USER MOD reduce.3.24.130724 H: found=0, std=0, add=1085, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1084 hydrogens (66 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 124 SER OG : rot 124:sc= 0.511! USER MOD Set 1.2: A 129 OLA O2 : rot -170:sc= 1.15 USER MOD Set 2.1: A 102 THR OG1 : rot -59:sc= 1.2 USER MOD Set 2.2: A 111 ASN : amide:sc= 0.977 K(o=2.2,f=-2.5!) USER MOD Set 3.1: A 100 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 113 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 94 THR OG1 : rot -106:sc= 0.999 USER MOD Set 4.2: A 99 LYS NZ :NH3+ -173:sc= 1.85 (180deg=0.55) USER MOD Set 5.1: A 81 THR OG1 : rot -56:sc= 1.2 USER MOD Set 5.2: A 93 THR OG1 : rot 49:sc= 2.19 USER MOD Set 6.1: A 47 HIS : no HD1:sc= 0 X(o=0,f=-0.31) USER MOD Set 6.2: A 64 THR OG1 : rot 180:sc= 0 USER MOD Set 7.1: A 56 SER OG : rot 171:sc= 0.773 USER MOD Set 7.2: A 128 OLA O2 : rot 30:sc= 1.06 USER MOD Set 8.1: A 10 GLN : amide:sc= 0.98 K(o=2.1,f=-4) USER MOD Set 8.2: A 36 LYS NZ :NH3+ 179:sc= 1.15 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.71 USER MOD Single : A 4 SER OG : rot 180:sc= 0.0799 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 1.14 (180deg=1.14) USER MOD Single : A 7 TYR OH : rot -130:sc= -0.0216 USER MOD Single : A 8 GLN : amide:sc= 0.864 K(o=0.86,f=-0.17) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 1.42 K(o=1.4,f=-4.8!) USER MOD Single : A 14 ASN : amide:sc= 0.458 X(o=0.46,f=0) USER MOD Single : A 19 MET CE :methyl 142:sc= -0.0333 (180deg=-0.975) USER MOD Single : A 20 LYS NZ :NH3+ -164:sc= 2.07 (180deg=1.33) USER MOD Single : A 30 GLN : amide:sc= 1.01 K(o=1,f=-0.61) USER MOD Single : A 31 LYS NZ :NH3+ 167:sc= 2.37 (180deg=2.09) USER MOD Single : A 33 LYS NZ :NH3+ 145:sc= 1.23 (180deg=-0.408!) USER MOD Single : A 39 SER OG : rot -158:sc= 0.938 USER MOD Single : A 43 GLN : amide:sc= 2.09 K(o=2.1,f=-3.5!) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 LYS NZ :NH3+ -139:sc= 1.28 (180deg=0.885) USER MOD Single : A 49 LYS NZ :NH3+ -146:sc= 1.09 (180deg=-0.537!) USER MOD Single : A 51 THR OG1 : rot 137:sc= 0.994 USER MOD Single : A 53 THR OG1 : rot -93:sc= 1.15 USER MOD Single : A 57 LYS NZ :NH3+ 175:sc= 1.19 (180deg=1.13) USER MOD Single : A 60 GLN : amide:sc= 0.143 K(o=0.14,f=-1.3!) USER MOD Single : A 61 ASN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 69 CYS SG : rot 44:sc= 0.774 USER MOD Single : A 73 THR OG1 : rot -119:sc= 1.02 USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot -143:sc= 1.3 USER MOD Single : A 78 LYS NZ :NH3+ 154:sc= 1.19 (180deg=1.13) USER MOD Single : A 80 LYS NZ :NH3+ -153:sc= 1.21 (180deg=-0.0782!) USER MOD Single : A 84 GLN : amide:sc= -0.488 X(o=-0.49,f=-0.003) USER MOD Single : A 89 ASN : amide:sc= 0.468 X(o=0.47,f=0) USER MOD Single : A 90 LYS NZ :NH3+ -162:sc= 1.2 (180deg=0.954) USER MOD Single : A 96 LYS NZ :NH3+ 156:sc= 1.15 (180deg=0.314) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 ASN : amide:sc= 0.77 K(o=0.77,f=0) USER MOD Single : A 110 THR OG1 : rot -2:sc= 1.22 USER MOD Single : A 112 THR OG1 : rot 180:sc=-0.00354 USER MOD Single : A 114 THR OG1 : rot -60:sc= 0.839 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 2 6.687 -10.496 -10.878 1.00 0.00 N ATOM 2 CA SER A 2 7.528 -11.025 -9.777 1.00 0.00 C ATOM 3 C SER A 2 7.546 -10.024 -8.587 1.00 0.00 C ATOM 4 O SER A 2 8.283 -9.033 -8.581 1.00 0.00 O ATOM 5 CB SER A 2 8.931 -11.320 -10.346 1.00 0.00 C ATOM 6 OG SER A 2 9.786 -11.886 -9.351 1.00 0.00 O ATOM 0 HA SER A 2 7.121 -11.955 -9.379 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.847 -12.006 -11.189 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.372 -10.399 -10.727 1.00 0.00 H new ATOM 0 HG SER A 2 10.668 -12.064 -9.740 1.00 0.00 H new ATOM 13 N PHE A 3 6.751 -10.322 -7.554 1.00 0.00 N ATOM 14 CA PHE A 3 6.580 -9.434 -6.363 1.00 0.00 C ATOM 15 C PHE A 3 7.567 -9.612 -5.161 1.00 0.00 C ATOM 16 O PHE A 3 7.454 -8.849 -4.201 1.00 0.00 O ATOM 17 CB PHE A 3 5.095 -9.545 -5.904 1.00 0.00 C ATOM 18 CG PHE A 3 4.085 -8.797 -6.788 1.00 0.00 C ATOM 19 CD1 PHE A 3 3.780 -7.457 -6.527 1.00 0.00 C ATOM 20 CD2 PHE A 3 3.442 -9.457 -7.841 1.00 0.00 C ATOM 21 CE1 PHE A 3 2.844 -6.787 -7.311 1.00 0.00 C ATOM 22 CE2 PHE A 3 2.491 -8.789 -8.604 1.00 0.00 C ATOM 23 CZ PHE A 3 2.191 -7.457 -8.338 1.00 0.00 C ATOM 0 H PHE A 3 6.202 -11.180 -7.505 1.00 0.00 H new ATOM 0 HA PHE A 3 6.847 -8.434 -6.705 1.00 0.00 H new ATOM 0 HB2 PHE A 3 4.818 -10.599 -5.873 1.00 0.00 H new ATOM 0 HB3 PHE A 3 5.016 -9.164 -4.886 1.00 0.00 H new ATOM 0 HD1 PHE A 3 4.272 -6.941 -5.716 1.00 0.00 H new ATOM 0 HD2 PHE A 3 3.685 -10.486 -8.061 1.00 0.00 H new ATOM 0 HE1 PHE A 3 2.626 -5.747 -7.121 1.00 0.00 H new ATOM 0 HE2 PHE A 3 1.984 -9.306 -9.405 1.00 0.00 H new ATOM 0 HZ PHE A 3 1.449 -6.943 -8.931 1.00 0.00 H new ATOM 33 N SER A 4 8.535 -10.546 -5.174 1.00 0.00 N ATOM 34 CA SER A 4 9.494 -10.722 -4.045 1.00 0.00 C ATOM 35 C SER A 4 10.601 -9.613 -4.017 1.00 0.00 C ATOM 36 O SER A 4 11.383 -9.481 -4.968 1.00 0.00 O ATOM 37 CB SER A 4 10.080 -12.151 -4.093 1.00 0.00 C ATOM 38 OG SER A 4 9.074 -13.122 -3.787 1.00 0.00 O ATOM 0 H SER A 4 8.682 -11.194 -5.948 1.00 0.00 H new ATOM 0 HA SER A 4 8.954 -10.601 -3.106 1.00 0.00 H new ATOM 0 HB2 SER A 4 10.492 -12.347 -5.083 1.00 0.00 H new ATOM 0 HB3 SER A 4 10.902 -12.236 -3.383 1.00 0.00 H new ATOM 0 HG SER A 4 9.464 -14.020 -3.824 1.00 0.00 H new ATOM 44 N GLY A 5 10.658 -8.819 -2.933 1.00 0.00 N ATOM 45 CA GLY A 5 11.654 -7.726 -2.787 1.00 0.00 C ATOM 46 C GLY A 5 11.348 -6.709 -1.661 1.00 0.00 C ATOM 47 O GLY A 5 10.254 -6.660 -1.090 1.00 0.00 O ATOM 0 H GLY A 5 10.025 -8.909 -2.138 1.00 0.00 H new ATOM 0 HA2 GLY A 5 12.632 -8.169 -2.600 1.00 0.00 H new ATOM 0 HA3 GLY A 5 11.723 -7.189 -3.733 1.00 0.00 H new ATOM 51 N LYS A 6 12.352 -5.877 -1.366 1.00 0.00 N ATOM 52 CA LYS A 6 12.262 -4.764 -0.375 1.00 0.00 C ATOM 53 C LYS A 6 12.238 -3.431 -1.186 1.00 0.00 C ATOM 54 O LYS A 6 13.267 -2.798 -1.422 1.00 0.00 O ATOM 55 CB LYS A 6 13.485 -4.852 0.576 1.00 0.00 C ATOM 56 CG LYS A 6 13.495 -6.034 1.574 1.00 0.00 C ATOM 57 CD LYS A 6 14.814 -6.093 2.376 1.00 0.00 C ATOM 58 CE LYS A 6 14.960 -7.310 3.312 1.00 0.00 C ATOM 59 NZ LYS A 6 14.082 -7.201 4.510 1.00 0.00 N ATOM 0 H LYS A 6 13.269 -5.946 -1.807 1.00 0.00 H new ATOM 0 HA LYS A 6 11.364 -4.820 0.240 1.00 0.00 H new ATOM 0 HB2 LYS A 6 14.388 -4.911 -0.032 1.00 0.00 H new ATOM 0 HB3 LYS A 6 13.543 -3.924 1.145 1.00 0.00 H new ATOM 0 HG2 LYS A 6 12.655 -5.937 2.262 1.00 0.00 H new ATOM 0 HG3 LYS A 6 13.357 -6.969 1.032 1.00 0.00 H new ATOM 0 HD2 LYS A 6 15.648 -6.093 1.674 1.00 0.00 H new ATOM 0 HD3 LYS A 6 14.899 -5.184 2.972 1.00 0.00 H new ATOM 0 HE2 LYS A 6 14.715 -8.220 2.764 1.00 0.00 H new ATOM 0 HE3 LYS A 6 15.999 -7.400 3.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 14.211 -8.039 5.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 14.332 -6.347 5.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 13.089 -7.141 4.208 1.00 0.00 H new ATOM 73 N TYR A 7 11.053 -2.986 -1.615 1.00 0.00 N ATOM 74 CA TYR A 7 10.905 -1.859 -2.578 1.00 0.00 C ATOM 75 C TYR A 7 10.989 -0.465 -1.880 1.00 0.00 C ATOM 76 O TYR A 7 10.057 -0.075 -1.172 1.00 0.00 O ATOM 77 CB TYR A 7 9.558 -2.018 -3.362 1.00 0.00 C ATOM 78 CG TYR A 7 9.308 -3.302 -4.194 1.00 0.00 C ATOM 79 CD1 TYR A 7 8.954 -4.500 -3.558 1.00 0.00 C ATOM 80 CD2 TYR A 7 9.375 -3.273 -5.592 1.00 0.00 C ATOM 81 CE1 TYR A 7 8.744 -5.658 -4.300 1.00 0.00 C ATOM 82 CE2 TYR A 7 9.139 -4.429 -6.336 1.00 0.00 C ATOM 83 CZ TYR A 7 8.849 -5.626 -5.686 1.00 0.00 C ATOM 84 OH TYR A 7 8.724 -6.790 -6.393 1.00 0.00 O ATOM 0 H TYR A 7 10.165 -3.386 -1.314 1.00 0.00 H new ATOM 0 HA TYR A 7 11.739 -1.900 -3.278 1.00 0.00 H new ATOM 0 HB2 TYR A 7 8.747 -1.934 -2.639 1.00 0.00 H new ATOM 0 HB3 TYR A 7 9.471 -1.168 -4.039 1.00 0.00 H new ATOM 0 HD1 TYR A 7 8.843 -4.524 -2.484 1.00 0.00 H new ATOM 0 HD2 TYR A 7 9.611 -2.349 -6.098 1.00 0.00 H new ATOM 0 HE1 TYR A 7 8.499 -6.583 -3.799 1.00 0.00 H new ATOM 0 HE2 TYR A 7 9.181 -4.396 -7.415 1.00 0.00 H new ATOM 0 HH TYR A 7 9.473 -6.875 -7.019 1.00 0.00 H new ATOM 94 N GLN A 8 12.080 0.304 -2.067 1.00 0.00 N ATOM 95 CA GLN A 8 12.208 1.652 -1.438 1.00 0.00 C ATOM 96 C GLN A 8 11.419 2.772 -2.195 1.00 0.00 C ATOM 97 O GLN A 8 11.488 2.899 -3.423 1.00 0.00 O ATOM 98 CB GLN A 8 13.697 2.018 -1.228 1.00 0.00 C ATOM 99 CG GLN A 8 13.897 3.171 -0.207 1.00 0.00 C ATOM 100 CD GLN A 8 15.333 3.628 0.037 1.00 0.00 C ATOM 101 OE1 GLN A 8 16.309 3.184 -0.560 1.00 0.00 O ATOM 102 NE2 GLN A 8 15.495 4.567 0.934 1.00 0.00 N ATOM 0 H GLN A 8 12.879 0.029 -2.638 1.00 0.00 H new ATOM 0 HA GLN A 8 11.734 1.589 -0.458 1.00 0.00 H new ATOM 0 HB2 GLN A 8 14.238 1.136 -0.884 1.00 0.00 H new ATOM 0 HB3 GLN A 8 14.134 2.306 -2.184 1.00 0.00 H new ATOM 0 HG2 GLN A 8 13.319 4.031 -0.547 1.00 0.00 H new ATOM 0 HG3 GLN A 8 13.472 2.858 0.747 1.00 0.00 H new ATOM 0 HE21 GLN A 8 14.688 4.940 1.433 1.00 0.00 H new ATOM 0 HE22 GLN A 8 16.429 4.926 1.134 1.00 0.00 H new ATOM 111 N LEU A 9 10.712 3.614 -1.422 1.00 0.00 N ATOM 112 CA LEU A 9 9.870 4.717 -1.952 1.00 0.00 C ATOM 113 C LEU A 9 10.682 5.879 -2.600 1.00 0.00 C ATOM 114 O LEU A 9 11.660 6.382 -2.041 1.00 0.00 O ATOM 115 CB LEU A 9 8.945 5.183 -0.791 1.00 0.00 C ATOM 116 CG LEU A 9 7.928 6.320 -1.092 1.00 0.00 C ATOM 117 CD1 LEU A 9 6.905 5.943 -2.179 1.00 0.00 C ATOM 118 CD2 LEU A 9 7.186 6.706 0.195 1.00 0.00 C ATOM 0 H LEU A 9 10.704 3.554 -0.404 1.00 0.00 H new ATOM 0 HA LEU A 9 9.272 4.350 -2.786 1.00 0.00 H new ATOM 0 HB2 LEU A 9 8.385 4.316 -0.439 1.00 0.00 H new ATOM 0 HB3 LEU A 9 9.579 5.509 0.033 1.00 0.00 H new ATOM 0 HG LEU A 9 8.503 7.164 -1.472 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.224 6.778 -2.343 1.00 0.00 H new ATOM 0 HD12 LEU A 9 7.428 5.714 -3.107 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.338 5.070 -1.857 1.00 0.00 H new ATOM 0 HD21 LEU A 9 6.474 7.503 -0.020 1.00 0.00 H new ATOM 0 HD22 LEU A 9 6.652 5.838 0.582 1.00 0.00 H new ATOM 0 HD23 LEU A 9 7.904 7.052 0.939 1.00 0.00 H new ATOM 130 N GLN A 10 10.233 6.302 -3.789 1.00 0.00 N ATOM 131 CA GLN A 10 10.860 7.401 -4.569 1.00 0.00 C ATOM 132 C GLN A 10 9.912 8.635 -4.653 1.00 0.00 C ATOM 133 O GLN A 10 10.265 9.707 -4.157 1.00 0.00 O ATOM 134 CB GLN A 10 11.271 6.851 -5.961 1.00 0.00 C ATOM 135 CG GLN A 10 12.347 5.741 -5.947 1.00 0.00 C ATOM 136 CD GLN A 10 13.798 6.198 -5.719 1.00 0.00 C ATOM 137 OE1 GLN A 10 14.103 7.291 -5.238 1.00 0.00 O ATOM 138 NE2 GLN A 10 14.744 5.351 -6.043 1.00 0.00 N ATOM 0 H GLN A 10 9.419 5.894 -4.249 1.00 0.00 H new ATOM 0 HA GLN A 10 11.760 7.756 -4.068 1.00 0.00 H new ATOM 0 HB2 GLN A 10 10.381 6.464 -6.456 1.00 0.00 H new ATOM 0 HB3 GLN A 10 11.637 7.680 -6.566 1.00 0.00 H new ATOM 0 HG2 GLN A 10 12.088 5.024 -5.168 1.00 0.00 H new ATOM 0 HG3 GLN A 10 12.302 5.209 -6.897 1.00 0.00 H new ATOM 0 HE21 GLN A 10 14.502 4.444 -6.442 1.00 0.00 H new ATOM 0 HE22 GLN A 10 15.723 5.599 -5.896 1.00 0.00 H new ATOM 147 N SER A 11 8.735 8.487 -5.288 1.00 0.00 N ATOM 148 CA SER A 11 7.722 9.574 -5.401 1.00 0.00 C ATOM 149 C SER A 11 6.374 9.172 -4.716 1.00 0.00 C ATOM 150 O SER A 11 5.902 8.035 -4.827 1.00 0.00 O ATOM 151 CB SER A 11 7.567 9.920 -6.899 1.00 0.00 C ATOM 152 OG SER A 11 6.654 11.000 -7.098 1.00 0.00 O ATOM 0 H SER A 11 8.452 7.617 -5.739 1.00 0.00 H new ATOM 0 HA SER A 11 8.052 10.466 -4.868 1.00 0.00 H new ATOM 0 HB2 SER A 11 8.540 10.184 -7.314 1.00 0.00 H new ATOM 0 HB3 SER A 11 7.216 9.042 -7.441 1.00 0.00 H new ATOM 0 HG SER A 11 6.581 11.194 -8.056 1.00 0.00 H new ATOM 158 N GLN A 12 5.759 10.124 -3.993 1.00 0.00 N ATOM 159 CA GLN A 12 4.457 9.924 -3.297 1.00 0.00 C ATOM 160 C GLN A 12 3.510 11.087 -3.735 1.00 0.00 C ATOM 161 O GLN A 12 3.767 12.254 -3.423 1.00 0.00 O ATOM 162 CB GLN A 12 4.752 9.848 -1.773 1.00 0.00 C ATOM 163 CG GLN A 12 3.597 9.286 -0.909 1.00 0.00 C ATOM 164 CD GLN A 12 3.937 8.787 0.507 1.00 0.00 C ATOM 165 OE1 GLN A 12 3.518 7.710 0.926 1.00 0.00 O ATOM 166 NE2 GLN A 12 4.648 9.538 1.313 1.00 0.00 N ATOM 0 H GLN A 12 6.145 11.060 -3.869 1.00 0.00 H new ATOM 0 HA GLN A 12 3.946 8.997 -3.557 1.00 0.00 H new ATOM 0 HB2 GLN A 12 5.635 9.228 -1.620 1.00 0.00 H new ATOM 0 HB3 GLN A 12 4.999 10.848 -1.416 1.00 0.00 H new ATOM 0 HG2 GLN A 12 2.839 10.064 -0.817 1.00 0.00 H new ATOM 0 HG3 GLN A 12 3.142 8.460 -1.455 1.00 0.00 H new ATOM 0 HE21 GLN A 12 5.007 10.436 0.989 1.00 0.00 H new ATOM 0 HE22 GLN A 12 4.842 9.224 2.264 1.00 0.00 H new ATOM 175 N GLU A 13 2.429 10.767 -4.470 1.00 0.00 N ATOM 176 CA GLU A 13 1.547 11.783 -5.111 1.00 0.00 C ATOM 177 C GLU A 13 0.488 12.411 -4.137 1.00 0.00 C ATOM 178 O GLU A 13 0.841 13.274 -3.328 1.00 0.00 O ATOM 179 CB GLU A 13 1.023 11.071 -6.395 1.00 0.00 C ATOM 180 CG GLU A 13 0.283 11.946 -7.437 1.00 0.00 C ATOM 181 CD GLU A 13 -0.418 11.111 -8.499 1.00 0.00 C ATOM 182 OE1 GLU A 13 0.247 10.658 -9.456 1.00 0.00 O ATOM 183 OE2 GLU A 13 -1.635 10.877 -8.358 1.00 0.00 O ATOM 0 H GLU A 13 2.136 9.805 -4.641 1.00 0.00 H new ATOM 0 HA GLU A 13 2.067 12.699 -5.392 1.00 0.00 H new ATOM 0 HB2 GLU A 13 1.872 10.600 -6.891 1.00 0.00 H new ATOM 0 HB3 GLU A 13 0.350 10.271 -6.087 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -0.450 12.572 -6.928 1.00 0.00 H new ATOM 0 HG3 GLU A 13 0.996 12.616 -7.917 1.00 0.00 H new ATOM 190 N ASN A 14 -0.792 11.990 -4.171 1.00 0.00 N ATOM 191 CA ASN A 14 -1.872 12.605 -3.345 1.00 0.00 C ATOM 192 C ASN A 14 -1.934 12.099 -1.864 1.00 0.00 C ATOM 193 O ASN A 14 -2.936 11.539 -1.412 1.00 0.00 O ATOM 194 CB ASN A 14 -3.216 12.432 -4.107 1.00 0.00 C ATOM 195 CG ASN A 14 -3.440 13.349 -5.312 1.00 0.00 C ATOM 196 OD1 ASN A 14 -3.637 14.550 -5.168 1.00 0.00 O ATOM 197 ND2 ASN A 14 -3.447 12.834 -6.517 1.00 0.00 N ATOM 0 H ASN A 14 -1.113 11.223 -4.762 1.00 0.00 H new ATOM 0 HA ASN A 14 -1.646 13.664 -3.222 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -3.285 11.399 -4.447 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -4.031 12.591 -3.401 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -3.616 13.432 -7.326 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -3.284 11.835 -6.646 1.00 0.00 H new ATOM 204 N PHE A 15 -0.866 12.350 -1.088 1.00 0.00 N ATOM 205 CA PHE A 15 -0.826 12.028 0.371 1.00 0.00 C ATOM 206 C PHE A 15 -1.652 13.062 1.218 1.00 0.00 C ATOM 207 O PHE A 15 -2.592 12.667 1.913 1.00 0.00 O ATOM 208 CB PHE A 15 0.665 11.877 0.777 1.00 0.00 C ATOM 209 CG PHE A 15 0.915 11.222 2.145 1.00 0.00 C ATOM 210 CD1 PHE A 15 0.946 12.003 3.302 1.00 0.00 C ATOM 211 CD2 PHE A 15 1.193 9.856 2.240 1.00 0.00 C ATOM 212 CE1 PHE A 15 1.270 11.428 4.528 1.00 0.00 C ATOM 213 CE2 PHE A 15 1.535 9.286 3.462 1.00 0.00 C ATOM 214 CZ PHE A 15 1.570 10.073 4.607 1.00 0.00 C ATOM 0 H PHE A 15 -0.008 12.777 -1.438 1.00 0.00 H new ATOM 0 HA PHE A 15 -1.323 11.082 0.585 1.00 0.00 H new ATOM 0 HB2 PHE A 15 1.174 11.288 0.013 1.00 0.00 H new ATOM 0 HB3 PHE A 15 1.125 12.865 0.777 1.00 0.00 H new ATOM 0 HD1 PHE A 15 0.718 13.057 3.246 1.00 0.00 H new ATOM 0 HD2 PHE A 15 1.142 9.237 1.357 1.00 0.00 H new ATOM 0 HE1 PHE A 15 1.288 12.036 5.420 1.00 0.00 H new ATOM 0 HE2 PHE A 15 1.773 8.234 3.521 1.00 0.00 H new ATOM 0 HZ PHE A 15 1.830 9.632 5.558 1.00 0.00 H new ATOM 224 N GLU A 16 -1.333 14.372 1.124 1.00 0.00 N ATOM 225 CA GLU A 16 -2.102 15.478 1.776 1.00 0.00 C ATOM 226 C GLU A 16 -3.648 15.486 1.510 1.00 0.00 C ATOM 227 O GLU A 16 -4.438 15.550 2.458 1.00 0.00 O ATOM 228 CB GLU A 16 -1.425 16.823 1.358 1.00 0.00 C ATOM 229 CG GLU A 16 -0.293 17.325 2.292 1.00 0.00 C ATOM 230 CD GLU A 16 -0.809 18.062 3.514 1.00 0.00 C ATOM 231 OE1 GLU A 16 -1.239 19.227 3.380 1.00 0.00 O ATOM 232 OE2 GLU A 16 -0.870 17.477 4.613 1.00 0.00 O ATOM 0 H GLU A 16 -0.529 14.704 0.591 1.00 0.00 H new ATOM 0 HA GLU A 