1.00 0.00 H new ATOM 0 HB3 LEU A 27 2.148 1.974 2.124 1.00 0.00 H new ATOM 0 HG LEU A 27 3.409 4.305 0.862 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.265 4.236 -0.362 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.019 2.625 -0.284 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.653 3.021 0.786 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.658 5.881 1.465 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.020 4.725 2.658 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.644 5.421 2.874 1.00 0.00 H new ATOM 435 N VAL A 28 1.388 1.335 4.337 1.00 0.00 N ATOM 436 CA VAL A 28 0.192 0.807 4.983 1.00 0.00 C ATOM 437 C VAL A 28 0.189 1.185 6.458 1.00 0.00 C ATOM 438 O VAL A 28 -0.657 1.936 6.899 1.00 0.00 O ATOM 439 CB VAL A 28 0.081 -0.726 4.819 1.00 0.00 C ATOM 440 CG1 VAL A 28 -0.691 -1.358 5.967 1.00 0.00 C ATOM 441 CG2 VAL A 28 -0.589 -1.048 3.501 1.00 0.00 C ATOM 0 H VAL A 28 1.926 0.646 3.811 1.00 0.00 H new ATOM 0 HA VAL A 28 -0.676 1.251 4.495 1.00 0.00 H new ATOM 0 HB VAL A 28 1.088 -1.143 4.831 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.748 -2.436 5.817 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -0.181 -1.149 6.907 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.698 -0.942 6.001 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.667 -2.129 3.387 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.586 -0.609 3.483 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.003 -0.638 2.682 1.00 0.00 H new ATOM 451 N SER A 29 1.162 0.688 7.203 1.00 0.00 N ATOM 452 CA SER A 29 1.283 0.993 8.624 1.00 0.00 C ATOM 453 C SER A 29 1.186 2.502 8.903 1.00 0.00 C ATOM 454 O SER A 29 0.561 2.908 9.885 1.00 0.00 O ATOM 455 CB SER A 29 2.615 0.457 9.133 1.00 0.00 C ATOM 456 OG SER A 29 3.667 0.741 8.219 1.00 0.00 O ATOM 0 H SER A 29 1.887 0.066 6.846 1.00 0.00 H new ATOM 0 HA SER A 29 0.454 0.515 9.146 1.00 0.00 H new ATOM 0 HB2 SER A 29 2.842 0.901 10.102 1.00 0.00 H new ATOM 0 HB3 SER A 29 2.542 -0.620 9.285 1.00 0.00 H new ATOM 0 HG SER A 29 3.782 -0.016 7.607 1.00 0.00 H new ATOM 462 N THR A 30 1.779 3.332 8.042 1.00 0.00 N ATOM 463 CA THR A 30 1.723 4.778 8.217 1.00 0.00 C ATOM 464 C THR A 30 0.329 5.262 7.907 1.00 0.00 C ATOM 465 O THR A 30 -0.340 5.864 8.750 1.00 0.00 O ATOM 466 CB THR A 30 2.716 5.482 7.292 1.00 0.00 C ATOM 467 OG1 THR A 30 4.044 5.136 7.628 1.00 0.00 O ATOM 468 CG2 THR A 30 2.598 6.991 7.332 1.00 0.00 C ATOM 0 H THR A 30 2.301 3.025 7.221 1.00 0.00 H new ATOM 0 HA THR A 30 1.985 5.011 9.249 1.00 0.00 H new ATOM 0 HB THR A 30 2.470 5.145 6.285 1.00 0.00 H new ATOM 0 HG1 THR A 30 4.419 4.560 6.929 1.00 0.00 H new ATOM 0 HG21 THR A 30 3.329 7.431 6.654 1.00 0.00 H new ATOM 0 HG22 THR A 30 1.595 7.286 7.024 1.00 0.00 H new ATOM 0 HG23 THR A 30 2.785 7.344 8.346 1.00 0.00 H new ATOM 476 N THR A 31 -0.107 4.982 6.687 1.00 0.00 N ATOM 477 CA THR A 31 -1.422 5.377 6.257 1.00 0.00 C ATOM 478 C THR A 31 -2.471 4.862 7.242 1.00 0.00 C ATOM 479 O THR A 31 -3.401 5.580 7.621 1.00 0.00 O ATOM 480 CB THR A 31 -1.721 4.883 4.842 1.00 0.00 C ATOM 481 OG1 THR A 31 -0.944 5.592 3.888 1.00 0.00 O ATOM 482 CG2 THR A 31 -3.175 5.046 4.478 1.00 0.00 C ATOM 0 H THR A 31 0.438 4.482 5.984 1.00 0.00 H new ATOM 0 HA THR A 31 -1.459 6.466 6.237 1.00 0.00 H new ATOM 0 HB THR A 31 -1.469 3.823 4.828 1.00 0.00 H new ATOM 0 HG1 THR A 31 -1.537 6.011 3.230 1.00 0.00 H new ATOM 0 HG21 THR A 31 -3.339 4.681 3.464 1.00 0.00 H new ATOM 0 HG22 THR A 31 -3.790 4.475 5.173 1.00 0.00 H new ATOM 0 HG23 THR A 31 -3.448 6.100 4.533 1.00 0.00 H new ATOM 490 N MET A 32 -2.291 3.610 7.666 1.00 0.00 N ATOM 491 CA MET A 32 -3.177 2.963 8.614 1.00 0.00 C ATOM 492 C MET A 32 -3.293 3.751 9.909 1.00 0.00 C ATOM 493 O MET A 32 -4.383 4.127 10.297 1.00 0.00 O ATOM 494 CB MET A 32 -2.676 1.550 8.908 1.00 0.00 C ATOM 495 CG MET A 32 -2.837 0.601 7.737 1.00 0.00 C ATOM 496 SD MET A 32 -4.547 0.169 7.445 1.00 0.00 S ATOM 497 CE MET A 32 -4.338 -1.349 6.557 1.00 0.00 C ATOM 0 H MET A 32 -1.520 3.019 7.355 1.00 0.00 H new ATOM 0 HA MET A 32 -4.169 2.917 8.165 1.00 0.00 H new ATOM 0 HB2 MET A 32 -1.623 1.596 9.187 1.00 0.00 H new ATOM 0 HB3 MET A 32 -3.217 1.152 9.767 1.00 0.00 H new ATOM 0 HG2 MET A 32 -2.422 1.061 6.840 1.00 0.00 H new ATOM 0 HG3 MET A 32 -2.262 -0.306 7.925 1.00 0.00 H new ATOM 0 HE1 MET A 32 -4.692 -1.224 5.534 1.00 0.00 H new ATOM 0 HE2 MET A 32 -3.283 -1.621 6.545 1.00 0.00 H new ATOM 0 HE3 MET A 32 -4.911 -2.138 7.045 1.00 0.00 H new ATOM 507 N GLN A 33 -2.169 4.004 10.575 1.00 0.00 N ATOM 508 CA GLN A 33 -2.192 4.760 11.829 1.00 0.00 C ATOM 509 C GLN A 33 -2.908 6.099 11.644 1.00 0.00 C ATOM 510 O GLN A 33 -3.657 6.535 12.518 1.00 0.00 O ATOM 511 CB GLN A 33 -0.769 4.966 12.357 1.00 0.00 C ATOM 512 CG GLN A 33 -0.522 6.335 12.990 1.00 0.00 C ATOM 513 CD GLN A 33 0.455 6.289 14.151 1.00 0.00 C ATOM 514 OE1 GLN A 33 0.223 6.898 15.193 1.00 0.00 O ATOM 515 NE2 GLN A 33 1.554 5.568 13.978 1.00 0.00 N ATOM 0 H GLN A 33 -1.242 3.703 10.275 1.00 0.00 H new ATOM 0 HA GLN A 33 -2.749 4.183 12.568 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -0.553 4.194 13.095 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -0.066 4.827 11.536 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -0.141 7.016 12.229 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -1.471 6.744 13.338 1.00 0.00 H new ATOM 0 HE21 GLN A 33 1.709 5.077 13.097 1.00 0.00 H new ATOM 0 HE22 GLN A 33 2.245 5.504 14.726 1.00 0.00 H new ATOM 524 N ASN A 34 -2.687 