USER MOD reduce.3.24.130724 H: found=0, std=0, add=1017, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1017 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 112 THR OG1 : rot 180:sc=0.000357 USER MOD Set 1.2: A 121 LYS NZ :NH3+ 168:sc= 0.00261 (180deg=0) USER MOD Set 2.1: A 102 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 111 ASN : amide:sc= 0 X(o=0,f=0.44) USER MOD Set 3.1: A 105 ASN : amide:sc= 0.0341 X(o=0.065,f=0) USER MOD Set 3.2: A 110 THR OG1 : rot 109:sc= 0.0313 USER MOD Set 4.1: A 81 THR OG1 : rot 126:sc= 0.427 USER MOD Set 4.2: A 93 THR OG1 : rot 68:sc= 0.0861 USER MOD Set 5.1: A 47 HIS : no HD1:sc= 0 X(o=0,f=0.12) USER MOD Set 5.2: A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 2 SER OG : rot -11:sc= 0.134 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 149:sc= 0.0132 USER MOD Single : A 8 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 10 GLN : amide:sc= -0.341 X(o=-0.34,f=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.0364 K(o=-0.036,f=0.63) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 19 MET CE :methyl -165:sc= -0.925 (180deg=-1.51) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 157:sc=-0.00756 (180deg=-0.711) USER MOD Single : A 36 LYS NZ :NH3+ 161:sc= -0.114 (180deg=-0.366) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= 0.0119 X(o=0.012,f=-0.29) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.0184 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 141:sc= 0.121 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=0.0015) USER MOD Single : A 69 CYS SG : rot 127:sc= -0.029 USER MOD Single : A 73 THR OG1 : rot 140:sc= 0.00352 USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot -170:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 90 LYS NZ :NH3+ -112:sc= 0.0582 (180deg=0) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.236) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 LYS NZ :NH3+ -156:sc= 0.0023 (180deg=0) USER MOD Single : A 100 SER OG : rot 143:sc= 0.77 USER MOD Single : A 113 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 2 9.065 -10.632 13.156 1.00 0.00 N ATOM 2 CA SER A 2 8.627 -10.781 14.551 1.00 0.00 C ATOM 3 C SER A 2 8.261 -9.391 15.124 1.00 0.00 C ATOM 4 O SER A 2 9.120 -8.516 15.279 1.00 0.00 O ATOM 5 CB SER A 2 9.699 -11.496 15.401 1.00 0.00 C ATOM 6 OG SER A 2 9.877 -12.843 14.975 1.00 0.00 O ATOM 0 HA SER A 2 7.739 -11.412 14.584 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.645 -10.959 15.325 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.406 -11.479 16.451 1.00 0.00 H new ATOM 0 HG SER A 2 9.163 -13.085 14.349 1.00 0.00 H new ATOM 12 N PHE A 3 6.969 -9.211 15.444 1.00 0.00 N ATOM 13 CA PHE A 3 6.409 -7.898 15.877 1.00 0.00 C ATOM 14 C PHE A 3 6.614 -7.470 17.361 1.00 0.00 C ATOM 15 O PHE A 3 6.220 -6.347 17.687 1.00 0.00 O ATOM 16 CB PHE A 3 4.892 -7.864 15.527 1.00 0.00 C ATOM 17 CG PHE A 3 4.558 -7.739 14.033 1.00 0.00 C ATOM 18 CD1 PHE A 3 4.666 -6.494 13.403 1.00 0.00 C ATOM 19 CD2 PHE A 3 4.144 -8.849 13.291 1.00 0.00 C ATOM 20 CE1 PHE A 3 4.353 -6.358 12.054 1.00 0.00 C ATOM 21 CE2 PHE A 3 3.838 -8.709 11.941 1.00 0.00 C ATOM 22 CZ PHE A 3 3.939 -7.465 11.326 1.00 0.00 C ATOM 0 H PHE A 3 6.278 -9.960 15.414 1.00 0.00 H new ATOM 0 HA PHE A 3 6.997 -7.164 15.327 1.00 0.00 H new ATOM 0 HB2 PHE A 3 4.429 -8.773 15.910 1.00 0.00 H new ATOM 0 HB3 PHE A 3 4.434 -7.027 16.054 1.00 0.00 H new ATOM 0 HD1 PHE A 3 4.994 -5.634 13.967 1.00 0.00 H new ATOM 0 HD2 PHE A 3 4.062 -9.816 13.766 1.00 0.00 H new ATOM 0 HE1 PHE A 3 4.432 -5.393 11.575 1.00 0.00 H new ATOM 0 HE2 PHE A 3 3.521 -9.568 11.369 1.00 0.00 H new ATOM 0 HZ PHE A 3 3.695 -7.360 10.279 1.00 0.00 H new ATOM 32 N SER A 4 7.223 -8.278 18.257 1.00 0.00 N ATOM 33 CA SER A 4 7.379 -7.900 19.686 1.00 0.00 C ATOM 34 C SER A 4 8.467 -6.799 19.862 1.00 0.00 C ATOM 35 O SER A 4 9.659 -7.040 19.639 1.00 0.00 O ATOM 36 CB SER A 4 7.670 -9.156 20.534 1.00 0.00 C ATOM 37 OG SER A 4 7.566 -8.853 21.922 1.00 0.00 O ATOM 0 H SER A 4 7.613 -9.191 18.022 1.00 0.00 H new ATOM 0 HA SER A 4 6.444 -7.468 20.043 1.00 0.00 H new ATOM 0 HB2 SER A 4 6.968 -9.948 20.275 1.00 0.00 H new ATOM 0 HB3 SER A 4 8.669 -9.530 20.311 1.00 0.00 H new ATOM 0 HG SER A 4 7.751 -9.659 22.448 1.00 0.00 H new ATOM 43 N GLY A 5 8.016 -5.585 20.216 1.00 0.00 N ATOM 44 CA GLY A 5 8.879 -4.389 20.231 1.00 0.00 C ATOM 45 C GLY A 5 8.097 -3.101 20.558 1.00 0.00 C ATOM 46 O GLY A 5 6.919 -2.945 20.215 1.00 0.00 O ATOM 0 H GLY A 5 7.053 -5.404 20.498 1.00 0.00 H new ATOM 0 HA2 GLY A 5 9.671 -4.526 20.967 1.00 0.00 H new ATOM 0 HA3 GLY A 5 9.361 -4.281 19.260 1.00 0.00 H new ATOM 50 N LYS A 6 8.806 -2.155 21.196 1.00 0.00 N ATOM 51 CA LYS A 6 8.253 -0.821 21.554 1.00 0.00 C ATOM 52 C LYS A 6 8.578 0.168 20.402 1.00 0.00 C ATOM 53 O LYS A 6 9.736 0.571 20.235 1.00 0.00 O ATOM 54 CB LYS A 6 8.849 -0.312 22.896 1.00 0.00 C ATOM 55 CG LYS A 6 8.538 -1.156 24.151 1.00 0.00 C ATOM 56 CD LYS A 6 9.038 -0.498 25.451 1.00 0.00 C ATOM 57 CE LYS A 6 8.702 -1.334 26.698 1.00 0.00 C ATOM 58 NZ LYS A 6 9.149 -0.663 27.931 1.00 0.00 N ATOM 0 H LYS A 6 9.777 -2.285 21.481 1.00 0.00 H new ATOM 0 HA LYS A 6 7.174 -0.897 21.687 1.00 0.00 H new ATOM 0 HB2 LYS A 6 9.932 -0.249 22.787 1.00 0.00 H new ATOM 0 HB3 LYS A 6 8.487 0.702 23.068 1.00 0.00 H new ATOM 0 HG2 LYS A 6 7.462 -1.314 24.220 1.00 0.00 H new ATOM 0 HG3 LYS A 6 8.998 -2.138 24.046 1.00 0.00 H new ATOM 0 HD2 LYS A 6 10.117 -0.357 25.392 1.00 0.00 H new ATOM 0 HD3 LYS A 6 8.592 0.492 25.549 1.00 0.00 H new ATOM 0 HE2 LYS A 6 7.626 -1.505 26.744 1.00 0.00 H new ATOM 0 HE3 LYS A 6 9.177 -2.312 26.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 8.908 -1.252 28.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 10.179 -0.522 27.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 8.676 0.259 28.015 1.00 0.00 H new ATOM 72 N TYR A 7 7.559 0.526 19.596 1.00 0.00 N ATOM 73 CA TYR A 7 7.762 1.336 18.362 1.00 0.00 C ATOM 74 C TYR A 7 7.182 2.751 18.598 1.00 0.00 C ATOM 75 O TYR A 7 5.958 2.912 18.648 1.00 0.00 O ATOM 76 CB TYR A 7 7.136 0.689 17.089 1.00 0.00 C ATOM 77 CG TYR A 7 7.514 -0.775 16.796 1.00 0.00 C ATOM 78 CD1 TYR A 7 8.757 -1.102 16.245 1.00 0.00 C ATOM 79 CD2 TYR A 7 6.595 -1.795 17.073 1.00 0.00 C ATOM 80 CE1 TYR A 7 9.082 -2.432 15.985 1.00 0.00 C ATOM 81 CE2 TYR A 7 6.920 -3.121 16.809 1.00 0.00 C ATOM 82 CZ TYR A 7 8.162 -3.442 16.270 1.00 0.00 C ATOM 83 OH TYR A 7 8.481 -4.753 16.031 1.00 0.00 O ATOM 0 H TYR A 7 6.587 0.271 19.770 1.00 0.00 H new ATOM 0 HA TYR A 7 8.834 1.388 18.169 1.00 0.00 H new ATOM 0 HB2 TYR A 7 6.051 0.749 17.176 1.00 0.00 H new ATOM 0 HB3 TYR A 7 7.420 1.292 16.227 1.00 0.00 H new ATOM 0 HD1 TYR A 7 9.468 -0.321 16.020 1.00 0.00 H new ATOM 0 HD2 TYR A 7 5.631 -1.551 17.493 1.00 0.00 H new ATOM 0 HE1 TYR A 7 10.045 -2.681 15.563 1.00 0.00 H new ATOM 0 HE2 TYR A 7 6.207 -3.903 17.023 1.00 0.00 H new ATOM 0 HH TYR A 7 8.024 -5.325 16.682 1.00 0.00 H new ATOM 93 N GLN A 8 8.052 3.774 18.731 1.00 0.00 N ATOM 94 CA GLN A 8 7.605 5.185 18.860 1.00 0.00 C ATOM 95 C GLN A 8 7.439 5.827 17.457 1.00 0.00 C ATOM 96 O GLN A 8 8.283 5.687 16.567 1.00 0.00 O ATOM 97 CB GLN A 8 8.525 6.006 19.799 1.00 0.00 C ATOM 98 CG GLN A 8 7.913 7.369 20.210 1.00 0.00 C ATOM 99 CD GLN A 8 8.635 8.131 21.333 1.00 0.00 C ATOM 100 OE1 GLN A 8 9.808 7.920 21.639 1.00 0.00 O ATOM 101 NE2 GLN A 8 7.926 9.063 21.954 1.00 0.00 N ATOM 0 H GLN A 8 9.065 3.655 18.752 1.00 0.00 H new ATOM 0 HA GLN A 8 6.626 5.193 19.339 1.00 0.00 H new ATOM 0 HB2 GLN A 8 8.732 5.422 20.696 1.00 0.00 H new ATOM 0 HB3 GLN A 8 9.480 6.178 19.303 1.00 0.00 H new ATOM 0 HG2 GLN A 8 7.881 8.009 19.328 1.00 0.00 H new ATOM 0 HG3 GLN A 8 6.881 7.201 20.519 1.00 0.00 H new ATOM 0 HE21 GLN A 8 6.955 9.226 21.689 1.00 0.00 H new ATOM 0 HE22 GLN A 8 8.352 9.617 22.697 1.00 0.00 H new ATOM 110 N LEU A 9 6.318 6.547 17.312 1.00 0.00 N ATOM 111 CA LEU A 9 5.885 7.153 16.035 1.00 0.00 C ATOM 112 C LEU A 9 6.732 8.409 15.677 1.00 0.00 C ATOM 113 O LEU A 9 6.750 9.413 16.395 1.00 0.00 O ATOM 114 CB LEU A 9 4.361 7.416 16.170 1.00 0.00 C ATOM 115 CG LEU A 9 3.638 8.063 14.959 1.00 0.00 C ATOM 116 CD1 LEU A 9 3.642 7.186 13.696 1.00 0.00 C ATOM 117 CD2 LEU A 9 2.187 8.392 15.350 1.00 0.00 C ATOM 0 H LEU A 9 5.676 6.730 18.083 1.00 0.00 H new ATOM 0 HA LEU A 9 6.055 6.488 15.188 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.873 6.465 16.385 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.205 8.058 17.037 1.00 0.00 H new ATOM 0 HG LEU A 9 4.193 8.967 14.710 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.119 7.704 12.892 1.00 0.00 H new ATOM 0 HD12 LEU A 9 4.670 6.990 13.393 1.00 0.00 H new ATOM 0 HD13 LEU A 9 3.140 6.242 13.907 1.00 0.00 H new ATOM 0 HD21 LEU A 9 1.676 8.847 14.502 1.00 0.00 H new ATOM 0 HD22 LEU A 9 1.671 7.476 15.636 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.185 9.087 16.190 1.00 0.00 H new ATOM 129 N GLN A 10 7.424 8.298 14.535 1.00 0.00 N ATOM 130 CA GLN A 10 8.301 9.353 13.972 1.00 0.00 C ATOM 131 C GLN A 10 7.510 10.406 13.135 1.00 0.00 C ATOM 132 O GLN A 10 7.625 11.598 13.430 1.00 0.00 O ATOM 133 CB GLN A 10 9.406 8.617 13.165 1.00 0.00 C ATOM 134 CG GLN A 10 10.548 9.491 12.603 1.00 0.00 C ATOM 135 CD GLN A 10 11.435 8.696 11.634 1.00 0.00 C ATOM 136 OE1 GLN A 10 11.244 8.730 10.418 1.00 0.00 O ATOM 137 NE2 GLN A 10 12.388 7.935 12.146 1.00 0.00 N ATOM 0 H GLN A 10 7.394 7.457 13.959 1.00 0.00 H new ATOM 0 HA GLN A 10 8.754 9.950 14.763 1.00 0.00 H new ATOM 0 HB2 GLN A 10 9.845 7.853 13.807 1.00 0.00 H new ATOM 0 HB3 GLN A 10 8.932 8.099 12.332 1.00 0.00 H new ATOM 0 HG2 GLN A 10 10.128 10.355 12.089 1.00 0.00 H new ATOM 0 HG3 GLN A 10 11.154 9.873 13.424 1.00 0.00 H new ATOM 0 HE21 GLN A 10 12.537 7.914 13.155 1.00 0.00 H new ATOM 0 HE22 GLN A 10 12.973 7.369 11.532 1.00 0.00 H new ATOM 146 N SER A 11 6.753 9.982 12.096 1.00 0.00 N ATOM 147 CA SER A 11 6.011 10.903 11.199 1.00 0.00 C ATOM 148 C SER A 11 4.678 10.232 10.780 1.00 0.00 C ATOM 149 O SER A 11 4.676 9.209 10.089 1.00 0.00 O ATOM 150 CB SER A 11 6.880 11.259 9.968 1.00 0.00 C ATOM 151 OG SER A 11 6.214 12.192 9.126 1.00 0.00 O ATOM 0 H SER A 11 6.639 8.997 11.856 1.00 0.00 H new ATOM 0 HA SER A 11 5.784 11.833 11.720 1.00 0.00 H new ATOM 0 HB2 SER A 11 7.831 11.676 10.298 1.00 0.00 H new ATOM 0 HB3 SER A 11 7.108 10.354 9.405 1.00 0.00 H new ATOM 0 HG SER A 11 6.783 12.403 8.357 1.00 0.00 H new ATOM 157 N GLN A 12 3.550 10.856 11.167 1.00 0.00 N ATOM 158 CA GLN A 12 2.197 10.471 10.684 1.00 0.00 C ATOM 159 C GLN A 12 1.767 11.435 9.544 1.00 0.00 C ATOM 160 O GLN A 12 1.393 12.588 9.784 1.00 0.00 O ATOM 161 CB GLN A 12 1.155 10.357 11.831 1.00 0.00 C ATOM 162 CG GLN A 12 1.017 11.539 12.829 1.00 0.00 C ATOM 163 CD GLN A 12 0.074 11.427 14.048 1.00 0.00 C ATOM 164 OE1 GLN A 12 -0.066 12.394 14.795 1.00 0.00 O ATOM 165 NE2 GLN A 12 -0.583 10.305 14.313 1.00 0.00 N ATOM 0 H GLN A 12 3.543 11.639 11.821 1.00 0.00 H new ATOM 0 HA GLN A 12 2.244 9.463 10.272 1.00 0.00 H new ATOM 0 HB2 GLN A 12 0.178 10.192 11.376 1.00 0.00 H new ATOM 0 HB3 GLN A 12 1.393 9.463 12.407 1.00 0.00 H new ATOM 0 HG2 GLN A 12 2.014 11.755 13.212 1.00 0.00 H new ATOM 0 HG3 GLN A 12 0.700 12.410 12.255 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -0.476 9.495 13.702 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -1.195 10.252 15.128 1.00 0.00 H new ATOM 174 N GLU A 13 1.834 10.934 8.298 1.00 0.00 N ATOM 175 CA GLU A 13 1.427 11.692 7.084 1.00 0.00 C ATOM 176 C GLU A 13 -0.102 11.538 6.872 1.00 0.00 C ATOM 177 O GLU A 13 -0.616 10.418 6.852 1.00 0.00 O ATOM 178 CB GLU A 13 2.183 11.171 5.832 1.00 0.00 C ATOM 179 CG GLU A 13 3.710 11.404 5.831 1.00 0.00 C ATOM 180 CD GLU A 13 4.369 10.920 4.537 1.00 0.00 C ATOM 181 OE1 GLU A 13 4.612 9.700 4.400 1.00 0.00 O ATOM 182 OE2 GLU A 13 4.643 11.756 3.648 1.00 0.00 O ATOM 0 H GLU A 13 2.171 9.993 8.096 1.00 0.00 H new ATOM 0 HA GLU A 13 1.678 12.743 7.226 1.00 0.00 H new ATOM 0 HB2 GLU A 13 1.996 10.101 5.736 1.00 0.00 H new ATOM 0 HB3 GLU A 13 1.760 11.649 4.949 1.00 0.00 H new ATOM 0 HG2 GLU A 13 3.914 12.466 5.965 1.00 0.00 H new ATOM 0 HG3 GLU A 13 4.155 10.885 6.680 1.00 0.00 H new ATOM 189 N ASN A 14 -0.816 12.669 6.723 1.00 0.00 N ATOM 190 CA ASN A 14 -2.309 12.713 6.613 1.00 0.00 C ATOM 191 C ASN A 14 -3.081 12.259 7.896 1.00 0.00 C ATOM 192 O ASN A 14 -4.034 11.474 7.821 1.00 0.00 O ATOM 193 CB ASN A 14 -2.865 12.056 5.307 1.00 0.00 C ATOM 194 CG ASN A 14 -2.442 12.680 3.960 1.00 0.00 C ATOM 195 OD1 ASN A 14 -2.040 13.840 3.866 1.00 0.00 O ATOM 196 ND2 ASN A 14 -2.559 11.922 2.882 1.00 0.00 N ATOM 0 H ASN A 14 -0.382 13.591 6.674 1.00 0.00 H new ATOM 0 HA ASN A 14 -2.522 13.779 6.529 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -2.563 11.009 5.302 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -3.954 12.073 5.359 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -2.315 12.298 1.966 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -2.893 10.962 2.967 1.00 0.00 H new ATOM 203 N PHE A 15 -2.723 12.825 9.068 1.00 0.00 N ATOM 204 CA PHE A 15 -3.545 12.726 10.304 1.00 0.00 C ATOM 205 C PHE A 15 -4.904 13.483 10.168 1.00 0.00 C ATOM 206 O PHE A 15 -5.946 12.840 10.284 1.00 0.00 O ATOM 207 CB PHE A 15 -2.681 13.150 11.529 1.00 0.00 C ATOM 208 CG PHE A 15 -3.399 13.109 12.891 1.00 0.00 C ATOM 209 CD1 PHE A 15 -3.482 11.920 13.622 1.00 0.00 C ATOM 210 CD2 PHE A 15 -4.023 14.260 13.386 1.00 0.00 C ATOM 211 CE1 PHE A 15 -4.151 11.891 14.845 1.00 0.00 C ATOM 212 CE2 PHE A 15 -4.724 14.217 14.585 1.00 0.00 C ATOM 213 CZ PHE A 15 -4.771 13.040 15.327 1.00 0.00 C ATOM 0 H PHE A 15 -1.864 13.361 9.189 1.00 0.00 H new ATOM 0 HA PHE A 15 -3.843 11.691 10.469 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -1.808 12.500 11.578 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -2.315 14.163 11.361 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -3.026 11.020 13.238 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -3.959 15.186 12.833 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -4.188 10.977 15.418 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -5.234 15.099 14.942 1.00 0.00 H new ATOM 0 HZ PHE A 15 -5.288 13.019 16.275 1.00 0.00 H new ATOM 223 N GLU A 16 -4.897 14.810 9.934 1.00 0.00 N ATOM 224 CA GLU A 16 -6.141 15.633 9.871 1.00 0.00 C ATOM 225 C GLU A 16 -7.174 15.296 8.750 1.00 0.00 C ATOM 226 O GLU A 16 -8.377 15.351 9.020 1.00 0.00 O ATOM 227 CB GLU A 16 -5.820 17.148 9.964 1.00 0.00 C ATOM 228 CG GLU A 16 -4.798 17.788 8.990 1.00 0.00 C ATOM 229 CD GLU A 16 -5.269 17.950 7.539 1.00 0.00 C ATOM 230 OE1 GLU A 16 -6.210 18.736 7.290 1.00 0.00 O ATOM 231 OE2 GLU A 16 -4.698 17.291 6.641 1.00 0.00 O ATOM 0 H GLU A 16 -4.042 15.346 9.783 1.00 0.00 H new ATOM 0 HA GLU A 16 -6.689 15.330 10.763 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -6.761 17.686 9.845 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -5.467 17.342 10.977 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.524 18.770 9.375 