16 -2.055 15.321 2.854 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.017 16.707 0.354 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.194 17.594 1.303 1.00 0.00 H new ATOM 0 HG2 GLU A 16 0.307 16.474 2.615 1.00 0.00 H new ATOM 0 HG3 GLU A 16 0.367 17.985 1.730 1.00 0.00 H new ATOM 239 N ALA A 17 -4.071 15.397 0.233 1.00 0.00 N ATOM 240 CA ALA A 17 -5.504 15.287 -0.146 1.00 0.00 C ATOM 241 C ALA A 17 -6.238 13.988 0.337 1.00 0.00 C ATOM 242 O ALA A 17 -7.389 14.074 0.771 1.00 0.00 O ATOM 243 CB ALA A 17 -5.559 15.470 -1.675 1.00 0.00 C ATOM 0 H ALA A 17 -3.436 15.399 -0.565 1.00 0.00 H new ATOM 0 HA ALA A 17 -6.065 16.061 0.377 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -6.593 15.399 -2.013 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -5.158 16.448 -1.939 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -4.965 14.693 -2.156 1.00 0.00 H new ATOM 249 N PHE A 18 -5.590 12.806 0.289 1.00 0.00 N ATOM 250 CA PHE A 18 -6.174 11.529 0.796 1.00 0.00 C ATOM 251 C PHE A 18 -6.284 11.460 2.346 1.00 0.00 C ATOM 252 O PHE A 18 -7.382 11.223 2.851 1.00 0.00 O ATOM 253 CB PHE A 18 -5.366 10.361 0.164 1.00 0.00 C ATOM 254 CG PHE A 18 -5.914 8.937 0.373 1.00 0.00 C ATOM 255 CD1 PHE A 18 -5.569 8.222 1.525 1.00 0.00 C ATOM 256 CD2 PHE A 18 -6.684 8.311 -0.614 1.00 0.00 C ATOM 257 CE1 PHE A 18 -5.973 6.901 1.683 1.00 0.00 C ATOM 258 CE2 PHE A 18 -7.087 6.987 -0.457 1.00 0.00 C ATOM 259 CZ PHE A 18 -6.728 6.284 0.691 1.00 0.00 C ATOM 0 H PHE A 18 -4.652 12.701 -0.098 1.00 0.00 H new ATOM 0 HA PHE A 18 -7.216 11.455 0.485 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -5.293 10.541 -0.908 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -4.352 10.396 0.563 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -4.984 8.700 2.297 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -6.967 8.857 -1.502 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -5.701 6.355 2.574 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -7.677 6.506 -1.224 1.00 0.00 H new ATOM 0 HZ PHE A 18 -7.037 5.256 0.811 1.00 0.00 H new ATOM 269 N MET A 19 -5.185 11.674 3.094 1.00 0.00 N ATOM 270 CA MET A 19 -5.196 11.642 4.583 1.00 0.00 C ATOM 271 C MET A 19 -6.144 12.698 5.247 1.00 0.00 C ATOM 272 O MET A 19 -6.851 12.344 6.195 1.00 0.00 O ATOM 273 CB MET A 19 -3.739 11.664 5.101 1.00 0.00 C ATOM 274 CG MET A 19 -2.903 10.385 4.869 1.00 0.00 C ATOM 275 SD MET A 19 -2.697 10.037 3.108 1.00 0.00 S ATOM 276 CE MET A 19 -2.292 8.287 3.126 1.00 0.00 C ATOM 0 H MET A 19 -4.268 11.873 2.695 1.00 0.00 H new ATOM 0 HA MET A 19 -5.651 10.704 4.901 1.00 0.00 H new ATOM 0 HB2 MET A 19 -3.222 12.499 4.629 1.00 0.00 H new ATOM 0 HB3 MET A 19 -3.761 11.867 6.172 1.00 0.00 H new ATOM 0 HG2 MET A 19 -1.924 10.500 5.335 1.00 0.00 H new ATOM 0 HG3 MET A 19 -3.390 9.538 5.354 1.00 0.00 H new ATOM 0 HE1 MET A 19 -2.768 7.795 2.278 1.00 0.00 H new ATOM 0 HE2 MET A 19 -1.211 8.163 3.057 1.00 0.00 H new ATOM 0 HE3 MET A 19 -2.650 7.840 4.053 1.00 0.00 H new ATOM 286 N LYS A 20 -6.220 13.954 4.747 1.00 0.00 N ATOM 287 CA LYS A 20 -7.284 14.914 5.173 1.00 0.00 C ATOM 288 C LYS A 20 -8.733 14.458 4.762 1.00 0.00 C ATOM 289 O LYS A 20 -9.629 14.556 5.604 1.00 0.00 O ATOM 290 CB LYS A 20 -6.952 16.359 4.707 1.00 0.00 C ATOM 291 CG LYS A 20 -5.972 17.120 5.635 1.00 0.00 C ATOM 292 CD LYS A 20 -5.795 18.612 5.260 1.00 0.00 C ATOM 293 CE LYS A 20 -4.661 18.911 4.257 1.00 0.00 C ATOM 294 NZ LYS A 20 -3.361 19.022 4.967 1.00 0.00 N ATOM 0 H LYS A 20 -5.570 14.329 4.057 1.00 0.00 H new ATOM 0 HA LYS A 20 -7.290 14.917 6.263 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -6.525 16.316 3.705 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.880 16.927 4.634 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -6.331 17.052 6.662 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -5.000 16.628 5.604 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.733 18.978 4.842 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -5.610 19.179 6.172 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -4.609 18.119 3.510 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -4.873 19.838 3.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -2.665 19.482 4.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.484 19.590 5.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -3.023 18.072 5.223 1.00 0.00 H new ATOM 308 N ALA A 21 -8.984 13.937 3.533 1.00 0.00 N ATOM 309 CA ALA A 21 -10.308 13.359 3.159 1.00 0.00 C ATOM 310 C ALA A 21 -10.793 12.137 4.018 1.00 0.00 C ATOM 311 O ALA A 21 -11.983 12.062 4.332 1.00 0.00 O ATOM 312 CB ALA A 21 -10.259 13.020 1.657 1.00 0.00 C ATOM 0 H ALA A 21 -8.292 13.904 2.785 1.00 0.00 H new ATOM 0 HA ALA A 21 -11.063 14.114 3.378 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.214 12.594 1.349 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -10.065 13.928 1.085 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.463 12.298 1.473 1.00 0.00 H new ATOM 318 N ILE A 22 -9.901 11.204 4.415 1.00 0.00 N ATOM 319 CA ILE A 22 -10.257 10.067 5.332 1.00 0.00 C ATOM 320 C ILE A 22 -10.255 10.409 6.874 1.00 0.00 C ATOM 321 O ILE A 22 -10.628 9.547 7.676 1.00 0.00 O ATOM 322 CB ILE A 22 -9.448 8.758 4.997 1.00 0.00 C ATOM 323 CG1 ILE A 22 -7.917 8.845 5.258 1.00 0.00 C ATOM 324 CG2 ILE A 22 -9.729 8.251 3.560 1.00 0.00 C ATOM 325 CD1 ILE A 22 -7.191 7.495 5.366 1.00 0.00 C ATOM 0 H ILE A 22 -8.924 11.204 4.122 1.00 0.00 H new ATOM 0 HA ILE A 22 -11.307 9.869 5.117 1.00 0.00 H new ATOM 0 HB ILE A 22 -9.826 8.027 5.711 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -7.460 9.421 4.453 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -7.754 9.401 6.181 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -9.150 7.347 3.373 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -10.791 8.030 3.453 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -9.444 9.019 2.841 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -6.130 7.666 5.548 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -7.613 6.920 6.190 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -7.315 6.940 4.436 1.00 0.00 H new ATOM 337 N GLY A 23 -9.846 11.621 7.302 1.00 0.00 N ATOM 338 CA GLY A 23 -9.867 12.047 8.727 1.00 0.00 C ATOM 339 C GLY A 23 -8.595 11.837 9.577 1.00 0.00 C ATOM 340 O GLY A 23 -8.709 11.347 10.701 1.00 0.00 O ATOM 0 H GLY A 23 -9.490 12.339 6.671 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -10.111 13.109 8.752 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -10.685 11.520 9.219 1.00 0.00 H new ATOM 344 N LEU A 24 -7.412 12.244 9.084 1.00 0.00 N ATOM 345 CA LEU A 24 -6.131 12.135 9.843 1.00 0.00 C ATOM 346 C LEU A 24 -5.507 13.529 10.248 1.00 0.00 C ATOM 347 O LEU A 24 -5.804 14.543 9.605 1.00 0.00 O ATOM 348 CB LEU A 24 -5.137 11.223 9.058 1.00 0.00 C ATOM 349 CG LEU A 24 -5.026 9.777 9.614 1.00 0.00 C ATOM 350 CD1 LEU A 24 -6.183 8.884 9.140 1.00 0.00 C ATOM 351 CD2 LEU A 24 -3.680 9.150 9.235 1.00 0.00 C ATOM 0 H LEU A 24 -7.306 12.656 8.157 1.00 0.00 H new ATOM 0 HA LEU A 24 -6.351 11.664 10.801 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.450 11.176 8.015 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.149 11.683 9.074 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.090 9.848 10.700 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.063 7.883 9.554 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.130 9.305 9.478 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.178 8.830 8.051 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.625 8.138 9.635 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.587 9.117 8.149 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.870 9.749 9.651 1.00 0.00 H new ATOM 363 N PRO A 25 -4.619 13.629 11.290 1.00 0.00 N ATOM 364 CA PRO A 25 -4.029 14.922 11.729 1.00 0.00 C ATOM 365 C PRO A 25 -2.876 15.473 10.850 1.00 0.00 C ATOM 366 O PRO A 25 -1.930 14.758 10.509 1.00 0.00 O ATOM 367 CB PRO A 25 -3.500 14.605 13.139 1.00 0.00 C ATOM 368 CG PRO A 25 -3.294 13.090 13.186 1.00 0.00 C ATOM 369 CD PRO A 25 -4.189 12.480 12.112 1.00 0.00 C ATOM 0 HA PRO A 25 -4.782 15.708 11.670 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -2.565 15.131 13.332 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -4.209 14.925 13.902 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -2.249 12.838 13.005 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -3.551 12.697 14.170 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -3.648 11.746 11.515 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -5.043 11.966 12.553 1.00 0.00 H new ATOM 377 N GLU A 26 -2.909 16.787 10.592 1.00 0.00 N ATOM 378 CA GLU A 26 -1.866 17.496 9.805 1.00 0.00 C ATOM 379 C GLU A 26 -0.388 17.372 10.318 1.00 0.00 C ATOM 380 O GLU A 26 0.526 17.271 9.496 1.00 0.00 O ATOM 381 CB GLU A 26 -2.351 18.947 9.618 1.00 0.00 C ATOM 382 CG GLU A 26 -3.618 19.123 8.733 1.00 0.00 C ATOM 383 CD GLU A 26 -3.799 20.505 8.135 1.00 0.00 C ATOM 384 OE1 GLU A 26 -4.382 21.382 8.801 1.00 0.00 O ATOM 385 OE2 GLU A 26 -3.397 20.697 6.968 1.00 0.00 O ATOM 0 H GLU A 26 -3.657 17.398 10.919 1.00 0.00 H new ATOM 0 HA GLU A 26 -1.769 16.992 8.844 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -2.554 19.373 10.601 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.540 19.529 9.180 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -3.580 18.396 7.922 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -4.497 18.886 9.333 1.00 0.00 H new ATOM 392 N GLU A 27 -0.170 17.333 11.647 1.00 0.00 N ATOM 393 CA GLU A 27 1.148 17.021 12.279 1.00 0.00 C ATOM 394 C GLU A 27 1.742 15.625 11.864 1.00 0.00 C ATOM 395 O GLU A 27 2.883 15.569 11.393 1.00 0.00 O ATOM 396 CB GLU A 27 0.938 17.235 13.807 1.00 0.00 C ATOM 397 CG GLU A 27 2.132 16.935 14.756 1.00 0.00 C ATOM 398 CD GLU A 27 2.225 15.511 15.299 1.00 0.00 C ATOM 399 OE1 GLU A 27 1.212 14.981 15.798 1.00 0.00 O ATOM 400 OE2 GLU A 27 3.328 14.927 15.262 1.00 0.00 O ATOM 0 H GLU A 27 -0.906 17.518 12.329 1.00 0.00 H new ATOM 0 HA GLU A 27 1.933 17.686 11.917 1.00 0.00 H new ATOM 0 HB2 GLU A 27 0.641 18.272 13.961 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.099 16.613 14.119 1.00 0.00 H new ATOM 0 HG2 GLU A 27 3.056 17.159 14.224 1.00 0.00 H new ATOM 0 HG3 GLU A 27 2.077 17.620 15.602 1.00 0.00 H new ATOM 407 N LEU A 28 0.975 14.519 11.979 1.00 0.00 N ATOM 408 CA LEU A 28 1.420 13.178 11.485 1.00 0.00 C ATOM 409 C LEU A 28 1.507 13.074 9.915 1.00 0.00 C ATOM 410 O LEU A 28 2.422 12.433 9.390 1.00 0.00 O ATOM 411 CB LEU A 28 0.558 12.034 12.097 1.00 0.00 C ATOM 412 CG LEU A 28 0.344 11.978 13.639 1.00 0.00 C ATOM 413 CD1 LEU A 28 -0.509 10.752 14.016 1.00 0.00 C ATOM 414 CD2 LEU A 28 1.633 11.949 14.474 1.00 0.00 C ATOM 0 H LEU A 28 0.048 14.518 12.406 1.00 0.00 H new ATOM 0 HA LEU A 28 2.444 13.055 11.837 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.427 12.082 11.632 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.008 11.088 11.795 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.163 12.912 13.881 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.650 10.726 15.096 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.480 10.819 13.524 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.001 9.843 13.694 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.379 11.910 15.533 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.219 11.069 14.209 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.217 12.847 14.273 1.00 0.00 H new ATOM 426 N ILE A 29 0.593 13.727 9.163 1.00 0.00 N ATOM 427 CA ILE A 29 0.633 13.817 7.665 1.00 0.00 C ATOM 428 C ILE A 29 1.931 14.551 7.168 1.00 0.00 C ATOM 429 O ILE A 29 2.642 14.020 6.311 1.00 0.00 O ATOM 430 CB ILE A 29 -0.692 14.431 7.079 1.00 0.00 C ATOM 431 CG1 ILE A 29 -1.974 13.661 7.505 1.00 0.00 C ATOM 432 CG2 ILE A 29 -0.686 14.509 5.529 1.00 0.00 C ATOM 433 CD1 ILE A 29 -3.304 14.407 7.274 1.00 0.00 C ATOM 0 H ILE A 29 -0.205 14.214 9.571 1.00 0.00 H new ATOM 0 HA ILE A 29 0.688 12.802 7.271 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.718 15.435 7.503 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.008 12.717 6.961 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -1.894 13.416 8.564 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -1.625 14.941 5.183 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.144 15.134 5.199 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -0.573 13.507 5.115 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -4.134 13.782 7.605 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -3.302 15.338 7.841 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -3.417 14.629 6.213 1.00 0.00 H new ATOM 445 N GLN A 30 2.257 15.736 7.726 1.00 0.00 N ATOM 446 CA GLN A 30 3.553 16.439 7.472 1.00 0.00 C ATOM 447 C GLN A 30 4.851 15.624 7.809 1.00 0.00 C ATOM 448 O GLN A 30 5.890 15.867 7.190 1.00 0.00 O ATOM 449 CB GLN A 30 3.508 17.829 8.178 1.00 0.00 C ATOM 450 CG GLN A 30 2.986 19.037 7.344 1.00 0.00 C ATOM 451 CD GLN A 30 1.876 18.815 6.307 1.00 0.00 C ATOM 452 OE1 GLN A 30 2.125 18.821 5.105 1.00 0.00 O ATOM 453 NE2 GLN A 30 0.653 18.585 6.717 1.00 0.00 N ATOM 0 H GLN A 30 1.639 16.238 8.364 1.00 0.00 H new ATOM 0 HA GLN A 30 3.641 16.565 6.393 1.00 0.00 H new ATOM 0 HB2 GLN A 30 2.882 17.736 9.066 1.00 0.00 H new ATOM 0 HB3 GLN A 30 4.515 18.066 8.521 1.00 0.00 H new ATOM 0 HG2 GLN A 30 2.631 19.790 8.047 1.00 0.00 H new ATOM 0 HG3 GLN A 30 3.840 19.467 6.821 1.00 0.00 H new ATOM 0 HE21 GLN A 30 0.442 18.579 7.715 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -0.088 18.412 6.038 1.00 0.00 H new ATOM 462 N LYS A 31 4.792 14.659 8.745 1.00 0.00 N ATOM 463 CA LYS A 31 5.911 13.719 9.015 1.00 0.00 C ATOM 464 C LYS A 31 6.012 12.600 7.925 1.00 0.00 C ATOM 465 O LYS A 31 7.053 12.492 7.274 1.00 0.00 O ATOM 466 CB LYS A 31 5.723 13.151 10.444 1.00 0.00 C ATOM 467 CG LYS A 31 6.122 14.112 11.586 1.00 0.00 C ATOM 468 CD LYS A 31 5.696 13.533 12.944 1.00 0.00 C ATOM 469 CE LYS A 31 6.287 14.286 14.143 1.00 0.00 C ATOM 470 NZ LYS A 31 5.649 13.729 15.359 1.00 0.00 N ATOM 0 H LYS A 31 3.975 14.504 9.336 1.00 0.00 H new ATOM 0 HA LYS A 31 6.863 14.247 8.963 1.00 0.00 H new ATOM 0 HB2 LYS A 31 4.677 12.872 10.573 1.00 0.00 H new ATOM 0 HB3 LYS A 31 6.311 12.238 10.536 1.00 0.00 H new ATOM 0 HG2 LYS A 31 7.200 14.274 11.574 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.652 15.084 11.434 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.608 13.552 13.013 1.00 0.00 H new ATOM 0 HD3 LYS A 31 6.000 12.488 12.996 1.00 0.00 H new ATOM 0 HE2 LYS A 31 7.369 14.160 14.183 1.00 0.00 H new ATOM 0 HE3 LYS A 31 6.093 15.355 14.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 6.170 14.047 16.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 4.664 14.058 15.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 5.665 12.690 15.314 1.00 0.00 H new ATOM 484 N GLY A 32 4.956 11.786 7.702 1.00 0.00 N ATOM 485 CA GLY A 32 4.984 10.708 6.672 1.00 0.00 C ATOM 486 C GLY A 32 4.929 11.050 5.162 1.00 0.00 C ATOM 487 O GLY A 32 5.109 10.131 4.358 1.00 0.00 O ATOM 0 H GLY A 32 4.076 11.849 8.215 1.00 0.00 H new ATOM 0 HA2 GLY A 32 5.895 10.132 6.837 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.145 10.044 6.881 1.00 0.00 H new ATOM 491 N LYS A 33 4.694 12.311 4.758 1.00 0.00 N ATOM 492 CA LYS A 33 4.642 12.704 3.317 1.00 0.00 C ATOM 493 C LYS A 33 5.969 12.616 2.482 1.00 0.00 C ATOM 494 O LYS A 33 5.918 12.183 1.326 1.00 0.00 O ATOM 495 CB LYS A 33 3.956 14.094 3.192 1.00 0.00 C ATOM 496 CG LYS A 33 4.699 15.301 3.821 1.00 0.00 C ATOM 497 CD LYS A 33 4.056 16.670 3.535 1.00 0.00 C ATOM 498 CE LYS A 33 4.326 17.232 2.123 1.00 0.00 C ATOM 499 NZ LYS A 33 5.714 17.763 1.986 1.00 0.00 N ATOM 0 H LYS A 33 4.535 13.086 5.402 1.00 0.00 H new ATOM 0 HA LYS A 33 4.047 11.925 2.840 1.00 0.00 H new ATOM 0 HB2 LYS A 33 3.804 14.303 2.133 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.969 14.028 3.649 1.00 0.00 H new ATOM 0 HG2 LYS A 33 4.750 15.157 4.900 1.00 0.00 H new ATOM 0 HG3 LYS A 33 5.725 15.312 3.452 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.979 16.586 3.677 1.00 0.00 H new ATOM 0 HD3 LYS A 33 4.419 17.387 4.271 1.00 0.00 H new ATOM 0 HE2 LYS A 33 4.164 16.447 1.384 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.611 18.026 1.