6.738 10.497 1.00 0.00 N ATOM 525 CA ASN A 34 -3.328 8.016 10.196 1.00 0.00 C ATOM 526 C ASN A 34 -4.832 7.824 10.004 1.00 0.00 C ATOM 527 O ASN A 34 -5.634 8.471 10.684 1.00 0.00 O ATOM 528 CB ASN A 34 -2.668 8.654 8.959 1.00 0.00 C ATOM 529 CG ASN A 34 -3.645 9.051 7.874 1.00 0.00 C ATOM 530 OD1 ASN A 34 -4.556 9.844 8.100 1.00 0.00 O ATOM 531 ND2 ASN A 34 -3.446 8.506 6.686 1.00 0.00 N ATOM 0 H ASN A 34 -2.070 6.392 9.762 1.00 0.00 H new ATOM 0 HA ASN A 34 -3.192 8.697 11.036 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -2.111 9.537 9.272 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -1.945 7.952 8.543 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -4.063 8.739 5.908 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -2.675 7.852 6.547 1.00 0.00 H new ATOM 538 N GLU A 35 -5.215 6.905 9.117 1.00 0.00 N ATOM 539 CA GLU A 35 -6.628 6.623 8.893 1.00 0.00 C ATOM 540 C GLU A 35 -7.239 5.962 10.131 1.00 0.00 C ATOM 541 O GLU A 35 -8.435 6.112 10.397 1.00 0.00 O ATOM 542 CB GLU A 35 -6.822 5.751 7.651 1.00 0.00 C ATOM 543 CG GLU A 35 -7.607 6.446 6.542 1.00 0.00 C ATOM 544 CD GLU A 35 -7.049 7.814 6.187 1.00 0.00 C ATOM 545 OE1 GLU A 35 -6.027 7.869 5.469 1.00 0.00 O ATOM 546 OE2 GLU A 35 -7.635 8.827 6.626 1.00 0.00 O ATOM 0 H GLU A 35 -4.574 6.351 8.550 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.145 7.566 8.717 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.846 5.457 7.266 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.341 4.836 7.936 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.603 5.816 5.652 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -8.646 6.553 6.852 1.00 0.00 H new ATOM 553 N ALA A 36 -6.403 5.281 10.925 1.00 0.00 N ATOM 554 CA ALA A 36 -6.838 4.658 12.165 1.00 0.00 C ATOM 555 C ALA A 36 -7.104 5.757 13.179 1.00 0.00 C ATOM 556 O ALA A 36 -8.121 5.759 13.867 1.00 0.00 O ATOM 557 CB ALA A 36 -5.768 3.699 12.679 1.00 0.00 C ATOM 0 H ALA A 36 -5.412 5.151 10.720 1.00 0.00 H new ATOM 0 HA ALA A 36 -7.747 4.081 11.998 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.107 3.240 13.608 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.587 2.923 11.935 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.844 4.248 12.862 1.00 0.00 H new ATOM 563 N ARG A 37 -6.185 6.723 13.220 1.00 0.00 N ATOM 564 CA ARG A 37 -6.318 7.879 14.090 1.00 0.00 C ATOM 565 C ARG A 37 -7.573 8.627 13.721 1.00 0.00 C ATOM 566 O ARG A 37 -8.397 8.963 14.570 1.00 0.00 O ATOM 567 CB ARG A 37 -5.154 8.833 13.897 1.00 0.00 C ATOM 568 CG ARG A 37 -4.262 8.970 15.112 1.00 0.00 C ATOM 569 CD ARG A 37 -5.003 9.600 16.279 1.00 0.00 C ATOM 570 NE ARG A 37 -4.219 9.551 17.517 1.00 0.00 N ATOM 571 CZ ARG A 37 -4.083 8.471 18.283 1.00 0.00 C ATOM 572 NH1 ARG A 37 -4.663 7.334 17.950 1.00 0.00 N ATOM 573 NH2 ARG A 37 -3.356 8.532 19.381 1.00 0.00 N ATOM 0 H ARG A 37 -5.337 6.721 12.654 1.00 0.00 H new ATOM 0 HA ARG A 37 -6.345 7.529 15.122 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -4.553 8.491 13.055 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -5.543 9.816 13.632 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -3.890 7.988 15.404 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -3.393 9.578 14.860 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -5.240 10.637 16.041 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -5.951 9.082 16.429 1.00 0.00 H new ATOM 0 HE ARG A 37 -3.745 10.404 17.812 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -5.222 7.277 17.099 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -4.553 6.512 18.544 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -2.899 9.406 19.642 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -3.251 7.706 19.969 1.00 0.00 H new ATOM 587 N ARG A 38 -7.682 8.896 12.426 1.00 0.00 N ATOM 588 CA ARG A 38 -8.814 9.623 11.889 1.00 0.00 C ATOM 589 C ARG A 38 -10.138 8.927 12.238 1.00 0.00 C ATOM 590 O ARG A 38 -11.006 9.535 12.861 1.00 0.00 O ATOM 591 CB ARG A 38 -8.684 9.779 10.370 1.00 0.00 C ATOM 592 CG ARG A 38 -9.625 10.820 9.781 1.00 0.00 C ATOM 593 CD ARG A 38 -8.994 12.202 9.781 1.00 0.00 C ATOM 594 NE ARG A 38 -8.386 12.526 8.486 1.00 0.00 N ATOM 595 CZ ARG A 38 -8.988 13.211 7.514 1.00 0.00 C ATOM 596 NH1 ARG A 38 -10.236 13.622 7.650 1.00 0.00 N ATOM 597 NH2 ARG A 38 -8.334 13.469 6.400 1.00 0.00 N ATOM 0 H ARG A 38 -6.992 8.617 11.728 1.00 0.00 H new ATOM 0 HA ARG A 38 -8.819 10.613 12.345 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -7.657 10.052 10.128 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -8.878 8.817 9.896 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -9.888 10.539 8.761 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -10.551 10.841 10.355 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -9.752 12.947 10.023 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -8.235 12.255 10.562 1.00 0.00 H new ATOM 0 HE ARG A 38 -7.433 12.204 8.317 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -10.750 13.416 8.506 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -10.685 14.145 6.899 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -7.374 13.145 6.286 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -8.788 13.993 5.652 1.00 0.00 H new ATOM 1184 N LYS B 102 -4.384 -9.450 -11.041 1.00 0.00 N ATOM 1185 CA LYS B 102 -4.287 -8.865 -9.699 1.00 0.00 C ATOM 1186 C LYS B 102 -2.929 -9.189 -9.074 1.00 0.00 C ATOM 1187 O LYS B 102 -2.392 -10.281 -9.274 1.00 0.00 O ATOM 1188 CB LYS B 102 -5.408 -9.390 -8.789 1.00 0.00 C ATOM 1189 CG LYS B 102 -6.806 -9.227 -9.364 1.00 0.00 C ATOM 1190 CD LYS B 102 -7.220 -7.763 -9.424 1.00 0.00 C ATOM 1191 CE LYS B 102 -8.492 -7.576 -10.238 1.00 0.00 C ATOM 1192 NZ LYS B 102 -8.610 -6.193 -10.777 1.00 0.00 N ATOM 0 HA LYS B 102 -4.391 -7.784 -9.797 1.00 0.00 H new ATOM 0 HB2 LYS B 102 -5.232 -10.446 -8.587 1.00 0.00 H new ATOM 0 HB3 LYS B 102 -5.358 -8.870 -7.833 1.00 0.00 H new ATOM 0 HG2 LYS B 102 -6.841 -9.657 -10.365 1.00 0.00 H new ATOM 0 HG3 LYS B 102 -7.518 -9.782 -8.754 1.00 0.00 H new ATOM 0 HD2 LYS B 102 -7.375 -7.386 -8.413 1.00 0.00 H new ATOM 0 HD3 LYS B 102 -6.415 -7.174 -9.864 1.00 0.00 H new ATOM 0 HE2 LYS B 102 -8.503 -8.289 -11.063 1.00 0.00 H new ATOM 0 HE3 LYS B 102 -9.358 -7.797 -9.614 1.00 0.00 H new ATOM 0 HZ1 LYS B 102 -8.983 -6.229 -11.747 1.00 0.00 H new ATOM 0 HZ2 LYS B 102 -9.256 -5.641 -10.178 1.00 0.00 H new ATOM 0 HZ3 LYS B 102 -7.673 -5.742 -10.783 1.00 0.00 H new ATOM 1206 N GLN B 103 -2.380 -8.246 -8.317 1.00 0.00 N ATOM 1207 CA GLN B 103 -1.091 -8.444 -7.667 1.00 0.00 C ATOM 1208 C GLN B 103 -1.242 -8.476 -6.161 1.00 0.00 C ATOM 1209 O GLN B 103 -1.817 -7.576 -5.558 1.00 0.00 O ATOM 1210 CB GLN B 103 -0.087 -7.350 -8.076 1.00 0.00 C ATOM 1211 CG GLN B 103 1.213 -7.399 -7.287 1.00 0.00 C ATOM 1212 CD GLN B 103 2.441 -7.098 -8.129 1.00 0.00 C ATOM 1213 OE1 GLN B 103 2.386 -6.336 -9.090 1.00 0.00 O ATOM 1214 NE2 GLN B 103 3.566 -7.693 -7.765 1.00 0.00 N ATOM 0 H GLN B 103 -2.808 -7.337 -8.139 1.00 0.00 H new ATOM 0 HA GLN B 103 -0.703 -9.407 -7.998 1.00 0.00 H new ATOM 0 HB2 GLN B 103 0.137 -7.451 -9.138 1.00 0.00 H new ATOM 0 HB3 GLN B 103 -0.550 -6.373 -7.939 1.00 0.00 H new ATOM 0 HG2 GLN B 103 1.159 -6.683 -6.467 1.00 0.00 H new ATOM 0 HG3 GLN B 103 1.321 -8.387 -6.840 1.00 0.00 H new ATOM 0 HE21 GLN B 103 3.574 -8.320 -6.961 1.00 0.00 H new ATOM 0 HE22 GLN B 103 4.425 -7.524 -8.289 1.00 0.00 H new ATOM 1223 N ARG B 104 -0.735 -9.534 -5.559 1.00 0.00 N ATOM 1224 CA ARG B 104 -0.838 -9.705 -4.127 1.00 0.00 C ATOM 1225 C ARG B 104 0.174 -8.844 -3.391 1.00 0.00 C ATOM 1226 O ARG B 104 1.370 -9.142 -3.376 1.00 0.00 O ATOM 1227 CB ARG B 104 -0.602 -11.171 -3.768 1.00 0.00 C ATOM 1228 CG ARG B 104 -1.508 -11.685 -2.669 1.00 0.00 C ATOM 1229 CD ARG B 104 -1.647 -13.194 -2.739 1.00 0.00 C ATOM 1230 NE ARG B 104 -3.042 -13.616 -2.877 1.00 0.00 N ATOM 1231 CZ ARG B 104 -3.766 -13.501 -3.984 1.00 0.00 C ATOM 1232 NH1 ARG B 104 -3.250 -12.986 -5.083 1.00 0.00 N ATOM 1233 NH2 ARG B 104 -5.015 -13.919 -3.988 1.00 0.00 N ATOM 0 H ARG B 104 -0.247 -10.288 -6.042 1.00 0.00 H new ATOM 0 HA ARG B 104 -1.838 -9.397 -3.823 1.00 0.00 H new ATOM 0 HB2 ARG B 104 -0.746 -11.781 -4.660 1.00 0.00 H new ATOM 0 HB3 ARG B 104 0.436 -11.297 -3.459 1.00 0.00 H new ATOM 0 HG2 ARG B 104 -1.106 -11.398 -1.697 1.00 0.00 H new ATOM 0 HG3 ARG B 104 -2.491 -11.221 -2.757 1.00 0.00 H new ATOM 0 HD2 ARG B 104 -1.070 -13.571 -3.583 1.00 0.00 H new ATOM 0 HD3 ARG B 104 -1.222 -13.638 -1.839 1.00 0.00 H new ATOM 0 HE ARG B 104 -3.492 -14.030 -2.061 1.00 0.00 H new ATOM 0 HH11 ARG B 104 -2.281 -12.669 -5.091 1.00 0.00 H new ATOM 0 HH12 ARG B 104 -3.820 -12.905 -5.925 1.00 0.00 H new ATOM 0 HH21 ARG B 104 -5.419 -14.327 -3.145 1.00 0.00 H new ATOM 0 HH22 ARG B 104 -5.578 -13.834 -4.834 1.00 0.00 H new ATOM 1247 N ILE B 105 -0.320 -7.802 -2.736 1.00 0.00 N ATOM 1248 CA ILE B 105 0.539 -6.946 -1.950 1.00 0.00 C ATOM 1249 C ILE B 105 0.374 -7.313 -0.505 1.00 0.00 C ATOM 1250 O ILE B 105 -0.671 -7.068 0.067 1.00 0.00 O ATOM 1251 CB ILE B 105 0.223 -5.450 -2.139 1.00 0.00 C ATOM 1252 CG1 ILE B 105 1.288 -4.848 -2.983 1.00 0.00 C ATOM 1253 CG2 ILE B 105 0.149 -4.696 -0.798 1.00 0.00 C ATOM 1254 CD1 ILE B 105 2.523 -4.588 -2.175 1.00 0.00 C ATOM 0 H ILE B 105 -1.305 -7.536 -2.737 1.00 0.00 H new ATOM 0 HA ILE B 105 1.565 -7.097 -2.285 1.00 0.00 H new ATOM 0 HB ILE B 105 -0.754 -5.365 -2.615 1.00 0.00 H new ATOM 0 HG12 ILE B 105 1.524 -5.517 -3.811 1.00 0.00 H new ATOM 0 HG13 ILE B 105 0.930 -3.915 -3.418 1.00 0.00 H new ATOM 0 HG21 ILE B 105 -0.076 -3.646 -0.983 1.00 0.00 H new ATOM 0 HG22 ILE B 105 -0.635 -5.131 -0.179 1.00 0.00 H new ATOM 0 HG23 ILE B 105 1.106 -4.777 -0.282 1.00 0.00 H new ATOM 0 HD11 ILE B 105 3.289 -4.147 -2.813 1.00 0.00 H new ATOM 0 HD12 ILE B 105 2.288 -3.901 -1.362 1.00 0.00 H new ATOM 0 HD13 ILE B 105 2.891 -5.527 -1.761 1.00 0.00 H new ATOM 1266 N THR B 106 1.383 -7.924 0.075 1.00 0.00 N ATOM 1267 CA THR B 106 1.300 -8.344 1.456 1.00 0.00 C ATOM 1268 C THR B 106 2.332 -7.623 2.323 1.00 0.00 C ATOM 1269 O THR B 106 3.532 -7.882 2.215 1.00 0.00 O ATOM 1270 CB THR B 106 1.428 -9.885 1.556 1.00 0.00 C ATOM 1271 OG1 THR B 106 2.478 -10.287 2.420 1.00 0.00 O ATOM 1272 CG2 THR B 106 1.654 -10.574 0.220 1.00 0.00 C ATOM 0 H THR B 106 2.267 -8.140 -0.386 1.00 0.00 H new ATOM 0 HA THR B 106 0.321 -8.065 1.845 1.00 0.00 H new ATOM 0 HB THR B 106 0.462 -10.194 1.956 1.00 0.00 H new ATOM 0 HG1 THR B 106 3.260 -9.715 2.272 1.00 0.00 H new ATOM 0 HG21 THR B 106 1.733 -11.650 0.374 1.00 0.00 H new ATOM 0 HG22 THR B 106 0.816 -10.363 -0.444 1.00 0.00 H new ATOM 0 HG23 THR B 106 2.575 -10.203 -0.229 1.00 0.00 H new ATOM 1280 N VAL B 107 1.846 -6.811 3.255 1.00 0.00 N ATOM 1281 CA VAL B 107 2.706 -6.140 4.236 1.00 0.00 C ATOM 1282 C VAL B 107 2.583 -6.925 5.530 1.00 0.00 C ATOM 1283 O VAL B 107 1.515 -6.948 6.138 1.00 0.00 O ATOM 1284 CB VAL B 107 2.388 -4.601 4.472 1.00 0.00 C ATOM 1285 CG1 VAL B 107 1.117 -4.147 3.767 1.00 0.00 C ATOM 1286 