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.893 17.181 8.993 1.00 0.00 H new ATOM 238 N ALA A 17 -6.728 14.915 7.535 1.00 0.00 N ATOM 239 CA ALA A 17 -7.620 14.336 6.490 1.00 0.00 C ATOM 240 C ALA A 17 -8.274 12.963 6.839 1.00 0.00 C ATOM 241 O ALA A 17 -9.434 12.744 6.480 1.00 0.00 O ATOM 242 CB ALA A 17 -6.830 14.244 5.170 1.00 0.00 C ATOM 0 H ALA A 17 -5.753 14.995 7.246 1.00 0.00 H new ATOM 0 HA ALA A 17 -8.470 15.013 6.406 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -7.468 13.822 4.393 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.504 15.240 4.871 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -5.959 13.605 5.311 1.00 0.00 H new ATOM 248 N PHE A 18 -7.545 12.066 7.534 1.00 0.00 N ATOM 249 CA PHE A 18 -8.074 10.744 7.968 1.00 0.00 C ATOM 250 C PHE A 18 -9.007 10.820 9.213 1.00 0.00 C ATOM 251 O PHE A 18 -10.072 10.204 9.173 1.00 0.00 O ATOM 252 CB PHE A 18 -6.883 9.763 8.155 1.00 0.00 C ATOM 253 CG PHE A 18 -7.261 8.274 8.261 1.00 0.00 C ATOM 254 CD1 PHE A 18 -7.323 7.470 7.114 1.00 0.00 C ATOM 255 CD2 PHE A 18 -7.513 7.698 9.512 1.00 0.00 C ATOM 256 CE1 PHE A 18 -7.623 6.115 7.222 1.00 0.00 C ATOM 257 CE2 PHE A 18 -7.808 6.342 9.616 1.00 0.00 C ATOM 258 CZ PHE A 18 -7.870 5.556 8.472 1.00 0.00 C ATOM 0 H PHE A 18 -6.577 12.230 7.812 1.00 0.00 H new ATOM 0 HA PHE A 18 -8.727 10.362 7.183 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -6.198 9.887 7.317 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -6.339 10.047 9.056 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -7.137 7.904 6.143 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -7.478 8.310 10.401 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -7.664 5.498 6.336 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -7.989 5.901 10.585 1.00 0.00 H new ATOM 0 HZ PHE A 18 -8.111 4.506 8.553 1.00 0.00 H new ATOM 268 N MET A 19 -8.620 11.539 10.292 1.00 0.00 N ATOM 269 CA MET A 19 -9.429 11.660 11.541 1.00 0.00 C ATOM 270 C MET A 19 -10.819 12.334 11.371 1.00 0.00 C ATOM 271 O MET A 19 -11.811 11.796 11.868 1.00 0.00 O ATOM 272 CB MET A 19 -8.648 12.368 12.679 1.00 0.00 C ATOM 273 CG MET A 19 -7.364 11.687 13.172 1.00 0.00 C ATOM 274 SD MET A 19 -7.575 9.899 13.307 1.00 0.00 S ATOM 275 CE MET A 19 -6.047 9.329 12.542 1.00 0.00 C ATOM 0 H MET A 19 -7.740 12.054 10.328 1.00 0.00 H new ATOM 0 HA MET A 19 -9.623 10.622 11.813 1.00 0.00 H new ATOM 0 HB2 MET A 19 -8.390 13.371 12.340 1.00 0.00 H new ATOM 0 HB3 MET A 19 -9.319 12.482 13.530 1.00 0.00 H new ATOM 0 HG2 MET A 19 -6.547 11.907 12.485 1.00 0.00 H new ATOM 0 HG3 MET A 19 -7.083 12.096 14.143 1.00 0.00 H new ATOM 0 HE1 MET A 19 -6.133 8.269 12.304 1.00 0.00 H new ATOM 0 HE2 MET A 19 -5.866 9.893 11.627 1.00 0.00 H new ATOM 0 HE3 MET A 19 -5.217 9.480 13.232 1.00 0.00 H new ATOM 285 N LYS A 20 -10.895 13.468 10.645 1.00 0.00 N ATOM 286 CA LYS A 20 -12.176 14.068 10.181 1.00 0.00 C ATOM 287 C LYS A 20 -13.080 13.109 9.330 1.00 0.00 C ATOM 288 O LYS A 20 -14.290 13.065 9.569 1.00 0.00 O ATOM 289 CB LYS A 20 -11.800 15.396 9.461 1.00 0.00 C ATOM 290 CG LYS A 20 -12.945 16.380 9.136 1.00 0.00 C ATOM 291 CD LYS A 20 -13.674 16.119 7.802 1.00 0.00 C ATOM 292 CE LYS A 20 -14.737 17.187 7.488 1.00 0.00 C ATOM 293 NZ LYS A 20 -15.383 16.926 6.190 1.00 0.00 N ATOM 0 H LYS A 20 -10.072 13.999 10.360 1.00 0.00 H new ATOM 0 HA LYS A 20 -12.824 14.267 11.035 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -11.072 15.920 10.080 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -11.299 15.142 8.527 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -13.675 16.343 9.944 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -12.540 17.392 9.119 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -12.944 16.090 6.993 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -14.149 15.139 7.838 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -15.489 17.199 8.277 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -14.273 18.173 7.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -16.095 17.660 6.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -14.666 16.939 5.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -15.844 15.994 6.213 1.00 0.00 H new ATOM 307 N ALA A 21 -12.503 12.346 8.374 1.00 0.00 N ATOM 308 CA ALA A 21 -13.249 11.363 7.543 1.00 0.00 C ATOM 309 C ALA A 21 -13.840 10.125 8.287 1.00 0.00 C ATOM 310 O ALA A 21 -15.006 9.794 8.051 1.00 0.00 O ATOM 311 CB ALA A 21 -12.348 10.941 6.366 1.00 0.00 C ATOM 0 H ALA A 21 -11.508 12.391 8.154 1.00 0.00 H new ATOM 0 HA ALA A 21 -14.146 11.878 7.199 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -12.877 10.219 5.743 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -12.094 11.817 5.770 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -11.435 10.487 6.751 1.00 0.00 H new ATOM 317 N ILE A 22 -13.078 9.465 9.187 1.00 0.00 N ATOM 318 CA ILE A 22 -13.611 8.383 10.082 1.00 0.00 C ATOM 319 C ILE A 22 -14.652 8.861 11.156 1.00 0.00 C ATOM 320 O ILE A 22 -15.596 8.117 11.440 1.00 0.00 O ATOM 321 CB ILE A 22 -12.475 7.490 10.703 1.00 0.00 C ATOM 322 CG1 ILE A 22 -11.514 8.252 11.660 1.00 0.00 C ATOM 323 CG2 ILE A 22 -11.699 6.707 9.616 1.00 0.00 C ATOM 324 CD1 ILE A 22 -10.483 7.409 12.425 1.00 0.00 C ATOM 0 H ILE A 22 -12.085 9.655 9.322 1.00 0.00 H new ATOM 0 HA ILE A 22 -14.187 7.747 9.410 1.00 0.00 H new ATOM 0 HB ILE A 22 -12.994 6.768 11.333 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -10.976 8.999 11.076 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -12.119 8.792 12.389 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -10.923 6.103 10.087 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -12.387 6.057 9.075 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -11.240 7.409 8.920 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -9.877 8.060 13.055 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -11.000 6.679 13.048 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -9.839 6.889 11.715 1.00 0.00 H new ATOM 336 N GLY A 23 -14.484 10.069 11.734 1.00 0.00 N ATOM 337 CA GLY A 23 -15.474 10.693 12.643 1.00 0.00 C ATOM 338 C GLY A 23 -14.955 10.972 14.066 1.00 0.00 C ATOM 339 O GLY A 23 -15.532 10.463 15.030 1.00 0.00 O ATOM 0 H GLY A 23 -13.654 10.643 11.584 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -15.810 11.632 12.203 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -16.346 10.042 12.710 1.00 0.00 H new ATOM 343 N LEU A 24 -13.913 11.818 14.197 1.00 0.00 N ATOM 344 CA LEU A 24 -13.406 12.291 15.517 1.00 0.00 C ATOM 345 C LEU A 24 -13.905 13.752 15.774 1.00 0.00 C ATOM 346 O LEU A 24 -13.800 14.578 14.860 1.00 0.00 O ATOM 347 CB LEU A 24 -11.848 12.237 15.606 1.00 0.00 C ATOM 348 CG LEU A 24 -11.222 10.896 16.073 1.00 0.00 C ATOM 349 CD1 LEU A 24 -11.485 9.749 15.100 1.00 0.00 C ATOM 350 CD2 LEU A 24 -9.701 10.998 16.295 1.00 0.00 C ATOM 0 H LEU A 24 -13.397 12.195 13.402 1.00 0.00 H new ATOM 0 HA LEU A 24 -13.797 11.621 16.282 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -11.443 12.478 14.623 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -11.519 13.022 16.287 1.00 0.00 H new ATOM 0 HG LEU A 24 -11.714 10.682 17.022 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -11.023 8.837 15.479 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -12.560 9.597 14.999 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -11.060 9.993 14.126 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -9.315 10.032 16.621 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -9.216 11.287 15.363 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -9.494 11.748 17.059 1.00 0.00 H new ATOM 362 N PRO A 25 -14.371 14.148 16.998 1.00 0.00 N ATOM 363 CA PRO A 25 -14.622 15.575 17.340 1.00 0.00 C ATOM 364 C PRO A 25 -13.308 16.409 17.506 1.00 0.00 C ATOM 365 O PRO A 25 -12.194 15.885 17.389 1.00 0.00 O ATOM 366 CB PRO A 25 -15.443 15.423 18.642 1.00 0.00 C ATOM 367 CG PRO A 25 -14.921 14.150 19.311 1.00 0.00 C ATOM 368 CD PRO A 25 -14.582 13.232 18.139 1.00 0.00 C ATOM 0 HA PRO A 25 -15.138 16.141 16.564 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -15.312 16.289 19.291 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -16.509 15.344 18.427 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -14.044 14.353 19.926 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -15.672 13.705 19.963 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -13.689 12.641 18.343 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -15.391 12.529 17.939 1.00 0.00 H new ATOM 376 N GLU A 26 -13.446 17.709 17.827 1.00 0.00 N ATOM 377 CA GLU A 26 -12.290 18.562 18.247 1.00 0.00 C ATOM 378 C GLU A 26 -11.479 18.053 19.494 1.00 0.00 C ATOM 379 O GLU A 26 -10.272 18.296 19.553 1.00 0.00 O ATOM 380 CB GLU A 26 -12.793 20.022 18.421 1.00 0.00 C ATOM 381 CG GLU A 26 -11.679 21.092 18.498 1.00 0.00 C ATOM 382 CD GLU A 26 -12.227 22.516 18.609 1.00 0.00 C ATOM 383 OE1 GLU A 26 -12.509 22.970 19.740 1.00 0.00 O ATOM 384 OE2 GLU A 26 -12.380 23.189 17.565 1.00 0.00 O ATOM 0 H GLU A 26 -14.339 18.202 17.807 1.00 0.00 H new ATOM 0 HA GLU A 26 -11.549 18.503 17.450 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -13.452 20.265 17.588 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -13.393 20.078 19.329 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -11.043 20.885 19.358 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -11.050 21.018 17.611 1.00 0.00 H new ATOM 391 N GLU A 27 -12.104 17.316 20.443 1.00 0.00 N ATOM 392 CA GLU A 27 -11.400 16.608 21.545 1.00 0.00 C ATOM 393 C GLU A 27 -10.311 15.595 21.063 1.00 0.00 C ATOM 394 O GLU A 27 -9.152 15.769 21.447 1.00 0.00 O ATOM 395 CB GLU A 27 -12.475 15.971 22.469 1.00 0.00 C ATOM 396 CG GLU A 27 -11.931 15.377 23.785 1.00 0.00 C ATOM 397 CD GLU A 27 -13.012 14.681 24.615 1.00 0.00 C ATOM 398 OE1 GLU A 27 -13.261 13.475 24.394 1.00 0.00 O ATOM 399 OE2 GLU A 27 -13.619 15.337 25.491 1.00 0.00 O ATOM 0 H GLU A 27 -13.116 17.194 20.468 1.00 0.00 H new ATOM 0 HA GLU A 27 -10.816 17.333 22.112 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -13.221 16.728 22.710 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -12.988 15.184 21.916 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -11.140 14.663 23.556 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -11.480 16.173 24.378 1.00 0.00 H new ATOM 406 N LEU A 28 -10.651 14.566 20.251 1.00 0.00 N ATOM 407 CA LEU A 28 -9.680 13.515 19.839 1.00 0.00 C ATOM 408 C LEU A 28 -8.694 13.922 18.696 1.00 0.00 C ATOM 409 O LEU A 28 -7.552 13.456 18.728 1.00 0.00 O ATOM 410 CB LEU A 28 -10.432 12.193 19.518 1.00 0.00 C ATOM 411 CG LEU A 28 -11.241 11.511 20.661 1.00 0.00 C ATOM 412 CD1 LEU A 28 -12.085 10.347 20.106 1.00 0.00 C ATOM 413 CD2 LEU A 28 -10.345 11.000 21.808 1.00 0.00 C ATOM 0 H LEU A 28 -11.587 14.438 19.867 1.00 0.00 H new ATOM 0 HA LEU A 28 -9.024 13.365 20.697 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -11.120 12.392 18.696 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -9.699 11.473 19.153 1.00 0.00 H new ATOM 0 HG LEU A 28 -11.895 12.278 21.076 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -12.643 9.883 20.919 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -12.781 10.727 19.358 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -11.428 9.607 19.648 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -10.965 10.535 22.574 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -9.638 10.267 21.419 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -9.798 11.837 22.242 1.00 0.00 H new ATOM 425 N ILE A 29 -9.073 14.790 17.725 1.00 0.00 N ATOM 426 CA ILE A 29 -8.124 15.364 16.711 1.00 0.00 C ATOM 427 C ILE A 29 -6.972 16.167 17.413 1.00 0.00 C ATOM 428 O ILE A 29 -5.803 15.802 17.258 1.00 0.00 O ATOM 429 CB ILE A 29 -8.844 16.204 15.584 1.00 0.00 C ATOM 430 CG1 ILE A 29 -10.003 15.459 14.856 1.00 0.00 C ATOM 431 CG2 ILE A 29 -7.835 16.714 14.514 1.00 0.00 C ATOM 432 CD1 ILE A 29 -10.981 16.356 14.079 1.00 0.00 C ATOM 0 H ILE A 29 -10.033 15.116 17.614 1.00 0.00 H new ATOM 0 HA ILE A 29 -7.673 14.520 16.190 1.00 0.00 H new ATOM 0 HB ILE A 29 -9.286 17.041 16.125 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -9.569 14.738 14.163 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -10.567 14.891 15.595 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -8.368 17.287 13.756 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -7.089 17.349 14.991 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -7.341 15.863 14.045 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -11.748 15.738 13.611 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -11.452 17.061 14.765 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -10.438 16.906 13.310 1.00 0.00 H new ATOM 444 N GLN A 30 -7.302 17.214 18.196 1.00 0.00 N ATOM 445 CA GLN A 30 -6.295 18.023 18.945 1.00 0.00 C ATOM 446 C GLN A 30 -5.440 17.282 20.028 1.00 0.00 C ATOM 447 O GLN A 30 -4.331 17.736 20.324 1.00 0.00 O ATOM 448 CB GLN A 30 -6.960 19.287 19.565 1.00 0.00 C ATOM 449 CG GLN A 30 -7.748 20.241 18.630 1.00 0.00 C ATOM 450 CD GLN A 30 -6.917 20.933 17.538 1.00 0.00 C ATOM 451 OE1 GLN A 30 -6.056 21.766 17.818 1.00 0.00 O ATOM 452 NE2 GLN A 30 -7.162 20.615 16.274 1.00 0.00 N ATOM 0 H GLN A 30 -8.263 17.528 18.332 1.00 0.00 H new ATOM 0 HA GLN A 30 -5.569 18.288 18.177 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -7.641 18.953 20.348 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -6.177 19.870 20.050 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -8.546 19.674 18.150 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -8.224 21.008 19.240 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -7.878 19.923 16.052 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -6.635 21.062 15.524 1.00 0.00 H new ATOM 461 N LYS A 31 -5.926 16.156 20.589 1.00 0.00 N ATOM 462 CA LYS A 31 -5.173 15.314 21.556 1.00 0.00 C ATOM 463 C LYS A 31 -3.901 14.612 20.983 1.00 0.00 C ATOM 464 O LYS A 31 -2.841 14.708 21.611 1.00 0.00 O ATOM 465 CB LYS A 31 -6.205 14.326 22.167 1.00 0.00 C ATOM 466 CG LYS A 31 -5.708 13.441 23.329 1.00 0.00 C ATOM 467 CD LYS A 31 -6.764 12.464 23.882 1.00 0.00 C ATOM 468 CE LYS A 31 -7.924 13.125 24.650 1.00 0.00 C ATOM 469 NZ LYS A 31 -8.837 12.117 25.219 1.00 0.00 N ATOM 0 H LYS A 31 -6.859 15.798 20.385 1.00 0.00 H new ATOM 0 HA LYS A 31 -4.735 15.952 22.323 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -7.061 14.902 22.519 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -6.565 13.674 21.371 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -4.844 12.869 22.990 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -5.367 14.085 24.140 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -7.178 11.892 23.052 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -6.268 11.753 24.544 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -7.524 13.748 25.450 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -8.478 13.783 23.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -9.607 12.595 25.