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 6.062 17.579 1.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 5.713 18.788 2.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 6.335 17.292 2.675 1.00 0.00 H new ATOM 513 N ASP A 34 7.122 13.016 3.047 1.00 0.00 N ATOM 514 CA ASP A 34 8.431 13.066 2.316 1.00 0.00 C ATOM 515 C ASP A 34 9.484 11.950 2.681 1.00 0.00 C ATOM 516 O ASP A 34 10.567 11.919 2.086 1.00 0.00 O ATOM 517 CB ASP A 34 9.042 14.484 2.532 1.00 0.00 C ATOM 518 CG ASP A 34 8.208 15.689 2.082 1.00 0.00 C ATOM 519 OD1 ASP A 34 7.889 15.824 0.884 1.00 0.00 O ATOM 520 OD2 ASP A 34 7.819 16.505 2.944 1.00 0.00 O ATOM 0 H ASP A 34 7.188 13.316 4.020 1.00 0.00 H new ATOM 0 HA ASP A 34 8.203 12.860 1.270 1.00 0.00 H new ATOM 0 HB2 ASP A 34 9.255 14.600 3.595 1.00 0.00 H new ATOM 0 HB3 ASP A 34 9.998 14.522 2.009 1.00 0.00 H new ATOM 525 N ILE A 35 9.200 11.019 3.618 1.00 0.00 N ATOM 526 CA ILE A 35 10.167 9.969 4.068 1.00 0.00 C ATOM 527 C ILE A 35 10.288 8.829 2.997 1.00 0.00 C ATOM 528 O ILE A 35 9.332 8.080 2.764 1.00 0.00 O ATOM 529 CB ILE A 35 9.774 9.438 5.503 1.00 0.00 C ATOM 530 CG1 ILE A 35 9.826 10.542 6.608 1.00 0.00 C ATOM 531 CG2 ILE A 35 10.645 8.237 5.973 1.00 0.00 C ATOM 532 CD1 ILE A 35 9.107 10.203 7.929 1.00 0.00 C ATOM 0 H ILE A 35 8.297 10.966 4.089 1.00 0.00 H new ATOM 0 HA ILE A 35 11.161 10.408 4.159 1.00 0.00 H new ATOM 0 HB ILE A 35 8.743 9.106 5.380 1.00 0.00 H new ATOM 0 HG12 ILE A 35 10.871 10.758 6.830 1.00 0.00 H new ATOM 0 HG13 ILE A 35 9.390 11.456 6.203 1.00 0.00 H new ATOM 0 HG21 ILE A 35 10.324 7.921 6.965 1.00 0.00 H new ATOM 0 HG22 ILE A 35 10.531 7.409 5.274 1.00 0.00 H new ATOM 0 HG23 ILE A 35 11.692 8.539 6.010 1.00 0.00 H new ATOM 0 HD11 ILE A 35 9.207 11.038 8.622 1.00 0.00 H new ATOM 0 HD12 ILE A 35 8.051 10.019 7.732 1.00 0.00 H new ATOM 0 HD13 ILE A 35 9.554 9.311 8.368 1.00 0.00 H new ATOM 544 N LYS A 36 11.486 8.650 2.402 1.00 0.00 N ATOM 545 CA LYS A 36 11.748 7.544 1.431 1.00 0.00 C ATOM 546 C LYS A 36 12.003 6.170 2.152 1.00 0.00 C ATOM 547 O LYS A 36 13.131 5.668 2.214 1.00 0.00 O ATOM 548 CB LYS A 36 12.928 7.934 0.494 1.00 0.00 C ATOM 549 CG LYS A 36 12.652 9.038 -0.556 1.00 0.00 C ATOM 550 CD LYS A 36 13.715 9.015 -1.678 1.00 0.00 C ATOM 551 CE LYS A 36 13.457 10.062 -2.774 1.00 0.00 C ATOM 552 NZ LYS A 36 14.339 9.791 -3.943 1.00 0.00 N ATOM 0 H LYS A 36 12.292 9.252 2.571 1.00 0.00 H new ATOM 0 HA LYS A 36 10.854 7.404 0.824 1.00 0.00 H new ATOM 0 HB2 LYS A 36 13.762 8.258 1.116 1.00 0.00 H new ATOM 0 HB3 LYS A 36 13.253 7.037 -0.034 1.00 0.00 H new ATOM 0 HG2 LYS A 36 11.661 8.895 -0.987 1.00 0.00 H new ATOM 0 HG3 LYS A 36 12.651 10.014 -0.071 1.00 0.00 H new ATOM 0 HD2 LYS A 36 14.699 9.189 -1.242 1.00 0.00 H new ATOM 0 HD3 LYS A 36 13.737 8.023 -2.129 1.00 0.00 H new ATOM 0 HE2 LYS A 36 12.411 10.032 -3.080 1.00 0.00 H new ATOM 0 HE3 LYS A 36 13.647 11.063 -2.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 14.151 10.490 -4.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 15.335 9.858 -3.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 14.149 8.836 -4.307 1.00 0.00 H new ATOM 566 N GLY A 37 10.932 5.555 2.681 1.00 0.00 N ATOM 567 CA GLY A 37 11.026 4.259 3.404 1.00 0.00 C ATOM 568 C GLY A 37 10.927 2.984 2.535 1.00 0.00 C ATOM 569 O GLY A 37 10.689 3.025 1.327 1.00 0.00 O ATOM 0 H GLY A 37 9.985 5.930 2.625 1.00 0.00 H new ATOM 0 HA2 GLY A 37 11.974 4.235 3.942 1.00 0.00 H new ATOM 0 HA3 GLY A 37 10.234 4.226 4.152 1.00 0.00 H new ATOM 573 N VAL A 38 11.114 1.829 3.185 1.00 0.00 N ATOM 574 CA VAL A 38 11.043 0.492 2.519 1.00 0.00 C ATOM 575 C VAL A 38 9.577 -0.072 2.545 1.00 0.00 C ATOM 576 O VAL A 38 8.857 0.035 3.545 1.00 0.00 O ATOM 577 CB VAL A 38 12.100 -0.479 3.164 1.00 0.00 C ATOM 578 CG1 VAL A 38 12.064 -1.921 2.603 1.00 0.00 C ATOM 579 CG2 VAL A 38 13.564 0.005 2.999 1.00 0.00 C ATOM 0 H VAL A 38 11.319 1.778 4.183 1.00 0.00 H new ATOM 0 HA VAL A 38 11.302 0.591 1.465 1.00 0.00 H new ATOM 0 HB VAL A 38 11.803 -0.476 4.213 1.00 0.00 H new ATOM 0 HG11 VAL A 38 12.823 -2.524 3.101 1.00 0.00 H new ATOM 0 HG12 VAL A 38 11.081 -2.356 2.781 1.00 0.00 H new ATOM 0 HG13 VAL A 38 12.263 -1.900 1.531 1.00 0.00 H new ATOM 0 HG21 VAL A 38 14.239 -0.712 3.467 1.00 0.00 H new ATOM 0 HG22 VAL A 38 13.802 0.089 1.939 1.00 0.00 H new ATOM 0 HG23 VAL A 38 13.681 0.978 3.475 1.00 0.00 H new ATOM 589 N SER A 39 9.165 -0.688 1.427 1.00 0.00 N ATOM 590 CA SER A 39 7.866 -1.393 1.295 1.00 0.00 C ATOM 591 C SER A 39 8.170 -2.836 0.801 1.00 0.00 C ATOM 592 O SER A 39 8.370 -3.104 -0.389 1.00 0.00 O ATOM 593 CB SER A 39 6.944 -0.660 0.310 1.00 0.00 C ATOM 594 OG SER A 39 6.439 0.560 0.847 1.00 0.00 O ATOM 0 H SER A 39 9.725 -0.715 0.575 1.00 0.00 H new ATOM 0 HA SER A 39 7.348 -1.420 2.254 1.00 0.00 H new ATOM 0 HB2 SER A 39 7.491 -0.451 -0.609 1.00 0.00 H new ATOM 0 HB3 SER A 39 6.110 -1.310 0.044 1.00 0.00 H new ATOM 0 HG SER A 39 5.617 0.810 0.375 1.00 0.00 H new ATOM 600 N GLU A 40 8.224 -3.768 1.748 1.00 0.00 N ATOM 601 CA GLU A 40 8.540 -5.193 1.472 1.00 0.00 C ATOM 602 C GLU A 40 7.315 -6.028 1.010 1.00 0.00 C ATOM 603 O GLU A 40 6.186 -5.789 1.447 1.00 0.00 O ATOM 604 CB GLU A 40 9.116 -5.773 2.786 1.00 0.00 C ATOM 605 CG GLU A 40 9.779 -7.171 2.712 1.00 0.00 C ATOM 606 CD GLU A 40 10.366 -7.619 4.037 1.00 0.00 C ATOM 607 OE1 GLU A 40 9.601 -7.860 4.997 1.00 0.00 O ATOM 608 OE2 GLU A 40 11.606 -7.721 4.128 1.00 0.00 O ATOM 0 H GLU A 40 8.052 -3.571 2.734 1.00 0.00 H new ATOM 0 HA GLU A 40 9.247 -5.246 0.644 1.00 0.00 H new ATOM 0 HB2 GLU A 40 9.854 -5.069 3.171 1.00 0.00 H new ATOM 0 HB3 GLU A 40 8.309 -5.820 3.517 1.00 0.00 H new ATOM 0 HG2 GLU A 40 9.039 -7.901 2.383 1.00 0.00 H new ATOM 0 HG3 GLU A 40 10.567 -7.154 1.959 1.00 0.00 H new ATOM 615 N ILE A 41 7.559 -7.027 0.150 1.00 0.00 N ATOM 616 CA ILE A 41 6.532 -8.036 -0.235 1.00 0.00 C ATOM 617 C ILE A 41 7.295 -9.398 -0.438 1.00 0.00 C ATOM 618 O ILE A 41 8.296 -9.457 -1.160 1.00 0.00 O ATOM 619 CB ILE A 41 5.689 -7.682 -1.519 1.00 0.00 C ATOM 620 CG1 ILE A 41 5.065 -6.258 -1.567 1.00 0.00 C ATOM 621 CG2 ILE A 41 4.564 -8.729 -1.760 1.00 0.00 C ATOM 622 CD1 ILE A 41 4.574 -5.835 -2.964 1.00 0.00 C ATOM 0 H ILE A 41 8.463 -7.168 -0.301 1.00 0.00 H new ATOM 0 HA ILE A 41 5.789 -8.078 0.562 1.00 0.00 H new ATOM 0 HB ILE A 41 6.434 -7.705 -2.314 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.227 -6.216 -0.871 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.805 -5.537 -1.219 1.00 0.00 H new ATOM 0 HG21 ILE A 41 4.000 -8.458 -2.652 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.008 -9.715 -1.897 1.00 0.00 H new ATOM 0 HG23 ILE A 41 3.895 -8.749 -0.900 1.00 0.00 H new ATOM 0 HD11 ILE A 41 4.153 -4.831 -2.913 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.411 -5.842 -3.662 1.00 0.00 H new ATOM 0 HD13 ILE A 41 3.810 -6.532 -3.308 1.00 0.00 H new ATOM 634 N VAL A 42 6.798 -10.496 0.162 1.00 0.00 N ATOM 635 CA VAL A 42 7.354 -11.872 -0.044 1.00 0.00 C ATOM 636 C VAL A 42 6.232 -12.699 -0.762 1.00 0.00 C ATOM 637 O VAL A 42 5.236 -13.073 -0.129 1.00 0.00 O ATOM 638 CB VAL A 42 7.823 -12.582 1.279 1.00 0.00 C ATOM 639 CG1 VAL A 42 8.676 -13.840 0.988 1.00 0.00 C ATOM 640 CG2 VAL A 42 8.616 -11.711 2.280 1.00 0.00 C ATOM 0 H VAL A 42 6.004 -10.469 0.802 1.00 0.00 H new ATOM 0 HA VAL A 42 8.262 -11.802 -0.643 1.00 0.00 H new ATOM 0 HB VAL A 42 6.873 -12.832 1.752 1.00 0.00 H new ATOM 0 HG11 VAL A 42 8.979 -14.300 1.929 1.00 0.00 H new ATOM 0 HG12 VAL A 42 8.088 -14.552 0.409 1.00 0.00 H new ATOM 0 HG13 VAL A 42 9.562 -13.555 0.421 1.00 0.00 H new ATOM 0 HG21 VAL A 42 8.884 -12.310 3.151 1.00 0.00 H new ATOM 0 HG22 VAL A 42 9.523 -11.341 1.801 1.00 0.00 H new ATOM 0 HG23 VAL A 42 8.002 -10.868 2.595 1.00 0.00 H new ATOM 650 N GLN A 43 6.388 -13.002 -2.065 1.00 0.00 N ATOM 651 CA GLN A 43 5.365 -13.757 -2.845 1.00 0.00 C ATOM 652 C GLN A 43 5.437 -15.302 -2.599 1.00 0.00 C ATOM 653 O GLN A 43 6.328 -15.982 -3.117 1.00 0.00 O ATOM 654 CB GLN A 43 5.545 -13.359 -4.338 1.00 0.00 C ATOM 655 CG GLN A 43 4.468 -13.927 -5.302 1.00 0.00 C ATOM 656 CD GLN A 43 4.549 -13.464 -6.767 1.00 0.00 C ATOM 657 OE1 GLN A 43 5.512 -12.863 -7.234 1.00 0.00 O ATOM 658 NE2 GLN A 43 3.527 -13.750 -7.537 1.00 0.00 N ATOM 0 H GLN A 43 7.210 -12.739 -2.608 1.00 0.00 H new ATOM 0 HA GLN A 43 4.361 -13.491 -2.514 1.00 0.00 H new ATOM 0 HB2 GLN A 43 5.540 -12.272 -4.412 1.00 0.00 H new ATOM 0 HB3 GLN A 43 6.526 -13.697 -4.673 1.00 0.00 H new ATOM 0 HG2 GLN A 43 4.532 -15.015 -5.283 1.00 0.00 H new ATOM 0 HG3 GLN A 43 3.486 -13.659 -4.913 1.00 0.00 H new ATOM 0 HE21 GLN A 43 2.724 -14.249 -7.154 1.00 0.00 H new ATOM 0 HE22 GLN A 43 3.535 -13.473 -8.519 1.00 0.00 H new ATOM 667 N ASN A 44 4.480 -15.854 -1.831 1.00 0.00 N ATOM 668 CA ASN A 44 4.408 -17.320 -1.538 1.00 0.00 C ATOM 669 C ASN A 44 3.119 -17.932 -2.193 1.00 0.00 C ATOM 670 O ASN A 44 2.191 -18.369 -1.500 1.00 0.00 O ATOM 671 CB ASN A 44 4.460 -17.550 0.003 1.00 0.00 C ATOM 672 CG ASN A 44 5.711 -17.081 0.753 1.00 0.00 C ATOM 673 OD1 ASN A 44 6.687 -17.803 0.912 1.00 0.00 O ATOM 674 ND2 ASN A 44 5.720 -15.872 1.261 1.00 0.00 N ATOM 0 H ASN A 44 3.735 -15.312 -1.393 1.00 0.00 H new ATOM 0 HA ASN A 44 5.266 -17.833 -1.974 1.00 0.00 H new ATOM 0 HB2 ASN A 44 3.598 -17.051 0.445 1.00 0.00 H new ATOM 0 HB3 ASN A 44 4.340 -18.618 0.187 1.00 0.00 H new ATOM 0 HD21 ASN A 44 6.534 -15.543 1.781 1.00 0.00 H new ATOM 0 HD22 ASN A 44 4.913 -15.260 1.136 1.00 0.00 H new ATOM 681 N GLY A 45 3.054 -17.957 -3.543 1.00 0.00 N ATOM 682 CA GLY A 45 1.856 -18.439 -4.294 1.00 0.00 C ATOM 683 C GLY A 45 0.617 -17.528 -4.132 1.00 0.00 C ATOM 684 O GLY A 45 0.483 -16.517 -4.823 1.00 0.00 O ATOM 0 H GLY A 45 3.818 -17.649 -4.144 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.106 -18.513 -5.352 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.605 -19.444 -3.955 1.00 0.00 H new ATOM 688 N LYS A 46 -0.274 -17.903 -3.204 1.00 0.00 N ATOM 689 CA LYS A 46 -1.423 -17.050 -2.787 1.00 0.00 C ATOM 690 C LYS A 46 -1.068 -16.045 -1.630 1.00 0.00 C ATOM 691 O LYS A 46 -1.621 -14.945 -1.624 1.00 0.00 O ATOM 692 CB LYS A 46 -2.615 -17.959 -2.363 1.00 0.00 C ATOM 693 CG LYS A 46 -3.310 -18.756 -3.496 1.00 0.00 C ATOM 694 CD LYS A 46 -4.388 -19.759 -3.001 1.00 0.00 C ATOM 695 CE LYS A 46 -5.872 -19.355 -3.156 1.00 0.00 C ATOM 696 NZ LYS A 46 -6.250 -18.221 -2.273 1.00 0.00 N ATOM 0 H LYS A 46 -0.230 -18.798 -2.717 1.00 0.00 H new ATOM 0 HA LYS A 46 -1.696 -16.439 -3.647 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.256 -18.668 -1.617 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -3.364 -17.335 -1.875 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -3.774 -18.053 -4.187 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -2.552 -19.302 -4.058 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -4.240 -20.699 -3.532 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -4.203 -19.956 -1.945 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -6.064 -19.083 -4.194 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -6.504 -20.214 -2.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -7.191 -18.397 -1.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -5.553 -18.130 -1.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -6.272 -17.341 -2.828 1.00 0.00 H new ATOM 710 N HIS A 47 -0.197 -16.401 -0.658 1.00 0.00 N ATOM 711 CA HIS A 47 0.131 -15.542 0.516 1.00 0.00 C ATOM 712 C HIS A 47 1.295 -14.544 0.228 1.00 0.00 C ATOM 713 O HIS A 47 2.455 -14.926 0.046 1.00 0.00 O ATOM 714 CB HIS A 47 0.464 -16.451 1.734 1.00 0.00 C ATOM 715 CG HIS A 47 -0.743 -17.147 2.360 1.00 0.00 C ATOM 716 ND1 HIS A 47 -1.182 -18.409 2.015 1.00 0.00 N ATOM 717 CD2 HIS A 47 -1.607 -16.584 3.313 1.00 0.00 C ATOM 718 CE1 HIS A 47 -2.299 -18.498 2.802 1.00 0.00 C ATOM 719 NE2 HIS A 47 -2.660 -17.444 3.601 1.00 0.00 N ATOM 0 H HIS A 47 0.301 -17.291 -0.660 1.00 0.00 H new ATOM 0 HA HIS A 47 -0.742 -14.928 0.739 1.00 0.00 H new ATOM 0 HB2 HIS A 47 1.181 -17.210 1.419 1.00 0.00 H new ATOM 0 HB3 HIS A 47 0.954 -15.847 2.497 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -1.471 -15.611 3.763 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -2.895 -19.398 2.793 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -3.461 -17.326 4.221 1.00 0.00 H new ATOM 727 N PHE A 48 0.971 -13.248 0.218 1.00 0.00 N ATOM 728 CA PHE A 48 1.941 -12.155 -0.046 1.00 0.00 C ATOM 729 C PHE A 48 2.247 -11.450 1.311 1.00 0.00 C ATOM 730 O PHE A 48 1.436 -10.661 1.810 1.00 0.00 O ATOM 731 CB PHE A 48 1.313 -11.194 -1.089 1.00 0.00 C ATOM 732 CG PHE A 48 1.325 -11.591 -2.584 1.00 0.00 C ATOM 733 CD1 PHE A 48 0.766 -12.790 -3.048 1.00 0.00 C ATOM 734 CD2 PHE A 48 1.790 -10.660 -3.517 1.00 0.00 C ATOM 735 CE1 PHE A 48 0.696 -13.056 -4.414 1.00 0.00 C ATOM 736 CE2 PHE A 48 1.705 -10.920 -4.879 1.00 0.00 C ATOM 737 CZ PHE A 48 1.159 -12.114 -5.328 1.00 0.00 C ATOM 0 H PHE A 48 0.023 -12.914 0.393 1.00 0.00 H new ATOM 0 HA PHE A 48 2.882 -12.521 -0.456 1.00 0.00 H new ATOM 0 HB2 PHE A 48 0.274 -11.031 -0.801 1.00 0.00 H new ATOM 0 HB3 PHE A 48 1.823 -10.235 -1.000 1.00 0.00 H new ATOM 0 HD1 PHE A 48 0.387 -13.513 -2.341 1.00 0.00 H new ATOM 0 HD2 PHE A 48 2.219 -9.730 -3.176 1.00 0.00 H new ATOM 0 HE1 PHE A 48 0.283 -13.991 -4.763 1.00 0.00 H new ATOM 0 HE2 PHE A 48 2.065 -10.191 -5.590 1.00 0.00 H new ATOM 0 HZ PHE A 48 1.093 -12.313 -6.388 1.00 0.00 H new ATOM 747 N LYS A 49 3.413 -11.744 1.913 1.00 0.00 N ATOM 748 CA LYS A 49 3.792 -11.192 3.249 1.00 0.00 C ATOM 749 C LYS A 49 4.467 -9.808 3.109 1.00 0.00 C ATOM 750 O LYS A 49 5.571 -9.714 2.566 1.00 0.00 O ATOM 751 CB LYS A 49 4.721 -12.169 4.016 1.00 0.00 C ATOM 752 CG LYS A 49 4.082 -13.526 4.360 1.00 0.00 C ATOM 753 CD LYS A 49 5.089 -14.548 4.930 1.00 0.00 C ATOM 754 CE LYS A 49 4.631 -16.017 4.854 1.00 0.00 C ATOM 755 NZ LYS A 49 3.448 -16.295 5.719 1.00 0.00 N ATOM 0 H LYS A 49 4.117 -12.359 1.505 1.00 0.00 H new ATOM 0 HA LYS A 49 2.874 -11.070 3.824 1.00 0.00 H new ATOM 0 HB2 LYS A 49 5.615 -12.345 3.417 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.045 -11.691 4.940 1.00 0.00 H new ATOM 0 HG2 LYS A 49 3.283 -13.370 5.085 1.00 0.00 H new ATOM 0 HG3 LYS A 49 3.622 -13.941 3.463 1.00 0.00 H new ATOM 0 HD2 LYS A 49 6.031 -14.448 4.392 1.00 0.00 H new ATOM 0 HD3 LYS A 49 5.289 -14.298 5.972 1.00 0.00 H new ATOM 0 HE2 LYS A 49 4.387 -16.265 3.821 1.00 0.00 H new ATOM 0 HE3 LYS A 49 5.454 -16.666 5.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 3.514 -17.262 6.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 3.427 -15.616 6.