CG2 VAL B 107 2.319 -4.219 5.970 1.00 0.00 C ATOM 0 H VAL B 107 0.854 -6.597 3.356 1.00 0.00 H new ATOM 0 HA VAL B 107 3.724 -6.133 3.846 1.00 0.00 H new ATOM 0 HB VAL B 107 3.233 -4.074 4.028 1.00 0.00 H new ATOM 0 HG11 VAL B 107 0.950 -3.088 3.964 1.00 0.00 H new ATOM 0 HG12 VAL B 107 1.220 -4.305 2.693 1.00 0.00 H new ATOM 0 HG13 VAL B 107 0.269 -4.723 4.138 1.00 0.00 H new ATOM 0 HG21 VAL B 107 2.099 -3.156 6.065 1.00 0.00 H new ATOM 0 HG22 VAL B 107 1.534 -4.797 6.457 1.00 0.00 H new ATOM 0 HG23 VAL B 107 3.276 -4.435 6.445 1.00 0.00 H new ATOM 1296 N THR B 108 3.638 -7.595 5.952 1.00 0.00 N ATOM 1297 CA THR B 108 3.559 -8.363 7.181 1.00 0.00 C ATOM 1298 C THR B 108 3.470 -7.397 8.359 1.00 0.00 C ATOM 1299 O THR B 108 4.484 -6.937 8.876 1.00 0.00 O ATOM 1300 CB THR B 108 4.756 -9.301 7.318 1.00 0.00 C ATOM 1301 OG1 THR B 108 5.903 -8.769 6.692 1.00 0.00 O ATOM 1302 CG2 THR B 108 4.529 -10.663 6.728 1.00 0.00 C ATOM 0 H THR B 108 4.540 -7.625 5.476 1.00 0.00 H new ATOM 0 HA THR B 108 2.667 -8.989 7.164 1.00 0.00 H new ATOM 0 HB THR B 108 4.898 -9.399 8.394 1.00 0.00 H new ATOM 0 HG1 THR B 108 6.652 -9.392 6.799 1.00 0.00 H new ATOM 0 HG21 THR B 108 5.423 -11.272 6.864 1.00 0.00 H new ATOM 0 HG22 THR B 108 3.686 -11.140 7.227 1.00 0.00 H new ATOM 0 HG23 THR B 108 4.313 -10.567 5.664 1.00 0.00 H new ATOM 1310 N VAL B 109 2.243 -7.057 8.751 1.00 0.00 N ATOM 1311 CA VAL B 109 2.024 -6.107 9.846 1.00 0.00 C ATOM 1312 C VAL B 109 1.785 -6.811 11.180 1.00 0.00 C ATOM 1313 O VAL B 109 2.229 -7.944 11.367 1.00 0.00 O ATOM 1314 CB VAL B 109 0.871 -5.117 9.560 1.00 0.00 C ATOM 1315 CG1 VAL B 109 1.403 -3.694 9.495 1.00 0.00 C ATOM 1316 CG2 VAL B 109 0.144 -5.470 8.281 1.00 0.00 C ATOM 0 H VAL B 109 1.388 -7.422 8.331 1.00 0.00 H new ATOM 0 HA VAL B 109 2.947 -5.532 9.918 1.00 0.00 H new ATOM 0 HB VAL B 109 0.155 -5.190 10.379 1.00 0.00 H new ATOM 0 HG11 VAL B 109 0.581 -3.007 9.293 1.00 0.00 H new ATOM 0 HG12 VAL B 109 1.867 -3.435 10.447 1.00 0.00 H new ATOM 0 HG13 VAL B 109 2.143 -3.618 8.698 1.00 0.00 H new ATOM 0 HG21 VAL B 109 -0.660 -4.754 8.110 1.00 0.00 H new ATOM 0 HG22 VAL B 109 0.842 -5.438 7.445 1.00 0.00 H new ATOM 0 HG23 VAL B 109 -0.275 -6.473 8.365 1.00 0.00 H new ATOM 1326 N ASP B 110 1.154 -6.090 12.126 1.00 0.00 N ATOM 1327 CA ASP B 110 0.924 -6.578 13.489 1.00 0.00 C ATOM 1328 C ASP B 110 2.040 -6.027 14.393 1.00 0.00 C ATOM 1329 O ASP B 110 2.004 -6.138 15.619 1.00 0.00 O ATOM 1330 CB ASP B 110 0.852 -8.097 13.518 1.00 0.00 C ATOM 1331 CG ASP B 110 0.274 -8.638 14.805 1.00 0.00 C ATOM 1332 OD1 ASP B 110 -0.969 -8.683 14.917 1.00 0.00 O ATOM 1333 OD2 ASP B 110 1.061 -9.023 15.696 1.00 0.00 O ATOM 0 H ASP B 110 0.791 -5.151 11.961 1.00 0.00 H new ATOM 0 HA ASP B 110 -0.037 -6.224 13.861 1.00 0.00 H new ATOM 0 HB2 ASP B 110 0.245 -8.442 12.681 1.00 0.00 H new ATOM 0 HB3 ASP B 110 1.853 -8.505 13.376 1.00 0.00 H new ATOM 1338 N SER B 111 2.986 -5.354 13.734 1.00 0.00 N ATOM 1339 CA SER B 111 4.091 -4.670 14.373 1.00 0.00 C ATOM 1340 C SER B 111 3.949 -3.192 14.024 1.00 0.00 C ATOM 1341 O SER B 111 3.788 -2.354 14.906 1.00 0.00 O ATOM 1342 CB SER B 111 5.438 -5.223 13.891 1.00 0.00 C ATOM 1343 OG SER B 111 6.148 -5.840 14.961 1.00 0.00 O ATOM 0 H SER B 111 2.997 -5.273 12.717 1.00 0.00 H new ATOM 0 HA SER B 111 4.067 -4.819 15.452 1.00 0.00 H new ATOM 0 HB2 SER B 111 5.273 -5.947 13.093 1.00 0.00 H new ATOM 0 HB3 SER B 111 6.037 -4.416 13.470 1.00 0.00 H new ATOM 0 HG SER B 111 7.003 -6.187 14.630 1.00 0.00 H new ATOM 1349 N ASP B 112 4.015 -2.897 12.715 1.00 0.00 N ATOM 1350 CA ASP B 112 3.894 -1.536 12.198 1.00 0.00 C ATOM 1351 C ASP B 112 2.654 -0.814 12.774 1.00 0.00 C ATOM 1352 O ASP B 112 2.761 -0.164 13.816 1.00 0.00 O ATOM 1353 CB ASP B 112 3.875 -1.576 10.661 1.00 0.00 C ATOM 1354 CG ASP B 112 4.763 -2.664 10.085 1.00 0.00 C ATOM 1355 OD1 ASP B 112 4.415 -3.853 10.248 1.00 0.00 O ATOM 1356 OD2 ASP B 112 5.801 -2.330 9.481 1.00 0.00 O ATOM 0 H ASP B 112 4.154 -3.601 11.990 1.00 0.00 H new ATOM 0 HA ASP B 112 4.759 -0.956 12.521 1.00 0.00 H new ATOM 0 HB2 ASP B 112 2.852 -1.731 10.320 1.00 0.00 H new ATOM 0 HB3 ASP B 112 4.197 -0.609 10.274 1.00 0.00 H new ATOM 1361 N SER B 113 1.477 -0.899 12.115 1.00 0.00 N ATOM 1362 CA SER B 113 0.259 -0.226 12.613 1.00 0.00 C ATOM 1363 C SER B 113 -0.948 -0.489 11.680 1.00 0.00 C ATOM 1364 O SER B 113 -1.739 0.414 11.398 1.00 0.00 O ATOM 1365 CB SER B 113 0.506 1.283 12.733 1.00 0.00 C ATOM 1366 OG SER B 113 -0.619 1.946 13.288 1.00 0.00 O ATOM 0 H SER B 113 1.346 -1.420 11.248 1.00 0.00 H new ATOM 0 HA SER B 113 0.025 -0.635 13.596 1.00 0.00 H new ATOM 0 HB2 SER B 113 1.381 1.462 13.358 1.00 0.00 H new ATOM 0 HB3 SER B 113 0.726 1.697 11.749 1.00 0.00 H new ATOM 0 HG SER B 113 -1.432 1.653 12.826 1.00 0.00 H new ATOM 1372 N TYR B 114 -1.058 -1.730 11.189 1.00 0.00 N ATOM 1373 CA TYR B 114 -2.133 -2.145 10.264 1.00 0.00 C ATOM 1374 C TYR B 114 -3.453 -2.516 10.955 1.00 0.00 C ATOM 1375 O TYR B 114 -4.520 -2.096 10.504 1.00 0.00 O ATOM 1376 CB TYR B 114 -1.655 -3.341 9.454 1.00 0.00 C ATOM 1377 CG TYR B 114 -2.776 -4.235 8.996 1.00 0.00 C ATOM 1378 CD1 TYR B 114 -3.227 -5.262 9.796 1.00 0.00 C ATOM 1379 CD2 TYR B 114 -3.389 -4.035 7.779 1.00 0.00 C ATOM 1380 CE1 TYR B 114 -4.259 -6.070 9.404 1.00 0.00 C ATOM 1381 CE2 TYR B 114 -4.430 -4.841 7.364 1.00 0.00 C ATOM 1382 CZ TYR B 114 -4.867 -5.858 8.183 1.00 0.00 C ATOM 1383 OH TYR B 114 -5.905 -6.659 7.778 1.00 0.00 O ATOM 0 H TYR B 114 -0.406 -2.479 11.419 1.00 0.00 H