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -9.237 11.539 24.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -8.313 11.506 25.877 1.00 0.00 H new ATOM 483 N GLY A 32 -4.008 13.913 19.837 1.00 0.00 N ATOM 484 CA GLY A 32 -2.849 13.238 19.200 1.00 0.00 C ATOM 485 C GLY A 32 -2.345 13.797 17.851 1.00 0.00 C ATOM 486 O GLY A 32 -1.748 13.025 17.094 1.00 0.00 O ATOM 0 H GLY A 32 -4.885 13.798 19.329 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -2.018 13.262 19.905 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -3.111 12.190 19.052 1.00 0.00 H new ATOM 490 N LYS A 33 -2.507 15.108 17.562 1.00 0.00 N ATOM 491 CA LYS A 33 -1.879 15.767 16.381 1.00 0.00 C ATOM 492 C LYS A 33 -0.347 15.991 16.561 1.00 0.00 C ATOM 493 O LYS A 33 0.448 15.368 15.849 1.00 0.00 O ATOM 494 CB LYS A 33 -2.675 17.018 15.911 1.00 0.00 C ATOM 495 CG LYS A 33 -2.869 18.191 16.905 1.00 0.00 C ATOM 496 CD LYS A 33 -3.734 19.352 16.364 1.00 0.00 C ATOM 497 CE LYS A 33 -3.048 20.384 15.445 1.00 0.00 C ATOM 498 NZ LYS A 33 -2.726 19.880 14.097 1.00 0.00 N ATOM 0 H LYS A 33 -3.070 15.739 18.132 1.00 0.00 H new ATOM 0 HA LYS A 33 -1.948 15.069 15.546 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -2.177 17.413 15.026 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.664 16.683 15.598 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -3.328 17.807 17.816 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -1.890 18.582 17.182 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -4.573 18.920 15.818 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -4.151 19.887 17.217 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -3.697 21.255 15.349 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -2.128 20.723 15.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -2.642 20.680 13.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -1.826 19.360 14.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -3.483 19.244 13.774 1.00 0.00 H new ATOM 512 N ASP A 34 0.054 16.834 17.531 1.00 0.00 N ATOM 513 CA ASP A 34 1.478 17.054 17.900 1.00 0.00 C ATOM 514 C ASP A 34 2.114 15.870 18.699 1.00 0.00 C ATOM 515 O ASP A 34 3.261 15.517 18.408 1.00 0.00 O ATOM 516 CB ASP A 34 1.567 18.414 18.650 1.00 0.00 C ATOM 517 CG ASP A 34 2.991 18.921 18.918 1.00 0.00 C ATOM 518 OD1 ASP A 34 3.595 19.540 18.013 1.00 0.00 O ATOM 519 OD2 ASP A 34 3.511 18.699 20.034 1.00 0.00 O ATOM 0 H ASP A 34 -0.598 17.387 18.087 1.00 0.00 H new ATOM 0 HA ASP A 34 2.079 17.092 16.992 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.034 19.167 18.069 1.00 0.00 H new ATOM 0 HB3 ASP A 34 1.047 18.320 19.603 1.00 0.00 H new ATOM 524 N ILE A 35 1.405 15.284 19.691 1.00 0.00 N ATOM 525 CA ILE A 35 1.957 14.212 20.564 1.00 0.00 C ATOM 526 C ILE A 35 1.723 12.860 19.819 1.00 0.00 C ATOM 527 O ILE A 35 0.584 12.409 19.647 1.00 0.00 O ATOM 528 CB ILE A 35 1.349 14.215 22.014 1.00 0.00 C ATOM 529 CG1 ILE A 35 1.264 15.610 22.714 1.00 0.00 C ATOM 530 CG2 ILE A 35 2.145 13.235 22.919 1.00 0.00 C ATOM 531 CD1 ILE A 35 0.240 15.686 23.858 1.00 0.00 C ATOM 0 H ILE A 35 0.441 15.535 19.911 1.00 0.00 H new ATOM 0 HA ILE A 35 3.021 14.381 20.730 1.00 0.00 H new ATOM 0 HB ILE A 35 0.315 13.897 21.882 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.248 15.867 23.106 1.00 0.00 H new ATOM 0 HG13 ILE A 35 1.012 16.363 21.967 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.720 13.240 23.923 1.00 0.00 H new ATOM 0 HG22 ILE A 35 2.086 12.228 22.505 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.188 13.548 22.965 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.247 16.688 24.287 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.755 15.464 23.471 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.500 14.960 24.628 1.00 0.00 H new ATOM 543 N LYS A 36 2.830 12.247 19.370 1.00 0.00 N ATOM 544 CA LYS A 36 2.801 11.078 18.450 1.00 0.00 C ATOM 545 C LYS A 36 2.695 9.737 19.238 1.00 0.00 C ATOM 546 O LYS A 36 1.659 9.071 19.137 1.00 0.00 O ATOM 547 CB LYS A 36 4.000 11.176 17.463 1.00 0.00 C ATOM 548 CG LYS A 36 3.901 12.339 16.446 1.00 0.00 C ATOM 549 CD LYS A 36 5.093 12.415 15.468 1.00 0.00 C ATOM 550 CE LYS A 36 5.111 13.676 14.579 1.00 0.00 C ATOM 551 NZ LYS A 36 4.046 13.697 13.559 1.00 0.00 N ATOM 0 H LYS A 36 3.772 12.540 19.628 1.00 0.00 H new ATOM 0 HA LYS A 36 1.899 11.092 17.838 1.00 0.00 H new ATOM 0 HB2 LYS A 36 4.919 11.290 18.038 1.00 0.00 H new ATOM 0 HB3 LYS A 36 4.081 10.237 16.915 1.00 0.00 H new ATOM 0 HG2 LYS A 36 2.980 12.231 15.874 1.00 0.00 H new ATOM 0 HG3 LYS A 36 3.829 13.280 16.991 1.00 0.00 H new ATOM 0 HD2 LYS A 36 6.020 12.376 16.041 1.00 0.00 H new ATOM 0 HD3 LYS A 36 5.077 11.534 14.827 1.00 0.00 H new ATOM 0 HE2 LYS A 36 5.013 14.558 15.212 1.00 0.00 H new ATOM 0 HE3 LYS A 36 6.079 13.746 14.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 3.907 14.671 13.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 4.319 13.090 12.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 3.160 13.344 13.975 1.00 0.00 H new ATOM 565 N GLY A 37 3.715 9.360 20.037 1.00 0.00 N ATOM 566 CA GLY A 37 3.573 8.299 21.064 1.00 0.00 C ATOM 567 C GLY A 37 3.781 6.841 20.596 1.00 0.00 C ATOM 568 O GLY A 37 3.985 6.556 19.412 1.00 0.00 O ATOM 0 H GLY A 37 4.647 9.773 19.993 1.00 0.00 H new ATOM 0 HA2 GLY A 37 4.285 8.503 21.864 1.00 0.00 H new ATOM 0 HA3 GLY A 37 2.576 8.377 21.497 1.00 0.00 H new ATOM 572 N VAL A 38 3.749 5.919 21.577 1.00 0.00 N ATOM 573 CA VAL A 38 4.252 4.527 21.390 1.00 0.00 C ATOM 574 C VAL A 38 3.066 3.586 21.009 1.00 0.00 C ATOM 575 O VAL A 38 2.185 3.304 21.828 1.00 0.00 O ATOM 576 CB VAL A 38 5.068 4.003 22.629 1.00 0.00 C ATOM 577 CG1 VAL A 38 5.756 2.641 22.357 1.00 0.00 C ATOM 578 CG2 VAL A 38 6.175 4.967 23.128 1.00 0.00 C ATOM 0 H VAL A 38 3.382 6.104 22.510 1.00 0.00 H new ATOM 0 HA VAL A 38 4.965 4.530 20.565 1.00 0.00 H new ATOM 0 HB VAL A 38 4.301 3.912 23.398 1.00 0.00 H new ATOM 0 HG11 VAL A 38 6.305 2.327 23.245 1.00 0.00 H new ATOM 0 HG12 VAL A 38 5.000 1.894 22.114 1.00 0.00 H new ATOM 0 HG13 VAL A 38 6.447 2.743 21.520 1.00 0.00 H new ATOM 0 HG21 VAL A 38 6.685 4.524 23.984 1.00 0.00 H new ATOM 0 HG22 VAL A 38 6.894 5.141 22.327 1.00 0.00 H new ATOM 0 HG23 VAL A 38 5.726 5.915 23.424 1.00 0.00 H new ATOM 588 N SER A 39 3.125 3.050 19.775 1.00 0.00 N ATOM 589 CA SER A 39 2.332 1.866 19.354 1.00 0.00 C ATOM 590 C SER A 39 3.138 0.584 19.719 1.00 0.00 C ATOM 591 O SER A 39 4.186 0.308 19.123 1.00 0.00 O ATOM 592 CB SER A 39 2.059 1.948 17.833 1.00 0.00 C ATOM 593 OG SER A 39 1.237 3.064 17.507 1.00 0.00 O ATOM 0 H SER A 39 3.723 3.422 19.037 1.00 0.00 H new ATOM 0 HA SER A 39 1.370 1.837 19.866 1.00 0.00 H new ATOM 0 HB2 SER A 39 3.005 2.023 17.297 1.00 0.00 H new ATOM 0 HB3 SER A 39 1.576 1.030 17.500 1.00 0.00 H new ATOM 0 HG SER A 39 1.086 3.087 16.539 1.00 0.00 H new ATOM 599 N GLU A 40 2.671 -0.151 20.746 1.00 0.00 N ATOM 600 CA GLU A 40 3.500 -1.165 21.454 1.00 0.00 C ATOM 601 C GLU A 40 2.921 -2.585 21.212 1.00 0.00 C ATOM 602 O GLU A 40 2.041 -3.027 21.957 1.00 0.00 O ATOM 603 CB GLU A 40 3.542 -0.754 22.954 1.00 0.00 C ATOM 604 CG GLU A 40 4.493 -1.596 23.827 1.00 0.00 C ATOM 605 CD GLU A 40 4.655 -1.023 25.239 1.00 0.00 C ATOM 606 OE1 GLU A 40 5.414 -0.044 25.410 1.00 0.00 O ATOM 607 OE2 GLU A 40 4.023 -1.548 26.182 1.00 0.00 O ATOM 0 H GLU A 40 1.722 -0.066 21.110 1.00 0.00 H new ATOM 0 HA GLU A 40 4.522 -1.200 21.077 1.00 0.00 H new ATOM 0 HB2 GLU A 40 3.840 0.292 23.022 1.00 0.00 H new ATOM 0 HB3 GLU A 40 2.535 -0.826 23.365 1.00 0.00 H new ATOM 0 HG2 GLU A 40 4.113 -2.615 23.893 1.00 0.00 H new ATOM 0 HG3 GLU A 40 5.470 -1.651 23.346 1.00 0.00 H new ATOM 614 N ILE A 41 3.435 -3.301 20.190 1.00 0.00 N ATOM 615 CA ILE A 41 2.932 -4.655 19.815 1.00 0.00 C ATOM 616 C ILE A 41 3.723 -5.714 20.644 1.00 0.00 C ATOM 617 O ILE A 41 4.954 -5.666 20.711 1.00 0.00 O ATOM 618 CB ILE A 41 3.022 -4.966 18.272 1.00 0.00 C ATOM 619 CG1 ILE A 41 2.548 -3.832 17.314 1.00 0.00 C ATOM 620 CG2 ILE A 41 2.275 -6.288 17.924 1.00 0.00 C ATOM 621 CD1 ILE A 41 3.010 -3.993 15.859 1.00 0.00 C ATOM 0 H ILE A 41 4.201 -2.969 19.603 1.00 0.00 H new ATOM 0 HA ILE A 41 1.868 -4.692 20.047 1.00 0.00 H new ATOM 0 HB ILE A 41 4.093 -5.063 18.093 1.00 0.00 H new ATOM 0 HG12 ILE A 41 1.459 -3.789 17.333 1.00 0.00 H new ATOM 0 HG13 ILE A 41 2.912 -2.877 17.694 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.353 -6.479 16.854 1.00 0.00 H new ATOM 0 HG22 ILE A 41 2.724 -7.115 18.474 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.225 -6.196 18.201 1.00 0.00 H new ATOM 0 HD11 ILE A 41 2.635 -3.160 15.264 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.099 -4.004 15.822 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.624 -4.929 15.456 1.00 0.00 H new ATOM 633 N VAL A 42 2.996 -6.693 21.211 1.00 0.00 N ATOM 634 CA VAL A 42 3.577 -7.947 21.746 1.00 0.00 C ATOM 635 C VAL A 42 3.080 -9.130 20.852 1.00 0.00 C ATOM 636 O VAL A 42 1.875 -9.371 20.725 1.00 0.00 O ATOM 637 CB VAL A 42 3.276 -8.084 23.277 1.00 0.00 C ATOM 638 CG1 VAL A 42 1.790 -8.240 23.688 1.00 0.00 C ATOM 639 CG2 VAL A 42 4.106 -9.217 23.905 1.00 0.00 C ATOM 0 H VAL A 42 1.983 -6.640 21.314 1.00 0.00 H new ATOM 0 HA VAL A 42 4.666 -7.950 21.692 1.00 0.00 H new ATOM 0 HB VAL A 42 3.571 -7.112 23.671 1.00 0.00 H new ATOM 0 HG11 VAL A 42 1.719 -8.325 24.772 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.227 -7.368 23.355 1.00 0.00 H new ATOM 0 HG13 VAL A 42 1.377 -9.137 23.226 1.00 0.00 H new ATOM 0 HG21 VAL A 42 3.877 -9.290 24.968 1.00 0.00 H new ATOM 0 HG22 VAL A 42 3.863 -10.160 23.416 1.00 0.00 H new ATOM 0 HG23 VAL A 42 5.167 -9.005 23.776 1.00 0.00 H new ATOM 649 N GLN A 43 4.034 -9.878 20.266 1.00 0.00 N ATOM 650 CA GLN A 43 3.752 -11.165 19.574 1.00 0.00 C ATOM 651 C GLN A 43 3.889 -12.322 20.604 1.00 0.00 C ATOM 652 O GLN A 43 4.953 -12.508 21.206 1.00 0.00 O ATOM 653 CB GLN A 43 4.710 -11.324 18.361 1.00 0.00 C ATOM 654 CG GLN A 43 4.502 -12.616 17.534 1.00 0.00 C ATOM 655 CD GLN A 43 5.303 -12.649 16.222 1.00 0.00 C ATOM 656 OE1 GLN A 43 5.008 -11.927 15.269 1.00 0.00 O ATOM 657 NE2 GLN A 43 6.318 -13.495 16.135 1.00 0.00 N ATOM 0 H GLN A 43 5.019 -9.615 20.255 1.00 0.00 H new ATOM 0 HA GLN A 43 2.736 -11.186 19.180 1.00 0.00 H new ATOM 0 HB2 GLN A 43 4.586 -10.464 17.703 1.00 0.00 H new ATOM 0 HB3 GLN A 43 5.738 -11.303 18.723 1.00 0.00 H new ATOM 0 HG2 GLN A 43 4.784 -13.475 18.143 1.00 0.00 H new ATOM 0 HG3 GLN A 43 3.442 -12.722 17.304 1.00 0.00 H new ATOM 0 HE21 GLN A 43 6.556 -14.090 16.929 1.00 0.00 H new ATOM 0 HE22 GLN A 43 6.862 -13.552 15.274 1.00 0.00 H new ATOM 666 N ASN A 44 2.808 -13.108 20.762 1.00 0.00 N ATOM 667 CA ASN A 44 2.832 -14.374 21.545 1.00 0.00 C ATOM 668 C ASN A 44 2.255 -15.511 20.649 1.00 0.00 C ATOM 669 O ASN A 44 1.122 -15.966 20.846 1.00 0.00 O ATOM 670 CB ASN A 44 2.074 -14.222 22.899 1.00 0.00 C ATOM 671 CG ASN A 44 2.677 -13.221 23.907 1.00 0.00 C ATOM 672 OD1 ASN A 44 3.837 -13.327 24.302 1.00 0.00 O ATOM 673 ND2 ASN A 44 1.903 -12.240 24.346 1.00 0.00 N ATOM 0 H ASN A 44 1.897 -12.893 20.357 1.00 0.00 H new ATOM 0 HA ASN A 44 3.856 -14.630 21.818 1.00 0.00 H new ATOM 0 HB2 ASN A 44 1.049 -13.919 22.686 1.00 0.00 H new ATOM 0 HB3 ASN A 44 2.024 -15.201 23.376 1.00 0.00 H new ATOM 0 HD21 ASN A 44 2.268 -11.564 25.017 1.00 0.00 H new ATOM 0 HD22 ASN A 44 0.942 -12.160 24.013 1.00 0.00 H new ATOM 680 N GLY A 45 3.043 -15.949 19.642 1.00 0.00 N ATOM 681 CA GLY A 45 2.603 -16.952 18.645 1.00 0.00 C ATOM 682 C GLY A 45 1.507 -16.428 17.691 1.00 0.00 C ATOM 683 O GLY A 45 1.732 -15.473 16.941 1.00 0.00 O ATOM 0 H GLY A 45 3.997 -15.619 19.497 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.464 -17.271 18.057 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.229 -17.833 19.167 1.00 0.00 H new ATOM 687 N LYS A 46 0.315 -17.045 17.775 1.00 0.00 N ATOM 688 CA LYS A 46 -0.920 -16.517 17.127 1.00 0.00 C ATOM 689 C LYS A 46 -1.669 -15.371 17.883 1.00 0.00 C ATOM 690 O LYS A 46 -2.404 -14.631 17.227 1.00 0.00 O ATOM 691 CB LYS A 46 -1.888 -17.674 16.750 1.00 0.00 C ATOM 692 CG LYS A 46 -2.534 -18.480 17.906 1.00 0.00 C ATOM 693 CD LYS A 46 -3.666 -19.437 17.477 1.00 0.00 C ATOM 694 CE LYS A 46 -3.215 -20.628 16.609 1.00 0.00 C ATOM 695 NZ LYS A 46 -4.350 -21.508 16.277 1.00 0.00 N ATOM 0 H LYS A 46 0.171 -17.916 18.286 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.555 -16.028 16.224 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.691 -17.255 16.144 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -1.343 -18.374 16.117 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -1.757 -19.060 18.404 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -2.929 -17.779 18.641 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -4.154 -19.823 18.372 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -4.414 -18.867 16.926 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -2.757 -20.259 15.691 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -2.452 -21.199 17.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -4.015 -22.300 15.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -4.770 -21.878 17.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -5.066 -20.968 15.751 1.00 0.00 H new ATOM 709 N HIS A 47 -1.530 -15.239 19.220 1.00 0.00 N ATOM 710 CA HIS A 47 -2.279 -14.247 20.036 1.00 0.00 C ATOM 711 C HIS A 47 -1.466 -12.929 20.138 1.00 0.00 C ATOM 712 O HIS A 47 -0.323 -12.916 20.604 1.00 0.00 O ATOM 713 CB HIS A 47 -2.569 -14.819 21.451 1.00 0.00 C ATOM 714 CG HIS A 47 -3.605 -15.947 21.490 1.00 0.00 C ATOM 715 ND1 HIS A 47 -3.298 -17.296 21.495 1.00 0.00 N ATOM 716 CD2 HIS A 47 -5.002 -15.776 21.468 1.00 0.00 C ATOM 717 CE1 HIS A 47 -4.560 -17.825 21.455 1.00 0.00 C ATOM 718 NE2 HIS A 47 -5.658 -16.999 21.441 1.00 0.00 N ATOM 0 H HIS A 47 -0.894 -15.817 19.769 1.00 0.00 H new ATOM 0 HA HIS A 47 -3.232 -14.036 19.551 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -1.636 -15.188 21.876 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -2.913 -14.007 22.092 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -5.499 -14.817 21.472 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -4.693 -18.897 21.434 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -6.654 -17.218 21.418 1.00 0.00 H new ATOM 726 N PHE A 48 -2.093 -11.832 19.689 1.00 0.00 N ATOM 727 CA PHE A 48 -1.454 -10.492 19.602 1.00 0.00 C ATOM 728 C PHE A 48 -2.243 -9.446 20.431 1.00 0.00 C ATOM 729 O PHE A 48 -3.475 -9.486 20.524 1.00 0.00 O ATOM 730 CB PHE A 48 -1.395 -10.026 18.122 1.00 0.00 C ATOM 731 CG PHE A 48 -0.339 -10.698 17.230 1.00 0.00 C ATOM 732 CD1 PHE A 48 -0.627 -11.910 16.596 1.00 0.00 C ATOM 733 CD2 PHE A 48 0.880 -10.062 16.967 1.00 0.00 C ATOM 734 CE1 PHE A 48 0.296 -12.494 15.734 1.00 0.00 C ATOM 735 CE2 PHE A 48 1.790 -10.632 16.080 1.00 0.00 C ATOM 736 CZ PHE A 48 1.500 -11.848 15.469 1.00 0.00 C ATOM 0 H PHE A 48 -3.063 -11.840 19.372 1.00 0.00 H new ATOM 0 HA PHE A 48 -0.445 -10.575 20.005 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -2.375 -10.191 17.674 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -1.216 -8.951 18.110 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -1.574 -12.397 16.777 1.00 0.00 H new ATOM 0 HD2 PHE A 48 1.115 -9.127 17.453 1.00 0.00 H new ATOM 0 HE1 PHE A 48 0.079 -13.446 15.272 1.00 0.00 H new ATOM 0 HE2 PHE A 48 2.722 -10.130 15.866 1.00 0.00 H new ATOM 0 HZ PHE A 48 2.211 -12.292 14.788 1.00 0.00 H new ATOM 746 N LYS A 49 -1.502 -8.464 20.976 1.00 0.00 N ATOM 747 CA LYS A 49 -2.089 -7.249 21.597 1.00 0.00 C ATOM 748 C LYS A 49 -1.174 -6.033 21.275 1.00 0.00 C ATOM 749 O LYS A 49 0.050 -6.117 21.411 1.00 0.00 O ATOM 750 CB LYS A 49 -2.283 -7.458 23.124 1.00 0.00 C ATOM 751 CG LYS A 49 -3.121 -6.358 23.814 1.00 0.00 C ATOM 752 CD LYS A 49 -3.367 -6.583 25.320 1.00 0.00 C ATOM 753 CE LYS A 49 -2.141 -6.493 26.253 1.00 0.00 C ATOM 754 NZ LYS A 49 -1.546 -5.144 26.313 1.00 0.00 N ATOM 0 H LYS A 49 -0.483 -8.484 21.001 1.00 0.00 H new ATOM 0 HA LYS A 49 -3.079 -7.052 21.184 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -2.764 -8.422 23.289 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.304 -7.505 23.600 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -2.618 -5.400 23.681 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -4.084 -6.284 23.310 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -4.102 -5.852 25.656 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -3.817 -7.568 25.446 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -2.436 -6.797 27.258 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -1.384 -7.201 25.