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 2.578 -16.201 5.158 1.00 0.00 H new ATOM 769 N PHE A 50 3.810 -8.748 3.601 1.00 0.00 N ATOM 770 CA PHE A 50 4.347 -7.364 3.495 1.00 0.00 C ATOM 771 C PHE A 50 4.940 -6.769 4.806 1.00 0.00 C ATOM 772 O PHE A 50 4.487 -7.070 5.915 1.00 0.00 O ATOM 773 CB PHE A 50 3.341 -6.429 2.750 1.00 0.00 C ATOM 774 CG PHE A 50 2.014 -5.895 3.354 1.00 0.00 C ATOM 775 CD1 PHE A 50 1.888 -5.417 4.666 1.00 0.00 C ATOM 776 CD2 PHE A 50 0.955 -5.684 2.466 1.00 0.00 C ATOM 777 CE1 PHE A 50 0.728 -4.769 5.081 1.00 0.00 C ATOM 778 CE2 PHE A 50 -0.211 -5.048 2.880 1.00 0.00 C ATOM 779 CZ PHE A 50 -0.323 -4.590 4.189 1.00 0.00 C ATOM 0 H PHE A 50 2.909 -8.811 4.076 1.00 0.00 H new ATOM 0 HA PHE A 50 5.238 -7.436 2.872 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.912 -5.549 2.454 1.00 0.00 H new ATOM 0 HB3 PHE A 50 3.065 -6.953 1.835 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.701 -5.553 5.363 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.043 -6.020 1.443 1.00 0.00 H new ATOM 0 HE1 PHE A 50 0.645 -4.406 6.095 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.028 -4.910 2.187 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.227 -4.095 4.512 1.00 0.00 H new ATOM 789 N THR A 51 5.933 -5.878 4.644 1.00 0.00 N ATOM 790 CA THR A 51 6.501 -5.069 5.769 1.00 0.00 C ATOM 791 C THR A 51 6.520 -3.598 5.232 1.00 0.00 C ATOM 792 O THR A 51 7.458 -3.193 4.535 1.00 0.00 O ATOM 793 CB THR A 51 7.888 -5.595 6.264 1.00 0.00 C ATOM 794 OG1 THR A 51 7.897 -7.011 6.445 1.00 0.00 O ATOM 795 CG2 THR A 51 8.358 -4.982 7.584 1.00 0.00 C ATOM 0 H THR A 51 6.371 -5.689 3.742 1.00 0.00 H new ATOM 0 HA THR A 51 5.897 -5.142 6.673 1.00 0.00 H new ATOM 0 HB THR A 51 8.567 -5.293 5.467 1.00 0.00 H new ATOM 0 HG1 THR A 51 8.727 -7.382 6.079 1.00 0.00 H new ATOM 0 HG21 THR A 51 9.327 -5.401 7.855 1.00 0.00 H new ATOM 0 HG22 THR A 51 8.448 -3.902 7.472 1.00 0.00 H new ATOM 0 HG23 THR A 51 7.634 -5.206 8.367 1.00 0.00 H new ATOM 803 N ILE A 52 5.466 -2.805 5.517 1.00 0.00 N ATOM 804 CA ILE A 52 5.274 -1.452 4.903 1.00 0.00 C ATOM 805 C ILE A 52 5.623 -0.305 5.899 1.00 0.00 C ATOM 806 O ILE A 52 5.160 -0.265 7.040 1.00 0.00 O ATOM 807 CB ILE A 52 3.819 -1.311 4.315 1.00 0.00 C ATOM 808 CG1 ILE A 52 3.403 -2.422 3.304 1.00 0.00 C ATOM 809 CG2 ILE A 52 3.519 0.070 3.671 1.00 0.00 C ATOM 810 CD1 ILE A 52 4.289 -2.608 2.061 1.00 0.00 C ATOM 0 H ILE A 52 4.727 -3.069 6.169 1.00 0.00 H new ATOM 0 HA ILE A 52 5.975 -1.357 4.074 1.00 0.00 H new ATOM 0 HB ILE A 52 3.215 -1.424 5.215 1.00 0.00 H new ATOM 0 HG12 ILE A 52 3.369 -3.371 3.840 1.00 0.00 H new ATOM 0 HG13 ILE A 52 2.388 -2.210 2.967 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.497 0.081 3.292 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.637 0.854 4.419 1.00 0.00 H new ATOM 0 HG23 ILE A 52 4.213 0.246 2.849 1.00 0.00 H new ATOM 0 HD11 ILE A 52 3.886 -3.411 1.444 1.00 0.00 H new ATOM 0 HD12 ILE A 52 4.307 -1.683 1.485 1.00 0.00 H new ATOM 0 HD13 ILE A 52 5.303 -2.862 2.371 1.00 0.00 H new ATOM 822 N THR A 53 6.389 0.681 5.415 1.00 0.00 N ATOM 823 CA THR A 53 6.766 1.887 6.198 1.00 0.00 C ATOM 824 C THR A 53 5.755 3.051 5.940 1.00 0.00 C ATOM 825 O THR A 53 5.696 3.662 4.863 1.00 0.00 O ATOM 826 CB THR A 53 8.231 2.331 5.905 1.00 0.00 C ATOM 827 OG1 THR A 53 8.470 2.418 4.506 1.00 0.00 O ATOM 828 CG2 THR A 53 9.306 1.411 6.504 1.00 0.00 C ATOM 0 H THR A 53 6.770 0.674 4.469 1.00 0.00 H new ATOM 0 HA THR A 53 6.718 1.625 7.255 1.00 0.00 H new ATOM 0 HB THR A 53 8.317 3.305 6.386 1.00 0.00 H new ATOM 0 HG1 THR A 53 8.834 1.567 4.183 1.00 0.00 H new ATOM 0 HG21 THR A 53 10.295 1.794 6.252 1.00 0.00 H new ATOM 0 HG22 THR A 53 9.195 1.379 7.588 1.00 0.00 H new ATOM 0 HG23 THR A 53 9.192 0.406 6.098 1.00 0.00 H new ATOM 836 N ALA A 54 4.952 3.349 6.970 1.00 0.00 N ATOM 837 CA ALA A 54 4.033 4.517 6.990 1.00 0.00 C ATOM 838 C ALA A 54 4.702 5.705 7.751 1.00 0.00 C ATOM 839 O ALA A 54 4.319 6.069 8.868 1.00 0.00 O ATOM 840 CB ALA A 54 2.727 4.002 7.625 1.00 0.00 C ATOM 0 H ALA A 54 4.914 2.789 7.822 1.00 0.00 H new ATOM 0 HA ALA A 54 3.811 4.918 6.001 1.00 0.00 H new ATOM 0 HB1 ALA A 54 2.001 4.813 7.672 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.324 3.189 7.021 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.931 3.639 8.632 1.00 0.00 H new ATOM 846 N GLY A 55 5.736 6.296 7.119 1.00 0.00 N ATOM 847 CA GLY A 55 6.575 7.345 7.750 1.00 0.00 C ATOM 848 C GLY A 55 7.510 6.785 8.845 1.00 0.00 C ATOM 849 O GLY A 55 8.601 6.294 8.549 1.00 0.00 O ATOM 0 H GLY A 55 6.015 6.065 6.165 1.00 0.00 H new ATOM 0 HA2 GLY A 55 7.174 7.835 6.983 1.00 0.00 H new ATOM 0 HA3 GLY A 55 5.929 8.108 8.185 1.00 0.00 H new ATOM 853 N SER A 56 7.041 6.848 10.097 1.00 0.00 N ATOM 854 CA SER A 56 7.738 6.237 11.267 1.00 0.00 C ATOM 855 C SER A 56 7.245 4.788 11.625 1.00 0.00 C ATOM 856 O SER A 56 8.056 3.978 12.081 1.00 0.00 O ATOM 857 CB SER A 56 7.596 7.152 12.510 1.00 0.00 C ATOM 858 OG SER A 56 8.061 8.486 12.280 1.00 0.00 O ATOM 0 H SER A 56 6.170 7.320 10.342 1.00 0.00 H new ATOM 0 HA SER A 56 8.783 6.144 10.972 1.00 0.00 H new ATOM 0 HB2 SER A 56 6.549 7.185 12.812 1.00 0.00 H new ATOM 0 HB3 SER A 56 8.153 6.717 13.340 1.00 0.00 H new ATOM 0 HG SER A 56 7.816 9.054 13.040 1.00 0.00 H new ATOM 864 N LYS A 57 5.942 4.452 11.462 1.00 0.00 N ATOM 865 CA LYS A 57 5.395 3.119 11.838 1.00 0.00 C ATOM 866 C LYS A 57 5.643 2.007 10.765 1.00 0.00 C ATOM 867 O LYS A 57 5.344 2.171 9.578 1.00 0.00 O ATOM 868 CB LYS A 57 3.873 3.272 12.142 1.00 0.00 C ATOM 869 CG LYS A 57 3.245 2.039 12.847 1.00 0.00 C ATOM 870 CD LYS A 57 1.708 2.086 12.961 1.00 0.00 C ATOM 871 CE LYS A 57 1.164 0.821 13.657 1.00 0.00 C ATOM 872 NZ LYS A 57 -0.319 0.798 13.616 1.00 0.00 N ATOM 0 H LYS A 57 5.246 5.087 11.071 1.00 0.00 H new ATOM 0 HA LYS A 57 5.932 2.782 12.725 1.00 0.00 H new ATOM 0 HB2 LYS A 57 3.724 4.151 12.769 1.00 0.00 H new ATOM 0 HB3 LYS A 57 3.342 3.453 11.207 1.00 0.00 H new ATOM 0 HG2 LYS A 57 3.530 1.139 12.301 1.00 0.00 H new ATOM 0 HG3 LYS A 57 3.669 1.952 13.847 1.00 0.00 H new ATOM 0 HD2 LYS A 57 1.409 2.971 13.523 1.00 0.00 H new ATOM 0 HD3 LYS A 57 1.269 2.175 11.967 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.560 -0.069 13.168 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.505 0.794 14.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -0.663 -0.099 14.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -0.694 1.591 14.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -0.640 0.887 12.631 1.00 0.00 H new ATOM 886 N VAL A 58 6.122 0.840 11.228 1.00 0.00 N ATOM 887 CA VAL A 58 6.308 -0.367 10.369 1.00 0.00 C ATOM 888 C VAL A 58 4.997 -1.225 10.488 1.00 0.00 C ATOM 889 O VAL A 58 4.736 -1.847 11.523 1.00 0.00 O ATOM 890 CB VAL A 58 7.612 -1.140 10.770 1.00 0.00 C ATOM 891 CG1 VAL A 58 7.836 -2.397 9.902 1.00 0.00 C ATOM 892 CG2 VAL A 58 8.907 -0.296 10.664 1.00 0.00 C ATOM 0 H VAL A 58 6.393 0.695 12.201 1.00 0.00 H new ATOM 0 HA VAL A 58 6.455 -0.101 9.322 1.00 0.00 H new ATOM 0 HB VAL A 58 7.436 -1.403 11.813 1.00 0.00 H new ATOM 0 HG11 VAL A 58 8.751 -2.899 10.217 1.00 0.00 H new ATOM 0 HG12 VAL A 58 6.991 -3.076 10.020 1.00 0.00 H new ATOM 0 HG13 VAL A 58 7.924 -2.105 8.855 1.00 0.00 H new ATOM 0 HG21 VAL A 58 9.763 -0.904 10.959 1.00 0.00 H new ATOM 0 HG22 VAL A 58 9.038 0.041 9.636 1.00 0.00 H new ATOM 0 HG23 VAL A 58 8.832 0.569 11.323 1.00 0.00 H new ATOM 902 N ILE A 59 4.176 -1.238 9.426 1.00 0.00 N ATOM 903 CA ILE A 59 2.880 -1.981 9.384 1.00 0.00 C ATOM 904 C ILE A 59 3.138 -3.316 8.613 1.00 0.00 C ATOM 905 O ILE A 59 3.236 -3.329 7.380 1.00 0.00 O ATOM 906 CB ILE A 59 1.740 -1.097 8.752 1.00 0.00 C ATOM 907 CG1 ILE A 59 1.499 0.238 9.522 1.00 0.00 C ATOM 908 CG2 ILE A 59 0.397 -1.873 8.650 1.00 0.00 C ATOM 909 CD1 ILE A 59 0.581 1.254 8.822 1.00 0.00 C ATOM 0 H ILE A 59 4.382 -0.735 8.563 1.00 0.00 H new ATOM 0 HA ILE A 59 2.523 -2.217 10.386 1.00 0.00 H new ATOM 0 HB ILE A 59 2.095 -0.850 7.752 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.073 0.002 10.497 1.00 0.00 H new ATOM 0 HG13 ILE A 59 2.464 0.712 9.702 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -0.363 -1.228 8.209 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.533 -2.755 8.024 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.078 -2.181 9.646 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.482 2.144 9.444 1.00 0.00 H new ATOM 0 HD12 ILE A 59 1.011 1.530 7.859 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.402 0.809 8.666 1.00 0.00 H new ATOM 921 N GLN A 60 3.235 -4.436 9.348 1.00 0.00 N ATOM 922 CA GLN A 60 3.495 -5.776 8.759 1.00 0.00 C ATOM 923 C GLN A 60 2.260 -6.723 8.894 1.00 0.00 C ATOM 924 O GLN A 60 1.784 -7.042 9.987 1.00 0.00 O ATOM 925 CB GLN A 60 4.837 -6.358 9.280 1.00 0.00 C ATOM 926 CG GLN A 60 4.969 -6.775 10.766 1.00 0.00 C ATOM 927 CD GLN A 60 4.978 -5.625 11.783 1.00 0.00 C ATOM 928 OE1 GLN A 60 3.943 -5.142 12.229 1.00 0.00 O ATOM 929 NE2 GLN A 60 6.128 -5.118 12.156 1.00 0.00 N ATOM 0 H GLN A 60 3.137 -4.447 10.363 1.00 0.00 H new ATOM 0 HA GLN A 60 3.628 -5.671 7.682 1.00 0.00 H new ATOM 0 HB2 GLN A 60 5.068 -7.234 8.674 1.00 0.00 H new ATOM 0 HB3 GLN A 60 5.612 -5.618 9.080 1.00 0.00 H new ATOM 0 HG2 GLN A 60 4.145 -7.445 11.011 1.00 0.00 H new ATOM 0 HG3 GLN A 60 5.890 -7.346 10.883 1.00 0.00 H new ATOM 0 HE21 GLN A 60 6.998 -5.508 11.795 1.00 0.00 H new ATOM 0 HE22 GLN A 60 6.152 -4.334 12.808 1.00 0.00 H new ATOM 938 N ASN A 61 1.738 -7.135 7.736 1.00 0.00 N ATOM 939 CA ASN A 61 0.557 -8.042 7.603 1.00 0.00 C ATOM 940 C ASN A 61 0.723 -8.886 6.285 1.00 0.00 C ATOM 941 O ASN A 61 1.538 -8.559 5.413 1.00 0.00 O ATOM 942 CB ASN A 61 -0.779 -7.236 7.577 1.00 0.00 C ATOM 943 CG ASN A 61 -1.263 -6.608 8.889 1.00 0.00 C ATOM 944 OD1 ASN A 61 -1.934 -7.232 9.704 1.00 0.00 O ATOM 945 ND2 ASN A 61 -0.984 -5.348 9.118 1.00 0.00 N ATOM 0 H ASN A 61 2.121 -6.850 6.835 1.00 0.00 H new ATOM 0 HA ASN A 61 0.513 -8.705 8.467 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -0.674 -6.437 6.843 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -1.564 -7.900 7.215 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -1.324 -4.896 9.967 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -0.427 -4.819 8.447 1.00 0.00 H new ATOM 952 N GLU A 62 -0.045 -9.981 6.115 1.00 0.00 N ATOM 953 CA GLU A 62 0.018 -10.820 4.881 1.00 0.00 C ATOM 954 C GLU A 62 -1.357 -10.947 4.165 1.00 0.00 C ATOM 955 O GLU A 62 -2.373 -11.267 4.792 1.00 0.00 O ATOM 956 CB GLU A 62 0.730 -12.167 5.153 1.00 0.00 C ATOM 957 CG GLU A 62 0.003 -13.299 5.921 1.00 0.00 C ATOM 958 CD GLU A 62 0.878 -14.537 6.047 1.00 0.00 C ATOM 959 OE1 GLU A 62 1.090 -15.247 5.038 1.00 0.00 O ATOM 960 OE2 GLU A 62 1.444 -14.780 7.131 1.00 0.00 O ATOM 0 H GLU A 62 -0.716 -10.312 6.808 1.00 0.00 H new ATOM 0 HA GLU A 62 0.642 -10.298 4.156 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.029 -12.574 4.187 1.00 0.00 H new ATOM 0 HB3 GLU A 62 1.645 -11.942 5.701 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.275 -12.946 6.914 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -0.921 -13.556 5.403 1.00 0.00 H new ATOM 967 N PHE A 63 -1.379 -10.689 2.843 1.00 0.00 N ATOM 968 CA PHE A 63 -2.614 -10.801 2.022 1.00 0.00 C ATOM 969 C PHE A 63 -2.667 -12.099 1.172 1.00 0.00 C ATOM 970 O PHE A 63 -1.719 -12.474 0.477 1.00 0.00 O ATOM 971 CB PHE A 63 -2.934 -9.525 1.209 1.00 0.00 C ATOM 972 CG PHE A 63 -1.950 -9.074 0.117 1.00 0.00 C ATOM 973 CD1 PHE A 63 -0.908 -8.192 0.418 1.00 0.00 C ATOM 974 CD2 PHE A 63 -2.116 -9.517 -1.200 1.00 0.00 C ATOM 975 CE1 PHE A 63 -0.050 -7.753 -0.588 1.00 0.00 C ATOM 976 CE2 PHE A 63 -1.273 -9.056 -2.207 1.00 0.00 C ATOM 977 CZ PHE A 63 -0.241 -8.174 -1.898 1.00 0.00 C ATOM 0 H PHE A 63 -0.556 -10.400 2.314 1.00 0.00 H new ATOM 0 HA PHE A 63 -3.428 -10.890 2.742 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -3.906 -9.670 0.737 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -3.042 -8.702 1.916 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -0.768 -7.850 1.433 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -2.902 -10.220 -1.436 1.00 0.00 H new ATOM 0 HE1 PHE A 63 0.764 -7.085 -0.349 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -1.419 -9.382 -3.226 1.00 0.00 H new ATOM 0 HZ PHE A 63 0.413 -7.816 -2.679 1.00 0.00 H new ATOM 987 N THR A 64 -3.831 -12.750 1.214 1.00 0.00 N ATOM 988 CA THR A 64 -4.095 -14.008 0.478 1.00 0.00 C ATOM 989 C THR A 64 -4.854 -13.650 -0.838 1.00 0.00 C ATOM 990 O THR A 64 -5.976 -13.137 -0.812 1.00 0.00 O ATOM 991 CB THR A 64 -4.878 -14.998 1.397 1.00 0.00 C ATOM 992 OG1 THR A 64 -4.279 -15.112 2.685 1.00 0.00 O ATOM 993 CG2 THR A 64 -4.949 -16.424 0.836 1.00 0.00 C ATOM 0 H THR A 64 -4.628 -12.425 1.761 1.00 0.00 H new ATOM 0 HA THR A 64 -3.171 -14.516 0.201 1.00 0.00 H new ATOM 0 HB THR A 64 -5.878 -14.569 1.455 1.00 0.00 H new ATOM 0 HG1 THR A 64 -4.797 -15.739 3.232 1.00 0.00 H new ATOM 0 HG21 THR A 64 -5.507 -17.059 1.525 1.00 0.00 H new ATOM 0 HG22 THR A 64 -5.451 -16.410 -0.132 1.00 0.00 H new ATOM 0 HG23 THR A 64 -3.940 -16.818 0.716 1.00 0.00 H new ATOM 1001 N VAL A 65 -4.249 -13.925 -2.005 1.00 0.00 N ATOM 1002 CA VAL A 65 -4.882 -13.647 -3.334 1.00 0.00 C ATOM 1003 C VAL A 65 -5.981 -14.730 -3.599 1.00 0.00 C ATOM 1004 O VAL A 65 -5.681 -15.929 -3.665 1.00 0.00 O ATOM 1005 CB VAL A 65 -3.787 -13.571 -4.451 1.00 0.00 C ATOM 1006 CG1 VAL A 65 -4.307 -13.472 -5.905 1.00 0.00 C ATOM 1007 CG2 VAL A 65 -2.805 -12.389 -4.259 1.00 0.00 C ATOM 0 H VAL A 65 -3.320 -14.341 -2.070 1.00 0.00 H new ATOM 0 HA VAL A 65 -5.374 -12.675 -3.339 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.291 -14.533 -4.324 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -3.462 -13.425 -6.591 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -4.913 -14.348 -6.135 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -4.913 -12.573 -6.014 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -2.071 -12.391 -5.065 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -3.358 -11.450 -4.275 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -2.294 -12.493 -3.302 1.00 0.00 H new ATOM 1017 N GLY A 66 -7.251 -14.310 -3.712 1.00 0.00 N ATOM 1018 CA GLY A 66 -8.395 -15.257 -3.876 1.00 0.00 C ATOM 1019 C GLY A 66 -9.155 -15.751 -2.614 1.00 0.00 C ATOM 1020 O GLY A 66 -10.220 -16.340 -2.786 1.00 0.00 O ATOM 0 H GLY A 66 -7.524 -13.327 -3.694 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -9.123 -14.781 -4.533 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -8.021 -16.137 -4.399 1.00 0.00 H new ATOM 1024 N GLU A 67 -8.629 -15.557 -1.389 1.00 0.00 N ATOM 1025 CA GLU A 67 -9.355 -15.867 -0.117 1.00 0.00 C ATOM 1026 C GLU A 67 -9.185 -14.704 0.924 1.00 0.00 C ATOM 1027 O GLU A 67 -8.211 -13.947 0.883 1.00 0.00 O ATOM 1028 CB GLU A 67 -8.871 -17.231 0.462 1.00 0.00 C ATOM 1029 CG GLU A 67 -9.469 -18.497 -0.209 1.00 0.00 C ATOM 1030 CD GLU A 67 -10.942 -18.802 0.051 1.00 0.00 C ATOM 1031 OE1 GLU A 67 -11.643 -18.031 0.742 1.00 0.00 O ATOM 1032 OE2 GLU A 67 -11.396 -19.848 -0.455 1.00 0.00 O ATOM 0 H GLU A 67 -7.692 -15.182 -1.241 1.00 0.00 H new ATOM 0 HA GLU A 67 -10.420 -15.953 -0.335 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -7.785 -17.276 0.378 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -9.109 -17.259 1.525 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -9.329 -18.405 -1.286 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -8.885 -19.358 0.116 1.00 0.00 H new ATOM 1039 N GLU A 68 -10.135 -14.557 1.870 1.00 0.00 N ATOM 1040 CA GLU A 68 -10.144 -13.443 2.869 1.00 0.00 C ATOM 1041 C GLU A 68 -8.824 -13.163 3.677 1.00 0.00 C ATOM 1042 O GLU A 68 -8.195 -14.075 4.223 1.00 0.00 O ATOM 1043 CB GLU A 68 -11.380 -13.563 3.802 1.00 0.00 C ATOM 1044 CG GLU A 68 -11.424 -14.793 4.749 1.00 0.00 C ATOM 1045 CD GLU A 68 -11.909 -14.519 6.165 1.00 0.00 C ATOM 1046 OE1 GLU A 68 -13.063 -14.088 6.361 1.00 0.00 O ATOM 1047 OE2 GLU A 68 -11.115 -14.684 7.115 1.00 0.00 O ATOM 0 H GLU A 68 -10.920 -15.200 1.972 1.00 0.00 H new ATOM 0 HA GLU A 68 -10.213 -12.549 2.249 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -11.434 -12.662 4.413 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -12.275 -13.581 3.180 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -12.071 -15.549 4.303 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -10.423 -15.222 4.804 1.00 0.00 H new ATOM 1054 N CYS A 69 -8.419 -11.879 3.743 1.00 0.00 N ATOM 1055 CA CYS A 69 -7.191 -11.451 4.463 1.00 0.00 C ATOM 1056 C CYS A 69 -7.348 -10.063 5.148 1.00 0.00 C ATOM 1057 O CYS A 69 -7.643 -9.043 4.515 1.00 0.00 O ATOM 1058 CB CYS A 69 -5.975 -11.463 3.524 1.00 0.00 C ATOM 1059 SG CYS A 69 -6.328 -10.695 1.902 1.00 0.00 S ATOM 0 H CYS A 69 -8.926 -11.110 3.304 1.00 0.00 H new ATOM 0 HA CYS A 69 -7.026 -12.176 5.260 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -5.149 -10.934 3.999 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -5.649 -12.492 3.371 1.00 0.00 H new ATOM 0 HG CYS A 69 -7.000 -9.596 2.079 1.00 0.00 H new ATOM 1065 N GLU A 70 -7.097 -10.057 6.462 1.00 0.00 N ATOM 1066 CA GLU A 70 -7.207 -8.854 7.330 1.00 0.00 C ATOM 1067 C GLU A 70 -5.929 -7.952 7.331 1.00 0.00 C ATOM 1068 O GLU A 70 -4.848 -8.372 7.755 1.00 0.00 O ATOM 1069 CB GLU A 70 -7.706 -9.254 8.744 1.00 0.00 C ATOM 1070 CG GLU A 70 -6.885 -10.327 9.490 1.00 0.00 C ATOM 1071 CD GLU A 70 -7.331 -10.587 10.915 1.00 0.00 C ATOM 1072 OE1 GLU A 70 -8.468 -11.065 11.113 1.00 0.00 O ATOM 1073 OE2 GLU A 70 -6.534 -10.317 11.840 1.00 0.00 O ATOM 0 H GLU A 70 -6.807 -10.893 6.970 1.00 0.00 H new ATOM 0 HA GLU A 70 -7.964 -8.203 6.894 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -7.734 -8.356 9.362 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -8.732 -9.611 8.655 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -6.939 -11.261 8.930 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -5.839 -10.022 9.501 1.00 0.00 H new ATOM 1080 N LEU A 71 -6.074 -6.695 6.875 1.00 0.00 N ATOM 1081 CA LEU A 71 -4.955 -5.710 6.799 1.00 0.00 C ATOM 1082 C LEU A 71 -5.302 -4.409 7.593 1.00 0.00 C ATOM 1083 O LEU A 71 -6.424 -3.899 7.513 1.00 0.00 O ATOM 1084 CB LEU A 71 -4.658 -5.350 5.312 1.00 0.00 C ATOM 1085 CG LEU A 71 -4.285 -6.487 4.320 1.00 0.00 C ATOM 1086 CD1 LEU A 71 -4.016 -5.881 2.934 1.00 0.00 C ATOM 1087 CD2 LEU A 71 -3.065 -7.312 4.760 1.00 0.00 C ATOM 0 H LEU A 71 -6.965 -6.324 6.547 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.072 -6.166 7.246 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -5.537 -4.842 4.915 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.842 -4.627 5.305 1.00 0.00 H new ATOM 0 HG LEU A 71 -5.132 -7.172 4.294 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.754 -6.675 2.234 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -4.911 -5.368 2.582 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.192 -5.170 3.001 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.863 -8.087 4.020 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.197 -6.659 4.848 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.269 -7.776 5.725 1.00 0.00 H new ATOM 1099 N GLU A 72 -4.337 -3.840 8.341 1.00 0.00 N ATOM 1100 CA GLU A 72 -4.545 -2.559 9.084 1.00 0.00 C ATOM 1101 C GLU A 72 -4.718 -1.322 8.133 1.00 0.00 C ATOM 1102 O GLU A 72 -4.022 -1.147 7.129 1.00 0.00 O ATOM 1103 CB GLU A 72 -3.341 -2.380 10.050 1.00 0.00 C ATOM 1104 CG GLU A 72 -3.499 -1.236 11.087 1.00 0.00 C ATOM 1105 CD GLU A 72 -2.237 -0.890 11.851 1.00 0.00 C ATOM 1106 OE1 GLU A 72 -1.463 -0.022 11.388 1.00 0.00 O ATOM 1107 OE2 GLU A 72 -2.022 -1.414 12.964 1.00 0.00 O ATOM 0 H GLU A 72 -3.404 -4.238 8.453 1.00 0.00 H new ATOM 0 HA GLU A 72 -5.479 -2.613 9.643 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -3.181 -3.316 10.585 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -2.444 -2.194 9.459 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -3.850 -0.343 10.570 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -4.273 -1.517 11.801 1.00 0.00 H new ATOM 1114 N THR A 73 -5.683 -0.474 8.496 1.00 0.00 N ATOM 1115 CA THR A 73 -6.028 0.781 7.772 1.00 0.00 C ATOM 1116 C THR A 73 -5.588 2.049 8.572 1.00 0.00 C ATOM 1117 O THR A 73 -5.356 2.026 9.786 1.00 0.00 O ATOM 1118 CB THR A 73 -7.558 0.760 7.427 1.00 0.00 C ATOM 1119 OG1 THR A 73 -7.998 1.993 6.863 1.00 0.00 O ATOM 1120 CG2 THR A 73 -8.522 0.467 8.585 1.00 0.00 C ATOM 0 H THR A 73 -6.267 -0.632 9.317 1.00 0.00 H new ATOM 0 HA THR A 73 -5.472 0.835 6.836 1.00 0.00 H new ATOM 0 HB THR A 73 -7.605 -0.073 6.726 1.00 0.00 H new ATOM 0 HG1 THR A 73 -8.687 2.388 7.437 1.00 0.00 H new ATOM 0 HG21 THR A 73 -9.548 0.481 8.217 1.00 0.00 H new ATOM 0 HG22 THR A 73 -8.300 -0.515 9.004 1.00 0.00 H new ATOM 0 HG23 THR A 73 -8.404 1.226 9.358 1.00 0.00 H new ATOM 1128 N MET A 74 -5.506 3.182 7.856 1.00 0.00 N ATOM 1129 CA MET A 74 -5.273 4.520 8.489 1.00 0.00 C ATOM 1130 C MET A 74 -6.529 4.985 9.299 1.00 0.00 C ATOM 1131 O MET A 74 -6.430 5.195 10.510 1.00 0.00 O ATOM 1132 CB MET A 74 -4.803 5.559 7.433 1.00 0.00 C ATOM 1133 CG MET A 74 -3.330 5.447 7.007 1.00 0.00 C ATOM 1134 SD MET A 74 -2.258 5.746 8.427 1.00 0.00 S ATOM 1135 CE MET A 74 -1.526 4.116 8.635 1.00 0.00 C ATOM 0 H MET A 74 -5.595 3.214 6.840 1.00 0.00 H new ATOM 0 HA MET A 74 -4.462 4.430 9.212 1.00 0.00 H new ATOM 0 HB2 MET A 74 -5.429 5.459 6.546 1.00 0.00 H new ATOM 0 HB3 MET A 74 -4.973 6.559 7.832 1.00 0.00 H new ATOM 0 HG2 MET A 74 -3.135 4.457 6.595 1.00 0.00 H new ATOM 0 HG3 MET A 74 -3.114 6.168 6.219 1.00 0.00 H new ATOM 0 HE1 MET A 74 -0.835 4.132 9.478 1.00 0.00 H new ATOM 0 HE2 MET A 74 -2.312 3.386 8.825 1.00 0.00 H new ATOM 0 HE3 MET A 74 -0.987 3.841 7.729 1.00 0.00 H new ATOM 1145 N THR A 75 -7.698 5.118 8.644 1.00 0.00 N ATOM 1146 CA THR A 75 -8.993 5.351 9.340 1.00 0.00 C ATOM 1147 C THR A 75 -9.698 3.958 9.436 1.00 0.00 C ATOM 1148 O THR A 75 -9.952 3.293 8.419 1.00 0.00 O ATOM 1149 CB THR A 75 -9.871 6.403 8.605 1.00 0.00 C ATOM 1150 OG1 THR A 75 -9.153 7.620 8.431 1.00 0.00 O ATOM 1151 CG2 THR A 75 -11.162 6.784 9.350 1.00 0.00 C ATOM 0 H THR A 75 -7.779 5.069 7.628 1.00 0.00 H new ATOM 0 HA THR A 75 -8.829 5.770 10.333 1.00 0.00 H new ATOM 0 HB THR A 75 -10.131 5.922 7.662 1.00 0.00 H new ATOM 0 HG1 THR A 75 -9.765 8.379 8.536 1.00 0.00 H new ATOM 0 HG21 THR A 75 -11.714 7.522 8.768 1.00 0.00 H new ATOM 0 HG22 THR A 75 -11.778 5.896 9.487 1.00 0.00 H new ATOM 0 HG23 THR A 75 -10.910 7.205 10.323 1.00 0.00 H new ATOM 1159 N GLY A 76 -9.980 3.518 10.669 1.00 0.00 N ATOM 1160 CA GLY A 76 -10.690 2.240 10.929 1.00 0.00 C ATOM 1161 C GLY A 76 -10.109 1.334 12.029 1.00 0.00 C ATOM 1162 O GLY A 76 -10.149 1.692 13.208 1.00 0.00 O ATOM 0 H GLY A 76 -9.728 4.028 11.516 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -11.722 2.472 11.190 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -10.717 1.671 10.000 1.00 0.00 H new ATOM 1166 N GLU A 77 -9.629 0.138 11.640 1.00 0.00 N ATOM 1167 CA GLU A 77 -9.274 -0.956 12.581 1.00 0.00 C ATOM 1168 C GLU A 77 -8.420 -2.026 11.826 1.00 0.00 C ATOM 1169 O GLU A 77 -7.187 -2.024 11.894 1.00 0.00 O ATOM 1170 CB GLU A 77 -10.522 -1.479 13.373 1.00 0.00 C ATOM 1171 CG GLU A 77 -11.722 -2.154 12.646 1.00 0.00 C ATOM 1172 CD GLU A 77 -12.336 -1.462 11.431 1.00 0.00 C ATOM 1173 OE1 GLU A 77 -11.880 -1.707 10.291 1.00 0.00 O ATOM 1174 OE2 GLU A 77 -13.280 -0.660 11.584 1.00 0.00 O ATOM 0 H GLU A 77 -9.474 -0.104 10.661 1.00 0.00 H new ATOM 0 HA GLU A 77 -8.634 -0.587 13.382 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -10.154 -2.195 14.108 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -10.924 -0.631 13.927 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -11.400 -3.147 12.331 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -12.515 -2.294 13.381 1.00 0.00 H new ATOM 1181 N LYS A 78 -9.087 -2.920 11.083 1.00 0.00 N ATOM 1182 CA LYS A 78 -8.461 -4.006 10.297 1.00 0.00 C ATOM 1183 C LYS A 78 -9.497 -4.489 9.240 1.00 0.00 C ATOM 1184 O LYS A 78 -10.540 -5.061 9.575 1.00 0.00 O ATOM 1185 CB LYS A 78 -7.965 -5.150 11.231 1.00 0.00 C ATOM 1186 CG LYS A 78 -6.636 -5.751 10.749 1.00 0.00 C ATOM 1187 CD LYS A 78 -6.144 -6.896 11.653 1.00 0.00 C ATOM 1188 CE LYS A 78 -4.791 -7.464 11.193 1.00 0.00 C ATOM 1189 NZ LYS A 78 -4.502 -8.704 11.958 1.00 0.00 N ATOM 0 H LYS A 78 -10.104 -2.912 11.006 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.573 -3.648 9.776 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -7.843 -4.764 12.243 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -8.721 -5.933 11.278 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -6.757 -6.122 9.731 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -5.878 -4.968 10.715 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -6.054 -6.534 12.677 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -6.886 -7.694 11.661 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -4.816 -7.678 10.125 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -4.001 -6.730 11.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -3.874 -9.317 11.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -4.039 -8.458 12.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -5.391 -9.206 12.154 1.00 0.00 H new ATOM 1203 N VAL A 79 -9.205 -4.244 7.956 1.00 0.00 N ATOM 1204 CA VAL A 79 -10.138 -4.537 6.836 1.00 0.00 C ATOM 1205 C VAL A 79 -9.858 -5.909 6.149 1.00 0.00 C ATOM 1206 O VAL A 79 -8.723 -6.190 5.745 1.00 0.00 O ATOM 1207 CB VAL A 79 -10.111 -3.311 5.859 1.00 0.00 C ATOM 1208 CG1 VAL A 79 -8.815 -3.087 5.050 1.00 0.00 C ATOM 1209 CG2 VAL A 79 -11.297 -3.312 4.878 1.00 0.00 C ATOM 0 H VAL A 79 -8.319 -3.838 7.654 1.00 0.00 H new ATOM 0 HA VAL A 79 -11.152 -4.659 7.218 1.00 0.00 H new ATOM 0 HB VAL A 79 -10.178 -2.480 6.561 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -8.930 -2.208 4.415 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -7.981 -2.934 5.735 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -8.619 -3.961 4.428 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -11.230 -2.442 4.225 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -11.271 -4.221 4.276 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -12.232 -3.274 5.437 1.00 0.00 H new ATOM 1219 N LYS A 80 -10.901 -6.751 5.985 1.00 0.00 N ATOM 1220 CA LYS A 80 -10.781 -8.028 5.221 1.00 0.00 C ATOM 1221 C LYS A 80 -10.956 -7.733 3.695 1.00 0.00 C ATOM 1222 O LYS A 80 -12.059 -7.735 3.142 1.00 0.00 O ATOM 1223 CB LYS A 80 -11.709 -9.130 5.800 1.00 0.00 C ATOM 1224 CG LYS A 80 -11.151 -9.752 7.106 1.00 0.00 C ATOM 1225 CD LYS A 80 -11.876 -11.029 7.561 1.00 0.00 C ATOM 1226 CE LYS A 80 -11.200 -11.673 8.791 1.00 0.00 C ATOM 1227 NZ LYS A 80 -11.783 -13.021 9.010 1.00 0.00 N ATOM 0 H LYS A 80 -11.832 -6.578 6.365 1.00 0.00 H new ATOM 0 HA LYS A 80 -9.783 -8.450 5.336 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -12.694 -8.705 5.996 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -11.843 -9.915 5.056 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -10.095 -9.980 6.963 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -11.212 -9.010 7.902 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -12.912 -10.791 7.800 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -11.895 -11.747 6.741 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -10.124 -11.749 8.633 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -11.350 -11.050 9.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -11.709 -13.272 10.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -12.784 -13.017 8.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -11.265 -13.720 8.440 1.00 0.00 H new ATOM 1241 N THR A 81 -9.816 -7.449 3.048 1.00 0.00 N ATOM 1242 CA THR A 81 -9.730 -6.994 1.635 1.00 0.00 C ATOM 1243 C THR A 81 -9.029 -8.088 0.774 1.00 0.00 C ATOM 1244 O THR A 81 -7.805 -8.247 0.824 1.00 0.00 O ATOM 1245 CB THR A 81 -9.016 -5.599 1.637 1.00 0.00 C ATOM 1246 OG1 THR A 81 -9.031 -4.996 0.351 1.00 0.00 O ATOM 1247 CG2 THR A 81 -7.557 -5.570 2.133 1.00 0.00 C ATOM 0 H THR A 81 -8.902 -7.528 3.495 1.00 0.00 H new ATOM 0 HA THR A 81 -10.708 -6.858 1.174 1.00 0.00 H new ATOM 0 HB THR A 81 -9.612 -5.045 2.362 1.00 0.00 H new ATOM 0 HG1 THR A 81 -8.618 -5.602 -0.299 1.00 0.00 H new ATOM 0 HG21 THR A 81 -7.177 -4.550 2.086 1.00 0.00 H new ATOM 0 HG22 THR A 81 -7.516 -5.925 3.163 1.00 0.00 H new ATOM 0 HG23 THR A 81 -6.945 -6.215 1.502 1.00 0.00 H new ATOM 1255 N VAL A 82 -9.791 -8.858 -0.028 1.00 0.00 N ATOM 1256 CA VAL A 82 -9.184 -9.895 -0.920 1.00 0.00 C ATOM 1257 C VAL A 82 -8.621 -9.237 -2.221 1.00 0.00 C ATOM 1258 O VAL A 82 -9.229 -8.335 -2.812 1.00 0.00 O ATOM 1259 CB VAL A 82 -10.077 -11.158 -1.137 1.00 0.00 C ATOM 1260 CG1 VAL A 82 -11.271 -11.041 -2.096 1.00 0.00 C ATOM 1261 CG2 VAL A 82 -9.252 -12.327 -1.689 1.00 0.00 C ATOM 0 H VAL A 82 -10.807 -8.793 -0.085 1.00 0.00 H new ATOM 0 HA VAL A 82 -8.326 -10.319 -0.398 1.00 0.00 H new ATOM 0 HB VAL A 82 -10.472 -11.304 -0.132 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -11.794 -11.996 -2.144 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -11.953 -10.271 -1.736 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -10.914 -10.773 -3.090 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -9.898 -13.193 -1.831 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -8.812 -12.042 -2.645 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -8.459 -12.577 -0.984 1.00 0.00 H new ATOM 1271 N VAL A 83 -7.427 -9.677 -2.630 1.00 0.00 N ATOM 1272 CA VAL A 83 -6.691 -9.077 -3.774 1.00 0.00 C ATOM 1273 C VAL A 83 -6.748 -10.041 -5.005 1.00 0.00 C ATOM 1274 O VAL A 83 -6.509 -11.245 -4.876 1.00 0.00 O ATOM 1275 CB VAL A 83 -5.234 -8.693 -3.324 1.00 0.00 C ATOM 1276 CG1 VAL A 83 -4.554 -7.775 -4.357 1.00 0.00 C ATOM 1277 CG2 VAL A 83 -5.092 -7.977 -1.950 1.00 0.00 C ATOM 0 H VAL A 83 -6.936 -10.454 -2.188 1.00 0.00 H new ATOM 0 HA VAL A 83 -7.164 -8.149 -4.096 1.00 0.00 H new ATOM 0 HB VAL A 83 -4.760 -9.671 -3.235 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -3.548 -7.527 -4.017 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -4.497 -8.288 -5.317 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -5.135 -6.860 -4.469 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -4.040 -7.767 -1.756 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -5.652 -7.042 -1.967 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -5.484 -8.620 -1.162 1.00 0.00 H new ATOM 1287 N GLN A 84 -7.080 -9.515 -6.197 1.00 0.00 N ATOM 1288 CA GLN A 84 -7.097 -10.303 -7.467 1.00 0.00 C ATOM 1289 C GLN A 84 -5.866 -9.906 -8.341 1.00 0.00 C ATOM 1290 O GLN A 84 -5.534 -8.725 -8.488 1.00 0.00 O ATOM 1291 CB GLN A 84 -8.433 -10.087 -8.230 1.00 0.00 C ATOM 1292 CG GLN A 84 -9.638 -10.972 -7.811 1.00 0.00 C ATOM 1293 CD GLN A 84 -10.137 -10.838 -6.366 1.00 0.00 C ATOM 1294 OE1 GLN A 84 -10.750 -9.854 -5.969 1.00 0.00 O ATOM 1295 NE2 GLN A 84 -9.904 -11.829 -5.538 1.00 0.00 N ATOM 0 H GLN A 84 -7.345 -8.538 -6.320 1.00 0.00 H new ATOM 0 HA GLN A 84 -7.028 -11.366 -7.235 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -8.724 -9.043 -8.114 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -8.246 -10.250 -9.291 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -10.470 -10.747 -8.478 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -9.367 -12.014 -7.980 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -9.395 -12.652 -5.859 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -10.232 -11.776 -4.574 1.00 0.00 H new ATOM 1304 N LEU A 85 -5.211 -10.914 -8.937 1.00 0.00 N ATOM 1305 CA LEU A 85 -3.966 -10.734 -9.724 1.00 0.00 C ATOM 1306 C LEU A 85 -4.160 -10.985 -11.255 1.00 0.00 C ATOM 1307 O LEU A 85 -4.627 -12.053 -11.664 1.00 0.00 O ATOM 1308 CB LEU A 85 -2.930 -11.710 -9.088 1.00 0.00 C ATOM 1309 CG LEU A 85 -1.522 -11.755 -9.731 1.00 0.00 C ATOM 1310 CD1 LEU A 85 -0.803 -10.395 -9.720 1.00 0.00 C ATOM 1311 CD2 LEU A 85 -0.645 -12.810 -9.035 1.00 0.00 C ATOM 0 H LEU A 85 -5.525 -11.883 -8.891 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.626 -9.699 -9.677 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -2.815 -11.444 -8.037 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.349 -12.716 -9.118 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.675 -12.026 -10.776 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.177 -10.498 -10.185 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -1.394 -9.667 -10.276 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.683 -10.055 -8.691 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.341 -12.828 -9.500 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -0.544 -12.560 -7.979 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -1.110 -13.791 -9.132 1.00 0.00 H new ATOM 1323 N GLU A 86 -3.737 -10.015 -12.085 1.00 0.00 N ATOM 1324 CA GLU A 86 -3.700 -10.162 -13.568 1.00 0.00 C ATOM 1325 C GLU A 86 -2.206 -10.157 -14.050 1.00 0.00 C ATOM 1326 O GLU A 86 -1.408 -9.270 -13.714 1.00 0.00 O ATOM 1327 CB GLU A 86 -4.526 -9.032 -14.230 1.00 0.00 C ATOM 1328 CG GLU A 86 -4.778 -9.166 -15.755 1.00 0.00 C ATOM 1329 CD GLU A 86 -5.361 -7.911 -16.392 1.00 0.00 C ATOM 1330 OE1 GLU A 86 -6.588 -7.705 -16.299 1.00 0.00 O ATOM 1331 OE2 GLU A 86 -4.592 -7.131 -16.995 1.00 0.00 O ATOM 0 H GLU A 86 -3.410 -9.106 -11.757 1.00 0.00 H new ATOM 0 HA GLU A 86 -4.149 -11.110 -13.865 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -5.492 -8.975 -13.728 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -4.017 -8.085 -14.050 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -3.838 -9.411 -16.249 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -5.457 -10.001 -15.930 1.00 0.00 H new ATOM 1338 N GLY A 87 -1.846 -11.190 -14.831 1.00 0.00 N ATOM 1339 CA GLY A 87 -0.491 -11.337 -15.456 1.00 0.00 C ATOM 1340 C GLY A 87 0.816 -11.295 -14.630 1.00 0.00 C ATOM 1341 O GLY A 87 1.862 -10.917 -15.160 1.00 0.00 O ATOM 0 H GLY A 87 -2.479 -11.957 -15.056 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -0.494 -12.290 -15.986 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -0.409 -10.553 -16.209 1.00 0.00 H new ATOM 1345 N ASP A 88 0.742 -11.682 -13.354 1.00 0.00 N ATOM 1346 CA ASP A 88 1.859 -11.539 -12.363 1.00 0.00 C ATOM 1347 C ASP A 88 2.394 -10.067 -12.119 1.00 0.00 C ATOM 1348 O ASP A 88 3.526 -9.864 -11.670 1.00 0.00 O ATOM 1349 CB ASP A 88 2.940 -12.642 -12.568 1.00 0.00 C ATOM 1350 CG ASP A 88 3.821 -12.950 -11.347 1.00 0.00 C ATOM 1351 OD1 ASP A 88 3.295 -13.022 -10.213 1.00 0.00 O ATOM 1352 OD2 ASP A 88 5.042 -13.144 -11.522 1.00 0.00 O ATOM 0 H ASP A 88 -0.095 -12.110 -12.957 1.00 0.00 H new ATOM 0 HA ASP A 88 1.419 -11.731 -11.384 1.00 0.00 H new ATOM 0 HB2 ASP A 88 2.440 -13.561 -12.873 1.00 0.00 H new ATOM 0 HB3 ASP A 88 3.587 -12.342 -13.393 1.00 0.00 H new ATOM 1357 N ASN A 89 1.561 -9.028 -12.358 1.00 0.00 N ATOM 1358 CA ASN A 89 1.947 -7.602 -12.154 1.00 0.00 C ATOM 1359 C ASN A 89 0.825 -6.637 -11.647 1.00 0.00 C ATOM 1360 O ASN A 89 1.172 -5.651 -10.997 1.00 0.00 O ATOM 1361 CB ASN A 89 2.733 -7.052 -13.378 1.00 0.00 C ATOM 1362 CG ASN A 89 1.946 -6.513 -14.583 1.00 0.00 C ATOM 1363 OD1 ASN A 89 0.985 -7.098 -15.072 1.00 0.00 O ATOM 1364 ND2 ASN A 89 2.324 -5.363 -15.091 1.00 0.00 N ATOM 0 H ASN A 89 0.606 -9.147 -12.696 1.00 0.00 H new ATOM 0 HA ASN A 89 2.620 -7.623 -11.297 1.00 0.00 H new ATOM 0 HB2 ASN A 89 3.380 -6.251 -13.021 1.00 0.00 H new ATOM 0 HB3 ASN A 89 3.383 -7.850 -13.738 1.00 0.00 H new ATOM 0 HD21 ASN A 89 1.820 -4.965 -15.884 1.00 0.00 H new ATOM 0 HD22 ASN A 89 3.122 -4.867 -14.693 1.00 0.00 H new ATOM 1371 N LYS A 90 -0.472 -6.862 -11.935 1.00 0.00 N ATOM 1372 CA LYS A 90 -1.573 -5.949 -11.511 1.00 0.00 C ATOM 1373 C LYS A 90 -2.394 -6.573 -10.338 1.00 0.00 C ATOM 1374 O LYS A 90 -3.130 -7.545 -10.536 1.00 0.00 O ATOM 1375 CB LYS A 90 -2.505 -5.690 -12.724 1.00 0.00 C ATOM 1376 CG LYS A 90 -1.918 -4.941 -13.943 1.00 0.00 C ATOM 1377 CD LYS A 90 -2.811 -5.132 -15.188 1.00 0.00 C ATOM 1378 CE LYS A 90 -2.249 -4.581 -16.509 1.00 0.00 C ATOM 1379 NZ LYS A 90 -2.309 -3.094 -16.557 1.00 0.00 N ATOM 0 H LYS A 90 -0.793 -7.673 -12.464 1.00 0.00 H new ATOM 0 HA LYS A 90 -1.142 -5.011 -11.161 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -2.877 -6.654 -13.072 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -3.367 -5.125 -12.368 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -1.828 -3.879 -13.714 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -0.913 -5.308 -14.151 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -3.003 -6.198 -15.314 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -3.773 -4.655 -14.998 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -1.216 -4.907 -16.629 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -2.813 -4.995 -17.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -2.217 -2.774 -17.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -3.219 -2.771 -16.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -1.532 -2.697 -15.991 1.00 0.00 H new ATOM 1393 N LEU A 91 -2.291 -5.999 -9.132 1.00 0.00 N ATOM 1394 CA LEU A 91 -3.050 -6.457 -7.932 1.00 0.00 C ATOM 1395 C LEU A 91 -4.215 -5.465 -7.619 1.00 0.00 C ATOM 1396 O LEU A 91 -3.971 -4.295 -7.309 1.00 0.00 O ATOM 1397 CB LEU A 91 -2.074 -6.543 -6.730 1.00 0.00 C ATOM 1398 CG LEU A 91 -1.105 -7.748 -6.664 1.00 0.00 C ATOM 1399 CD1 LEU A 91 -0.076 -7.483 -5.558 1.00 0.00 C ATOM 1400 CD2 LEU A 91 -1.806 -9.088 -6.375 1.00 0.00 C ATOM 0 H LEU A 91 -1.682 -5.202 -8.947 1.00 0.00 H new ATOM 0 HA LEU A 91 -3.484 -7.439 -8.122 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -1.475 -5.632 -6.721 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -2.669 -6.543 -5.817 1.00 0.00 H new ATOM 0 HG LEU A 91 -0.640 -7.840 -7.645 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.616 -8.323 -5.496 1.00 0.00 H new ATOM 0 HD12 LEU A 91 0.477 -6.572 -5.787 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.590 -7.366 -4.604 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -1.065 -9.887 -6.343 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -2.319 -9.031 -5.415 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -2.531 -9.297 -7.162 1.00 0.00 H new ATOM 1412 N VAL A 92 -5.475 -5.930 -7.663 1.00 0.00 N ATOM 1413 CA VAL A 92 -6.675 -5.059 -7.440 1.00 0.00 C ATOM 1414 C VAL A 92 -7.494 -5.504 -6.181 1.00 0.00 C ATOM 1415 O VAL A 92 -7.845 -6.682 -6.053 1.00 0.00 O ATOM 1416 CB VAL A 92 -7.556 -4.941 -8.736 1.00 0.00 C ATOM 1417 CG1 VAL A 92 -6.812 -4.287 -9.924 1.00 0.00 C ATOM 1418 CG2 VAL A 92 -8.213 -6.249 -9.239 1.00 0.00 C ATOM 0 H VAL A 92 -5.705 -6.906 -7.851 1.00 0.00 H new ATOM 0 HA VAL A 92 -6.314 -4.053 -7.224 1.00 0.00 H new ATOM 0 HB VAL A 92 -8.360 -4.293 -8.386 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -7.477 -4.236 -10.786 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -6.499 -3.280 -9.647 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -5.935 -4.883 -10.177 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -8.795 -6.042 -10.137 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -7.438 -6.980 -9.469 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -8.870 -6.647 -8.465 1.00 0.00 H new ATOM 1428 N THR A 93 -7.826 -4.572 -5.257 1.00 0.00 N ATOM 1429 CA THR A 93 -8.649 -4.890 -4.044 1.00 0.00 C ATOM 1430 C THR A 93 -9.680 -3.765 -3.674 1.00 0.00 C ATOM 1431 O THR A 93 -9.673 -2.648 -4.208 1.00 0.00 O ATOM 1432 CB THR A 93 -7.750 -5.371 -2.857 1.00 0.00 C ATOM 1433 OG1 THR A 93 -8.535 -6.094 -1.912 1.00 0.00 O ATOM 1434 CG2 THR A 93 -6.964 -4.305 -2.072 1.00 0.00 C ATOM 0 H THR A 93 -7.542 -3.594 -5.319 1.00 0.00 H new ATOM 0 HA THR A 93 -9.286 -5.738 -4.297 1.00 0.00 H new ATOM 0 HB THR A 93 -6.997 -5.974 -3.364 1.00 0.00 H new ATOM 0 HG1 THR A 93 -9.072 -6.767 -2.380 1.00 0.00 H new ATOM 0 HG21 THR A 93 -6.388 -4.786 -1.282 1.00 0.00 H new ATOM 0 HG22 THR A 93 -6.287 -3.781 -2.747 1.00 0.00 H new ATOM 0 HG23 THR A 93 -7.660 -3.592 -1.631 1.00 0.00 H new ATOM 1442 N THR A 94 -10.625 -4.117 -2.787 1.00 0.00 N ATOM 1443 CA THR A 94 -11.669 -3.190 -2.253 1.00 0.00 C ATOM 1444 C THR A 94 -11.373 -3.010 -0.729 1.00 0.00 C ATOM 1445 O THR A 94 -11.676 -3.892 0.081 1.00 0.00 O ATOM 1446 CB THR A 94 -13.097 -3.763 -2.528 1.00 0.00 C ATOM 1447 OG1 THR A 94 -13.312 -4.015 -3.915 1.00 0.00 O ATOM 1448 CG2 THR A 94 -14.238 -2.826 -2.100 1.00 0.00 C ATOM 0 H THR A 94 -10.697 -5.061 -2.408 1.00 0.00 H new ATOM 0 HA THR A 94 -11.640 -2.218 -2.746 1.00 0.00 H new ATOM 0 HB THR A 94 -13.121 -4.677 -1.935 1.00 0.00 H new ATOM 0 HG1 THR A 94 -13.910 -3.331 -4.283 1.00 0.00 H new ATOM 0 HG21 THR A 94 -15.197 -3.294 -2.323 1.00 0.00 H new ATOM 0 HG22 THR A 94 -14.169 -2.634 -1.029 1.00 0.00 H new ATOM 0 HG23 THR A 94 -14.159 -1.884 -2.643 1.00 0.00 H new ATOM 1456 N PHE A 95 -10.783 -1.865 -0.347 1.00 0.00 N ATOM 1457 CA PHE A 95 -10.347 -1.597 1.055 1.00 0.00 C ATOM 1458 C PHE A 95 -11.519 -0.965 1.904 1.00 0.00 C ATOM 1459 O PHE A 95 -12.651 -1.460 1.853 1.00 0.00 O ATOM 1460 CB PHE A 95 -9.037 -0.762 0.859 1.00 0.00 C ATOM 1461 CG PHE A 95 -7.979 -0.827 1.963 1.00 0.00 C ATOM 1462 CD1 PHE A 95 -7.087 -1.900 1.974 1.00 0.00 C ATOM 1463 CD2 PHE A 95 -7.837 0.192 2.911 1.00 0.00 C ATOM 1464 CE1 PHE A 95 -6.112 -1.997 2.964 1.00 0.00 C ATOM 1465 CE2 PHE A 95 -6.848 0.105 3.888 1.00 0.00 C ATOM 1466 CZ PHE A 95 -5.999 -0.998 3.927 1.00 0.00 C ATOM 0 H PHE A 95 -10.591 -1.096 -0.989 1.00 0.00 H new ATOM 0 HA PHE A 95 -10.118 -2.470 1.665 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -8.570 -1.084 -0.072 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -9.321 0.282 0.728 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -7.153 -2.660 1.210 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -8.495 1.048 2.885 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -5.445 -2.846 2.985 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -6.739 0.895 4.617 1.00 0.00 H new ATOM 0 HZ PHE A 95 -5.253 -1.078 4.704 1.00 0.00 H new ATOM 1476 N LYS A 96 -11.296 0.104 2.699 1.00 0.00 N ATOM 1477 CA LYS A 96 -12.389 0.819 3.437 1.00 0.00 C ATOM 1478 C LYS A 96 -13.043 1.859 2.461 1.00 0.00 C ATOM 1479 O LYS A 96 -12.715 3.049 2.486 1.00 0.00 O ATOM 1480 CB LYS A 96 -11.818 1.512 4.712 1.00 0.00 C ATOM 1481 CG LYS A 96 -11.187 0.637 5.821 1.00 0.00 C ATOM 1482 CD LYS A 96 -12.141 -0.167 6.735 1.00 0.00 C ATOM 1483 CE LYS A 96 -12.948 0.673 7.744 1.00 0.00 C ATOM 1484 NZ LYS A 96 -13.535 -0.225 8.779 1.00 0.00 N ATOM 0 H LYS A 96 -10.369 0.501 2.854 1.00 0.00 H new ATOM 0 HA LYS A 96 -13.149 0.112 3.769 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -11.063 2.228 4.387 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -12.627 2.086 5.165 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -10.506 -0.068 5.344 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -10.582 1.285 6.455 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -12.839 -0.720 6.107 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -11.556 -0.903 7.286 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -12.303 1.415 8.214 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -13.739 1.219 7.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -13.718 0.318 9.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -14.428 -0.624 8.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -12.869 -0.996 8.987 1.00 0.00 H new ATOM 1498 N ASN A 97 -13.934 1.398 1.556 1.00 0.00 N ATOM 1499 CA ASN A 97 -14.514 2.225 0.453 1.00 0.00 C ATOM 1500 C ASN A 97 -13.470 2.890 -0.535 1.00 0.00 C ATOM 1501 O ASN A 97 -13.698 3.976 -1.074 1.00 0.00 O ATOM 1502 CB ASN A 97 -15.595 3.186 1.017 1.00 0.00 C ATOM 1503 CG ASN A 97 -16.787 2.548 1.746 1.00 0.00 C ATOM 1504 OD1 ASN A 97 -16.751 2.282 2.942 1.00 0.00 O ATOM 1505 ND2 ASN A 97 -17.874 2.274 1.064 1.00 0.00 N ATOM 0 H ASN A 97 -14.278 0.438 1.563 1.00 0.00 H new ATOM 0 HA ASN A 97 -15.013 1.533 -0.226 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -15.108 3.876 1.705 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -15.983 3.781 0.190 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -18.674 1.846 1.530 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -17.919 2.490 0.068 1.00 0.00 H new ATOM 1512 N ILE A 98 -12.343 2.199 -0.796 1.00 0.00 N ATOM 1513 CA ILE A 98 -11.212 2.697 -1.634 1.00 0.00 C ATOM 1514 C ILE A 98 -10.837 1.535 -2.615 1.00 0.00 C ATOM 1515 O ILE A 98 -10.597 0.396 -2.186 1.00 0.00 O ATOM 1516 CB ILE A 98 -9.978 3.091 -0.732 1.00 0.00 C ATOM 1517 CG1 ILE A 98 -10.239 4.167 0.370 1.00 0.00 C ATOM 1518 CG2 ILE A 98 -8.735 3.538 -1.547 1.00 0.00 C ATOM 1519 CD1 ILE A 98 -9.523 3.880 1.702 1.00 0.00 C ATOM 0 H ILE A 98 -12.181 1.261 -0.428 1.00 0.00 H new ATOM 0 HA ILE A 98 -11.498 3.594 -2.184 1.00 0.00 H new ATOM 0 HB ILE A 98 -9.786 2.146 -0.224 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -9.917 5.140 -0.002 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -11.312 4.234 0.552 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -7.925 3.794 -0.864 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -8.416 2.725 -2.200 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -8.990 4.409 -2.151 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -9.753 4.671 2.416 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -9.862 2.923 2.099 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -8.446 3.843 1.536 1.00 0.00 H new ATOM 1531 N LYS A 99 -10.736 1.819 -3.927 1.00 0.00 N ATOM 1532 CA LYS A 99 -10.274 0.808 -4.918 1.00 0.00 C ATOM 1533 C LYS A 99 -8.718 0.915 -5.063 1.00 0.00 C ATOM 1534 O LYS A 99 -8.195 1.825 -5.721 1.00 0.00 O ATOM 1535 CB LYS A 99 -11.077 0.978 -6.233 1.00 0.00 C ATOM 1536 CG LYS A 99 -10.837 -0.135 -7.292 1.00 0.00 C ATOM 1537 CD LYS A 99 -12.081 -0.977 -7.664 1.00 0.00 C ATOM 1538 CE LYS A 99 -12.746 -1.789 -6.532 1.00 0.00 C ATOM 1539 NZ LYS A 99 -11.888 -2.906 -6.056 1.00 0.00 N ATOM 0 H LYS A 99 -10.964 2.728 -4.330 1.00 0.00 H new ATOM 0 HA LYS A 99 -10.471 -0.213 -4.590 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -12.140 1.008 -5.992 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -10.823 1.941 -6.675 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -10.448 0.328 -8.199 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -10.063 -0.806 -6.920 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -12.830 -0.306 -8.084 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -11.796 -1.671 -8.455 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -12.971 -1.126 -5.697 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -13.696 -2.190 -6.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -12.422 -3.491 -5.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -11.596 -3.489 -6.