new ATOM 0 HA TYR B 114 -2.344 -1.280 9.635 1.00 0.00 H new ATOM 0 HB2 TYR B 114 -1.104 -2.985 8.583 1.00 0.00 H new ATOM 0 HB3 TYR B 114 -0.957 -3.924 10.056 1.00 0.00 H new ATOM 0 HD1 TYR B 114 -2.756 -5.433 10.753 1.00 0.00 H new ATOM 0 HD2 TYR B 114 -3.050 -3.234 7.139 1.00 0.00 H new ATOM 0 HE1 TYR B 114 -4.596 -6.870 10.047 1.00 0.00 H new ATOM 0 HE2 TYR B 114 -4.898 -4.675 6.405 1.00 0.00 H new ATOM 0 HH TYR B 114 -5.664 -7.109 6.941 1.00 0.00 H new ATOM 1393 N GLN B 115 -3.394 -3.380 11.977 1.00 0.00 N ATOM 1394 CA GLN B 115 -4.619 -3.882 12.620 1.00 0.00 C ATOM 1395 C GLN B 115 -5.650 -2.795 12.969 1.00 0.00 C ATOM 1396 O GLN B 115 -6.838 -3.040 12.820 1.00 0.00 O ATOM 1397 CB GLN B 115 -4.281 -4.675 13.890 1.00 0.00 C ATOM 1398 CG GLN B 115 -3.065 -5.581 13.760 1.00 0.00 C ATOM 1399 CD GLN B 115 -1.829 -4.985 14.397 1.00 0.00 C ATOM 1400 OE1 GLN B 115 -1.088 -4.243 13.754 1.00 0.00 O ATOM 1401 NE2 GLN B 115 -1.595 -5.308 15.659 1.00 0.00 N ATOM 0 H GLN B 115 -2.526 -3.742 12.373 1.00 0.00 H new ATOM 0 HA GLN B 115 -5.082 -4.525 11.872 1.00 0.00 H new ATOM 0 HB2 GLN B 115 -4.111 -3.974 14.707 1.00 0.00 H new ATOM 0 HB3 GLN B 115 -5.144 -5.282 14.165 1.00 0.00 H new ATOM 0 HG2 GLN B 115 -3.281 -6.543 14.224 1.00 0.00 H new ATOM 0 HG3 GLN B 115 -2.870 -5.773 12.705 1.00 0.00 H new ATOM 0 HE21 GLN B 115 -2.237 -5.927 16.154 1.00 0.00 H new ATOM 0 HE22 GLN B 115 -0.773 -4.938 16.136 1.00 0.00 H new ATOM 1410 N LEU B 116 -5.234 -1.616 13.422 1.00 0.00 N ATOM 1411 CA LEU B 116 -6.205 -0.561 13.766 1.00 0.00 C ATOM 1412 C LEU B 116 -7.202 -0.286 12.622 1.00 0.00 C ATOM 1413 O LEU B 116 -8.404 -0.147 12.854 1.00 0.00 O ATOM 1414 CB LEU B 116 -5.488 0.738 14.143 1.00 0.00 C ATOM 1415 CG LEU B 116 -5.973 1.388 15.442 1.00 0.00 C ATOM 1416 CD1 LEU B 116 -5.066 2.542 15.840 1.00 0.00 C ATOM 1417 CD2 LEU B 116 -7.410 1.869 15.295 1.00 0.00 C ATOM 0 H LEU B 116 -4.256 -1.362 13.560 1.00 0.00 H new ATOM 0 HA LEU B 116 -6.770 -0.927 14.623 1.00 0.00 H new ATOM 0 HB2 LEU B 116 -4.421 0.534 14.232 1.00 0.00 H new ATOM 0 HB3 LEU B 116 -5.609 1.452 13.329 1.00 0.00 H new ATOM 0 HG LEU B 116 -5.937 0.637 16.231 1.00 0.00 H new ATOM 0 HD11 LEU B 116 -5.430 2.988 16.765 1.00 0.00 H new ATOM 0 HD12 LEU B 116 -4.052 2.172 15.990 1.00 0.00 H new ATOM 0 HD13 LEU B 116 -5.066 3.293 15.050 1.00 0.00 H new ATOM 0 HD21 LEU B 116 -7.737 2.328 16.228 1.00 0.00 H new ATOM 0 HD22 LEU B 116 -7.468 2.602 14.490 1.00 0.00 H new ATOM 0 HD23 LEU B 116 -8.055 1.022 15.061 1.00 0.00 H new ATOM 1429 N LEU B 117 -6.687 -0.209 11.396 1.00 0.00 N ATOM 1430 CA LEU B 117 -7.565 0.062 10.243 1.00 0.00 C ATOM 1431 C LEU B 117 -8.510 -1.098 9.958 1.00 0.00 C ATOM 1432 O LEU B 117 -9.716 -0.908 9.786 1.00 0.00 O ATOM 1433 CB LEU B 117 -6.806 0.418 8.986 1.00 0.00 C ATOM 1434 CG LEU B 117 -7.346 1.671 8.282 1.00 0.00 C ATOM 1435 CD1 LEU B 117 -6.245 2.657 7.970 1.00 0.00 C ATOM 1436 CD2 LEU B 117 -8.091 1.298 7.017 1.00 0.00 C ATOM 0 H LEU B 117 -5.699 -0.325 11.171 1.00 0.00 H new ATOM 0 HA LEU B 117 -8.151 0.934 10.534 1.00 0.00 H new ATOM 0 HB2 LEU B 117 -5.757 0.575 9.236 1.00 0.00 H new ATOM 0 HB3 LEU B 117 -6.847 -0.424 8.295 1.00 0.00 H new ATOM 0 HG LEU B 117 -8.040 2.154 8.970 1.00 0.00 H new ATOM 0 HD11 LEU B 117 -6.668 3.529 7.472 1.00 0.00 H new ATOM 0 HD12 LEU B 117 -5.761 2.967 8.896 1.00 0.00 H new ATOM 0 HD13 LEU B 117 -5.510 2.187 7.316 1.00 0.00 H new ATOM 0 HD21 LEU B 117 -8.465 2.201 6.535 1.00 0.00 H new ATOM 0 HD22 LEU B 117 -7.416 0.777 6.338 1.00 0.00 H new ATOM 0 HD23 LEU B 117 -8.929 0.647 7.267 1.00 0.00 H new ATOM 1448 N LYS B 118 -7.968 -2.297 9.923 1.00 0.00 N ATOM 1449 CA LYS B 118 -8.768 -3.490 9.670 1.00 0.00 C ATOM 1450 C LYS B 118 -9.638 -3.814 10.877 1.00 0.00 C ATOM 1451 O LYS B 118 -10.734 -4.363 10.753 1.00 0.00 O ATOM 1452 CB LYS B 118 -7.850 -4.658 9.351 1.00 0.00 C ATOM 1453 CG LYS B 118 -6.906 -4.960 10.488 1.00 0.00 C ATOM 1454 CD LYS B 118 -6.919 -6.444 10.824 1.00 0.00 C ATOM 1455 CE LYS B 118 -6.282 -6.726 12.172 1.00 0.00 C ATOM 1456 NZ LYS B 118 -6.430 -8.160 12.559 1.00 0.00 N ATOM 0 H LYS B 118 -6.974 -2.478 10.066 1.00 0.00 H new ATOM 0 HA LYS B 118 -9.423 -3.306 8.818 1.00 0.00 H new ATOM 0 HB2 LYS B 118 -8.450 -5.542 9.133 1.00 0.00 H new ATOM 0 HB3 LYS B 118 -7.275 -4.433 8.452 1.00 0.00 H new ATOM 0 HG2 LYS B 118 -5.896 -4.653 10.219 1.00 0.00 H new ATOM 0 HG3 LYS B 118 -7.191 -4.381 11.367 1.00 0.00 H new ATOM 0 HD2 LYS B 118 -7.947 -6.807 10.826 1.00 0.00 H new ATOM 0 HD3 LYS B 118 -6.387 -6.996 10.049 1.00 0.00 H new ATOM 0 HE2 LYS B 118 -5.224 -6.465 12.137 1.00 0.00 H new ATOM 0 HE3 LYS B 118 -6.742 -6.094 12.932 1.00 0.00 H new ATOM 0 HZ1 LYS B 118 -5.984 -8.318 13.485 1.00 0.00 H new ATOM 0 HZ2 LYS B 118 -7.440 -8.402 12.616 1.00 0.00 H new ATOM 0 HZ3 LYS B 118 -5.970 -8.761 11.846 1.00 0.00 H new ATOM 1470 N ALA B 119 -9.127 -3.445 12.042 1.00 0.00 N ATOM 1471 CA ALA B 119 -9.819 -3.655 13.303 1.00 0.00 C ATOM 1472 C ALA B 119 -11.154 -2.931 13.303 1.00 0.00 C ATOM 1473 O ALA B 119 -12.101 -3.362 13.963 1.00 0.00 O ATOM 1474 CB ALA B 119 -8.965 -3.190 14.475 1.00 0.00 C ATOM 0 H ALA B 119 -8.219 -2.991 12.139 1.00 0.00 H new ATOM 0 HA ALA B 119 -10.001 -4.724 13.416 1.00 0.00 H new ATOM 0 HB1 ALA B 119 -9.504 -3.357 15.407 1.00 0.00 H new ATOM 0 HB2 ALA B 119 -8.031 -3.752 14.490 1.00 0.00 H new ATOM 0 HB3 ALA B 119 -8.747 -2.127 14.368 1.00 0.00 H new ATOM 1480 N TYR B 120 -11.233 -1.831 12.549 1.00 0.00 N ATOM 1481 CA TYR B 120 -12.466 -1.085 12.469 