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -0.729 -5.153 26.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -1.235 -4.859 25.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -2.254 -4.468 26.663 1.00 0.00 H new ATOM 768 N PHE A 50 -1.780 -4.896 20.884 1.00 0.00 N ATOM 769 CA PHE A 50 -1.045 -3.629 20.632 1.00 0.00 C ATOM 770 C PHE A 50 -1.785 -2.424 21.268 1.00 0.00 C ATOM 771 O PHE A 50 -2.954 -2.168 20.960 1.00 0.00 O ATOM 772 CB PHE A 50 -0.678 -3.427 19.141 1.00 0.00 C ATOM 773 CG PHE A 50 -1.777 -3.207 18.085 1.00 0.00 C ATOM 774 CD1 PHE A 50 -2.401 -4.306 17.485 1.00 0.00 C ATOM 775 CD2 PHE A 50 -2.085 -1.916 17.639 1.00 0.00 C ATOM 776 CE1 PHE A 50 -3.306 -4.114 16.444 1.00 0.00 C ATOM 777 CE2 PHE A 50 -2.999 -1.731 16.603 1.00 0.00 C ATOM 778 CZ PHE A 50 -3.603 -2.830 16.003 1.00 0.00 C ATOM 0 H PHE A 50 -2.786 -4.823 20.733 1.00 0.00 H new ATOM 0 HA PHE A 50 -0.081 -3.701 21.135 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -0.007 -2.570 19.089 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.105 -4.300 18.830 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.180 -5.305 17.830 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.613 -1.061 18.099 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -3.779 -4.966 15.978 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -3.238 -0.733 16.266 1.00 0.00 H new ATOM 0 HZ PHE A 50 -4.303 -2.686 15.194 1.00 0.00 H new ATOM 788 N THR A 51 -1.083 -1.694 22.157 1.00 0.00 N ATOM 789 CA THR A 51 -1.682 -0.599 22.967 1.00 0.00 C ATOM 790 C THR A 51 -1.080 0.741 22.453 1.00 0.00 C ATOM 791 O THR A 51 0.109 1.017 22.647 1.00 0.00 O ATOM 792 CB THR A 51 -1.430 -0.828 24.491 1.00 0.00 C ATOM 793 OG1 THR A 51 -1.743 -2.168 24.865 1.00 0.00 O ATOM 794 CG2 THR A 51 -2.275 0.095 25.386 1.00 0.00 C ATOM 0 H THR A 51 -0.090 -1.840 22.338 1.00 0.00 H new ATOM 0 HA THR A 51 -2.766 -0.574 22.852 1.00 0.00 H new ATOM 0 HB THR A 51 -0.373 -0.609 24.641 1.00 0.00 H new ATOM 0 HG1 THR A 51 -1.576 -2.288 25.823 1.00 0.00 H new ATOM 0 HG21 THR A 51 -2.055 -0.112 26.433 1.00 0.00 H new ATOM 0 HG22 THR A 51 -2.036 1.135 25.164 1.00 0.00 H new ATOM 0 HG23 THR A 51 -3.333 -0.083 25.196 1.00 0.00 H new ATOM 802 N ILE A 52 -1.925 1.560 21.800 1.00 0.00 N ATOM 803 CA ILE A 52 -1.510 2.863 21.203 1.00 0.00 C ATOM 804 C ILE A 52 -1.937 3.976 22.207 1.00 0.00 C ATOM 805 O ILE A 52 -3.120 4.093 22.536 1.00 0.00 O ATOM 806 CB ILE A 52 -2.118 3.085 19.767 1.00 0.00 C ATOM 807 CG1 ILE A 52 -1.820 1.912 18.779 1.00 0.00 C ATOM 808 CG2 ILE A 52 -1.629 4.429 19.159 1.00 0.00 C ATOM 809 CD1 ILE A 52 -2.462 1.997 17.385 1.00 0.00 C ATOM 0 H ILE A 52 -2.914 1.347 21.666 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.431 2.884 21.050 1.00 0.00 H new ATOM 0 HB ILE A 52 -3.199 3.118 19.903 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.740 1.842 18.651 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.146 0.983 19.247 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.063 4.559 18.167 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.939 5.253 19.802 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -0.542 4.419 19.081 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -2.177 1.123 16.799 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -3.547 2.028 17.485 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.118 2.900 16.881 1.00 0.00 H new ATOM 821 N THR A 53 -0.972 4.810 22.637 1.00 0.00 N ATOM 822 CA THR A 53 -1.249 5.997 23.493 1.00 0.00 C ATOM 823 C THR A 53 -0.676 7.237 22.746 1.00 0.00 C ATOM 824 O THR A 53 0.531 7.495 22.807 1.00 0.00 O ATOM 825 CB THR A 53 -0.681 5.788 24.928 1.00 0.00 C ATOM 826 OG1 THR A 53 -1.243 4.612 25.507 1.00 0.00 O ATOM 827 CG2 THR A 53 -0.983 6.948 25.893 1.00 0.00 C ATOM 0 H THR A 53 0.015 4.689 22.408 1.00 0.00 H new ATOM 0 HA THR A 53 -2.317 6.154 23.648 1.00 0.00 H new ATOM 0 HB THR A 53 0.399 5.716 24.802 1.00 0.00 H new ATOM 0 HG1 THR A 53 -0.880 4.486 26.409 1.00 0.00 H new ATOM 0 HG21 THR A 53 -0.555 6.728 26.871 1.00 0.00 H new ATOM 0 HG22 THR A 53 -0.546 7.868 25.504 1.00 0.00 H new ATOM 0 HG23 THR A 53 -2.062 7.071 25.988 1.00 0.00 H new ATOM 835 N ALA A 54 -1.553 7.993 22.054 1.00 0.00 N ATOM 836 CA ALA A 54 -1.163 9.226 21.317 1.00 0.00 C ATOM 837 C ALA A 54 -1.622 10.490 22.097 1.00 0.00 C ATOM 838 O ALA A 54 -2.705 11.037 21.860 1.00 0.00 O ATOM 839 CB ALA A 54 -1.749 9.148 19.892 1.00 0.00 C ATOM 0 H ALA A 54 -2.547 7.773 21.987 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.079 9.302 21.232 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.474 10.044 19.336 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.353 8.269 19.383 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.835 9.076 19.949 1.00 0.00 H new ATOM 845 N GLY A 55 -0.784 10.924 23.057 1.00 0.00 N ATOM 846 CA GLY A 55 -1.112 12.046 23.973 1.00 0.00 C ATOM 847 C GLY A 55 -2.220 11.772 25.009 1.00 0.00 C ATOM 848 O GLY A 55 -3.233 12.473 25.014 1.00 0.00 O ATOM 0 H GLY A 55 0.135 10.514 23.224 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -0.205 12.330 24.507 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -1.409 12.905 23.371 1.00 0.00 H new ATOM 852 N SER A 56 -2.032 10.745 25.863 1.00 0.00 N ATOM 853 CA SER A 56 -3.103 10.187 26.746 1.00 0.00 C ATOM 854 C SER A 56 -4.415 9.745 26.007 1.00 0.00 C ATOM 855 O SER A 56 -5.524 10.111 26.410 1.00 0.00 O ATOM 856 CB SER A 56 -3.350 11.089 27.986 1.00 0.00 C ATOM 857 OG SER A 56 -2.160 11.269 28.747 1.00 0.00 O ATOM 0 H SER A 56 -1.135 10.271 25.968 1.00 0.00 H new ATOM 0 HA SER A 56 -2.710 9.240 27.116 1.00 0.00 H new ATOM 0 HB2 SER A 56 -3.726 12.059 27.662 1.00 0.00 H new ATOM 0 HB3 SER A 56 -4.121 10.642 28.614 1.00 0.00 H new ATOM 0 HG SER A 56 -2.349 11.842 29.519 1.00 0.00 H new ATOM 863 N LYS A 57 -4.267 8.949 24.928 1.00 0.00 N ATOM 864 CA LYS A 57 -5.403 8.448 24.108 1.00 0.00 C ATOM 865 C LYS A 57 -5.273 6.901 24.058 1.00 0.00 C ATOM 866 O LYS A 57 -4.774 6.341 23.077 1.00 0.00 O ATOM 867 CB LYS A 57 -5.339 9.131 22.710 1.00 0.00 C ATOM 868 CG LYS A 57 -6.582 8.909 21.816 1.00 0.00 C ATOM 869 CD LYS A 57 -6.359 9.190 20.315 1.00 0.00 C ATOM 870 CE LYS A 57 -6.098 10.662 19.950 1.00 0.00 C ATOM 871 NZ LYS A 57 -5.887 10.814 18.498 1.00 0.00 N ATOM 0 H LYS A 57 -3.356 8.632 24.595 1.00 0.00 H new ATOM 0 HA LYS A 57 -6.380 8.691 24.525 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -5.199 10.203 22.852 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -4.460 8.762 22.182 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -6.916 7.878 21.932 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -7.389 9.548 22.175 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -5.513 8.593 19.973 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -7.235 8.847 19.765 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -6.943 11.274 20.265 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -5.223 11.025 20.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -6.346 11.688 18.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -4.867 10.863 18.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -6.298 9.999 18.000 1.00 0.00 H new ATOM 885 N VAL A 58 -5.701 6.214 25.139 1.00 0.00 N ATOM 886 CA VAL A 58 -5.339 4.785 25.379 1.00 0.00 C ATOM 887 C VAL A 58 -6.352 3.890 24.600 1.00 0.00 C ATOM 888 O VAL A 58 -7.537 3.819 24.941 1.00 0.00 O ATOM 889 CB VAL A 58 -5.244 4.444 26.907 1.00 0.00 C ATOM 890 CG1 VAL A 58 -4.773 2.991 27.155 1.00 0.00 C ATOM 891 CG2 VAL A 58 -4.298 5.376 27.706 1.00 0.00 C ATOM 0 H VAL A 58 -6.296 6.618 25.862 1.00 0.00 H new ATOM 0 HA VAL A 58 -4.337 4.585 25.000 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.264 4.588 27.263 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.723 2.803 28.227 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.478 2.297 26.697 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -3.786 2.848 26.715 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -4.288 5.074 28.753 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -3.289 5.306 27.299 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -4.650 6.405 27.629 1.00 0.00 H new ATOM 901 N ILE A 59 -5.844 3.243 23.539 1.00 0.00 N ATOM 902 CA ILE A 59 -6.661 2.470 22.566 1.00 0.00 C ATOM 903 C ILE A 59 -6.013 1.059 22.555 1.00 0.00 C ATOM 904 O ILE A 59 -4.974 0.854 21.915 1.00 0.00 O ATOM 905 CB ILE A 59 -6.666 3.177 21.162 1.00 0.00 C ATOM 906 CG1 ILE A 59 -7.343 4.582 21.174 1.00 0.00 C ATOM 907 CG2 ILE A 59 -7.345 2.310 20.073 1.00 0.00 C ATOM 908 CD1 ILE A 59 -6.885 5.493 20.029 1.00 0.00 C ATOM 0 H ILE A 59 -4.847 3.236 23.323 1.00 0.00 H new ATOM 0 HA ILE A 59 -7.715 2.403 22.835 1.00 0.00 H new ATOM 0 HB ILE A 59 -5.611 3.309 20.922 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -8.424 4.456 21.117 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -7.129 5.071 22.124 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -7.324 2.840 19.121 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -6.810 1.365 19.974 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -8.379 2.114 20.357 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -7.397 6.453 20.101 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -5.809 5.650 20.097 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -7.124 5.025 19.074 1.00 0.00 H new ATOM 920 N GLN A 60 -6.639 0.097 23.259 1.00 0.00 N ATOM 921 CA GLN A 60 -6.090 -1.274 23.393 1.00 0.00 C ATOM 922 C GLN A 60 -6.784 -2.219 22.373 1.00 0.00 C ATOM 923 O GLN A 60 -8.003 -2.418 22.393 1.00 0.00 O ATOM 924 CB GLN A 60 -6.209 -1.752 24.864 1.00 0.00 C ATOM 925 CG GLN A 60 -5.251 -2.916 25.198 1.00 0.00 C ATOM 926 CD GLN A 60 -5.402 -3.439 26.634 1.00 0.00 C ATOM 927 OE1 GLN A 60 -6.278 -4.252 26.927 1.00 0.00 O ATOM 928 NE2 GLN A 60 -4.552 -2.998 27.550 1.00 0.00 N ATOM 0 H GLN A 60 -7.524 0.240 23.745 1.00 0.00 H new ATOM 0 HA GLN A 60 -5.027 -1.284 23.153 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -6.001 -0.915 25.530 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -7.235 -2.066 25.057 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -5.429 -3.735 24.501 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -4.223 -2.586 25.046 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -3.830 -2.324 27.294 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -4.619 -3.333 28.511 1.00 0.00 H new ATOM 937 N ASN A 61 -5.954 -2.781 21.485 1.00 0.00 N ATOM 938 CA ASN A 61 -6.391 -3.643 20.353 1.00 0.00 C ATOM 939 C ASN A 61 -5.909 -5.087 20.649 1.00 0.00 C ATOM 940 O ASN A 61 -4.744 -5.274 21.010 1.00 0.00 O ATOM 941 CB ASN A 61 -5.742 -3.156 19.026 1.00 0.00 C ATOM 942 CG ASN A 61 -5.965 -1.683 18.625 1.00 0.00 C ATOM 943 OD1 ASN A 61 -5.314 -0.776 19.144 1.00 0.00 O ATOM 944 ND2 ASN A 61 -6.853 -1.409 17.689 1.00 0.00 N ATOM 0 H ASN A 61 -4.943 -2.654 21.524 1.00 0.00 H new ATOM 0 HA ASN A 61 -7.475 -3.602 20.249 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -4.668 -3.328 19.094 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -6.115 -3.785 18.218 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -7.002 -0.444 17.394 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -7.391 -2.162 17.260 1.00 0.00 H new ATOM 951 N GLU A 62 -6.776 -6.104 20.489 1.00 0.00 N ATOM 952 CA GLU A 62 -6.398 -7.522 20.748 1.00 0.00 C ATOM 953 C GLU A 62 -6.965 -8.386 19.596 1.00 0.00 C ATOM 954 O GLU A 62 -8.184 -8.557 19.480 1.00 0.00 O ATOM 955 CB GLU A 62 -6.865 -7.974 22.163 1.00 0.00 C ATOM 956 CG GLU A 62 -6.210 -9.258 22.727 1.00 0.00 C ATOM 957 CD GLU A 62 -6.638 -10.576 22.066 1.00 0.00 C ATOM 958 OE1 GLU A 62 -7.813 -10.979 22.224 1.00 0.00 O ATOM 959 OE2 GLU A 62 -5.804 -11.214 21.386 1.00 0.00 O ATOM 0 H GLU A 62 -7.741 -5.980 20.183 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.315 -7.643 20.759 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -6.676 -7.159 22.862 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -7.944 -8.125 22.134 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.128 -9.162 22.634 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -6.434 -9.319 23.792 1.00 0.00 H new ATOM 966 N PHE A 63 -6.058 -8.940 18.769 1.00 0.00 N ATOM 967 CA PHE A 63 -6.424 -9.813 17.622 1.00 0.00 C ATOM 968 C PHE A 63 -5.783 -11.227 17.738 1.00 0.00 C ATOM 969 O PHE A 63 -4.816 -11.442 18.475 1.00 0.00 O ATOM 970 CB PHE A 63 -6.127 -9.084 16.279 1.00 0.00 C ATOM 971 CG PHE A 63 -4.651 -8.935 15.849 1.00 0.00 C ATOM 972 CD1 PHE A 63 -4.045 -9.926 15.068 1.00 0.00 C ATOM 973 CD2 PHE A 63 -3.913 -7.807 16.217 1.00 0.00 C ATOM 974 CE1 PHE A 63 -2.730 -9.774 14.642 1.00 0.00 C ATOM 975 CE2 PHE A 63 -2.596 -7.659 15.782 1.00 0.00 C ATOM 976 CZ PHE A 63 -2.011 -8.639 14.994 1.00 0.00 C ATOM 0 H PHE A 63 -5.053 -8.800 18.871 1.00 0.00 H new ATOM 0 HA PHE A 63 -7.498 -9.999 17.643 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -6.654 -9.615 15.486 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -6.561 -8.086 16.337 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -4.600 -10.811 14.795 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -4.363 -7.048 16.840 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -2.267 -10.539 14.037 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -2.032 -6.781 16.059 1.00 0.00 H new ATOM 0 HZ PHE A 63 -0.993 -8.519 14.653 1.00 0.00 H new ATOM 986 N THR A 64 -6.316 -12.181 16.953 1.00 