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -11.045 -2.520 -5.586 1.00 0.00 H new ATOM 1553 N SER A 100 -7.996 -0.018 -4.414 1.00 0.00 N ATOM 1554 CA SER A 100 -6.509 -0.044 -4.414 1.00 0.00 C ATOM 1555 C SER A 100 -5.954 -0.897 -5.591 1.00 0.00 C ATOM 1556 O SER A 100 -6.213 -2.102 -5.679 1.00 0.00 O ATOM 1557 CB SER A 100 -6.041 -0.555 -3.034 1.00 0.00 C ATOM 1558 OG SER A 100 -4.621 -0.463 -2.900 1.00 0.00 O ATOM 0 H SER A 100 -8.418 -0.774 -3.875 1.00 0.00 H new ATOM 0 HA SER A 100 -6.113 0.959 -4.574 1.00 0.00 H new ATOM 0 HB2 SER A 100 -6.521 0.026 -2.247 1.00 0.00 H new ATOM 0 HB3 SER A 100 -6.354 -1.591 -2.902 1.00 0.00 H new ATOM 0 HG SER A 100 -4.354 -0.792 -2.016 1.00 0.00 H new ATOM 1564 N VAL A 101 -5.185 -0.249 -6.479 1.00 0.00 N ATOM 1565 CA VAL A 101 -4.603 -0.888 -7.694 1.00 0.00 C ATOM 1566 C VAL A 101 -3.046 -0.831 -7.563 1.00 0.00 C ATOM 1567 O VAL A 101 -2.450 0.244 -7.694 1.00 0.00 O ATOM 1568 CB VAL A 101 -5.137 -0.154 -8.980 1.00 0.00 C ATOM 1569 CG1 VAL A 101 -4.503 -0.675 -10.291 1.00 0.00 C ATOM 1570 CG2 VAL A 101 -6.676 -0.204 -9.155 1.00 0.00 C ATOM 0 H VAL A 101 -4.942 0.737 -6.384 1.00 0.00 H new ATOM 0 HA VAL A 101 -4.902 -1.932 -7.786 1.00 0.00 H new ATOM 0 HB VAL A 101 -4.836 0.878 -8.803 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -4.915 -0.126 -11.138 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -3.423 -0.530 -10.256 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -4.723 -1.737 -10.405 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -6.956 0.326 -10.066 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -7.001 -1.242 -9.225 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -7.155 0.269 -8.298 1.00 0.00 H new ATOM 1580 N THR A 102 -2.379 -1.974 -7.327 1.00 0.00 N ATOM 1581 CA THR A 102 -0.889 -2.033 -7.228 1.00 0.00 C ATOM 1582 C THR A 102 -0.302 -2.608 -8.559 1.00 0.00 C ATOM 1583 O THR A 102 -0.524 -3.791 -8.844 1.00 0.00 O ATOM 1584 CB THR A 102 -0.391 -2.829 -5.978 1.00 0.00 C ATOM 1585 OG1 THR A 102 -1.186 -2.611 -4.814 1.00 0.00 O ATOM 1586 CG2 THR A 102 1.064 -2.509 -5.609 1.00 0.00 C ATOM 0 H THR A 102 -2.838 -2.876 -7.200 1.00 0.00 H new ATOM 0 HA THR A 102 -0.521 -1.017 -7.085 1.00 0.00 H new ATOM 0 HB THR A 102 -0.477 -3.871 -6.286 1.00 0.00 H new ATOM 0 HG1 THR A 102 -1.187 -1.656 -4.592 1.00 0.00 H new ATOM 0 HG21 THR A 102 1.354 -3.091 -4.734 1.00 0.00 H new ATOM 0 HG22 THR A 102 1.716 -2.762 -6.445 1.00 0.00 H new ATOM 0 HG23 THR A 102 1.157 -1.446 -5.385 1.00 0.00 H new ATOM 1594 N GLU A 103 0.433 -1.811 -9.371 1.00 0.00 N ATOM 1595 CA GLU A 103 1.021 -2.310 -10.648 1.00 0.00 C ATOM 1596 C GLU A 103 2.577 -2.382 -10.591 1.00 0.00 C ATOM 1597 O GLU A 103 3.258 -1.436 -10.182 1.00 0.00 O ATOM 1598 CB GLU A 103 0.559 -1.454 -11.854 1.00 0.00 C ATOM 1599 CG GLU A 103 0.782 -2.153 -13.224 1.00 0.00 C ATOM 1600 CD GLU A 103 0.268 -1.388 -14.424 1.00 0.00 C ATOM 1601 OE1 GLU A 103 0.958 -0.454 -14.881 1.00 0.00 O ATOM 1602 OE2 GLU A 103 -0.811 -1.747 -14.941 1.00 0.00 O ATOM 0 H GLU A 103 0.634 -0.831 -9.172 1.00 0.00 H new ATOM 0 HA GLU A 103 0.651 -3.326 -10.786 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -0.500 -1.221 -11.741 1.00 0.00 H new ATOM 0 HB3 GLU A 103 1.097 -0.506 -11.845 1.00 0.00 H new ATOM 0 HG2 GLU A 103 1.850 -2.330 -13.355 1.00 0.00 H new ATOM 0 HG3 GLU A 103 0.298 -3.129 -13.200 1.00 0.00 H new ATOM 1609 N LEU A 104 3.127 -3.503 -11.074 1.00 0.00 N ATOM 1610 CA LEU A 104 4.592 -3.723 -11.163 1.00 0.00 C ATOM 1611 C LEU A 104 5.059 -3.539 -12.644 1.00 0.00 C ATOM 1612 O LEU A 104 4.682 -4.311 -13.533 1.00 0.00 O ATOM 1613 CB LEU A 104 4.933 -5.126 -10.575 1.00 0.00 C ATOM 1614 CG LEU A 104 6.196 -5.195 -9.683 1.00 0.00 C ATOM 1615 CD1 LEU A 104 6.391 -6.637 -9.202 1.00 0.00 C ATOM 1616 CD2 LEU A 104 7.484 -4.730 -10.381 1.00 0.00 C ATOM 0 H LEU A 104 2.575 -4.289 -11.417 1.00 0.00 H new ATOM 0 HA LEU A 104 5.137 -2.987 -10.571 1.00 0.00 H new ATOM 0 HB2 LEU A 104 4.080 -5.471 -9.991 1.00 0.00 H new ATOM 0 HB3 LEU A 104 5.057 -5.825 -11.402 1.00 0.00 H new ATOM 0 HG LEU A 104 6.023 -4.508 -8.854 1.00 0.00 H new ATOM 0 HD11 LEU A 104 7.279 -6.694 -8.573 1.00 0.00 H new ATOM 0 HD12 LEU A 104 5.519 -6.950 -8.628 1.00 0.00 H new ATOM 0 HD13 LEU A 104 6.514 -7.294 -10.063 1.00 0.00 H new ATOM 0 HD21 LEU A 104 8.322 -4.809 -9.689 1.00 0.00 H new ATOM 0 HD22 LEU A 104 7.673 -5.357 -11.252 1.00 0.00 H new ATOM 0 HD23 LEU A 104 7.372 -3.693 -10.698 1.00 0.00 H new ATOM 1628 N ASN A 105 5.870 -2.507 -12.921 1.00 0.00 N ATOM 1629 CA ASN A 105 6.394 -2.235 -14.292 1.00 0.00 C ATOM 1630 C ASN A 105 7.904 -2.633 -14.353 1.00 0.00 C ATOM 1631 O ASN A 105 8.798 -1.805 -14.148 1.00 0.00 O ATOM 1632 CB ASN A 105 6.091 -0.753 -14.651 1.00 0.00 C ATOM 1633 CG ASN A 105 4.644 -0.479 -15.090 1.00 0.00 C ATOM 1634 OD1 ASN A 105 4.318 -0.541 -16.270 1.00 0.00 O ATOM 1635 ND2 ASN A 105 3.743 -0.188 -14.181 1.00 0.00 N ATOM 0 H ASN A 105 6.185 -1.838 -12.219 1.00 0.00 H new ATOM 0 HA ASN A 105 5.901 -2.841 -15.053 1.00 0.00 H new ATOM 0 HB2 ASN A 105 6.317 -0.131 -13.785 1.00 0.00 H new ATOM 0 HB3 ASN A 105 6.763 -0.443 -15.451 1.00 0.00 H new ATOM 0 HD21 ASN A 105 2.777 -0.015 -14.458 1.00 0.00 H new ATOM 0 HD22 ASN A 105 4.009 -0.135 -13.198 1.00 0.00 H new ATOM 1642 N GLY A 106 8.183 -3.926 -14.619 1.00 0.00 N ATOM 1643 CA GLY A 106 9.572 -4.469 -14.635 1.00 0.00 C ATOM 1644 C GLY A 106 10.121 -4.713 -13.214 1.00 0.00 C ATOM 1645 O GLY A 106 9.814 -5.736 -12.600 1.00 0.00 O ATOM 0 H GLY A 106 7.467 -4.622 -14.827 1.00 0.00 H new ATOM 0 HA2 GLY A 106 9.588 -5.405 -15.194 1.00 0.00 H new ATOM 0 HA3 GLY A 106 10.226 -3.773 -15.160 1.00 0.00 H new ATOM 1649 N ASP A 107 10.907 -3.752 -12.708 1.00 0.00 N ATOM 1650 CA ASP A 107 11.392 -3.755 -11.291 1.00 0.00 C ATOM 1651 C ASP A 107 11.045 -2.429 -10.502 1.00 0.00 C ATOM 1652 O ASP A 107 11.758 -2.024 -9.575 1.00 0.00 O ATOM 1653 CB ASP A 107 12.898 -4.144 -11.269 1.00 0.00 C ATOM 1654 CG ASP A 107 13.202 -5.621 -11.544 1.00 0.00 C ATOM 1655 OD1 ASP A 107 12.623 -6.503 -10.868 1.00 0.00 O ATOM 1656 OD2 ASP A 107 14.042 -5.902 -12.422 1.00 0.00 O ATOM 0 H ASP A 107 11.230 -2.951 -13.251 1.00 0.00 H new ATOM 0 HA ASP A 107 10.845 -4.515 -10.733 1.00 0.00 H new ATOM 0 HB2 ASP A 107 13.422 -3.539 -12.009 1.00 0.00 H new ATOM 0 HB3 ASP A 107 13.309 -3.882 -10.294 1.00 0.00 H new ATOM 1661 N ILE A 108 9.915 -1.768 -10.829 1.00 0.00 N ATOM 1662 CA ILE A 108 9.390 -0.576 -10.107 1.00 0.00 C ATOM 1663 C ILE A 108 7.878 -0.838 -9.819 1.00 0.00 C ATOM 1664 O ILE A 108 7.105 -1.164 -10.729 1.00 0.00 O ATOM 1665 CB ILE A 108 9.694 0.804 -10.768 1.00 0.00 C ATOM 1666 CG1 ILE A 108 8.910 1.120 -12.064 1.00 0.00 C ATOM 1667 CG2 ILE A 108 11.204 1.073 -10.975 1.00 0.00 C ATOM 1668 CD1 ILE A 108 7.619 1.916 -11.814 1.00 0.00 C ATOM 0 H ILE A 108 9.327 -2.047 -11.614 1.00 0.00 H new ATOM 0 HA ILE A 108 9.935 -0.468 -9.169 1.00 0.00 H new ATOM 0 HB ILE A 108 9.318 1.499 -10.017 1.00 0.00 H new ATOM 0 HG12 ILE A 108 9.552 1.685 -12.740 1.00 0.00 H new ATOM 0 HG13 ILE A 108 8.661 0.186 -12.567 1.00 0.00 H new ATOM 0 HG21 ILE A 108 11.339 2.050 -11.439 1.00 0.00 H new ATOM 0 HG22 ILE A 108 11.712 1.055 -10.011 1.00 0.00 H new ATOM 0 HG23 ILE A 108 11.625 0.303 -11.621 1.00 0.00 H new ATOM 0 HD11 ILE A 108 7.118 2.104 -12.764 1.00 0.00 H new ATOM 0 HD12 ILE A 108 6.959 1.343 -11.162 1.00 0.00 H new ATOM 0 HD13 ILE A 108 7.864 2.866 -11.338 1.00 0.00 H new ATOM 1680 N ILE A 109 7.450 -0.694 -8.560 1.00 0.00 N ATOM 1681 CA ILE A 109 6.038 -0.931 -8.146 1.00 0.00 C ATOM 1682 C ILE A 109 5.288 0.406 -7.859 1.00 0.00 C ATOM 1683 O ILE A 109 5.820 1.303 -7.195 1.00 0.00 O ATOM 1684 CB ILE A 109 6.015 -1.948 -6.948 1.00 0.00 C ATOM 1685 CG1 ILE A 109 4.614 -2.589 -6.757 1.00 0.00 C ATOM 1686 CG2 ILE A 109 6.526 -1.363 -5.601 1.00 0.00 C ATOM 1687 CD1 ILE A 109 4.611 -3.855 -5.887 1.00 0.00 C ATOM 0 H ILE A 109 8.060 -0.412 -7.793 1.00 0.00 H new ATOM 0 HA ILE A 109 5.483 -1.384 -8.967 1.00 0.00 H new ATOM 0 HB ILE A 109 6.725 -2.723 -7.236 1.00 0.00 H new ATOM 0 HG12 ILE A 109 3.948 -1.852 -6.308 1.00 0.00 H new ATOM 0 HG13 ILE A 109 4.203 -2.834 -7.736 1.00 0.00 H new ATOM 0 HG21 ILE A 109 6.476 -2.131 -4.829 1.00 0.00 H new ATOM 0 HG22 ILE A 109 7.558 -1.031 -5.717 1.00 0.00 H new ATOM 0 HG23 ILE A 109 5.903 -0.517 -5.312 1.00 0.00 H new ATOM 0 HD11 ILE A 109 3.594 -4.238 -5.805 1.00 0.00 H new ATOM 0 HD12 ILE A 109 5.248 -4.612 -6.344 1.00 0.00 H new ATOM 0 HD13 ILE A 109 4.989 -3.615 -4.893 1.00 0.00 H new ATOM 1699 N THR A 110 4.038 0.524 -8.338 1.00 0.00 N ATOM 1700 CA THR A 110 3.172 1.699 -8.039 1.00 0.00 C ATOM 1701 C THR A 110 1.902 1.265 -7.261 1.00 0.00 C ATOM 1702 O THR A 110 1.174 0.393 -7.732 1.00 0.00 O ATOM 1703 CB THR A 110 2.857 2.543 -9.311 1.00 0.00 C ATOM 1704 OG1 THR A 110 2.518 3.883 -8.948 1.00 0.00 O ATOM 1705 CG2 THR A 110 1.739 2.049 -10.236 1.00 0.00 C ATOM 0 H THR A 110 3.596 -0.175 -8.935 1.00 0.00 H new ATOM 0 HA THR A 110 3.730 2.368 -7.385 1.00 0.00 H new ATOM 0 HB THR A 110 3.784 2.453 -9.877 1.00 0.00 H new ATOM 0 HG1 THR A 110 2.522 3.968 -7.972 1.00 0.00 H new ATOM 0 HG21 THR A 110 1.633 2.734 -11.077 1.00 0.00 H new ATOM 0 HG22 THR A 110 1.987 1.055 -10.607 1.00 0.00 H new ATOM 0 HG23 THR A 110 0.801 2.006 -9.682 1.00 0.00 H new ATOM 1713 N ASN A 111 1.611 1.883 -6.107 1.00 0.00 N ATOM 1714 CA ASN A 111 0.370 1.587 -5.336 1.00 0.00 C ATOM 1715 C ASN A 111 -0.618 2.775 -5.512 1.00 0.00 C ATOM 1716 O ASN A 111 -0.405 3.850 -4.944 1.00 0.00 O ATOM 1717 CB ASN A 111 0.718 1.270 -3.860 1.00 0.00 C ATOM 1718 CG ASN A 111 -0.440 0.592 -3.123 1.00 0.00 C ATOM 1719 OD1 ASN A 111 -0.815 -0.534 -3.429 1.00 0.00 O ATOM 1720 ND2 ASN A 111 -1.077 1.248 -2.186 1.00 0.00 N ATOM 0 H ASN A 111 2.209 2.590 -5.679 1.00 0.00 H new ATOM 0 HA ASN A 111 -0.127 0.694 -5.716 1.00 0.00 H new ATOM 0 HB2 ASN A 111 1.595 0.624 -3.827 1.00 0.00 H new ATOM 0 HB3 ASN A 111 0.983 2.193 -3.345 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -1.877 0.821 -1.719 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -0.773 2.186 -1.923 1.00 0.00 H new ATOM 1727 N THR A 112 -1.679 2.570 -6.310 1.00 0.00 N ATOM 1728 CA THR A 112 -2.670 3.631 -6.641 1.00 0.00 C ATOM 1729 C THR A 112 -3.998 3.402 -5.851 1.00 0.00 C ATOM 1730 O THR A 112 -4.844 2.585 -6.232 1.00 0.00 O ATOM 1731 CB THR A 112 -2.861 3.664 -8.189 1.00 0.00 C ATOM 1732 OG1 THR A 112 -1.607 3.690 -8.868 1.00 0.00 O ATOM 1733 CG2 THR A 112 -3.629 4.890 -8.693 1.00 0.00 C ATOM 0 H THR A 112 -1.882 1.671 -6.747 1.00 0.00 H new ATOM 0 HA THR A 112 -2.310 4.612 -6.332 1.00 0.00 H new ATOM 0 HB THR A 112 -3.429 2.758 -8.402 1.00 0.00 H new ATOM 0 HG1 THR A 112 -1.759 3.709 -9.836 1.00 0.00 H new ATOM 0 HG21 THR A 112 -3.721 4.841 -9.778 1.00 0.00 H new ATOM 0 HG22 THR A 112 -4.623 4.906 -8.245 1.00 0.00 H new ATOM 0 HG23 THR A 112 -3.091 5.796 -8.415 1.00 0.00 H new ATOM 1741 N MET A 113 -4.178 4.137 -4.743 1.00 0.00 N ATOM 1742 CA MET A 113 -5.411 4.081 -3.911 1.00 0.00 C ATOM 1743 C MET A 113 -6.438 5.139 -4.413 1.00 0.00 C ATOM 1744 O MET A 113 -6.322 6.342 -4.152 1.00 0.00 O ATOM 1745 CB MET A 113 -5.055 4.260 -2.416 1.00 0.00 C ATOM 1746 CG MET A 113 -4.518 2.993 -1.729 1.00 0.00 C ATOM 1747 SD MET A 113 -4.500 3.234 0.057 1.00 0.00 S ATOM 1748 CE MET A 113 -4.540 1.513 0.583 1.00 0.00 C ATOM 0 H MET A 113 -3.478 4.790 -4.390 1.00 0.00 H new ATOM 0 HA MET A 113 -5.880 3.102 -4.011 1.00 0.00 H new ATOM 0 HB2 MET A 113 -4.309 5.050 -2.326 1.00 0.00 H new ATOM 0 HB3 MET A 113 -5.943 4.598 -1.882 1.00 0.00 H new ATOM 0 HG2 MET A 113 -5.142 2.137 -1.984 1.00 0.00 H new ATOM 0 HG3 MET A 113 -3.512 2.772 -2.086 1.00 0.00 H new ATOM 0 HE1 MET A 113 -4.534 1.465 1.672 1.00 0.00 H new ATOM 0 HE2 MET A 113 -5.445 1.038 0.204 1.00 0.00 H new ATOM 0 HE3 MET A 113 -3.666 0.993 0.192 1.00 0.00 H new ATOM 1758 N THR A 114 -7.452 4.653 -5.140 1.00 0.00 N ATOM 1759 CA THR A 114 -8.488 5.513 -5.776 1.00 0.00 C ATOM 1760 C THR A 114 -9.752 5.640 -4.866 1.00 0.00 C ATOM 1761 O THR A 114 -10.499 4.677 -4.654 1.00 0.00 O ATOM 1762 CB THR A 114 -8.824 5.021 -7.219 1.00 0.00 C ATOM 1763 OG1 THR A 114 -9.358 3.703 -7.227 1.00 0.00 O ATOM 1764 CG2 THR A 114 -7.650 5.024 -8.210 1.00 0.00 C ATOM 0 H THR A 114 -7.587 3.656 -5.310 1.00 0.00 H new ATOM 0 HA THR A 114 -8.081 6.519 -5.882 1.00 0.00 H new ATOM 0 HB THR A 114 -9.555 5.759 -7.550 1.00 0.00 H new ATOM 0 HG1 THR A 114 -8.707 3.084 -6.835 1.00 0.00 H new ATOM 0 HG21 THR A 114 -7.992 4.665 -9.181 1.00 0.00 H new ATOM 0 HG22 THR A 114 -7.264 6.038 -8.314 1.00 0.00 H new ATOM 0 HG23 THR A 114 -6.860 4.371 -7.840 1.00 0.00 H new ATOM 1772 N LEU A 115 -9.969 6.845 -4.314 1.00 0.00 N ATOM 1773 CA LEU A 115 -11.156 7.173 -3.474 1.00 0.00 C ATOM 1774 C LEU A 115 -12.039 8.206 -4.246 1.00 0.00 C ATOM 1775 O LEU A 115 -11.994 9.413 -3.982 1.00 0.00 O ATOM 1776 CB LEU A 115 -10.605 7.635 -2.092 1.00 0.00 C ATOM 1777 CG LEU A 115 -11.614 8.166 -1.038 1.00 0.00 C ATOM 1778 CD1 LEU A 115 -12.678 7.133 -0.629 1.00 0.00 C ATOM 1779 CD2 LEU A 115 -10.852 8.643 0.209 1.00 0.00 C ATOM 0 H LEU A 115 -9.329 7.630 -4.432 1.00 0.00 H new ATOM 0 HA LEU A 115 -11.823 6.333 -3.280 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -10.072 6.794 -1.648 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -9.869 8.419 -2.272 1.00 0.00 H new ATOM 0 HG LEU A 115 -12.148 8.993 -1.506 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -13.348 7.573 0.110 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -13.251 6.834 -1.507 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -12.190 6.258 -0.200 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -11.561 9.016 0.948 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -10.290 7.811 0.633 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -10.164 9.442 -0.068 1.00 0.00 H new ATOM 1791 N GLY A 116 -12.830 7.718 -5.227 1.00 0.00 N ATOM 1792 CA GLY A 116 -13.683 8.585 -6.091 1.00 0.00 C ATOM 1793 C GLY A 116 -12.888 9.506 -7.044 1.00 0.00 C ATOM 1794 O GLY A 116 -12.475 9.092 -8.129 1.00 0.00 O ATOM 0 H GLY A 116 -12.900 6.724 -5.446 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -14.344 7.951 -6.683 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -14.318 9.201 -5.454 1.00 0.00 H new ATOM 1798 N ASP A 117 -12.679 10.743 -6.589 1.00 0.00 N ATOM 1799 CA ASP A 117 -11.831 11.755 -7.291 1.00 0.00 C ATOM 1800 C ASP A 117 -10.333 11.773 -6.805 1.00 0.00 C ATOM 1801 O ASP A 117 -9.442 12.161 -7.566 1.00 0.00 O ATOM 1802 CB ASP A 117 -12.472 13.158 -7.110 1.00 0.00 C ATOM 1803 CG ASP A 117 -13.819 13.367 -7.802 1.00 0.00 C ATOM 1804 OD1 ASP A 117 -13.836 13.585 -9.032 1.00 0.00 O ATOM 1805 OD2 ASP A 117 -14.862 13.319 -7.115 1.00 0.00 O ATOM 0 H ASP A 117 -13.087 11.089 -5.721 1.00 0.00 H new ATOM 0 HA ASP A 117 -11.797 11.475 -8.344 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -12.600 13.344 -6.044 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -11.773 13.907 -7.482 1.00 0.00 H new ATOM 1810 N ILE A 118 -10.044 11.370 -5.549 1.00 0.00 N ATOM 1811 CA ILE A 118 -8.677 11.365 -4.964 1.00 0.00 C ATOM 1812 C ILE A 118 -7.880 10.110 -5.470 1.00 0.00 C ATOM 1813 O ILE A 118 -8.284 8.967 -5.229 1.00 0.00 O ATOM 1814 CB ILE A 118 -8.762 11.367 -3.396 1.00 0.00 C ATOM 1815 CG1 ILE A 118 -9.707 12.394 -2.693 1.00 0.00 C ATOM 1816 CG2 ILE A 118 -7.352 11.441 -2.758 1.00 0.00 C ATOM 1817 CD1 ILE A 118 -9.288 13.873 -2.701 1.00 0.00 C ATOM 0 H ILE A 118 -10.758 11.035 -4.902 1.00 0.00 H new ATOM 0 HA ILE A 118 -8.150 12.264 -5.284 1.00 0.00 H new ATOM 0 HB ILE A 118 -9.251 10.411 -3.210 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -10.689 12.321 -3.161 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -9.825 12.085 -1.655 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -7.444 11.441 -1.672 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -6.764 10.579 -3.073 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -6.855 12.356 -3.080 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -10.038 14.466 -2.178 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -8.326 13.981 -2.201 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -9.203 14.221 -3.730 1.00 0.00 H new ATOM 1829 N VAL A 119 -6.716 10.331 -6.102 1.00 0.00 N ATOM 1830 CA VAL A 119 -5.859 9.224 -6.629 1.00 0.00 C ATOM 1831 C VAL A 119 -4.514 9.220 -5.827 1.00 0.00 C ATOM 1832 O VAL A 119 -3.542 9.863 -6.233 1.00 0.00 O ATOM 1833 CB VAL A 119 -5.709 9.370 -8.189 1.00 0.00 C ATOM 1834 CG1 VAL A 119 -4.819 8.277 -8.818 1.00 0.00 C ATOM 1835 CG2 VAL A 119 -7.052 9.342 -8.964 1.00 0.00 C ATOM 0 H VAL A 119 -6.335 11.263 -6.267 1.00 0.00 H new ATOM 0 HA VAL A 119 -6.310 8.243 -6.479 1.00 0.00 H new ATOM 0 HB VAL A 119 -5.248 10.352 -8.290 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -4.756 8.434 -9.895 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -3.820 8.327 -8.385 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -5.252 7.296 -8.619 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -6.858 