1.00 0.00 C ATOM 1482 C TYR B 120 -13.348 -1.629 11.346 1.00 0.00 C ATOM 1483 O TYR B 120 -14.543 -1.814 11.573 1.00 0.00 O ATOM 1484 CB TYR B 120 -12.214 0.437 12.396 1.00 0.00 C ATOM 1485 CG TYR B 120 -11.790 1.035 11.065 1.00 0.00 C ATOM 1486 CD1 TYR B 120 -12.543 0.877 9.907 1.00 0.00 C ATOM 1487 CD2 TYR B 120 -10.637 1.814 10.990 1.00 0.00 C ATOM 1488 CE1 TYR B 120 -12.153 1.465 8.720 1.00 0.00 C ATOM 1489 CE2 TYR B 120 -10.251 2.409 9.811 1.00 0.00 C ATOM 1490 CZ TYR B 120 -11.010 2.229 8.678 1.00 0.00 C ATOM 1491 OH TYR B 120 -10.640 2.835 7.504 1.00 0.00 O ATOM 0 H TYR B 120 -10.464 -1.451 11.997 1.00 0.00 H new ATOM 0 HA TYR B 120 -13.026 -1.228 13.393 1.00 0.00 H new ATOM 0 HB2 TYR B 120 -13.128 0.941 12.710 1.00 0.00 H new ATOM 0 HB3 TYR B 120 -11.446 0.682 13.130 1.00 0.00 H new ATOM 0 HD1 TYR B 120 -13.446 0.286 9.936 1.00 0.00 H new ATOM 0 HD2 TYR B 120 -10.034 1.954 11.875 1.00 0.00 H new ATOM 0 HE1 TYR B 120 -12.744 1.325 7.827 1.00 0.00 H new ATOM 0 HE2 TYR B 120 -9.357 3.014 9.775 1.00 0.00 H new ATOM 0 HH TYR B 120 -9.963 3.519 7.688 1.00 0.00 H new ATOM 1501 N ASP B 121 -12.757 -1.945 10.165 1.00 0.00 N ATOM 1502 CA ASP B 121 -13.542 -2.541 9.047 1.00 0.00 C ATOM 1503 C ASP B 121 -12.935 -2.270 7.669 1.00 0.00 C ATOM 1504 O ASP B 121 -13.663 -2.201 6.674 1.00 0.00 O ATOM 1505 CB ASP B 121 -14.998 -2.036 9.041 1.00 0.00 C ATOM 1506 CG ASP B 121 -16.000 -3.121 9.394 1.00 0.00 C ATOM 1507 OD1 ASP B 121 -15.823 -4.275 8.940 1.00 0.00 O ATOM 1508 OD2 ASP B 121 -16.970 -2.814 10.112 1.00 0.00 O ATOM 0 H ASP B 121 -11.767 -1.803 9.962 1.00 0.00 H new ATOM 0 HA ASP B 121 -13.517 -3.615 9.230 1.00 0.00 H new ATOM 0 HB2 ASP B 121 -15.095 -1.214 9.750 1.00 0.00 H new ATOM 0 HB3 ASP B 121 -15.235 -1.636 8.055 1.00 0.00 H new ATOM 1513 N VAL B 122 -11.620 -2.107 7.596 1.00 0.00 N ATOM 1514 CA VAL B 122 -10.963 -1.821 6.325 1.00 0.00 C ATOM 1515 C VAL B 122 -9.487 -2.134 6.376 1.00 0.00 C ATOM 1516 O VAL B 122 -8.699 -1.313 6.830 1.00 0.00 O ATOM 1517 CB VAL B 122 -11.128 -0.324 5.964 1.00 0.00 C ATOM 1518 CG1 VAL B 122 -10.286 0.052 4.754 1.00 0.00 C ATOM 1519 CG2 VAL B 122 -12.584 0.025 5.723 1.00 0.00 C ATOM 0 H VAL B 122 -10.990 -2.167 8.396 1.00 0.00 H new ATOM 0 HA VAL B 122 -11.435 -2.452 5.572 1.00 0.00 H new ATOM 0 HB VAL B 122 -10.773 0.255 6.817 1.00 0.00 H new ATOM 0 HG11 VAL B 122 -10.425 1.109 4.528 1.00 0.00 H new ATOM 0 HG12 VAL B 122 -9.234 -0.137 4.969 1.00 0.00 H new ATOM 0 HG13 VAL B 122 -10.594 -0.546 3.896 1.00 0.00 H new ATOM 0 HG21 VAL B 122 -12.668 1.082 5.472 1.00 0.00 H new ATOM 0 HG22 VAL B 122 -12.971 -0.576 4.900 1.00 0.00 H new ATOM 0 HG23 VAL B 122 -13.161 -0.181 6.624 1.00 0.00 H new ATOM 1529 N ASN B 123 -9.106 -3.321 5.914 1.00 0.00 N ATOM 1530 CA ASN B 123 -7.704 -3.684 5.902 1.00 0.00 C ATOM 1531 C ASN B 123 -6.974 -2.656 5.023 1.00 0.00 C ATOM 1532 O ASN B 123 -6.740 -1.529 5.449 1.00 0.00 O ATOM 1533 CB ASN B 123 -7.514 -5.135 5.399 1.00 0.00 C ATOM 1534 CG ASN B 123 -8.535 -6.109 5.965 1.00 0.00 C ATOM 1535 OD1 ASN B 123 -9.178 -5.841 6.976 1.00 0.00 O ATOM 1536 ND2 ASN B 123 -8.700 -7.244 5.305 1.00 0.00 N ATOM 0 H ASN B 123 -9.740 -4.033 5.550 1.00 0.00 H new ATOM 0 HA ASN B 123 -7.285 -3.663 6.908 1.00 0.00 H new ATOM 0 HB2 ASN B 123 -7.577 -5.146 4.311 1.00 0.00 H new ATOM 0 HB3 ASN B 123 -6.513 -5.475 5.664 1.00 0.00 H new ATOM 0 HD21 ASN B 123 -9.380 -7.930 5.633 1.00 0.00 H new ATOM 0 HD22 ASN B 123 -8.148 -7.432 4.468 1.00 0.00 H new ATOM 1543 N ILE B 124 -6.632 -3.012 3.799 1.00 0.00 N ATOM 1544 CA ILE B 124 -5.955 -2.054 2.926 1.00 0.00 C ATOM 1545 C ILE B 124 -6.340 -2.187 1.465 1.00 0.00 C ATOM 1546 O ILE B 124 -5.715 -1.554 0.610 1.00 0.00 O ATOM 1547 CB ILE B 124 -4.423 -2.126 3.028 1.00 0.00 C ATOM 1548 CG1 ILE B 124 -4.008 -3.248 3.947 1.00 0.00 C ATOM 1549 CG2 ILE B 124 -3.857 -0.805 3.510 1.00 0.00 C ATOM 1550 CD1 ILE B 124 -4.539 -4.569 3.474 1.00 0.00 C ATOM 0 H ILE B 124 -6.803 -3.930 3.389 1.00 0.00 H new ATOM 0 HA ILE B 124 -6.298 -1.087 3.293 1.00 0.00 H new ATOM 0 HB ILE B 124 -4.021 -2.327 2.035 1.00 0.00 H new ATOM 0 HG12 ILE B 124 -2.920 -3.291 4.003 1.00 0.00 H new ATOM 0 HG13 ILE B 124 -4.372 -3.048 4.955 1.00 0.00 H new ATOM 0 HG21 ILE B 124 -2.771 -0.877 3.576 1.00 0.00 H new ATOM 0 HG22 ILE B 124 -4.127 -0.016 2.808 1.00 0.00 H new ATOM 0 HG23 ILE B 124 -4.265 -0.571 4.493 1.00 0.00 H new ATOM 0 HD11 ILE B 124 -4.221 -5.355 4.159 1.00 0.00 H new ATOM 0 HD12 ILE B 124 -5.628 -4.533 3.443 1.00 0.00 H new ATOM 0 HD13 ILE B 124 -4.154 -4.780 2.476 1.00 0.00 H new ATOM 1562 N SER B 125 -7.322 -3.032 1.166 1.00 0.00 N ATOM 1563 CA SER B 125 -7.713 -3.244 -0.233 1.00 0.00 C ATOM 1564 C SER B 125 -7.731 -1.904 -0.972 1.00 0.00 C ATOM 1565 O SER B 125 -6.919 -1.648 -1.877 1.00 0.00 O ATOM 1566 CB SER B 125 -9.092 -3.902 -0.335 1.00 0.00 C ATOM 1567 OG SER B 125 -9.975 -3.401 0.655 1.00 0.00 O ATOM 0 H SER B 125 -7.853 -3.571 1.850 1.00 0.00 H new ATOM 0 HA SER B 125 -6.982 -3.912 -0.689 1.00 0.00 H new ATOM 0 HB2 SER B 125 -9.511 -3.721 -1.325 1.00 0.00 H new ATOM 0 HB3 SER B 125 -8.992 -4.982 -0.223 1.00 0.00 H new ATOM 0 HG SER B 125 -10.848 -3.837 0.565 1.00 0.00 H new ATOM 1573 N GLY B 126 -8.633 -1.029 -0.536 1.00 0.00 N ATOM 1574 CA GLY B 126 -8.728 0.297 -1.113 1.00 0.00 C ATOM 1575 C GLY B 126 -7.785 1.271 -0.435 1.00 0.00 C ATOM 1576 O GLY B 126 -7.410 2.279 -1.021 1.00 0.00 O ATOM 0 H GLY B 126 -9.302 -1.218 0.210 1.00 0.00 H new ATOM 0 HA2 GLY B 126 -8.498 0.248 -2.177 1.00 0.00 H new ATOM 