0.00 N ATOM 987 CA THR A 64 -5.704 -13.528 16.781 1.00 0.00 C ATOM 988 C THR A 64 -5.722 -13.851 15.256 1.00 0.00 C ATOM 989 O THR A 64 -6.748 -13.704 14.581 1.00 0.00 O ATOM 990 CB THR A 64 -6.416 -14.616 17.642 1.00 0.00 C ATOM 991 OG1 THR A 64 -6.620 -14.157 18.977 1.00 0.00 O ATOM 992 CG2 THR A 64 -5.602 -15.917 17.751 1.00 0.00 C ATOM 0 H THR A 64 -7.176 -12.050 16.420 1.00 0.00 H new ATOM 0 HA THR A 64 -4.676 -13.527 17.144 1.00 0.00 H new ATOM 0 HB THR A 64 -7.360 -14.811 17.133 1.00 0.00 H new ATOM 0 HG1 THR A 64 -7.069 -14.855 19.498 1.00 0.00 H new ATOM 0 HG21 THR A 64 -6.147 -16.637 18.362 1.00 0.00 H new ATOM 0 HG22 THR A 64 -5.444 -16.332 16.755 1.00 0.00 H new ATOM 0 HG23 THR A 64 -4.638 -15.705 18.213 1.00 0.00 H new ATOM 1000 N VAL A 65 -4.566 -14.295 14.722 1.00 0.00 N ATOM 1001 CA VAL A 65 -4.344 -14.447 13.250 1.00 0.00 C ATOM 1002 C VAL A 65 -5.140 -15.632 12.627 1.00 0.00 C ATOM 1003 O VAL A 65 -5.215 -16.721 13.205 1.00 0.00 O ATOM 1004 CB VAL A 65 -2.825 -14.512 12.871 1.00 0.00 C ATOM 1005 CG1 VAL A 65 -2.111 -13.174 13.137 1.00 0.00 C ATOM 1006 CG2 VAL A 65 -2.032 -15.674 13.505 1.00 0.00 C ATOM 0 H VAL A 65 -3.758 -14.560 15.286 1.00 0.00 H new ATOM 0 HA VAL A 65 -4.747 -13.537 12.806 1.00 0.00 H new ATOM 0 HB VAL A 65 -2.836 -14.716 11.800 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -1.060 -13.261 12.861 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -2.578 -12.388 12.543 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.189 -12.924 14.195 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -0.993 -15.627 13.178 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -2.075 -15.594 14.591 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -2.467 -16.624 13.194 1.00 0.00 H new ATOM 1016 N GLY A 66 -5.758 -15.377 11.456 1.00 0.00 N ATOM 1017 CA GLY A 66 -6.737 -16.322 10.855 1.00 0.00 C ATOM 1018 C GLY A 66 -8.190 -16.342 11.411 1.00 0.00 C ATOM 1019 O GLY A 66 -9.075 -16.877 10.739 1.00 0.00 O ATOM 0 H GLY A 66 -5.602 -14.532 10.906 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -6.794 -16.106 9.788 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -6.330 -17.328 10.955 1.00 0.00 H new ATOM 1023 N GLU A 67 -8.425 -15.784 12.612 1.00 0.00 N ATOM 1024 CA GLU A 67 -9.747 -15.747 13.283 1.00 0.00 C ATOM 1025 C GLU A 67 -10.290 -14.291 13.241 1.00 0.00 C ATOM 1026 O GLU A 67 -9.536 -13.316 13.360 1.00 0.00 O ATOM 1027 CB GLU A 67 -9.612 -16.234 14.754 1.00 0.00 C ATOM 1028 CG GLU A 67 -9.361 -17.747 14.960 1.00 0.00 C ATOM 1029 CD GLU A 67 -7.911 -18.208 14.762 1.00 0.00 C ATOM 1030 OE1 GLU A 67 -7.075 -17.987 15.666 1.00 0.00 O ATOM 1031 OE2 GLU A 67 -7.600 -18.796 13.702 1.00 0.00 O ATOM 0 H GLU A 67 -7.690 -15.336 13.158 1.00 0.00 H new ATOM 0 HA GLU A 67 -10.443 -16.409 12.767 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.794 -15.686 15.221 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -10.523 -15.963 15.288 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -9.675 -18.016 15.969 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -9.998 -18.301 14.270 1.00 0.00 H new ATOM 1038 N GLU A 68 -11.624 -14.160 13.120 1.00 0.00 N ATOM 1039 CA GLU A 68 -12.315 -12.841 13.115 1.00 0.00 C ATOM 1040 C GLU A 68 -12.354 -12.218 14.545 1.00 0.00 C ATOM 1041 O GLU A 68 -13.097 -12.675 15.419 1.00 0.00 O ATOM 1042 CB GLU A 68 -13.703 -12.927 12.417 1.00 0.00 C ATOM 1043 CG GLU A 68 -14.756 -13.905 12.995 1.00 0.00 C ATOM 1044 CD GLU A 68 -16.026 -14.010 12.143 1.00 0.00 C ATOM 1045 OE1 GLU A 68 -15.946 -14.484 10.989 1.00 0.00 O ATOM 1046 OE2 GLU A 68 -17.115 -13.632 12.630 1.00 0.00 O ATOM 0 H GLU A 68 -12.256 -14.954 13.023 1.00 0.00 H new ATOM 0 HA GLU A 68 -11.733 -12.145 12.510 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -14.139 -11.928 12.421 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -13.535 -13.198 11.375 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -14.308 -14.894 13.089 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -15.028 -13.581 14.000 1.00 0.00 H new ATOM 1053 N CYS A 69 -11.482 -11.221 14.775 1.00 0.00 N ATOM 1054 CA CYS A 69 -11.175 -10.688 16.129 1.00 0.00 C ATOM 1055 C CYS A 69 -11.172 -9.137 16.130 1.00 0.00 C ATOM 1056 O CYS A 69 -10.768 -8.491 15.154 1.00 0.00 O ATOM 1057 CB CYS A 69 -9.793 -11.207 16.572 1.00 0.00 C ATOM 1058 SG CYS A 69 -9.735 -13.031 16.599 1.00 0.00 S ATOM 0 H CYS A 69 -10.965 -10.755 14.029 1.00 0.00 H new ATOM 0 HA CYS A 69 -11.945 -11.027 16.822 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -9.028 -10.828 15.895 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -9.560 -10.821 17.564 1.00 0.00 H new ATOM 0 HG CYS A 69 -8.724 -13.443 15.894 1.00 0.00 H new ATOM 1064 N GLU A 70 -11.603 -8.544 17.261 1.00 0.00 N ATOM 1065 CA GLU A 70 -11.812 -7.076 17.378 1.00 0.00 C ATOM 1066 C GLU A 70 -10.516 -6.223 17.275 1.00 0.00 C ATOM 1067 O GLU A 70 -9.484 -6.557 17.867 1.00 0.00 O ATOM 1068 CB GLU A 70 -12.671 -6.729 18.629 1.00 0.00 C ATOM 1069 CG GLU A 70 -12.142 -7.051 20.052 1.00 0.00 C ATOM 1070 CD GLU A 70 -10.992 -6.179 20.581 1.00 0.00 C ATOM 1071 OE1 GLU A 70 -11.049 -4.935 20.458 1.00 0.00 O ATOM 1072 OE2 GLU A 70 -10.022 -6.743 21.131 1.00 0.00 O ATOM 0 H GLU A 70 -11.816 -9.059 18.116 1.00 0.00 H new ATOM 0 HA GLU A 70 -12.379 -6.787 16.493 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -12.875 -5.659 18.594 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -13.627 -7.240 18.516 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -12.976 -6.972 20.750 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -11.813 -8.090 20.064 1.00 0.00 H new ATOM 1079 N LEU A 71 -10.609 -5.106 16.536 1.00 0.00 N ATOM 1080 CA LEU A 71 -9.588 -4.030 16.572 1.00 0.00 C ATOM 1081 C LEU A 71 -10.345 -2.752 17.003 1.00 0.00 C ATOM 1082 O LEU A 71 -11.131 -2.198 16.229 1.00 0.00 O ATOM 1083 CB LEU A 71 -8.879 -3.853 15.198 1.00 0.00 C ATOM 1084 CG LEU A 71 -7.939 -5.001 14.728 1.00 0.00 C ATOM 1085 CD1 LEU A 71 -7.396 -4.708 13.317 1.00 0.00 C ATOM 1086 CD2 LEU A 71 -6.755 -5.244 15.683 1.00 0.00 C ATOM 0 H LEU A 71 -11.384 -4.918 15.900 1.00 0.00 H new ATOM 0 HA LEU A 71 -8.786 -4.269 17.270 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -9.647 -3.713 14.437 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.296 -2.933 15.235 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.547 -5.906 14.721 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.740 -5.520 13.003 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.228 -4.622 12.618 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -6.835 -3.774 13.330 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.138 -6.056 15.299 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.155 -4.337 15.757 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.133 -5.511 16.670 1.00 0.00 H new ATOM 1098 N GLU A 72 -10.110 -2.283 18.244 1.00 0.00 N ATOM 1099 CA GLU A 72 -10.805 -1.094 18.803 1.00 0.00 C ATOM 1100 C GLU A 72 -10.269 0.203 18.133 1.00 0.00 C ATOM 1101 O GLU A 72 -9.125 0.595 18.370 1.00 0.00 O ATOM 1102 CB GLU A 72 -10.659 -1.102 20.352 1.00 0.00 C ATOM 1103 CG GLU A 72 -11.741 -0.324 21.134 1.00 0.00 C ATOM 1104 CD GLU A 72 -11.706 1.200 20.989 1.00 0.00 C ATOM 1105 OE1 GLU A 72 -10.758 1.839 21.497 1.00 0.00 O ATOM 1106 OE2 GLU A 72 -12.629 1.766 20.362 1.00 0.00 O ATOM 0 H GLU A 72 -9.441 -2.708 18.886 1.00 0.00 H new ATOM 0 HA GLU A 72 -11.872 -1.128 18.581 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -10.665 -2.137 20.693 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -9.684 -0.688 20.608 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -12.720 -0.678 20.811 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -11.646 -0.571 22.191 1.00 0.00 H new ATOM 1113 N THR A 73 -11.090 0.843 17.278 1.00 0.00 N ATOM 1114 CA THR A 73 -10.656 2.038 16.492 1.00 0.00 C ATOM 1115 C THR A 73 -10.542 3.332 17.356 1.00 0.00 C ATOM 1116 O THR A 73 -11.221 3.492 18.378 1.00 0.00 O ATOM 1117 CB THR A 73 -11.583 2.282 15.259 1.00 0.00 C ATOM 1118 OG1 THR A 73 -12.914 2.573 15.672 1.00 0.00 O ATOM 1119 CG2 THR A 73 -11.617 1.136 14.237 1.00 0.00 C ATOM 0 H THR A 73 -12.056 0.562 17.107 1.00 0.00 H new ATOM 0 HA THR A 73 -9.653 1.808 16.133 1.00 0.00 H new ATOM 0 HB THR A 73 -11.137 3.138 14.751 1.00 0.00 H new ATOM 0 HG1 THR A 73 -13.284 3.283 15.107 1.00 0.00 H new ATOM 0 HG21 THR A 73 -12.287 1.398 13.418 1.00 0.00 H new ATOM 0 HG22 THR A 73 -10.614 0.968 13.845 1.00 0.00 H new ATOM 0 HG23 THR A 73 -11.974 0.227 14.721 1.00 0.00 H new ATOM 1127 N MET A 74 -9.711 4.280 16.881 1.00 0.00 N ATOM 1128 CA MET A 74 -9.637 5.662 17.444 1.00 0.00 C ATOM 1129 C MET A 74 -10.933 6.539 17.402 1.00 0.00 C ATOM 1130 O MET A 74 -11.099 7.397 18.273 1.00 0.00 O ATOM 1131 CB MET A 74 -8.398 6.399 16.878 1.00 0.00 C ATOM 1132 CG MET A 74 -8.362 6.735 15.380 1.00 0.00 C ATOM 1133 SD MET A 74 -6.701 7.298 14.946 1.00 0.00 S ATOM 1134 CE MET A 74 -5.864 5.743 14.565 1.00 0.00 C ATOM 0 H MET A 74 -9.072 4.121 16.102 1.00 0.00 H new ATOM 0 HA MET A 74 -9.529 5.507 18.517 1.00 0.00 H new ATOM 0 HB2 MET A 74 -8.288 7.333 17.429 1.00 0.00 H new ATOM 0 HB3 MET A 74 -7.521 5.792 17.102 1.00 0.00 H new ATOM 0 HG2 MET A 74 -8.629 5.858 14.790 1.00 0.00 H new ATOM 0 HG3 MET A 74 -9.094 7.509 15.150 1.00 0.00 H new ATOM 0 HE1 MET A 74 -4.831 5.946 14.282 1.00 0.00 H new ATOM 0 HE2 MET A 74 -5.880 5.097 15.443 1.00 0.00 H new ATOM 0 HE3 MET A 74 -6.376 5.247 13.740 1.00 0.00 H new ATOM 1144 N THR A 75 -11.861 6.289 16.455 1.00 0.00 N ATOM 1145 CA THR A 75 -13.275 6.769 16.533 1.00 0.00 C ATOM 1146 C THR A 75 -14.017 6.168 17.776 1.00 0.00 C ATOM 1147 O THR A 75 -14.364 6.918 18.692 1.00 0.00 O ATOM 1148 CB THR A 75 -13.993 6.500 15.167 1.00 0.00 C ATOM 1149 OG1 THR A 75 -13.355 7.230 14.127 1.00 0.00 O ATOM 1150 CG2 THR A 75 -15.486 6.871 15.112 1.00 0.00 C ATOM 0 H THR A 75 -11.661 5.750 15.612 1.00 0.00 H new ATOM 0 HA THR A 75 -13.292 7.847 16.694 1.00 0.00 H new ATOM 0 HB THR A 75 -13.920 5.419 15.045 1.00 0.00 H new ATOM 0 HG1 THR A 75 -13.899 7.183 13.313 1.00 0.00 H new ATOM 0 HG21 THR A 75 -15.881 6.643 14.122 1.00 0.00 H new ATOM 0 HG22 THR A 75 -16.031 6.297 15.861 1.00 0.00 H new ATOM 0 HG23 THR A 75 -15.604 7.936 15.314 1.00 0.00 H new ATOM 1158 N GLY A 76 -14.243 4.842 17.786 1.00 0.00 N ATOM 1159 CA GLY A 76 -14.987 4.146 18.857 1.00 0.00 C ATOM 1160 C GLY A 76 -15.953 3.128 18.232 1.00 0.00 C ATOM 1161 O GLY A 76 -17.140 3.430 18.084 1.00 0.00 O ATOM 0 H GLY A 76 -13.914 4.218 17.049 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -14.292 3.640 19.527 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -15.541 4.868 19.458 1.00 0.00 H new ATOM 1165 N GLU A 77 -15.429 1.950 17.844 1.00 0.00 N ATOM 1166 CA GLU A 77 -16.199 0.931 17.073 1.00 0.00 C ATOM 1167 C GLU A 77 -16.117 -0.476 17.720 1.00 0.00 C ATOM 1168 O GLU A 77 -17.163 -1.076 17.985 1.00 0.00 O ATOM 1169 CB GLU A 77 -15.815 0.891 15.565 1.00 0.00 C ATOM 1170 CG GLU A 77 -16.089 2.172 14.743 1.00 0.00 C ATOM 1171 CD GLU A 77 -17.550 2.640 14.688 1.00 0.00 C ATOM 1172 OE1 GLU A 77 -18.439 1.833 14.341 1.00 0.00 O ATOM 1173 OE2 GLU A 77 -17.812 3.825 14.991 1.00 0.00 O ATOM 0 H GLU A 77 -14.470 1.671 18.049 1.00 0.00 H new ATOM 0 HA GLU A 77 -17.240 1.250 17.117 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -14.752 0.660 15.491 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -16.354 0.066 15.099 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -15.485 2.980 15.156 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -15.744 2.005 13.723 1.00 0.00 H new ATOM 1180 N LYS A 78 -14.895 -1.019 17.920 1.00 0.00 N ATOM 1181 CA LYS A 78 -14.655 -2.436 18.326 1.00 0.00 C ATOM 1182 C LYS A 78 -15.101 -3.426 17.206 1.00 0.00 C ATOM 1183 O LYS A 78 -16.162 -4.053 17.292 1.00 0.00 O ATOM 1184 CB LYS A 78 -15.166 -2.730 19.766 1.00 0.00 C ATOM 1185 CG LYS A 78 -14.602 -4.025 20.386 1.00 0.00 C ATOM 1186 CD LYS A 78 -14.929 -4.230 21.878 1.00 0.00 C ATOM 1187 CE LYS A 78 -14.089 -3.354 22.830 1.00 0.00 C ATOM 1188 NZ LYS A 78 -14.419 -3.623 24.239 1.00 0.00 N ATOM 0 H LYS A 78 -14.033 -0.485 17.805 1.00 0.00 H new ATOM 0 HA LYS A 78 -13.583 -2.609 18.415 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -14.907 -1.890 20.410 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -16.254 -2.794 19.747 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -14.988 -4.876 19.825 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -13.519 -4.027 20.264 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -15.985 -4.016 22.041 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -14.773 -5.278 22.133 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -13.029 -3.543 22.661 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -14.265 -2.301 22.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -13.837 -3.018 24.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -15.425 -3.419 24.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -14.228 -4.622 24.456 1.00 0.00 H new ATOM 1202 N VAL A 79 -14.293 -3.489 16.132 1.00 0.00 N ATOM 1203 CA VAL A 79 -14.718 -4.030 14.815 1.00 0.00 C ATOM 1204 C VAL A 79 -14.027 -5.400 14.563 1.00 0.00 C ATOM 1205 O VAL A 79 -12.808 -5.468 14.378 1.00 0.00 O ATOM 1206 CB VAL A 79 -14.497 -2.944 13.705 1.00 0.00 C ATOM 1207 CG1 VAL A 79 -13.069 -2.379 13.537 1.00 0.00 C ATOM 1208 CG2 VAL A 79 -15.000 -3.409 12.329 1.00 0.00 C ATOM 0 H VAL A 79 -13.325 -3.168 16.146 1.00 0.00 H new ATOM 0 HA VAL A 79 -15.786 -4.245 14.795 1.00 0.00 H new ATOM 0 HB VAL A 79 -15.095 -2.119 14.093 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -13.062 -1.639 12.736 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -12.752 -1.909 14.468 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -12.384 -3.189 13.288 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -14.825 -2.624 11.593 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -14.464 -4.311 12.031 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -16.067 -3.623 12.385 1.00 0.00 H new ATOM 1218 N LYS A 80 -14.832 -6.483 14.518 1.00 0.00 N ATOM 1219 CA LYS A 80 -14.333 -7.860 14.273 1.00 0.00 C ATOM 1220 C LYS A 80 -13.913 -8.054 12.787 1.00 0.00 C ATOM 1221 O LYS A 80 -14.669 -7.771 11.852 1.00 0.00 O ATOM 1222 CB LYS A 80 -15.302 -8.935 14.836 1.00 0.00 C ATOM 1223 CG LYS A 80 -16.690 -9.128 14.177 1.00 0.00 C ATOM 1224 CD LYS A 80 -16.723 -10.178 13.044 1.00 0.00 C ATOM 1225 CE LYS A 80 -18.098 -10.365 12.374 1.00 0.00 C ATOM 1226 NZ LYS A 80 -19.084 -11.034 13.245 1.00 0.00 N ATOM 0 H LYS A 80 -15.842 -6.432 14.649 1.00 0.00 H new ATOM 0 HA LYS A 80 -13.415 -8.007 14.842 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -14.785 -9.894 14.797 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -15.469 -8.706 15.889 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -17.405 -9.420 14.946 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -17.024 -8.171 13.777 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -15.999 -9.891 12.281 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -16.398 -11.137 13.447 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -18.486 -9.390 12.079 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -17.974 -10.949 11.