9.448 -10.031 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -7.559 8.395 -8.780 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -7.684 10.163 -8.626 1.00 0.00 H new ATOM 1845 N PHE A 120 -4.436 8.505 -4.683 1.00 0.00 N ATOM 1846 CA PHE A 120 -3.181 8.413 -3.876 1.00 0.00 C ATOM 1847 C PHE A 120 -2.182 7.405 -4.524 1.00 0.00 C ATOM 1848 O PHE A 120 -2.319 6.190 -4.362 1.00 0.00 O ATOM 1849 CB PHE A 120 -3.535 8.124 -2.387 1.00 0.00 C ATOM 1850 CG PHE A 120 -2.371 7.762 -1.433 1.00 0.00 C ATOM 1851 CD1 PHE A 120 -1.164 8.472 -1.468 1.00 0.00 C ATOM 1852 CD2 PHE A 120 -2.475 6.642 -0.599 1.00 0.00 C ATOM 1853 CE1 PHE A 120 -0.067 8.031 -0.739 1.00 0.00 C ATOM 1854 CE2 PHE A 120 -1.376 6.207 0.139 1.00 0.00 C ATOM 1855 CZ PHE A 120 -0.171 6.900 0.065 1.00 0.00 C ATOM 0 H PHE A 120 -5.220 7.982 -4.292 1.00 0.00 H new ATOM 0 HA PHE A 120 -2.653 9.367 -3.877 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -4.039 9.003 -1.984 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -4.255 7.306 -2.365 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -1.086 9.368 -2.066 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -3.413 6.112 -0.527 1.00 0.00 H new ATOM 0 HE1 PHE A 120 0.869 8.567 -0.796 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -1.459 5.333 0.768 1.00 0.00 H new ATOM 0 HZ PHE A 120 0.683 6.560 0.632 1.00 0.00 H new ATOM 1865 N LYS A 121 -1.164 7.931 -5.225 1.00 0.00 N ATOM 1866 CA LYS A 121 -0.198 7.089 -5.976 1.00 0.00 C ATOM 1867 C LYS A 121 1.250 7.095 -5.391 1.00 0.00 C ATOM 1868 O LYS A 121 1.965 8.099 -5.453 1.00 0.00 O ATOM 1869 CB LYS A 121 -0.252 7.543 -7.459 1.00 0.00 C ATOM 1870 CG LYS A 121 0.453 6.590 -8.450 1.00 0.00 C ATOM 1871 CD LYS A 121 0.340 7.108 -9.895 1.00 0.00 C ATOM 1872 CE LYS A 121 1.027 6.167 -10.896 1.00 0.00 C ATOM 1873 NZ LYS A 121 0.893 6.743 -12.260 1.00 0.00 N ATOM 0 H LYS A 121 -0.983 8.933 -5.292 1.00 0.00 H new ATOM 0 HA LYS A 121 -0.491 6.043 -5.885 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -1.296 7.647 -7.756 1.00 0.00 H new ATOM 0 HB3 LYS A 121 0.202 8.531 -7.540 1.00 0.00 H new ATOM 0 HG2 LYS A 121 1.504 6.490 -8.178 1.00 0.00 H new ATOM 0 HG3 LYS A 121 0.010 5.596 -8.381 1.00 0.00 H new ATOM 0 HD2 LYS A 121 -0.712 7.216 -10.161 1.00 0.00 H new ATOM 0 HD3 LYS A 121 0.789 8.099 -9.962 1.00 0.00 H new ATOM 0 HE2 LYS A 121 2.079 6.045 -10.639 1.00 0.00 H new ATOM 0 HE3 LYS A 121 0.572 5.177 -10.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 1.354 6.115 -12.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 -0.115 6.838 -12.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 1.345 7.679 -12.288 1.00 0.00 H new ATOM 1887 N ARG A 122 1.696 5.945 -4.862 1.00 0.00 N ATOM 1888 CA ARG A 122 3.128 5.728 -4.506 1.00 0.00 C ATOM 1889 C ARG A 122 3.913 5.162 -5.741 1.00 0.00 C ATOM 1890 O ARG A 122 3.351 4.476 -6.602 1.00 0.00 O ATOM 1891 CB ARG A 122 3.249 4.745 -3.309 1.00 0.00 C ATOM 1892 CG ARG A 122 3.131 5.365 -1.896 1.00 0.00 C ATOM 1893 CD ARG A 122 3.581 4.352 -0.827 1.00 0.00 C ATOM 1894 NE ARG A 122 3.712 4.966 0.518 1.00 0.00 N ATOM 1895 CZ ARG A 122 4.307 4.384 1.563 1.00 0.00 C ATOM 1896 NH1 ARG A 122 4.763 3.155 1.559 1.00 0.00 N ATOM 1897 NH2 ARG A 122 4.456 5.082 2.649 1.00 0.00 N ATOM 0 H ARG A 122 1.094 5.145 -4.667 1.00 0.00 H new ATOM 0 HA ARG A 122 3.560 6.686 -4.217 1.00 0.00 H new ATOM 0 HB2 ARG A 122 2.477 3.983 -3.413 1.00 0.00 H new ATOM 0 HB3 ARG A 122 4.211 4.237 -3.380 1.00 0.00 H new ATOM 0 HG2 ARG A 122 3.743 6.265 -1.834 1.00 0.00 H new ATOM 0 HG3 ARG A 122 2.100 5.667 -1.709 1.00 0.00 H new ATOM 0 HD2 ARG A 122 2.862 3.534 -0.781 1.00 0.00 H new ATOM 0 HD3 ARG A 122 4.538 3.920 -1.120 1.00 0.00 H new ATOM 0 HE ARG A 122 3.320 5.898 0.654 1.00 0.00 H new ATOM 0 HH11 ARG A 122 4.673 2.581 0.721 1.00 0.00 H new ATOM 0 HH12 ARG A 122 5.207 2.773 2.394 1.00 0.00 H new ATOM 0 HH21 ARG A 122 4.123 6.045 2.686 1.00 0.00 H new ATOM 0 HH22 ARG A 122 4.906 4.667 3.464 1.00 0.00 H new ATOM 1911 N ILE A 123 5.221 5.458 -5.819 1.00 0.00 N ATOM 1912 CA ILE A 123 6.132 4.922 -6.874 1.00 0.00 C ATOM 1913 C ILE A 123 7.416 4.457 -6.098 1.00 0.00 C ATOM 1914 O ILE A 123 8.204 5.291 -5.634 1.00 0.00 O ATOM 1915 CB ILE A 123 6.419 5.947 -8.037 1.00 0.00 C ATOM 1916 CG1 ILE A 123 5.164 6.457 -8.819 1.00 0.00 C ATOM 1917 CG2 ILE A 123 7.398 5.342 -9.080 1.00 0.00 C ATOM 1918 CD1 ILE A 123 4.462 7.697 -8.232 1.00 0.00 C ATOM 0 H ILE A 123 5.689 6.076 -5.156 1.00 0.00 H new ATOM 0 HA ILE A 123 5.678 4.091 -7.414 1.00 0.00 H new ATOM 0 HB ILE A 123 6.844 6.805 -7.516 1.00 0.00 H new ATOM 0 HG12 ILE A 123 5.465 6.684 -9.842 1.00 0.00 H new ATOM 0 HG13 ILE A 123 4.439 5.645 -8.873 1.00 0.00 H new ATOM 0 HG21 ILE A 123 7.580 6.068 -9.872 1.00 0.00 H new ATOM 0 HG22 ILE A 123 8.341 5.093 -8.593 1.00 0.00 H new ATOM 0 HG23 ILE A 123 6.961 4.440 -9.508 1.00 0.00 H new ATOM 0 HD11 ILE A 123 3.607 7.960 -8.855 1.00 0.00 H new ATOM 0 HD12 ILE A 123 4.120 7.477 -7.221 1.00 0.00 H new ATOM 0 HD13 ILE A 123 5.162 8.532 -8.204 1.00 0.00 H new ATOM 1930 N SER A 124 7.625 3.134 -5.976 1.00 0.00 N ATOM 1931 CA SER A 124 8.757 2.539 -5.205 1.00 0.00 C ATOM 1932 C SER A 124 9.614 1.573 -6.085 1.00 0.00 C ATOM 1933 O SER A 124 9.078 0.779 -6.862 1.00 0.00 O ATOM 1934 CB SER A 124 8.159 1.801 -3.978 1.00 0.00 C ATOM 1935 OG SER A 124 7.465 2.692 -3.098 1.00 0.00 O ATOM 0 H SER A 124 7.018 2.436 -6.407 1.00 0.00 H new ATOM 0 HA SER A 124 9.433 3.329 -4.877 1.00 0.00 H new ATOM 0 HB2 SER A 124 7.475 1.025 -4.321 1.00 0.00 H new ATOM 0 HB3 SER A 124 8.959 1.302 -3.431 1.00 0.00 H new ATOM 0 HG SER A 124 6.546 2.375 -2.970 1.00 0.00 H new ATOM 1941 N LYS A 125 10.956 1.616 -5.973 1.00 0.00 N ATOM 1942 CA LYS A 125 11.862 0.756 -6.786 1.00 0.00 C ATOM 1943 C LYS A 125 12.373 -0.502 -6.013 1.00 0.00 C ATOM 1944 O LYS A 125 12.788 -0.407 -4.856 1.00 0.00 O ATOM 1945 CB LYS A 125 13.008 1.664 -7.297 1.00 0.00 C ATOM 1946 CG LYS A 125 13.984 0.936 -8.251 1.00 0.00 C ATOM 1947 CD LYS A 125 14.777 1.883 -9.173 1.00 0.00 C ATOM 1948 CE LYS A 125 15.336 1.197 -10.436 1.00 0.00 C ATOM 1949 NZ LYS A 125 16.397 0.201 -10.108 1.00 0.00 N ATOM 0 H LYS A 125 11.445 2.236 -5.328 1.00 0.00 H new ATOM 0 HA LYS A 125 11.317 0.331 -7.629 1.00 0.00 H new ATOM 0 HB2 LYS A 125 12.579 2.523 -7.813 1.00 0.00 H new ATOM 0 HB3 LYS A 125 13.565 2.050 -6.443 1.00 0.00 H new ATOM 0 HG2 LYS A 125 14.686 0.349 -7.659 1.00 0.00 H new ATOM 0 HG3 LYS A 125 13.420 0.234 -8.865 1.00 0.00 H new ATOM 0 HD2 LYS A 125 14.131 2.707 -9.474 1.00 0.00 H new ATOM 0 HD3 LYS A 125 15.604 2.316 -8.610 1.00 0.00 H new ATOM 0 HE2 LYS A 125 14.525 0.700 -10.968 1.00 0.00 H new ATOM 0 HE3 LYS A 125 15.743 1.952 -11.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 16.745 -0.237 -10.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 17.183 0.679 -9.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 16.003 -0.534 -9.487 1.00 0.00 H new ATOM 1963 N ARG A 126 12.419 -1.663 -6.697 1.00 0.00 N ATOM 1964 CA ARG A 126 12.862 -2.954 -6.107 1.00 0.00 C ATOM 1965 C ARG A 126 14.339 -2.986 -5.607 1.00 0.00 C ATOM 1966 O ARG A 126 15.283 -2.718 -6.359 1.00 0.00 O ATOM 1967 CB ARG A 126 12.623 -4.026 -7.199 1.00 0.00 C ATOM 1968 CG ARG A 126 12.581 -5.485 -6.694 1.00 0.00 C ATOM 1969 CD ARG A 126 12.395 -6.440 -7.881 1.00 0.00 C ATOM 1970 NE ARG A 126 11.997 -7.805 -7.457 1.00 0.00 N ATOM 1971 CZ ARG A 126 11.586 -8.758 -8.294 1.00 0.00 C ATOM 1972 NH1 ARG A 126 11.590 -8.649 -9.605 1.00 0.00 N ATOM 1973 NH2 ARG A 126 11.152 -9.865 -7.772 1.00 0.00 N ATOM 0 H ARG A 126 12.150 -1.738 -7.678 1.00 0.00 H new ATOM 0 HA ARG A 126 12.287 -3.135 -5.199 1.00 0.00 H new ATOM 0 HB2 ARG A 126 11.681 -3.806 -7.701 1.00 0.00 H new ATOM 0 HB3 ARG A 126 13.411 -3.940 -7.947 1.00 0.00 H new ATOM 0 HG2 ARG A 126 13.504 -5.723 -6.165 1.00 0.00 H new ATOM 0 HG3 ARG A 126 11.764 -5.610 -5.983 1.00 0.00 H new ATOM 0 HD2 ARG A 126 11.637 -6.036 -8.552 1.00 0.00 H new ATOM 0 HD3 ARG A 126 13.325 -6.496 -8.447 1.00 0.00 H new ATOM 0 HE ARG A 126 12.041 -8.028 -6.463 1.00 0.00 H new ATOM 0 HH11 ARG A 126 11.924 -7.791 -10.044 1.00 0.00 H new ATOM 0 HH12 ARG A 126 11.260 -9.422 -10.182 1.00 0.00 H new ATOM 0 HH21 ARG A 126 11.135 -9.979 -6.759 1.00 0.00 H new ATOM 0 HH22 ARG A 126 10.828 -10.621 -8.375 1.00 0.00 H new ATOM 1987 N ILE A 127 14.494 -3.311 -4.320 1.00 0.00 N ATOM 1988 CA ILE A 127 15.803 -3.421 -3.624 1.00 0.00 C ATOM 1989 C ILE A 127 15.819 -4.771 -2.815 1.00 0.00 C ATOM 1990 O ILE A 127 16.923 -5.171 -2.382 1.00 0.00 O ATOM 1991 CB ILE A 127 16.062 -2.062 -2.850 1.00 0.00 C ATOM 1992 CG1 ILE A 127 16.557 -0.942 -3.818 1.00 0.00 C ATOM 1993 CG2 ILE A 127 16.990 -2.180 -1.621 1.00 0.00 C ATOM 1994 CD1 ILE A 127 16.693 0.476 -3.240 1.00 0.00 C ATOM 1995 OXT ILE A 127 14.777 -5.455 -2.629 1.00 0.00 O ATOM 0 H ILE A 127 13.702 -3.512 -3.709 1.00 0.00 H new ATOM 0 HA ILE A 127 16.670 -3.511 -4.279 1.00 0.00 H new ATOM 0 HB ILE A 127 15.089 -1.783 -2.447 1.00 0.00 H new ATOM 0 HG12 ILE A 127 17.528 -1.241 -4.212 1.00 0.00 H new ATOM 0 HG13 ILE A 127 15.870 -0.898 -4.663 1.00 0.00 H new ATOM 0 HG21 ILE A 127 17.107 -1.200 -1.158 1.00 0.00 H new ATOM 0 HG22 ILE A 127 16.554 -2.872 -0.901 1.00 0.00 H new ATOM 0 HG23 ILE A 127 17.965 -2.551 -1.936 1.00 0.00 H new ATOM 0 HD11 ILE A 127 17.045 1.154 -4.018 1.00 0.00 H new ATOM 0 HD12 ILE A 127 15.723 0.815 -2.875 1.00 0.00 H new ATOM 0 HD13 ILE A 127 17.407 0.466 -2.417 1.00 0.00 H new TER 2007 ILE A 127 HETATM 2008 C1 OLA A 128 5.941 10.129 14.489 1.00 0.00 C HETATM 2009 O1 OLA A 128 5.819 11.117 15.248 1.00 0.00 O HETATM 2010 O2 OLA A 128 6.993 9.906 13.850 1.00 0.00 O HETATM 2011 C2 OLA A 128 4.716 9.265 14.225 1.00 0.00 C HETATM 2012 C3 OLA A 128 3.935 9.577 12.928 1.00 0.00 C HETATM 2013 C4 OLA A 128 4.568 9.013 11.643 1.00 0.00 C HETATM 2014 C5 OLA A 128 3.784 9.347 10.359 1.00 0.00 C HETATM 2015 C6 OLA A 128 2.453 8.584 10.219 1.00 0.00 C HETATM 2016 C7 OLA A 128 1.733 8.889 8.894 1.00 0.00 C HETATM 2017 C8 OLA A 128 0.385 8.150 8.800 1.00 0.00 C HETATM 2018 C9 OLA A 128 -0.348 8.491 7.521 1.00 0.00 C HETATM 2019 C10 OLA A 128 -0.363 7.791 6.381 1.00 0.00 C HETATM 2020 C11 OLA A 128 0.348 6.480 6.098 1.00 0.00 C HETATM 2021 C12 OLA A 128 -0.024 5.898 4.722 1.00 0.00 C HETATM 2022 C13 OLA A 128 0.636 4.544 4.406 1.00 0.00 C HETATM 2023 C14 OLA A 128 0.344 4.134 2.951 1.00 0.00 C HETATM 2024 C15 OLA A 128 0.944 2.777 2.549 1.00 0.00 C HETATM 2025 C16 OLA A 128 0.655 2.455 1.069 1.00 0.00 C HETATM 2026 C17 OLA A 128 1.375 1.197 0.552 1.00 0.00 C HETATM 2027 C18 OLA A 128 0.697 -0.119 0.956 1.00 0.00 C HETATM 0 H183 OLA A 128 0.662 -0.192 2.043 1.00 0.00 H new HETATM 0 H182 OLA A 128 -0.318 -0.143 0.558 1.00 0.00 H new HETATM 0 H181 OLA A 128 1.264 -0.959 0.554 1.00 0.00 H new HETATM 0 H172 OLA A 128 1.433 1.245 -0.535 1.00 0.00 H new HETATM 0 H171 OLA A 128 2.399 1.197 0.927 1.00 0.00 H new HETATM 0 H162 OLA A 128 -0.419 2.326 0.939 1.00 0.00 H new HETATM 0 H161 OLA A 128 0.950 3.308 0.458 1.00 0.00 H new HETATM 0 H152 OLA A 128 2.021 2.788 2.718 1.00 0.00 H new HETATM 0 H151 OLA A 128 0.530 1.992 3.182 1.00 0.00 H new HETATM 0 H142 OLA A 128 -0.736 4.100 2.804 1.00 0.00 H new HETATM 0 H141 OLA A 128 0.732 4.903 2.283 1.00 0.00 H new HETATM 0 H132 OLA A 128 1.713 4.611 4.563 1.00 0.00 H new HETATM 0 H131 OLA A 128 0.261 3.781 5.088 1.00 0.00 H new HETATM 0 H122 OLA A 128 -1.107 5.782 4.671 1.00 0.00 H new HETATM 0 H121 OLA A 128 0.257 6.614 3.950 1.00 0.00 H new HETATM 0 H112 OLA A 128 1.426 6.636 6.144 1.00 0.00 H new HETATM 0 H111 OLA A 128 0.097 5.758 6.875 1.00 0.00 H new HETATM 0 HO2 OLA A 128 7.760 10.254 14.351 1.00 0.00 H new HETATM 0 H9 OLA A 128 -0.930 9.412 7.529 1.00 0.00 H new HETATM 0 H82 OLA A 128 0.555 7.074 8.847 1.00 0.00 H new HETATM 0 H81 OLA A 128 -0.235 8.413 9.657 1.00 0.00 H new HETATM 0 H72 OLA A 128 1.567 9.963 8.808 1.00 0.00 H new HETATM 0 H71 OLA A 128 2.368 8.597 8.058 1.00 0.00 H new HETATM 0 H62 OLA A 128 2.644 7.513 10.287 1.00 0.00 H new HETATM 0 H61 OLA A 128 1.800 8.845 11.052 1.00 0.00 H new HETATM 0 H52 OLA A 128 3.581 10.418 10.338 1.00 0.00 H new HETATM 0 H51 OLA A 128 4.411 9.125 9.495 1.00 0.00 H new HETATM 0 H42 OLA A 128 5.582 9.402 11.549 1.00 0.00 H new HETATM 0 H41 OLA A 128 4.649 7.930 11.735 1.00 0.00 H new HETATM 0 H32 OLA A 128 2.925 9.179 13.024 1.00 0.00 H new HETATM 0 H31 OLA A 128 3.843 10.658 12.827 1.00 0.00 H new HETATM 0 H22 OLA A 128 5.031 8.222 14.194 1.00 0.00 H new HETATM 0 H21 OLA A 128 4.035 9.367 15.070 1.00 0.00 H new HETATM 0 H10 OLA A 128 -0.952 8.209 5.564 1.00 0.00 H new HETATM 2061 C1 OLA A 129 4.743 1.228 -1.877 1.00 0.00 C HETATM 2062 O1 OLA A 129 4.842 1.484 -0.653 1.00 0.00 O HETATM 2063 O2 OLA A 129 5.234 1.993 -2.732 1.00 0.00 O HETATM 2064 C2 OLA A 129 4.497 -0.211 -2.314 1.00 0.00 C HETATM 2065 C3 OLA A 129 3.364 -0.947 -1.568 1.00 0.00 C HETATM 2066 C4 OLA A 129 3.336 -2.455 -1.874 1.00 0.00 C HETATM 2067 C5 OLA A 129 2.232 -3.243 -1.131 1.00 0.00 C HETATM 2068 C6 OLA A 129 0.822 -3.044 -1.714 1.00 0.00 C HETATM 2069 C7 OLA A 129 -0.288 -3.696 -0.874 1.00 0.00 C HETATM 2070 C8 OLA A 129 -1.669 -3.505 -1.533 1.00 0.00 C HETATM 2071 C9 OLA A 129 -2.807 -4.018 -0.677 1.00 0.00 C HETATM 2072 C10 OLA A 129 -3.432 -3.364 0.312 1.00 0.00 C HETATM 2073 C11 OLA A 129 -3.144 -1.974 0.851 1.00 0.00 C HETATM 2074 C12 OLA A 129 -2.489 -2.022 2.248 1.00 0.00 C HETATM 2075 C13 OLA A 129 -2.417 -0.640 2.925 1.00 0.00 C HETATM 2076 C14 OLA A 129 -1.926 -0.716 4.386 1.00 0.00 C HETATM 2077 C15 OLA A 129 -1.785 0.635 5.128 1.00 0.00 C HETATM 2078 C16 OLA A 129 -3.051 1.523 5.186 1.00 0.00 C HETATM 2079 C17 OLA A 129 -3.087 2.629 4.113 1.00 0.00 C HETATM 2080 C18 OLA A 129 -4.449 3.327 4.011 1.00 0.00 C HETATM 0 H183 OLA A 129 -5.215 2.595 3.755 1.00 0.00 H new HETATM 0 H182 OLA A 129 -4.694 3.788 4.968 1.00 0.00 H new HETATM 0 H181 OLA A 129 -4.408 4.094 3.238 1.00 0.00 H new HETATM 0 H172 OLA A 129 -2.322 3.371 4.340 1.00 0.00 H new HETATM 0 H171 OLA A 129 -2.834 2.196 3.145 1.00 0.00 H new HETATM 0 H162 OLA A 129 -3.932 0.891 5.072 1.00 0.00 H new HETATM 0 H161 OLA A 129 -3.115 1.984 6.172 1.00 0.00 H new HETATM 0 H152 OLA A 129 -1.463 0.432 6.149 1.00 0.00 H new HETATM 0 H151 OLA A 129 -0.989 1.206 4.650 1.00 0.00 H new HETATM 0 H142 OLA A 129 -2.616 -1.345 4.948 1.00 0.00 H new HETATM 0 H141 OLA A 129 -0.958 -1.216 4.397 1.00 0.00 H new HETATM 0 H132 OLA A 129 -1.748 0.005 2.355 1.00 0.00 H new HETATM 0 H131 OLA A 129 -3.403 -0.177 2.901 1.00 0.00 H new HETATM 0 H122 OLA A 129 -3.053 -2.704 2.885 1.00 0.00 H new HETATM 0 H121 OLA A 129 -1.482 -2.429 2.158 1.00 0.00 H new HETATM 0 H112 OLA A 129 -2.487 -1.446 0.160 1.00 0.00 H new HETATM 0 H111 OLA A 129 -4.073 -1.406 0.905 1.00 0.00 H new HETATM 0 HO2 OLA A 129 4.929 1.726 -3.624 1.00 0.00 H new HETATM 0 H9 OLA A 129 -3.156 -5.029 -0.888 1.00 0.00 H new HETATM 0 H82 OLA A 129 -1.824 -2.446 -1.738 1.00 0.00 H new HETATM 0 H81 OLA A 129 -1.682 -4.021 -2.493 1.00 0.00 H new HETATM 0 H72 OLA A 129 -0.082 -4.760 -0.757 1.00 0.00 H new HETATM 0 H71 OLA A 129 -0.295 -3.261 0.125 1.00 0.00 H new HETATM 0 H62 OLA A 129 0.621 -1.976 -1.801 1.00 0.00 H new HETATM 0 H61 OLA A 129 0.793 -3.457 -2.722 1.00 0.00 H new HETATM 0 H52 OLA A 129 2.478 -4.305 -1.156 1.00 0.00 H new HETATM 0 H51 OLA A 129 2.227 -2.942 -0.084 1.00 0.00 H new HETATM 0 H42 OLA A 129 3.202 -2.592 -2.947 1.00 0.00 H new HETATM 0 H41 OLA A 129 4.305 -2.883 -1.616 1.00 0.00 H new HETATM 0 H32 OLA A 129 3.485 -0.800 -0.495 1.00 0.00 H new HETATM 0 H31 OLA A 129 2.406 -0.506 -1.844 1.00 0.00 H new HETATM 0 H22 OLA A 129 4.269 -0.215 -3.380 1.00 0.00 H new HETATM 0 H21 OLA A 129 5.421 -0.775 -2.184 1.00 0.00 H new HETATM 0 H10 OLA A 129 -4.252 -3.899 0.791 1.00 0.00 H new