0 HA3 GLY B 126 -9.752 0.660 -1.025 1.00 0.00 H new ATOM 1580 N LEU B 127 -7.400 0.968 0.805 1.00 0.00 N ATOM 1581 CA LEU B 127 -6.499 1.810 1.564 1.00 0.00 C ATOM 1582 C LEU B 127 -5.135 1.909 0.881 1.00 0.00 C ATOM 1583 O LEU B 127 -4.687 3.008 0.545 1.00 0.00 O ATOM 1584 CB LEU B 127 -6.353 1.239 2.972 1.00 0.00 C ATOM 1585 CG LEU B 127 -6.285 2.241 4.119 1.00 0.00 C ATOM 1586 CD1 LEU B 127 -5.062 1.955 4.965 1.00 0.00 C ATOM 1587 CD2 LEU B 127 -6.274 3.669 3.604 1.00 0.00 C ATOM 0 H LEU B 127 -7.708 0.133 1.303 1.00 0.00 H new ATOM 0 HA LEU B 127 -6.912 2.817 1.619 1.00 0.00 H new ATOM 0 HB2 LEU B 127 -7.194 0.570 3.156 1.00 0.00 H new ATOM 0 HB3 LEU B 127 -5.449 0.630 2.999 1.00 0.00 H new ATOM 0 HG LEU B 127 -7.177 2.132 4.736 1.00 0.00 H new ATOM 0 HD11 LEU B 127 -5.012 2.671 5.786 1.00 0.00 H new ATOM 0 HD12 LEU B 127 -5.127 0.944 5.368 1.00 0.00 H new ATOM 0 HD13 LEU B 127 -4.166 2.044 4.351 1.00 0.00 H new ATOM 0 HD21 LEU B 127 -6.225 4.359 4.446 1.00 0.00 H new ATOM 0 HD22 LEU B 127 -5.406 3.818 2.962 1.00 0.00 H new ATOM 0 HD23 LEU B 127 -7.183 3.857 3.033 1.00 0.00 H new ATOM 1599 N VAL B 128 -4.489 0.755 0.653 1.00 0.00 N ATOM 1600 CA VAL B 128 -3.192 0.735 -0.022 1.00 0.00 C ATOM 1601 C VAL B 128 -3.326 1.471 -1.346 1.00 0.00 C ATOM 1602 O VAL B 128 -2.717 2.509 -1.557 1.00 0.00 O ATOM 1603 CB VAL B 128 -2.673 -0.717 -0.268 1.00 0.00 C ATOM 1604 CG1 VAL B 128 -1.639 -0.763 -1.389 1.00 0.00 C ATOM 1605 CG2 VAL B 128 -2.089 -1.298 1.007 1.00 0.00 C ATOM 0 H VAL B 128 -4.842 -0.163 0.924 1.00 0.00 H new ATOM 0 HA VAL B 128 -2.462 1.226 0.622 1.00 0.00 H new ATOM 0 HB VAL B 128 -3.526 -1.321 -0.575 1.00 0.00 H new ATOM 0 HG11 VAL B 128 -1.301 -1.790 -1.531 1.00 0.00 H new ATOM 0 HG12 VAL B 128 -2.087 -0.398 -2.313 1.00 0.00 H new ATOM 0 HG13 VAL B 128 -0.788 -0.135 -1.125 1.00 0.00 H new ATOM 0 HG21 VAL B 128 -1.733 -2.310 0.816 1.00 0.00 H new ATOM 0 HG22 VAL B 128 -1.258 -0.678 1.342 1.00 0.00 H new ATOM 0 HG23 VAL B 128 -2.857 -1.324 1.780 1.00 0.00 H new ATOM 1615 N SER B 129 -4.165 0.932 -2.214 1.00 0.00 N ATOM 1616 CA SER B 129 -4.435 1.516 -3.518 1.00 0.00 C ATOM 1617 C SER B 129 -4.792 3.010 -3.459 1.00 0.00 C ATOM 1618 O SER B 129 -4.292 3.786 -4.273 1.00 0.00 O ATOM 1619 CB SER B 129 -5.572 0.750 -4.166 1.00 0.00 C ATOM 1620 OG SER B 129 -6.663 0.596 -3.270 1.00 0.00 O ATOM 0 H SER B 129 -4.682 0.071 -2.033 1.00 0.00 H new ATOM 0 HA SER B 129 -3.518 1.441 -4.103 1.00 0.00 H new ATOM 0 HB2 SER B 129 -5.904 1.275 -5.061 1.00 0.00 H new ATOM 0 HB3 SER B 129 -5.218 -0.231 -4.485 1.00 0.00 H new ATOM 0 HG SER B 129 -6.505 -0.179 -2.692 1.00 0.00 H new ATOM 1626 N THR B 130 -5.648 3.420 -2.516 1.00 0.00 N ATOM 1627 CA THR B 130 -6.036 4.821 -2.407 1.00 0.00 C ATOM 1628 C THR B 130 -4.856 5.625 -1.952 1.00 0.00 C ATOM 1629 O THR B 130 -4.431 6.565 -2.627 1.00 0.00 O ATOM 1630 CB THR B 130 -7.186 5.008 -1.417 1.00 0.00 C ATOM 1631 OG1 THR B 130 -8.339 4.321 -1.852 1.00 0.00 O ATOM 1632 CG2 THR B 130 -7.567 6.456 -1.200 1.00 0.00 C ATOM 0 H THR B 130 -6.079 2.805 -1.826 1.00 0.00 H new ATOM 0 HA THR B 130 -6.373 5.159 -3.387 1.00 0.00 H new ATOM 0 HB THR B 130 -6.818 4.604 -0.474 1.00 0.00 H new ATOM 0 HG1 THR B 130 -8.446 3.499 -1.330 1.00 0.00 H new ATOM 0 HG21 THR B 130 -8.389 6.513 -0.486 1.00 0.00 H new ATOM 0 HG22 THR B 130 -6.709 7.003 -0.810 1.00 0.00 H new ATOM 0 HG23 THR B 130 -7.878 6.896 -2.147 1.00 0.00 H new ATOM 1640 N THR B 131 -4.320 5.240 -0.800 1.00 0.00 N ATOM 1641 CA THR B 131 -3.175 5.927 -0.259 1.00 0.00 C ATOM 1642 C THR B 131 -2.070 5.964 -1.301 1.00 0.00 C ATOM 1643 O THR B 131 -1.459 7.006 -1.543 1.00 0.00 O ATOM 1644 CB THR B 131 -2.693 5.278 1.047 1.00 0.00 C ATOM 1645 OG1 THR B 131 -2.125 6.247 1.917 1.00 0.00 O ATOM 1646 CG2 THR B 131 -1.659 4.196 0.852 1.00 0.00 C ATOM 0 H THR B 131 -4.662 4.463 -0.234 1.00 0.00 H new ATOM 0 HA THR B 131 -3.463 6.949 -0.012 1.00 0.00 H new ATOM 0 HB THR B 131 -3.589 4.827 1.474 1.00 0.00 H new ATOM 0 HG1 THR B 131 -1.570 6.867 1.399 1.00 0.00 H new ATOM 0 HG21 THR B 131 -1.371 3.789 1.821 1.00 0.00 H new ATOM 0 HG22 THR B 131 -2.076 3.401 0.234 1.00 0.00 H new ATOM 0 HG23 THR B 131 -0.782 4.616 0.360 1.00 0.00 H new ATOM 1654 N MET B 132 -1.848 4.829 -1.957 1.00 0.00 N ATOM 1655 CA MET B 132 -0.850 4.750 -2.996 1.00 0.00 C ATOM 1656 C MET B 132 -1.173 5.720 -4.115 1.00 0.00 C ATOM 1657 O MET B 132 -0.377 6.578 -4.419 1.00 0.00 O ATOM 1658 CB MET B 132 -0.774 3.333 -3.553 1.00 0.00 C ATOM 1659 CG MET B 132 -0.185 2.333 -2.584 1.00 0.00 C ATOM 1660 SD MET B 132 0.909 1.171 -3.388 1.00 0.00 S ATOM 1661 CE MET B 132 1.338 0.164 -1.999 1.00 0.00 C ATOM 0 H MET B 132 -2.349 3.958 -1.782 1.00 0.00 H new ATOM 0 HA MET B 132 0.115 5.015 -2.563 1.00 0.00 H new ATOM 0 HB2 MET B 132 -1.776 3.008 -3.834 1.00 0.00 H new ATOM 0 HB3 MET B 132 -0.174 3.341 -4.463 1.00 0.00 H new ATOM 0 HG2 MET B 132 0.362 2.864 -1.805 1.00 0.00 H new ATOM 0 HG3 MET B 132 -0.991 1.789 -2.092 1.00 0.00 H new ATOM 0 HE1 MET B 132 2.378 -0.150 -2.085 1.00 0.00 H new ATOM 0 HE2 MET B 132 1.207 0.736 -1.080 1.00 0.00 H new ATOM 0 HE3 MET B 132 0.694 -0.715 -1.974 1.00 0.00 H new ATOM 1671 N GLN B 133 -2.350 5.590 -4.721 1.00 0.00 N ATOM 1672 CA GLN B 133 -2.741 6.479 -5.816 1.00 0.00 C ATOM 1673 C GLN B 133 -2.523 7.943 -5.449 1.00 0.00 C ATOM 1674 O GLN B 133 -1.996 8.713 -6.251 1.00 0.00 O ATOM 1675 CB GLN B 133 -4.201 6.224 -6.219 1.00 0.00 C ATOM 1676 CG GLN B 133 -5.161 7.372 -5.914 1.00 0.00 C ATOM 1677 CD GLN B 133 -6.606 