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -19.987 -11.130 12.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -18.732 -11.977 13.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -19.229 -10.467 14.105 1.00 0.00 H new ATOM 1240 N THR A 81 -12.656 -8.482 12.619 1.00 0.00 N ATOM 1241 CA THR A 81 -11.966 -8.533 11.306 1.00 0.00 C ATOM 1242 C THR A 81 -10.893 -9.656 11.355 1.00 0.00 C ATOM 1243 O THR A 81 -10.150 -9.790 12.335 1.00 0.00 O ATOM 1244 CB THR A 81 -11.377 -7.141 10.906 1.00 0.00 C ATOM 1245 OG1 THR A 81 -10.845 -7.210 9.587 1.00 0.00 O ATOM 1246 CG2 THR A 81 -10.288 -6.554 11.826 1.00 0.00 C ATOM 0 H THR A 81 -12.076 -8.808 13.392 1.00 0.00 H new ATOM 0 HA THR A 81 -12.682 -8.773 10.520 1.00 0.00 H new ATOM 0 HB THR A 81 -12.228 -6.466 10.995 1.00 0.00 H new ATOM 0 HG1 THR A 81 -11.242 -6.503 9.037 1.00 0.00 H new ATOM 0 HG21 THR A 81 -9.965 -5.588 11.437 1.00 0.00 H new ATOM 0 HG22 THR A 81 -10.691 -6.425 12.830 1.00 0.00 H new ATOM 0 HG23 THR A 81 -9.437 -7.234 11.862 1.00 0.00 H new ATOM 1254 N VAL A 82 -10.772 -10.422 10.252 1.00 0.00 N ATOM 1255 CA VAL A 82 -9.708 -11.455 10.100 1.00 0.00 C ATOM 1256 C VAL A 82 -8.375 -10.711 9.778 1.00 0.00 C ATOM 1257 O VAL A 82 -8.256 -10.059 8.734 1.00 0.00 O ATOM 1258 CB VAL A 82 -10.060 -12.543 9.027 1.00 0.00 C ATOM 1259 CG1 VAL A 82 -8.971 -13.641 8.947 1.00 0.00 C ATOM 1260 CG2 VAL A 82 -11.417 -13.250 9.263 1.00 0.00 C ATOM 0 H VAL A 82 -11.395 -10.350 9.448 1.00 0.00 H new ATOM 0 HA VAL A 82 -9.609 -12.016 11.029 1.00 0.00 H new ATOM 0 HB VAL A 82 -10.121 -11.982 8.094 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -9.251 -14.377 8.193 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -8.017 -13.188 8.676 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -8.878 -14.132 9.916 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -11.585 -13.987 8.478 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -11.404 -13.749 10.232 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -12.219 -12.512 9.246 1.00 0.00 H new ATOM 1270 N VAL A 83 -7.395 -10.826 10.694 1.00 0.00 N ATOM 1271 CA VAL A 83 -6.075 -10.150 10.548 1.00 0.00 C ATOM 1272 C VAL A 83 -5.087 -11.251 10.075 1.00 0.00 C ATOM 1273 O VAL A 83 -4.515 -11.977 10.893 1.00 0.00 O ATOM 1274 CB VAL A 83 -5.626 -9.404 11.851 1.00 0.00 C ATOM 1275 CG1 VAL A 83 -4.319 -8.604 11.634 1.00 0.00 C ATOM 1276 CG2 VAL A 83 -6.677 -8.440 12.452 1.00 0.00 C ATOM 0 H VAL A 83 -7.485 -11.379 11.546 1.00 0.00 H new ATOM 0 HA VAL A 83 -6.118 -9.345 9.815 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.478 -10.215 12.564 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -4.042 -8.102 12.561 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -3.521 -9.285 11.337 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -4.473 -7.862 10.851 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -6.271 -7.973 13.350 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -6.923 -7.669 11.722 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -7.578 -8.998 12.708 1.00 0.00 H new ATOM 1286 N GLN A 84 -4.923 -11.387 8.747 1.00 0.00 N ATOM 1287 CA GLN A 84 -4.233 -12.548 8.144 1.00 0.00 C ATOM 1288 C GLN A 84 -2.722 -12.237 7.965 1.00 0.00 C ATOM 1289 O GLN A 84 -2.334 -11.375 7.168 1.00 0.00 O ATOM 1290 CB GLN A 84 -4.962 -12.892 6.815 1.00 0.00 C ATOM 1291 CG GLN A 84 -4.596 -14.260 6.202 1.00 0.00 C ATOM 1292 CD GLN A 84 -5.154 -15.478 6.963 1.00 0.00 C ATOM 1293 OE1 GLN A 84 -6.298 -15.886 6.766 1.00 0.00 O ATOM 1294 NE2 GLN A 84 -4.367 -16.081 7.842 1.00 0.00 N ATOM 0 H GLN A 84 -5.259 -10.706 8.066 1.00 0.00 H new ATOM 0 HA GLN A 84 -4.276 -13.425 8.790 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -6.037 -12.867 6.992 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -4.740 -12.113 6.085 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -4.961 -14.292 5.175 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -3.510 -14.344 6.157 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -3.420 -15.736 7.999 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -4.708 -16.890 8.361 1.00 0.00 H new ATOM 1303 N LEU A 85 -1.888 -12.963 8.726 1.00 0.00 N ATOM 1304 CA LEU A 85 -0.420 -12.750 8.760 1.00 0.00 C ATOM 1305 C LEU A 85 0.282 -13.527 7.615 1.00 0.00 C ATOM 1306 O LEU A 85 0.109 -14.741 7.463 1.00 0.00 O ATOM 1307 CB LEU A 85 0.083 -13.158 10.170 1.00 0.00 C ATOM 1308 CG LEU A 85 1.607 -13.082 10.470 1.00 0.00 C ATOM 1309 CD1 LEU A 85 2.231 -11.712 10.151 1.00 0.00 C ATOM 1310 CD2 LEU A 85 1.869 -13.450 11.941 1.00 0.00 C ATOM 0 H LEU A 85 -2.205 -13.715 9.337 1.00 0.00 H new ATOM 0 HA LEU A 85 -0.174 -11.702 8.589 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.429 -12.529 10.898 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -0.239 -14.183 10.352 1.00 0.00 H new ATOM 0 HG LEU A 85 2.089 -13.800 9.807 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.295 -11.734 10.385 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.097 -11.489 9.093 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.743 -10.942 10.749 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.938 -13.395 12.145 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.339 -12.753 12.590 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.515 -14.463 12.131 1.00 0.00 H new ATOM 1322 N GLU A 86 1.089 -12.783 6.843 1.00 0.00 N ATOM 1323 CA GLU A 86 1.893 -13.331 5.721 1.00 0.00 C ATOM 1324 C GLU A 86 3.399 -13.115 6.026 1.00 0.00 C ATOM 1325 O GLU A 86 3.862 -11.990 6.243 1.00 0.00 O ATOM 1326 CB GLU A 86 1.474 -12.669 4.382 1.00 0.00 C ATOM 1327 CG GLU A 86 0.124 -13.194 3.844 1.00 0.00 C ATOM 1328 CD GLU A 86 -0.327 -12.520 2.546 1.00 0.00 C ATOM 1329 OE1 GLU A 86 0.297 -12.762 1.488 1.00 0.00 O ATOM 1330 OE2 GLU A 86 -1.314 -11.752 2.575 1.00 0.00 O ATOM 0 H GLU A 86 1.208 -11.778 6.974 1.00 0.00 H new ATOM 0 HA GLU A 86 1.711 -14.401 5.619 1.00 0.00 H new ATOM 0 HB2 GLU A 86 1.408 -11.590 4.522 1.00 0.00 H new ATOM 0 HB3 GLU A 86 2.249 -12.847 3.637 1.00 0.00 H new ATOM 0 HG2 GLU A 86 0.203 -14.268 3.676 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -0.642 -13.046 4.605 1.00 0.00 H new ATOM 1337 N GLY A 87 4.146 -14.232 6.041 1.00 0.00 N ATOM 1338 CA GLY A 87 5.610 -14.226 6.307 1.00 0.00 C ATOM 1339 C GLY A 87 6.146 -13.995 7.748 1.00 0.00 C ATOM 1340 O GLY A 87 7.364 -13.869 7.896 1.00 0.00 O ATOM 0 H GLY A 87 3.763 -15.162 5.871 1.00 0.00 H new ATOM 0 HA2 GLY A 87 6.003 -15.184 5.966 1.00 0.00 H new ATOM 0 HA3 GLY A 87 6.050 -13.457 5.672 1.00 0.00 H new ATOM 1344 N ASP A 88 5.281 -13.909 8.785 1.00 0.00 N ATOM 1345 CA ASP A 88 5.655 -13.462 10.166 1.00 0.00 C ATOM 1346 C ASP A 88 5.999 -11.938 10.350 1.00 0.00 C ATOM 1347 O ASP A 88 6.222 -11.500 11.484 1.00 0.00 O ATOM 1348 CB ASP A 88 6.641 -14.440 10.875 1.00 0.00 C ATOM 1349 CG ASP A 88 6.632 -14.383 12.412 1.00 0.00 C ATOM 1350 OD1 ASP A 88 5.630 -14.806 13.029 1.00 0.00 O ATOM 1351 OD2 ASP A 88 7.624 -13.903 13.005 1.00 0.00 O ATOM 0 H ASP A 88 4.293 -14.148 8.696 1.00 0.00 H new ATOM 0 HA ASP A 88 4.714 -13.530 10.713 1.00 0.00 H new ATOM 0 HB2 ASP A 88 6.404 -15.457 10.564 1.00 0.00 H new ATOM 0 HB3 ASP A 88 7.651 -14.227 10.526 1.00 0.00 H new ATOM 1356 N ASN A 89 5.996 -11.129 9.272 1.00 0.00 N ATOM 1357 CA ASN A 89 6.275 -9.668 9.328 1.00 0.00 C ATOM 1358 C ASN A 89 5.433 -8.799 8.329 1.00 0.00 C ATOM 1359 O ASN A 89 5.928 -7.780 7.837 1.00 0.00 O ATOM 1360 CB ASN A 89 7.814 -9.441 9.267 1.00 0.00 C ATOM 1361 CG ASN A 89 8.549 -9.696 7.932 1.00 0.00 C ATOM 1362 OD1 ASN A 89 8.342 -10.702 7.253 1.00 0.00 O ATOM 1363 ND2 ASN A 89 9.442 -8.795 7.552 1.00 0.00 N ATOM 0 H ASN A 89 5.800 -11.466 8.330 1.00 0.00 H new ATOM 0 HA ASN A 89 5.920 -9.289 10.286 1.00 0.00 H new ATOM 0 HB2 ASN A 89 8.008 -8.409 9.559 1.00 0.00 H new ATOM 0 HB3 ASN A 89 8.272 -10.078 10.024 1.00 0.00 H new ATOM 0 HD21 ASN A 89 9.967 -8.930 6.688 1.00 0.00 H new ATOM 0 HD22 ASN A 89 9.605 -7.966 8.123 1.00 0.00 H new ATOM 1370 N LYS A 90 4.150 -9.150 8.074 1.00 0.00 N ATOM 1371 CA LYS A 90 3.230 -8.342 7.235 1.00 0.00 C ATOM 1372 C LYS A 90 1.771 -8.705 7.641 1.00 0.00 C ATOM 1373 O LYS A 90 1.276 -9.782 7.298 1.00 0.00 O ATOM 1374 CB LYS A 90 3.488 -8.590 5.721 1.00 0.00 C ATOM 1375 CG LYS A 90 2.897 -7.503 4.796 1.00 0.00 C ATOM 1376 CD LYS A 90 2.635 -8.007 3.359 1.00 0.00 C ATOM 1377 CE LYS A 90 1.984 -6.980 2.413 1.00 0.00 C ATOM 1378 NZ LYS A 90 2.884 -5.875 2.031 1.00 0.00 N ATOM 0 H LYS A 90 3.723 -10.000 8.443 1.00 0.00 H new ATOM 0 HA LYS A 90 3.402 -7.279 7.402 1.00 0.00 H new ATOM 0 HB2 LYS A 90 4.563 -8.651 5.552 1.00 0.00 H new ATOM 0 HB3 LYS A 90 3.066 -9.556 5.445 1.00 0.00 H new ATOM 0 HG2 LYS A 90 1.962 -7.140 5.223 1.00 0.00 H new ATOM 0 HG3 LYS A 90 3.581 -6.655 4.758 1.00 0.00 H new ATOM 0 HD2 LYS A 90 3.582 -8.328 2.925 1.00 0.00 H new ATOM 0 HD3 LYS A 90 1.994 -8.887 3.411 1.00 0.00 H new ATOM 0 HE2 LYS A 90 1.647 -7.492 1.511 1.00 0.00 H new ATOM 0 HE3 LYS A 90 1.098 -6.566 2.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 2.544 -4.988 2.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 3.845 -6.076 2.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 2.899 -5.781 0.995 1.00 0.00 H new ATOM 1392 N LEU A 91 1.081 -7.794 8.352 1.00 0.00 N ATOM 1393 CA LEU A 91 -0.327 -8.003 8.798 1.00 0.00 C ATOM 1394 C LEU A 91 -1.285 -7.367 7.757 1.00 0.00 C ATOM 1395 O LEU A 91 -1.202 -6.170 7.470 1.00 0.00 O ATOM 1396 CB LEU A 91 -0.571 -7.385 10.200 1.00 0.00 C ATOM 1397 CG LEU A 91 0.206 -8.033 11.379 1.00 0.00 C ATOM 1398 CD1 LEU A 91 0.296 -7.077 12.583 1.00 0.00 C ATOM 1399 CD2 LEU A 91 -0.383 -9.394 11.794 1.00 0.00 C ATOM 0 H LEU A 91 1.472 -6.896 8.636 1.00 0.00 H new ATOM 0 HA LEU A 91 -0.518 -9.074 8.873 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -0.311 -6.327 10.158 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -1.637 -7.443 10.419 1.00 0.00 H new ATOM 0 HG LEU A 91 1.218 -8.222 11.020 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.845 -7.560 13.391 1.00 0.00 H new ATOM 0 HD12 LEU A 91 0.815 -6.165 12.286 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.708 -6.828 12.926 1.00 0.00 H new ATOM 0 HD21 LEU A 91 0.196 -9.804 12.621 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -1.419 -9.262 12.107 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -0.344 -10.081 10.948 1.00 0.00 H new ATOM 1411 N VAL A 92 -2.172 -8.198 7.188 1.00 0.00 N ATOM 1412 CA VAL A 92 -2.973 -7.835 5.986 1.00 0.00 C ATOM 1413 C VAL A 92 -4.465 -7.951 6.419 1.00 0.00 C ATOM 1414 O VAL A 92 -4.992 -9.054 6.601 1.00 0.00 O ATOM 1415 CB VAL A 92 -2.580 -8.738 4.763 1.00 0.00 C ATOM 1416 CG1 VAL A 92 -3.356 -8.372 3.479 1.00 0.00 C ATOM 1417 CG2 VAL A 92 -1.066 -8.723 4.424 1.00 0.00 C ATOM 0 H VAL A 92 -2.361 -9.137 7.538 1.00 0.00 H new ATOM 0 HA VAL A 92 -2.780 -6.820 5.638 1.00 0.00 H new ATOM 0 HB VAL A 92 -2.852 -9.740 5.094 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -3.044 -9.028 2.666 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -4.425 -8.493 3.653 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -3.147 -7.337 3.210 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -0.878 -9.371 3.568 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -0.757 -7.706 4.183 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.497 -9.081 5.282 1.00 0.00 H new ATOM 1427 N THR A 93 -5.114 -6.787 6.602 1.00 0.00 N ATOM 1428 CA THR A 93 -6.488 -6.690 7.176 1.00 0.00 C ATOM 1429 C THR A 93 -7.281 -5.513 6.536 1.00 0.00 C ATOM 1430 O THR A 93 -6.713 -4.581 5.958 1.00 0.00 O ATOM 1431 CB THR A 93 -6.413 -6.634 8.739 1.00 0.00 C ATOM 1432 OG1 THR A 93 -7.688 -6.941 9.292 1.00 0.00 O ATOM 1433 CG2 THR A 93 -5.916 -5.323 9.375 1.00 0.00 C ATOM 0 H THR A 93 -4.710 -5.882 6.360 1.00 0.00 H new ATOM 0 HA THR A 93 -7.055 -7.587 6.926 1.00 0.00 H new ATOM 0 HB THR A 93 -5.649 -7.373 8.981 1.00 0.00 H new ATOM 0 HG1 THR A 93 -7.900 -7.883 9.123 1.00 0.00 H new ATOM 0 HG21 THR A 93 -5.914 -5.423 10.460 1.00 0.00 H new ATOM 0 HG22 THR A 93 -4.905 -5.111 9.028 1.00 0.00 H new ATOM 0 HG23 THR A 93 -6.577 -4.505 9.087 1.00 0.00 H new ATOM 1441 N THR A 94 -8.619 -5.571 6.667 1.00 0.00 N ATOM 1442 CA THR A 94 -9.533 -4.516 6.156 1.00 0.00 C ATOM 1443 C THR A 94 -10.805 -4.465 7.052 1.00 0.00 C ATOM 1444 O THR A 94 -11.464 -5.484 7.283 1.00 0.00 O ATOM 1445 CB THR A 94 -9.813 -4.652 4.630 1.00 0.00 C ATOM 1446 OG1 THR A 94 -10.629 -3.572 4.189 1.00 0.00 O ATOM 1447 CG2 THR A 94 -10.439 -5.976 4.165 1.00 0.00 C ATOM 0 H THR A 94 -9.101 -6.343 7.126 1.00 0.00 H new ATOM 0 HA THR A 94 -9.047 -3.543 6.233 1.00 0.00 H new ATOM 0 HB THR A 94 -8.822 -4.633 4.176 1.00 0.00 H new ATOM 0 HG1 THR A 94 -10.800 -3.662 3.228 1.00 0.00 H new ATOM 0 HG21 THR A 94 -10.586 -5.950 3.085 1.00 0.00 H new ATOM 0 HG22 THR A 94 -9.775 -6.802 4.421 1.00 0.00 H new ATOM 0 HG23 THR A 94 -11.401 -6.117 4.658 1.00 0.00 H new ATOM 1455 N PHE A 95 -11.127 -3.258 7.550 1.00 0.00 N ATOM 1456 CA PHE A 95 -12.197 -3.046 8.561 1.00 0.00 C ATOM 1457 C PHE A 95 -12.918 -1.705 8.262 1.00 0.00 C ATOM 1458 O PHE A 95 -12.358 -0.625 8.466 1.00 0.00 O ATOM 1459 CB PHE A 95 -11.662 -3.153 10.024 1.00 0.00 C ATOM 1460 CG PHE A 95 -10.446 -2.295 10.445 1.00 0.00 C ATOM 1461 CD1 PHE A 95 -10.621 -1.008 10.967 1.00 0.00 C ATOM 1462 CD2 PHE A 95 -9.148 -2.804 10.306 1.00 0.00 C ATOM 1463 CE1 PHE A 95 -9.519 -0.236 11.324 1.00 0.00 C ATOM 1464 CE2 PHE A 95 -8.049 -2.036 10.680 1.00 0.00 C ATOM 1465 CZ PHE A 95 -8.234 -0.753 11.187 1.00 0.00 C ATOM 0 H PHE A 95 -10.657 -2.398 7.268 1.00 0.00 H new ATOM 0 HA PHE A 95 -12.931 -3.848 8.482 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -12.486 -2.906 10.694 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -11.406 -4.197 10.205 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -11.618 -0.611 11.094 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -9.000 -3.797 9.907 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -9.661 0.764 11.707 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -7.051 -2.436 10.577 1.00 0.00 H new ATOM 0 HZ PHE A 95 -7.380 -0.158 11.474 1.00 0.00 H new ATOM 1475 N LYS A 96 -14.172 -1.785 7.767 1.00 0.00 N ATOM 1476 CA LYS A 96 -15.032 -0.599 7.452 1.00 0.00 C ATOM 1477 C LYS A 96 -14.394 0.404 6.437 1.00 0.00 C ATOM 1478 O LYS A 96 -14.113 1.559 6.777 1.00 0.00 O ATOM 1479 CB LYS A 96 -15.593 0.073 8.738 1.00 0.00 C ATOM 1480 CG LYS A 96 -16.654 -0.781 9.464 1.00 0.00 C ATOM 1481 CD LYS A 96 -17.107 -0.272 10.841 1.00 0.00 C ATOM 1482 CE LYS A 96 -17.909 1.045 10.881 1.00 0.00 C ATOM 1483 NZ LYS A 96 -17.058 2.251 10.856 1.00 0.00 N ATOM 0 H LYS A 96 -14.629 -2.675 7.570 1.00 0.00 H new ATOM 0 HA LYS A 96 -15.895 -0.991 6.914 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -14.769 0.274 9.423 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -16.031 1.036 8.474 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -17.531 -0.857 8.821 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -16.258 -1.790 9.584 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -17.713 -1.050 11.305 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -16.220 -0.146 11.462 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -18.590 1.073 10.031 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -18.522 1.061 11.