7.016 -6.198 1.00 0.00 C ATOM 1678 OE1 GLN B 133 -6.987 6.786 -7.343 1.00 0.00 O ATOM 1679 NE2 GLN B 133 -7.425 6.968 -5.156 1.00 0.00 N ATOM 0 H GLN B 133 -3.046 4.885 -4.477 1.00 0.00 H new ATOM 0 HA GLN B 133 -2.104 6.259 -6.672 1.00 0.00 H new ATOM 0 HB2 GLN B 133 -4.236 6.014 -7.288 1.00 0.00 H new ATOM 0 HB3 GLN B 133 -4.553 5.329 -5.706 1.00 0.00 H new ATOM 0 HG2 GLN B 133 -5.060 7.656 -4.867 1.00 0.00 H new ATOM 0 HG3 GLN B 133 -4.882 8.242 -6.509 1.00 0.00 H new ATOM 0 HE21 GLN B 133 -7.071 7.165 -4.220 1.00 0.00 H new ATOM 0 HE22 GLN B 133 -8.409 6.734 -5.291 1.00 0.00 H new ATOM 1688 N ASN B 134 -2.919 8.326 -4.240 1.00 0.00 N ATOM 1689 CA ASN B 134 -2.752 9.703 -3.789 1.00 0.00 C ATOM 1690 C ASN B 134 -1.275 10.066 -3.696 1.00 0.00 C ATOM 1691 O ASN B 134 -0.817 11.009 -4.351 1.00 0.00 O ATOM 1692 CB ASN B 134 -3.432 9.899 -2.429 1.00 0.00 C ATOM 1693 CG ASN B 134 -4.883 9.463 -2.414 1.00 0.00 C ATOM 1694 OD1 ASN B 134 -5.530 9.361 -3.455 1.00 0.00 O ATOM 1695 ND2 ASN B 134 -5.403 9.193 -1.226 1.00 0.00 N ATOM 0 H ASN B 134 -3.356 7.706 -3.558 1.00 0.00 H new ATOM 0 HA ASN B 134 -3.222 10.363 -4.518 1.00 0.00 H new ATOM 0 HB2 ASN B 134 -2.884 9.338 -1.673 1.00 0.00 H new ATOM 0 HB3 ASN B 134 -3.373 10.951 -2.150 1.00 0.00 H new ATOM 0 HD21 ASN B 134 -6.373 8.888 -1.151 1.00 0.00 H new ATOM 0 HD22 ASN B 134 -4.833 9.290 -0.386 1.00 0.00 H new ATOM 1702 N GLU B 135 -0.534 9.300 -2.904 1.00 0.00 N ATOM 1703 CA GLU B 135 0.898 9.521 -2.732 1.00 0.00 C ATOM 1704 C GLU B 135 1.665 9.148 -4.009 1.00 0.00 C ATOM 1705 O GLU B 135 2.817 9.541 -4.189 1.00 0.00 O ATOM 1706 CB GLU B 135 1.404 8.704 -1.535 1.00 0.00 C ATOM 1707 CG GLU B 135 1.050 9.309 -0.175 1.00 0.00 C ATOM 1708 CD GLU B 135 -0.437 9.255 0.144 1.00 0.00 C ATOM 1709 OE1 GLU B 135 -1.155 10.210 -0.225 1.00 0.00 O ATOM 1710 OE2 GLU B 135 -0.884 8.261 0.768 1.00 0.00 O ATOM 0 H GLU B 135 -0.904 8.515 -2.367 1.00 0.00 H new ATOM 0 HA GLU B 135 1.072 10.579 -2.538 1.00 0.00 H new ATOM 0 HB2 GLU B 135 0.988 7.698 -1.593 1.00 0.00 H new ATOM 0 HB3 GLU B 135 2.487 8.606 -1.607 1.00 0.00 H new ATOM 0 HG2 GLU B 135 1.600 8.780 0.603 1.00 0.00 H new ATOM 0 HG3 GLU B 135 1.381 10.347 -0.150 1.00 0.00 H new ATOM 1717 N ALA B 136 1.003 8.416 -4.911 1.00 0.00 N ATOM 1718 CA ALA B 136 1.579 8.010 -6.192 1.00 0.00 C ATOM 1719 C ALA B 136 1.327 9.057 -7.260 1.00 0.00 C ATOM 1720 O ALA B 136 2.084 9.178 -8.210 1.00 0.00 O ATOM 1721 CB ALA B 136 0.981 6.696 -6.644 1.00 0.00 C ATOM 0 H ALA B 136 0.048 8.088 -4.770 1.00 0.00 H new ATOM 0 HA ALA B 136 2.654 7.898 -6.049 1.00 0.00 H new ATOM 0 HB1 ALA B 136 1.419 6.406 -7.599 1.00 0.00 H new ATOM 0 HB2 ALA B 136 1.190 5.927 -5.901 1.00 0.00 H new ATOM 0 HB3 ALA B 136 -0.097 6.807 -6.758 1.00 0.00 H new ATOM 1727 N ARG B 137 0.228 9.786 -7.120 1.00 0.00 N ATOM 1728 CA ARG B 137 -0.124 10.815 -8.080 1.00 0.00 C ATOM 1729 C ARG B 137 0.620 12.085 -7.773 1.00 0.00 C ATOM 1730 O ARG B 137 1.179 12.739 -8.651 1.00 0.00 O ATOM 1731 CB ARG B 137 -1.604 11.134 -8.005 1.00 0.00 C ATOM 1732 CG ARG B 137 -2.397 10.633 -9.188 1.00 0.00 C ATOM 1733 CD ARG B 137 -1.684 10.924 -10.499 1.00 0.00 C ATOM 1734 NE ARG B 137 -2.621 11.290 -11.563 1.00 0.00 N ATOM 1735 CZ ARG B 137 -3.370 10.423 -12.235 1.00 0.00 C ATOM 1736 NH1 ARG B 137 -3.302 9.132 -11.973 1.00 0.00 N ATOM 1737 NH2 ARG B 137 -4.190 10.856 -13.169 1.00 0.00 N ATOM 0 H ARG B 137 -0.433 9.681 -6.350 1.00 0.00 H new ATOM 0 HA ARG B 137 0.134 10.441 -9.071 1.00 0.00 H new ATOM 0 HB2 ARG B 137 -2.014 10.698 -7.094 1.00 0.00 H new ATOM 0 HB3 ARG B 137 -1.730 12.214 -7.926 1.00 0.00 H new ATOM 0 HG2 ARG B 137 -2.559 9.559 -9.091 1.00 0.00 H new ATOM 0 HG3 ARG B 137 -3.380 11.104 -9.195 1.00 0.00 H new ATOM 0 HD2 ARG B 137 -0.969 11.733 -10.351 1.00 0.00 H new ATOM 0 HD3 ARG B 137 -1.114 10.047 -10.804 1.00 0.00 H new ATOM 0 HE ARG B 137 -2.704 12.278 -11.804 1.00 0.00 H new ATOM 0 HH11 ARG B 137 -2.670 8.791 -11.249 1.00 0.00 H new ATOM 0 HH12 ARG B 137 -3.881 8.474 -12.495 1.00 0.00 H new ATOM 0 HH21 ARG B 137 -4.248 11.853 -13.374 1.00 0.00 H new ATOM 0 HH22 ARG B 137 -4.767 10.194 -13.688 1.00 0.00 H new ATOM 1751 N ARG B 138 0.554 12.447 -6.506 1.00 0.00 N ATOM 1752 CA ARG B 138 1.152 13.674 -6.029 1.00 0.00 C ATOM 1753 C ARG B 138 2.690 13.719 -6.148 1.00 0.00 C ATOM 1754 O ARG B 138 3.247 14.814 -6.266 1.00 0.00 O ATOM 1755 CB ARG B 138 0.719 13.941 -4.583 1.00 0.00 C ATOM 1756 CG ARG B 138 -0.787 14.122 -4.419 1.00 0.00 C ATOM 1757 CD ARG B 138 -1.164 15.589 -4.273 1.00 0.00 C ATOM 1758 NE ARG B 138 -2.597 15.819 -4.505 1.00 0.00 N ATOM 1759 CZ ARG B 138 -3.508 15.966 -3.548 1.00 0.00 C ATOM 1760 NH1 ARG B 138 -3.183 15.830 -2.272 1.00 0.00 N ATOM 1761 NH2 ARG B 138 -4.756 16.229 -3.883 1.00 0.00 N ATOM 0 H ARG B 138 0.086 11.900 -5.783 1.00 0.00 H new ATOM 0 HA ARG B 138 0.784 14.463 -6.685 1.00 0.00 H new ATOM 0 HB2 ARG B 138 1.047 13.112 -3.956 1.00 0.00 H new ATOM 0 HB3 ARG B 138 1.225 14.835 -4.220 1.00 0.00 H new ATOM 0 HG2 ARG B 138 -1.301 13.698 -5.282 1.00 0.00 H new ATOM 0 HG3 ARG B 138 -1.127 13.570 -3.543 1.00 0.00 H new ATOM 0 HD2 ARG B 138 -0.900 15.933 -3.273 1.00 0.00 H new ATOM 0 HD3 ARG B 138 -0.583 16.184 -4.978 1.00 0.00 H new ATOM 0 HE ARG B 138 -2.916 15.870 -5.472 1.00 0.00 H new ATOM 0 HH11 ARG B 138 -2.222 15.609 -2.011 1.00 0.00 H new ATOM 0 HH12 ARG B 138 -3.894 15.946 -1.550 1.00 0.00 H new ATOM 0 HH21 ARG B 138 -5.012 16.317 -4.866 1.00 0.00 H new ATOM 0 HH22 ARG B 138 -5.465 16.344 -3.159 1.00 0.00 H new