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -17.573 3.048 11.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -16.188 2.073 11.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -16.812 2.482 9.872 1.00 0.00 H new ATOM 1497 N ASN A 97 -14.126 -0.071 5.201 1.00 0.00 N ATOM 1498 CA ASN A 97 -13.376 0.696 4.151 1.00 0.00 C ATOM 1499 C ASN A 97 -11.879 1.090 4.449 1.00 0.00 C ATOM 1500 O ASN A 97 -11.280 1.801 3.635 1.00 0.00 O ATOM 1501 CB ASN A 97 -14.199 1.899 3.583 1.00 0.00 C ATOM 1502 CG ASN A 97 -15.567 1.563 2.952 1.00 0.00 C ATOM 1503 OD1 ASN A 97 -16.604 1.621 3.610 1.00 0.00 O ATOM 1504 ND2 ASN A 97 -15.595 1.215 1.674 1.00 0.00 N ATOM 0 H ASN A 97 -14.419 -0.998 4.891 1.00 0.00 H new ATOM 0 HA ASN A 97 -13.263 -0.058 3.372 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -14.362 2.612 4.391 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -13.591 2.403 2.831 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -16.484 0.992 1.226 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -14.728 1.170 1.138 1.00 0.00 H new ATOM 1511 N ILE A 98 -11.260 0.623 5.557 1.00 0.00 N ATOM 1512 CA ILE A 98 -9.883 1.022 5.969 1.00 0.00 C ATOM 1513 C ILE A 98 -8.987 -0.220 5.701 1.00 0.00 C ATOM 1514 O ILE A 98 -8.979 -1.155 6.508 1.00 0.00 O ATOM 1515 CB ILE A 98 -9.835 1.501 7.467 1.00 0.00 C ATOM 1516 CG1 ILE A 98 -10.755 2.724 7.768 1.00 0.00 C ATOM 1517 CG2 ILE A 98 -8.387 1.818 7.921 1.00 0.00 C ATOM 1518 CD1 ILE A 98 -11.113 2.912 9.252 1.00 0.00 C ATOM 0 H ILE A 98 -11.697 -0.042 6.195 1.00 0.00 H new ATOM 0 HA ILE A 98 -9.526 1.881 5.401 1.00 0.00 H new ATOM 0 HB ILE A 98 -10.221 0.659 8.041 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -10.262 3.628 7.410 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -11.677 2.616 7.197 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -8.395 2.145 8.961 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -7.772 0.923 7.827 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -7.974 2.609 7.295 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -11.755 3.786 9.364 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -11.637 2.028 9.615 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -10.201 3.056 9.831 1.00 0.00 H new ATOM 1530 N LYS A 99 -8.207 -0.200 4.603 1.00 0.00 N ATOM 1531 CA LYS A 99 -7.258 -1.297 4.273 1.00 0.00 C ATOM 1532 C LYS A 99 -5.911 -1.017 5.002 1.00 0.00 C ATOM 1533 O LYS A 99 -5.145 -0.136 4.596 1.00 0.00 O ATOM 1534 CB LYS A 99 -7.114 -1.435 2.729 1.00 0.00 C ATOM 1535 CG LYS A 99 -6.779 -2.853 2.210 1.00 0.00 C ATOM 1536 CD LYS A 99 -5.400 -3.426 2.610 1.00 0.00 C ATOM 1537 CE LYS A 99 -5.145 -4.876 2.156 1.00 0.00 C ATOM 1538 NZ LYS A 99 -5.949 -5.864 2.904 1.00 0.00 N ATOM 0 H LYS A 99 -8.211 0.562 3.925 1.00 0.00 H new ATOM 0 HA LYS A 99 -7.629 -2.260 4.624 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -8.045 -1.109 2.265 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -6.334 -0.752 2.393 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -7.549 -3.537 2.566 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -6.841 -2.842 1.122 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -4.622 -2.787 2.192 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -5.303 -3.378 3.695 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -5.369 -4.963 1.093 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -4.087 -5.109 2.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -5.479 -6.791 2.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -6.042 -5.558 3.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -6.893 -5.939 2.475 1.00 0.00 H new ATOM 1552 N SER A 100 -5.660 -1.766 6.089 1.00 0.00 N ATOM 1553 CA SER A 100 -4.486 -1.551 6.974 1.00 0.00 C ATOM 1554 C SER A 100 -3.401 -2.616 6.670 1.00 0.00 C ATOM 1555 O SER A 100 -3.635 -3.820 6.828 1.00 0.00 O ATOM 1556 CB SER A 100 -4.926 -1.614 8.453 1.00 0.00 C ATOM 1557 OG SER A 100 -5.820 -0.554 8.766 1.00 0.00 O ATOM 0 H SER A 100 -6.259 -2.537 6.384 1.00 0.00 H new ATOM 0 HA SER A 100 -4.062 -0.565 6.786 1.00 0.00 H new ATOM 0 HB2 SER A 100 -5.408 -2.571 8.652 1.00 0.00 H new ATOM 0 HB3 SER A 100 -4.050 -1.558 9.099 1.00 0.00 H new ATOM 0 HG SER A 100 -6.502 -0.875 9.393 1.00 0.00 H new ATOM 1563 N VAL A 101 -2.214 -2.147 6.240 1.00 0.00 N ATOM 1564 CA VAL A 101 -1.044 -3.024 5.952 1.00 0.00 C ATOM 1565 C VAL A 101 0.067 -2.574 6.933 1.00 0.00 C ATOM 1566 O VAL A 101 0.749 -1.574 6.690 1.00 0.00 O ATOM 1567 CB VAL A 101 -0.608 -2.979 4.449 1.00 0.00 C ATOM 1568 CG1 VAL A 101 0.677 -3.791 4.156 1.00 0.00 C ATOM 1569 CG2 VAL A 101 -1.717 -3.515 3.520 1.00 0.00 C ATOM 0 H VAL A 101 -2.031 -1.156 6.081 1.00 0.00 H new ATOM 0 HA VAL A 101 -1.288 -4.075 6.106 1.00 0.00 H new ATOM 0 HB VAL A 101 -0.412 -1.925 4.252 1.00 0.00 H new ATOM 0 HG11 VAL A 101 0.921 -3.716 3.096 1.00 0.00 H new ATOM 0 HG12 VAL A 101 1.502 -3.393 4.747 1.00 0.00 H new ATOM 0 HG13 VAL A 101 0.514 -4.837 4.418 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -1.379 -3.468 2.485 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -1.943 -4.549 3.782 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -2.614 -2.907 3.636 1.00 0.00 H new ATOM 1579 N THR A 102 0.250 -3.356 8.010 1.00 0.00 N ATOM 1580 CA THR A 102 1.315 -3.108 9.019 1.00 0.00 C ATOM 1581 C THR A 102 2.523 -4.019 8.654 1.00 0.00 C ATOM 1582 O THR A 102 2.627 -5.151 9.140 1.00 0.00 O ATOM 1583 CB THR A 102 0.761 -3.337 10.460 1.00 0.00 C ATOM 1584 OG1 THR A 102 -0.409 -2.561 10.687 1.00 0.00 O ATOM 1585 CG2 THR A 102 1.755 -2.987 11.576 1.00 0.00 C ATOM 0 H THR A 102 -0.326 -4.173 8.212 1.00 0.00 H new ATOM 0 HA THR A 102 1.655 -2.072 9.007 1.00 0.00 H new ATOM 0 HB THR A 102 0.552 -4.406 10.503 1.00 0.00 H new ATOM 0 HG1 THR A 102 -0.738 -2.723 11.596 1.00 0.00 H new ATOM 0 HG21 THR A 102 1.294 -3.174 12.546 1.00 0.00 H new ATOM 0 HG22 THR A 102 2.648 -3.603 11.474 1.00 0.00 H new ATOM 0 HG23 THR A 102 2.030 -1.935 11.502 1.00 0.00 H new ATOM 1593 N GLU A 103 3.427 -3.512 7.791 1.00 0.00 N ATOM 1594 CA GLU A 103 4.632 -4.260 7.354 1.00 0.00 C ATOM 1595 C GLU A 103 5.848 -3.762 8.171 1.00 0.00 C ATOM 1596 O GLU A 103 6.201 -2.579 8.138 1.00 0.00 O ATOM 1597 CB GLU A 103 4.850 -4.116 5.824 1.00 0.00 C ATOM 1598 CG GLU A 103 5.899 -5.103 5.256 1.00 0.00 C ATOM 1599 CD GLU A 103 6.003 -5.108 3.727 1.00 0.00 C ATOM 1600 OE1 GLU A 103 6.115 -4.023 3.113 1.00 0.00 O ATOM 1601 OE2 GLU A 103 5.981 -6.207 3.130 1.00 0.00 O ATOM 0 H GLU A 103 3.347 -2.582 7.379 1.00 0.00 H new ATOM 0 HA GLU A 103 4.499 -5.325 7.543 1.00 0.00 H new ATOM 0 HB2 GLU A 103 3.900 -4.273 5.313 1.00 0.00 H new ATOM 0 HB3 GLU A 103 5.165 -3.096 5.604 1.00 0.00 H new ATOM 0 HG2 GLU A 103 6.875 -4.856 5.673 1.00 0.00 H new ATOM 0 HG3 GLU A 103 5.653 -6.110 5.594 1.00 0.00 H new ATOM 1608 N LEU A 104 6.507 -4.707 8.863 1.00 0.00 N ATOM 1609 CA LEU A 104 7.769 -4.433 9.601 1.00 0.00 C ATOM 1610 C LEU A 104 8.943 -4.442 8.583 1.00 0.00 C ATOM 1611 O LEU A 104 9.274 -5.494 8.022 1.00 0.00 O ATOM 1612 CB LEU A 104 7.943 -5.483 10.732 1.00 0.00 C ATOM 1613 CG LEU A 104 8.853 -5.118 11.935 1.00 0.00 C ATOM 1614 CD1 LEU A 104 8.820 -6.269 12.958 1.00 0.00 C ATOM 1615 CD2 LEU A 104 10.318 -4.806 11.579 1.00 0.00 C ATOM 0 H LEU A 104 6.191 -5.674 8.931 1.00 0.00 H new ATOM 0 HA LEU A 104 7.747 -3.454 10.079 1.00 0.00 H new ATOM 0 HB2 LEU A 104 6.953 -5.720 11.122 1.00 0.00 H new ATOM 0 HB3 LEU A 104 8.335 -6.395 10.282 1.00 0.00 H new ATOM 0 HG LEU A 104 8.445 -4.192 12.341 1.00 0.00 H new ATOM 0 HD11 LEU A 104 9.457 -6.020 13.807 1.00 0.00 H new ATOM 0 HD12 LEU A 104 7.797 -6.419 13.304 1.00 0.00 H new ATOM 0 HD13 LEU A 104 9.182 -7.184 12.488 1.00 0.00 H new ATOM 0 HD21 LEU A 104 10.869 -4.563 12.487 1.00 0.00 H new ATOM 0 HD22 LEU A 104 10.770 -5.676 11.102 1.00 0.00 H new ATOM 0 HD23 LEU A 104 10.354 -3.958 10.895 1.00 0.00 H new ATOM 1627 N ASN A 105 9.542 -3.262 8.340 1.00 0.00 N ATOM 1628 CA ASN A 105 10.581 -3.091 7.286 1.00 0.00 C ATOM 1629 C ASN A 105 11.981 -2.975 7.961 1.00 0.00 C ATOM 1630 O ASN A 105 12.553 -1.883 8.063 1.00 0.00 O ATOM 1631 CB ASN A 105 10.237 -1.875 6.374 1.00 0.00 C ATOM 1632 CG ASN A 105 8.844 -1.855 5.701 1.00 0.00 C ATOM 1633 OD1 ASN A 105 7.940 -1.142 6.135 1.00 0.00 O ATOM 1634 ND2 ASN A 105 8.638 -2.625 4.644 1.00 0.00 N ATOM 0 H ASN A 105 9.330 -2.407 8.855 1.00 0.00 H new ATOM 0 HA ASN A 105 10.604 -3.963 6.632 1.00 0.00 H new ATOM 0 HB2 ASN A 105 10.334 -0.969 6.972 1.00 0.00 H new ATOM 0 HB3 ASN A 105 10.990 -1.821 5.588 1.00 0.00 H new ATOM 0 HD21 ASN A 105 7.727 -2.629 4.186 1.00 0.00 H new ATOM 0 HD22 ASN A 105 9.391 -3.214 4.288 1.00 0.00 H new ATOM 1641 N GLY A 106 12.519 -4.118 8.440 1.00 0.00 N ATOM 1642 CA GLY A 106 13.816 -4.159 9.162 1.00 0.00 C ATOM 1643 C GLY A 106 13.656 -3.874 10.669 1.00 0.00 C ATOM 1644 O GLY A 106 13.501 -4.801 11.470 1.00 0.00 O ATOM 0 H GLY A 106 12.074 -5.031 8.340 1.00 0.00 H new ATOM 0 HA2 GLY A 106 14.274 -5.139 9.026 1.00 0.00 H new ATOM 0 HA3 GLY A 106 14.495 -3.426 8.726 1.00 0.00 H new ATOM 1648 N ASP A 107 13.663 -2.580 11.017 1.00 0.00 N ATOM 1649 CA ASP A 107 13.158 -2.070 12.327 1.00 0.00 C ATOM 1650 C ASP A 107 11.907 -1.144 12.171 1.00 0.00 C ATOM 1651 O ASP A 107 11.020 -1.191 13.029 1.00 0.00 O ATOM 1652 CB ASP A 107 14.262 -1.323 13.122 1.00 0.00 C ATOM 1653 CG ASP A 107 15.444 -2.189 13.585 1.00 0.00 C ATOM 1654 OD1 ASP A 107 15.279 -2.978 14.541 1.00 0.00 O ATOM 1655 OD2 ASP A 107 16.539 -2.083 12.991 1.00 0.00 O ATOM 0 H ASP A 107 14.017 -1.845 10.405 1.00 0.00 H new ATOM 0 HA ASP A 107 12.856 -2.954 12.888 1.00 0.00 H new ATOM 0 HB2 ASP A 107 14.648 -0.514 12.502 1.00 0.00 H new ATOM 0 HB3 ASP A 107 13.806 -0.863 13.999 1.00 0.00 H new ATOM 1660 N ILE A 108 11.847 -0.290 11.120 1.00 0.00 N ATOM 1661 CA ILE A 108 10.824 0.776 10.965 1.00 0.00 C ATOM 1662 C ILE A 108 9.502 0.118 10.459 1.00 0.00 C ATOM 1663 O ILE A 108 9.433 -0.398 9.341 1.00 0.00 O ATOM 1664 CB ILE A 108 11.332 1.927 10.019 1.00 0.00 C ATOM 1665 CG1 ILE A 108 12.663 2.624 10.463 1.00 0.00 C ATOM 1666 CG2 ILE A 108 10.262 3.035 9.845 1.00 0.00 C ATOM 1667 CD1 ILE A 108 13.964 1.935 10.017 1.00 0.00 C ATOM 0 H ILE A 108 12.513 -0.321 10.348 1.00 0.00 H new ATOM 0 HA ILE A 108 10.632 1.253 11.926 1.00 0.00 H new ATOM 0 HB ILE A 108 11.530 1.407 9.082 1.00 0.00 H new ATOM 0 HG12 ILE A 108 12.663 3.643 10.076 1.00 0.00 H new ATOM 0 HG13 ILE A 108 12.667 2.696 11.551 1.00 0.00 H new ATOM 0 HG21 ILE A 108 10.648 3.813 9.186 1.00 0.00 H new ATOM 0 HG22 ILE A 108 9.360 2.605 9.410 1.00 0.00 H new ATOM 0 HG23 ILE A 108 10.025 3.468 10.817 1.00 0.00 H new ATOM 0 HD11 ILE A 108 14.820 2.504 10.380 1.00 0.00 H new ATOM 0 HD12 ILE A 108 14.000 0.925 10.426 1.00 0.00 H new ATOM 0 HD13 ILE A 108 13.996 1.887 8.929 1.00 0.00 H new ATOM 1679 N ILE A 109 8.464 0.177 11.306 1.00 0.00 N ATOM 1680 CA ILE A 109 7.140 -0.439 11.035 1.00 0.00 C ATOM 1681 C ILE A 109 6.213 0.615 10.355 1.00 0.00 C ATOM 1682 O ILE A 109 5.969 1.695 10.903 1.00 0.00 O ATOM 1683 CB ILE A 109 6.593 -1.091 12.351 1.00 0.00 C ATOM 1684 CG1 ILE A 109 5.415 -2.059 12.075 1.00 0.00 C ATOM 1685 CG2 ILE A 109 6.230 -0.084 13.471 1.00 0.00 C ATOM 1686 CD1 ILE A 109 5.010 -2.884 13.302 1.00 0.00 C ATOM 0 H ILE A 109 8.511 0.655 12.206 1.00 0.00 H new ATOM 0 HA ILE A 109 7.203 -1.260 10.321 1.00 0.00 H new ATOM 0 HB ILE A 109 7.435 -1.667 12.736 1.00 0.00 H new ATOM 0 HG12 ILE A 109 4.555 -1.485 11.731 1.00 0.00 H new ATOM 0 HG13 ILE A 109 5.691 -2.735 11.266 1.00 0.00 H new ATOM 0 HG21 ILE A 109 5.861 -0.626 14.342 1.00 0.00 H new ATOM 0 HG22 ILE A 109 7.116 0.487 13.748 1.00 0.00 H new ATOM 0 HG23 ILE A 109 5.457 0.596 13.112 1.00 0.00 H new ATOM 0 HD11 ILE A 109 4.180 -3.541 13.041 1.00 0.00 H new ATOM 0 HD12 ILE A 109 5.858 -3.484 13.633 1.00 0.00 H new ATOM 0 HD13 ILE A 109 4.704 -2.214 14.106 1.00 0.00 H new ATOM 1698 N THR A 110 5.731 0.283 9.147 1.00 0.00 N ATOM 1699 CA THR A 110 4.961 1.222 8.288 1.00 0.00 C ATOM 1700 C THR A 110 3.497 0.702 8.210 1.00 0.00 C ATOM 1701 O THR A 110 3.226 -0.298 7.536 1.00 0.00 O ATOM 1702 CB THR A 110 5.650 1.362 6.897 1.00 0.00 C ATOM 1703 OG1 THR A 110 7.007 1.772 7.056 1.00 0.00 O ATOM 1704 CG2 THR A 110 4.980 2.394 5.972 1.00 0.00 C ATOM 0 H THR A 110 5.859 -0.640 8.731 1.00 0.00 H new ATOM 0 HA THR A 110 4.940 2.228 8.707 1.00 0.00 H new ATOM 0 HB THR A 110 5.566 0.376 6.439 1.00 0.00 H new ATOM 0 HG1 THR A 110 7.602 1.027 6.830 1.00 0.00 H new ATOM 0 HG21 THR A 110 5.516 2.435 5.024 1.00 0.00 H new ATOM 0 HG22 THR A 110 3.945 2.103 5.792 1.00 0.00 H new ATOM 0 HG23 THR A 110 5.004 3.376 6.445 1.00 0.00 H new ATOM 1712 N ASN A 111 2.569 1.409 8.884 1.00 0.00 N ATOM 1713 CA ASN A 111 1.114 1.099 8.851 1.00 0.00 C ATOM 1714 C ASN A 111 0.407 2.098 7.897 1.00 0.00 C ATOM 1715 O ASN A 111 0.151 3.252 8.250 1.00 0.00 O ATOM 1716 CB ASN A 111 0.565 1.066 10.309 1.00 0.00 C ATOM 1717 CG ASN A 111 -0.965 1.019 10.519 1.00 0.00 C ATOM 1718 OD1 ASN A 111 -1.529 1.859 11.218 1.00 0.00 O ATOM 1719 ND2 ASN A 111 -1.667 0.059 9.935 1.00 0.00 N ATOM 0 H ASN A 111 2.800 2.212 9.469 1.00 0.00 H new ATOM 0 HA ASN A 111 0.912 0.109 8.442 1.00 0.00 H new ATOM 0 HB2 ASN A 111 0.995 0.196 10.806 1.00 0.00 H new ATOM 0 HB3 ASN A 111 0.944 1.948 10.826 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -2.678 0.015 10.065 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -1.197 -0.636 9.356 1.00 0.00 H new ATOM 1726 N THR A 112 0.078 1.597 6.693 1.00 0.00 N ATOM 1727 CA THR A 112 -0.567 2.392 5.619 1.00 0.00 C ATOM 1728 C THR A 112 -2.094 2.089 5.660 1.00 0.00 C ATOM 1729 O THR A 112 -2.529 0.987 5.311 1.00 0.00 O ATOM 1730 CB THR A 112 0.101 2.037 4.258 1.00 0.00 C ATOM 1731 OG1 THR A 112 1.512 2.230 4.325 1.00 0.00 O ATOM 1732 CG2 THR A 112 -0.407 2.898 3.094 1.00 0.00 C ATOM 0 H THR A 112 0.250 0.626 6.431 1.00 0.00 H new ATOM 0 HA THR A 112 -0.436 3.465 5.758 1.00 0.00 H new ATOM 0 HB THR A 112 -0.158 0.994 4.075 1.00 0.00 H new ATOM 0 HG1 THR A 112 1.915 2.000 3.462 1.00 0.00 H new ATOM 0 HG21 THR A 112 0.097 2.601 2.175 1.00 0.00 H new ATOM 0 HG22 THR A 112 -1.482 2.758 2.980 1.00 0.00 H new ATOM 0 HG23 THR A 112 -0.198 3.948 3.300 1.00 0.00 H new ATOM 1740 N MET A 113 -2.882 3.084 6.101 1.00 0.00 N ATOM 1741 CA MET A 113 -4.338 2.927 6.365 1.00 0.00 C ATOM 1742 C MET A 113 -5.102 3.728 5.277 1.00 0.00 C ATOM 1743 O MET A 113 -5.127 4.964 5.299 1.00 0.00 O ATOM 1744 CB MET A 113 -4.672 3.427 7.797 1.00 0.00 C ATOM 1745 CG MET A 113 -4.043 2.622 8.949 1.00 0.00 C ATOM 1746 SD MET A 113 -4.334 3.418 10.546 1.00 0.00 S ATOM 1747 CE MET A 113 -6.024 2.923 10.931 1.00 0.00 C ATOM 0 H MET A 113 -2.535 4.025 6.287 1.00 0.00 H new ATOM 0 HA MET A 113 -4.639 1.880 6.317 1.00 0.00 H new ATOM 0 HB2 MET A 113 -4.349 4.464 7.884 1.00 0.00 H new ATOM 0 HB3 MET A 113 -5.755 3.419 7.921 1.00 0.00 H new ATOM 0 HG2 MET A 113 -4.460 1.615 8.961 1.00 0.00 H new ATOM 0 HG3 MET A 113 -2.971 2.521 8.781 1.00 0.00 H new ATOM 0 HE1 MET A 113 -6.319 3.350 11.890 1.00 0.00 H new ATOM 0 HE2 MET A 113 -6.695 3.283 10.152 1.00 0.00 H new ATOM 0 HE3 MET A 113 -6.081 1.836 10.985 1.00 0.00 H new ATOM 1757 N THR A 114 -5.691 3.005 4.307 1.00 0.00 N ATOM 1758 CA THR A 114 -6.249 3.614 3.068 1.00 0.00 C ATOM 1759 C THR A 114 -7.798 3.683 3.189 1.00 0.00 C ATOM 1760 O THR A 114 -8.474 2.651 3.179 1.00 0.00 O ATOM 1761 CB THR A 114 -5.783 2.811 1.817 1.00 0.00 C ATOM 1762 OG1 THR A 114 -4.362 2.692 1.795 1.00 0.00 O ATOM 1763 CG2 THR A 114 -6.199 3.447 0.475 1.00 0.00 C ATOM 0 H THR A 114 -5.797 1.991 4.351 1.00 0.00 H new ATOM 0 HA THR A 114 -5.877 4.631 2.945 1.00 0.00 H new ATOM 0 HB THR A 114 -6.274 1.842 1.912 1.00 0.00 H new ATOM 0 HG1 THR A 114 -4.089 2.183 1.003 1.00 0.00 H new ATOM 0 HG21 THR A 114 -5.838 2.830 -0.348 1.00 0.00 H new ATOM 0 HG22 THR A 114 -7.286 3.517 0.427 1.00 0.00 H new ATOM 0 HG23 THR A 114 -5.768 4.445 0.396 1.00 0.00 H new ATOM 1771 N LEU A 115 -8.331 4.915 3.254 1.00 0.00 N ATOM 1772 CA LEU A 115 -9.796 5.176 3.238 1.00 0.00 C ATOM 1773 C LEU A 115 -10.127 5.976 1.950 1.00 0.00 C ATOM 1774 O LEU A 115 -9.950 7.198 1.907 1.00 0.00 O ATOM 1775 CB LEU A 115 -10.200 5.911 4.546 1.00 0.00 C ATOM 1776 CG LEU A 115 -11.701 6.282 4.703 1.00 0.00 C ATOM 1777 CD1 LEU A 115 -12.619 5.050 4.822 1.00 0.00 C ATOM 1778 CD2 LEU A 115 -11.893 7.211 5.913 1.00 0.00 C ATOM 0 H LEU A 115 -7.767 5.762 3.319 1.00 0.00 H new ATOM 0 HA LEU A 115 -10.376 4.253 3.212 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -9.914 5.284 5.391 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -9.614 6.827 4.616 1.00 0.00 H new ATOM 0 HG LEU A 115 -11.994 6.801 3.790 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -13.654 5.376 4.929 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -12.523 4.437 3.926 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -12.331 4.465 5.695 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -12.948 7.464 6.013 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -11.554 6.706 6.817 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -11.313 8.123 5.768 1.00 0.00 H new ATOM 1790 N GLY A 116 -10.601 5.270 0.905 1.00 0.00 N ATOM 1791 CA GLY A 116 -10.891 5.882 -0.414 1.00 0.00 C ATOM 1792 C GLY A 116 -9.608 6.164 -1.222 1.00 0.00 C ATOM 1793 O GLY A 116 -9.047 5.257 -1.843 1.00 0.00 O ATOM 0 H GLY A 116 -10.793 4.269 0.946 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -11.539 5.218 -0.986 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -11.438 6.813 -0.268 1.00 0.00 H new ATOM 1797 N ASP A 117 -9.134 7.419 -1.143 1.00 0.00 N ATOM 1798 CA ASP A 117 -7.720 7.762 -1.458 1.00 0.00 C ATOM 1799 C ASP A 117 -7.184 8.767 -0.385 1.00 0.00 C ATOM 1800 O ASP A 117 -6.793 9.896 -0.702 1.00 0.00 O ATOM 1801 CB ASP A 117 -7.608 8.244 -2.935 1.00 0.00 C ATOM 1802 CG ASP A 117 -6.167 8.366 -3.455 1.00 0.00 C ATOM 1803 OD1 ASP A 117 -5.567 7.330 -3.820 1.00 0.00 O ATOM 1804 OD2 ASP A 117 -5.631 9.494 -3.496 1.00 0.00 O ATOM 0 H ASP A 117 -9.702 8.219 -0.865 1.00 0.00 H new ATOM 0 HA ASP A 117 -7.071 6.888 -1.396 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -8.154 7.550 -3.573 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -8.098 9.214 -3.026 1.00 0.00 H new ATOM 1809 N ILE A 118 -7.138 8.319 0.888 1.00 0.00 N ATOM 1810 CA ILE A 118 -6.519 9.071 2.013 1.00 0.00 C ATOM 1811 C ILE A 118 -5.428 8.100 2.542 1.00 0.00 C ATOM 1812 O ILE A 118 -5.742 7.109 3.211 1.00 0.00 O ATOM 1813 CB ILE A 118 -7.541 9.502 3.124 1.00 0.00 C ATOM 1814 CG1 ILE A 118 -8.695 10.389 2.572 1.00 0.00 C ATOM 1815 CG2 ILE A 118 -6.814 10.230 4.287 1.00 0.00 C ATOM 1816 CD1 ILE A 118 -9.892 10.588 3.517 1.00 0.00 C ATOM 0 H ILE A 118 -7.530 7.421 1.171 1.00 0.00 H new ATOM 0 HA ILE A 118 -6.111 10.028 1.686 1.00 0.00 H new ATOM 0 HB ILE A 118 -7.995 8.585 3.500 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -8.288 11.368 2.320 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -9.057 9.946 1.644 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -7.541 10.520 5.046 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -6.075 9.562 4.729 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -6.315 11.120 3.904 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -10.636 11.221 3.033 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -10.336 9.620 3.751 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -9.554 11.064 4.437 1.00 0.00 H new ATOM 1828 N VAL A 119 -4.155 8.410 2.244 1.00 0.00 N ATOM 1829 CA VAL A 119 -3.010 7.517 2.579 1.00 0.00 C ATOM 1830 C VAL A 119 -2.464 7.980 3.963 1.00 0.00 C ATOM 1831 O VAL A 119 -1.571 8.832 4.038 1.00 0.00 O ATOM 1832 CB VAL A 119 -1.946 7.507 1.422 1.00 0.00 C ATOM 1833 CG1 VAL A 119 -0.748 6.573 1.717 1.00 0.00 C ATOM 1834 CG2 VAL A 119 -2.521 7.097 0.040 1.00 0.00 C ATOM 0 H VAL A 119 -3.883 9.272 1.771 1.00 0.00 H new ATOM 0 HA VAL A 119 -3.314 6.474 2.664 1.00 0.00 H new ATOM 0 HB VAL A 119 -1.617 8.545 1.378 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -0.046 6.607 0.884 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -0.246 6.901 2.627 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -1.106 5.552 1.848 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -1.725 7.114 -0.705 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -2.937 6.092 0.103 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -3.305 7.797 -0.250 1.00 0.00 H new ATOM 1844 N PHE A 120 -3.009 7.393 5.050 1.00 0.00 N ATOM 1845 CA PHE A 120 -2.544 7.664 6.434 1.00 0.00 C ATOM 1846 C PHE A 120 -1.362 6.717 6.780 1.00 0.00 C ATOM 1847 O PHE A 120 -1.559 5.603 7.272 1.00 0.00 O ATOM 1848 CB PHE A 120 -3.745 7.590 7.414 1.00 0.00 C ATOM 1849 CG PHE A 120 -3.452 7.793 8.918 1.00 0.00 C ATOM 1850 CD1 PHE A 120 -2.743 8.911 9.373 1.00 0.00 C ATOM 1851 CD2 PHE A 120 -3.909 6.856 9.851 1.00 0.00 C ATOM 1852 CE1 PHE A 120 -2.501 9.089 10.731 1.00 0.00 C ATOM 1853 CE2 PHE A 120 -3.647 7.024 11.207 1.00 0.00 C ATOM 1854 CZ PHE A 120 -2.948 8.144 11.646 1.00 0.00 C ATOM 0 H PHE A 120 -3.777 6.723 4.998 1.00 0.00 H new ATOM 0 HA PHE A 120 -2.151 8.676 6.528 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -4.475 8.340 7.109 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -4.219 6.616 7.292 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -2.381 9.641 8.664 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -4.469 5.996 9.516 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -1.966 9.962 11.074 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -3.986 6.285 11.918 1.00 0.00 H new ATOM 0 HZ PHE A 120 -2.753 8.279 12.700 1.00 0.00 H new ATOM 1864 N LYS A 121 -0.137 7.198 6.505 1.00 0.00 N ATOM 1865 CA LYS A 121 1.100 6.393 6.639 1.00 0.00 C ATOM 1866 C LYS A 121 1.779 6.736 7.991 1.00 0.00 C ATOM 1867 O LYS A 121 2.276 7.850 8.185 1.00 0.00 O ATOM 1868 CB LYS A 121 2.005 6.671 5.409 1.00 0.00 C ATOM 1869 CG LYS A 121 3.161 5.661 5.236 1.00 0.00 C ATOM 1870 CD LYS A 121 4.080 5.925 4.021 1.00 0.00 C ATOM 1871 CE LYS A 121 3.452 5.782 2.617 1.00 0.00 C ATOM 1872 NZ LYS A 121 3.030 4.404 2.302 1.00 0.00 N ATOM 0 H LYS A 121 0.028 8.152 6.184 1.00 0.00 H new ATOM 0 HA LYS A 121 0.889 5.324 6.652 1.00 0.00 H new ATOM 0 HB2 LYS A 121 1.390 6.661 4.509 1.00 0.00 H new ATOM 0 HB3 LYS A 121 2.423 7.674 5.498 1.00 0.00 H new ATOM 0 HG2 LYS A 121 3.769 5.668 6.141 1.00 0.00 H new ATOM 0 HG3 LYS A 121 2.739 4.660 5.143 1.00 0.00 H new ATOM 0 HD2 LYS A 121 4.478 6.936 4.112 1.00 0.00 H new ATOM 0 HD3 LYS A 121 4.927 5.242 4.083 1.00 0.00 H new ATOM 0 HE2 LYS A 121 2.589 6.444 2.544 1.00 0.00 H new ATOM 0 HE3 LYS A 121 4.172 6.113 1.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 2.440 4.409 1.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 3.870 3.812 2.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 2.482 4.018 3.097 1.00 0.00 H new ATOM 1886 N ARG A 122 1.800 5.753 8.907 1.00 0.00 N ATOM 1887 CA ARG A 122 2.496 5.872 10.212 1.00 0.00 C ATOM 1888 C ARG A 122 3.914 5.255 10.076 1.00 0.00 C ATOM 1889 O ARG A 122 4.088 4.035 10.148 1.00 0.00 O ATOM 1890 CB ARG A 122 1.680 5.155 11.322 1.00 0.00 C ATOM 1891 CG ARG A 122 0.474 5.945 11.874 1.00 0.00 C ATOM 1892 CD ARG A 122 -0.095 5.296 13.151 1.00 0.00 C ATOM 1893 NE ARG A 122 -1.130 6.162 13.767 1.00 0.00 N ATOM 1894 CZ ARG A 122 -1.330 6.309 15.090 1.00 0.00 C ATOM 1895 NH1 ARG A 122 -0.630 5.672 16.026 1.00 0.00 N ATOM 1896 NH2 ARG A 122 -2.278 7.137 15.487 1.00 0.00 N ATOM 0 H ARG A 122 1.338 4.854 8.770 1.00 0.00 H new ATOM 0 HA ARG A 122 2.587 6.921 10.494 1.00 0.00 H new ATOM 0 HB2 ARG A 122 1.320 4.205 10.928 1.00 0.00 H new ATOM 0 HB3 ARG A 122 2.350 4.924 12.150 1.00 0.00 H new ATOM 0 HG2 ARG A 122 0.778 6.969 12.090 1.00 0.00 H new ATOM 0 HG3 ARG A 122 -0.306 5.998 11.114 1.00 0.00 H new ATOM 0 HD2 ARG A 122 -0.525 4.324 12.910 1.00 0.00 H new ATOM 0 HD3 ARG A 122 0.710 5.120 13.865 1.00 0.00 H new ATOM 0 HE ARG A 122 -1.738 6.687 13.139 1.00 0.00 H new ATOM 0 HH11 ARG A 122 0.111 5.025 15.757 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -0.835 5.831 17.013 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -2.834 7.643 14.798 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -2.454 7.270 16.483 1.00 0.00 H new ATOM 1910 N ILE A 123 4.928 6.127 9.916 1.00 0.00 N ATOM 1911 CA ILE A 123 6.364 5.731 9.904 1.00 0.00 C ATOM 1912 C ILE A 123 6.787 5.685 11.404 1.00 0.00 C ATOM 1913 O ILE A 123 6.855 6.735 12.046 1.00 0.00 O ATOM 1914 CB ILE A 123 7.239 6.720 9.043 1.00 0.00 C ATOM 1915 CG1 ILE A 123 6.836 6.826 7.535 1.00 0.00 C ATOM 1916 CG2 ILE A 123 8.746 6.357 9.100 1.00 0.00 C ATOM 1917 CD1 ILE A 123 5.736 7.848 7.211 1.00 0.00 C ATOM 0 H ILE A 123 4.782 7.129 9.791 1.00 0.00 H new ATOM 0 HA ILE A 123 6.518 4.762 9.429 1.00 0.00 H new ATOM 0 HB ILE A 123 7.045 7.687 9.507 1.00 0.00 H new ATOM 0 HG12 ILE A 123 7.725 7.080 6.957 1.00 0.00 H new ATOM 0 HG13 ILE A 123 6.506 5.844 7.196 1.00 0.00 H new ATOM 0 HG21 ILE A 123 9.313 7.063 8.494 1.00 0.00 H new ATOM 0 HG22 ILE A 123 9.093 6.405 10.132 1.00 0.00 H new ATOM 0 HG23 ILE A 123 8.892 5.348 8.714 1.00 0.00 H new ATOM 0 HD11 ILE A 123 5.535 7.839 6.140 1.00 0.00 H new ATOM 0 HD12 ILE A 123 4.827 7.588 7.753 1.00 0.00 H new ATOM 0 HD13 ILE A 123 6.065 8.843 7.510 1.00 0.00 H new ATOM 1929 N SER A 124 7.032 4.479 11.945 1.00 0.00 N ATOM 1930 CA SER A 124 7.296 4.286 13.396 1.00 0.00 C ATOM 1931 C SER A 124 8.649 3.560 13.572 1.00 0.00 C ATOM 1932 O SER A 124 8.772 2.367 13.291 1.00 0.00 O ATOM 1933 CB SER A 124 6.131 3.507 14.052 1.00 0.00 C ATOM 1934 OG SER A 124 4.944 4.286 14.103 1.00 0.00 O ATOM 0 H SER A 124 7.054 3.615 11.403 1.00 0.00 H new ATOM 0 HA SER A 124 7.359 5.252 13.897 1.00 0.00 H new ATOM 0 HB2 SER A 124 5.943 2.592 13.490 1.00 0.00 H new ATOM 0 HB3 SER A 124 6.415 3.209 15.061 1.00 0.00 H new ATOM 0 HG SER A 124 4.228 3.764 14.521 1.00 0.00 H new ATOM 1940 N LYS A 125 9.661 4.287 14.077 1.00 0.00 N ATOM 1941 CA LYS A 125 10.978 3.699 14.453 1.00 0.00 C ATOM 1942 C LYS A 125 10.912 2.828 15.749 1.00 0.00 C ATOM 1943 O LYS A 125 9.941 2.902 16.505 1.00 0.00 O ATOM 1944 CB LYS A 125 12.021 4.848 14.552 1.00 0.00 C ATOM 1945 CG LYS A 125 11.845 5.834 15.733 1.00 0.00 C ATOM 1946 CD LYS A 125 12.999 6.844 15.863 1.00 0.00 C ATOM 1947 CE LYS A 125 12.995 7.614 17.194 1.00 0.00 C ATOM 1948 NZ LYS A 125 11.907 8.606 17.303 1.00 0.00 N ATOM 0 H LYS A 125 9.600 5.292 14.239 1.00 0.00 H new ATOM 0 HA LYS A 125 11.287 3.000 13.676 1.00 0.00 H new ATOM 0 HB2 LYS A 125 13.014 4.404 14.622 1.00 0.00 H new ATOM 0 HB3 LYS A 125 11.992 5.418 13.623 1.00 0.00 H new ATOM 0 HG2 LYS A 125 10.909 6.378 15.606 1.00 0.00 H new ATOM 0 HG3 LYS A 125 11.762 5.267 16.660 1.00 0.00 H new ATOM 0 HD2 LYS A 125 13.947 6.315 15.761 1.00 0.00 H new ATOM 0 HD3 LYS A 125 12.942 7.557 15.040 1.00 0.00 H new ATOM 0 HE2 LYS A 125 12.909 6.902 18.015 1.00 0.00 H new ATOM 0 HE3 LYS A 125 13.952 8.123 17.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 11.966 9.086 18.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 11.999 9.307 16.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 10.989 8.125 17.222 1.00 0.00 H new ATOM 1962 N ARG A 126 11.979 2.055 16.029 1.00 0.00 N ATOM 1963 CA ARG A 126 12.157 1.389 17.353 1.00 0.00 C ATOM 1964 C ARG A 126 12.816 2.346 18.392 1.00 0.00 C ATOM 1965 O ARG A 126 13.585 3.247 18.033 1.00 0.00 O ATOM 1966 CB ARG A 126 12.872 0.016 17.204 1.00 0.00 C ATOM 1967 CG ARG A 126 14.323 -0.031 16.670 1.00 0.00 C ATOM 1968 CD ARG A 126 15.430 0.274 17.697 1.00 0.00 C ATOM 1969 NE ARG A 126 16.756 0.173 17.051 1.00 0.00 N ATOM 1970 CZ ARG A 126 17.928 0.435 17.664 1.00 0.00 C ATOM 1971 NH1 ARG A 126 18.035 0.786 18.944 1.00 0.00 N ATOM 1972 NH2 ARG A 126 19.034 0.338 16.950 1.00 0.00 N ATOM 0 H ARG A 126 12.732 1.871 15.366 1.00 0.00 H new ATOM 0 HA ARG A 126 11.172 1.160 17.761 1.00 0.00 H new ATOM 0 HB2 ARG A 126 12.868 -0.463 18.183 1.00 0.00 H new ATOM 0 HB3 ARG A 126 12.261 -0.601 16.545 1.00 0.00 H new ATOM 0 HG2 ARG A 126 14.504 -1.022 16.254 1.00 0.00 H new ATOM 0 HG3 ARG A 126 14.410 0.681 15.849 1.00 0.00 H new ATOM 0 HD2 ARG A 126 15.291 1.274 18.108 1.00 0.00 H new ATOM 0 HD3 ARG A 126 15.368 -0.425 18.531 1.00 0.00 H new ATOM 0 HE ARG A 126 16.786 -0.115 16.073 1.00 0.00 H new ATOM 0 HH11 ARG A 126 17.198 0.870 19.521 1.00 0.00 H new ATOM 0 HH12 ARG A 126 18.954 0.971 19.347 1.00 0.00 H new ATOM 0 HH21 ARG A 126 18.984 0.072 15.967 1.00 0.00 H new ATOM 0 HH22 ARG A 126 19.938 0.529 17.382 1.00 0.00 H new ATOM 1986 N ILE A 127 12.522 2.123 19.687 1.00 0.00 N ATOM 1987 CA ILE A 127 13.164 2.866 20.803 1.00 0.00 C ATOM 1988 C ILE A 127 13.551 1.811 21.845 1.00 0.00 C ATOM 1989 O ILE A 127 14.458 2.018 22.651 1.00 0.00 O ATOM 1990 CB ILE A 127 12.325 4.061 21.384 1.00 0.00 C ATOM 1991 CG1 ILE A 127 10.857 3.780 21.829 1.00 0.00 C ATOM 1992 CG2 ILE A 127 12.331 5.260 20.405 1.00 0.00 C ATOM 1993 CD1 ILE A 127 10.677 2.910 23.080 1.00 0.00 C ATOM 0 H ILE A 127 11.839 1.430 19.994 1.00 0.00 H new ATOM 0 HA ILE A 127 14.044 3.394 20.434 1.00 0.00 H new ATOM 0 HB ILE A 127 12.849 4.277 22.315 1.00 0.00 H new ATOM 0 HG12 ILE A 127 10.364 4.736 22.004 1.00 0.00 H new ATOM 0 HG13 ILE A 127 10.335 3.300 21.001 1.00 0.00 H new ATOM 0 HG21 ILE A 127 11.745 6.077 20.826 1.00 0.00 H new ATOM 0 HG22 ILE A 127 13.356 5.594 20.245 1.00 0.00 H new ATOM 0 HG23 ILE A 127 11.897 4.955 19.453 1.00 0.00 H new ATOM 0 HD11 ILE A 127 9.614 2.787 23.288 1.00 0.00 H new ATOM 0 HD12 ILE A 127 11.130 1.933 22.912 1.00 0.00 H new ATOM 0 HD13 ILE A 127 11.159 3.392 23.931 1.00 0.00 H new