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= 0.51! 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= 0.996 USER MOD Set 4.2: A 99 LYS NZ :NH3+ -173:sc= 1.86 (180deg=0.554) USER MOD Set 5.1: A 81 THR OG1 : rot -56:sc= 1.2 USER MOD Set 5.2: A 93 THR OG1 : rot 50:sc= 2.22 USER MOD Set 6.1: A 47 HIS : no HD1:sc= 0 X(o=0,f=-0.32) 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= 0.981 K(o=2.1,f=-4.1) 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= 0.709 USER MOD Single : A 4 SER OG : rot 180:sc= 0.0807 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= -0.0217 USER MOD Single : A 8 GLN : amide:sc= 0.865 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= 0.456 X(o=0.46,f=0) USER MOD Single : A 19 MET CE :methyl 142:sc= -0.0328 (180deg=-0.977) USER MOD Single : A 20 LYS NZ :NH3+ -161:sc= 2.08 (180deg=1.34) 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= 1.24 (180deg=-0.406!) USER MOD Single : A 39 SER OG : rot -158:sc= 0.939 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= 1.29 (180deg=0.887) USER MOD Single : A 49 LYS NZ :NH3+ -146:sc= 1.09 (180deg=-0.535!) 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= 1.18 (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=-0.53) USER MOD Single : A 69 CYS SG : rot 43: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=-0.00303!) USER MOD Single : A 84 GLN : amide:sc= -0.484 X(o=-0.48,f=-0.0037) USER MOD Single : A 89 ASN : amide:sc= 0.471 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+ 162:sc= 1.13 (180deg=0.309) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 ASN : amide:sc= 0.774 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= -0.0033 USER MOD Single : A 114 THR OG1 : rot -60:sc= 0.832 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 6.696 -10.493 -10.875 1.00 0.00 N ATOM 2 CA SER A 2 7.537 -11.021 -9.774 1.00 0.00 C ATOM 3 C SER A 2 7.554 -10.020 -8.584 1.00 0.00 C ATOM 4 O SER A 2 8.291 -9.029 -8.578 1.00 0.00 O ATOM 5 CB SER A 2 8.941 -11.315 -10.343 1.00 0.00 C ATOM 6 OG SER A 2 9.796 -11.880 -9.348 1.00 0.00 O ATOM 0 HA SER A 2 7.131 -11.951 -9.376 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.858 -12.001 -11.186 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.382 -10.394 -10.724 1.00 0.00 H new ATOM 0 HG SER A 2 10.678 -12.057 -9.737 1.00 0.00 H new ATOM 13 N PHE A 3 6.759 -10.317 -7.551 1.00 0.00 N ATOM 14 CA PHE A 3 6.587 -9.430 -6.360 1.00 0.00 C ATOM 15 C PHE A 3 7.574 -9.606 -5.159 1.00 0.00 C ATOM 16 O PHE A 3 7.460 -8.844 -4.198 1.00 0.00 O ATOM 17 CB PHE A 3 5.102 -9.541 -5.902 1.00 0.00 C ATOM 18 CG PHE A 3 4.092 -8.794 -6.786 1.00 0.00 C ATOM 19 CD1 PHE A 3 3.786 -7.454 -6.525 1.00 0.00 C ATOM 20 CD2 PHE A 3 3.449 -9.454 -7.839 1.00 0.00 C ATOM 21 CE1 PHE A 3 2.850 -6.784 -7.308 1.00 0.00 C ATOM 22 CE2 PHE A 3 2.497 -8.787 -8.602 1.00 0.00 C ATOM 23 CZ PHE A 3 2.197 -7.455 -8.335 1.00 0.00 C ATOM 0 H PHE A 3 6.210 -11.175 -7.502 1.00 0.00 H new ATOM 0 HA PHE A 3 6.854 -8.430 -6.701 1.00 0.00 H new ATOM 0 HB2 PHE A 3 4.825 -10.595 -5.871 1.00 0.00 H new ATOM 0 HB3 PHE A 3 5.022 -9.160 -4.884 1.00 0.00 H new ATOM 0 HD1 PHE A 3 4.277 -6.938 -5.714 1.00 0.00 H new ATOM 0 HD2 PHE A 3 3.692 -10.483 -8.059 1.00 0.00 H new ATOM 0 HE1 PHE A 3 2.632 -5.744 -7.117 1.00 0.00 H new ATOM 0 HE2 PHE A 3 1.990 -9.304 -9.403 1.00 0.00 H new ATOM 0 HZ PHE A 3 1.455 -6.941 -8.927 1.00 0.00 H new ATOM 33 N SER A 4 8.544 -10.540 -5.171 1.00 0.00 N ATOM 34 CA SER A 4 9.502 -10.714 -4.042 1.00 0.00 C ATOM 35 C SER A 4 10.609 -9.605 -4.015 1.00 0.00 C ATOM 36 O SER A 4 11.390 -9.472 -4.966 1.00 0.00 O ATOM 37 CB SER A 4 10.090 -12.143 -4.090 1.00 0.00 C ATOM 38 OG SER A 4 9.084 -13.114 -3.785 1.00 0.00 O ATOM 0 H SER A 4 8.692 -11.188 -5.944 1.00 0.00 H new ATOM 0 HA SER A 4 8.961 -10.592 -3.103 1.00 0.00 H new ATOM 0 HB2 SER A 4 10.503 -12.339 -5.079 1.00 0.00 H new ATOM 0 HB3 SER A 4 10.912 -12.228 -3.379 1.00 0.00 H new ATOM 0 HG SER A 4 9.474 -14.012 -3.822 1.00 0.00 H new ATOM 44 N GLY A 5 10.665 -8.810 -2.930 1.00 0.00 N ATOM 45 CA GLY A 5 11.660 -7.716 -2.785 1.00 0.00 C ATOM 46 C GLY A 5 11.352 -6.699 -1.659 1.00 0.00 C ATOM 47 O GLY A 5 10.259 -6.651 -1.088 1.00 0.00 O ATOM 0 H GLY A 5 10.033 -8.901 -2.135 1.00 0.00 H new ATOM 0 HA2 GLY A 5 12.639 -8.157 -2.598 1.00 0.00 H new ATOM 0 HA3 GLY A 5 11.728 -7.179 -3.731 1.00 0.00 H new ATOM 51 N LYS A 6 12.356 -5.867 -1.364 1.00 0.00 N ATOM 52 CA LYS A 6 12.265 -4.754 -0.373 1.00 0.00 C ATOM 53 C LYS A 6 12.240 -3.420 -1.184 1.00 0.00 C ATOM 54 O LYS A 6 13.268 -2.787 -1.419 1.00 0.00 O ATOM 55 CB LYS A 6 13.488 -4.840 0.578 1.00 0.00 C ATOM 56 CG LYS A 6 13.500 -6.023 1.576 1.00 0.00 C ATOM 57 CD LYS A 6 14.820 -6.081 2.377 1.00 0.00 C ATOM 58 CE LYS A 6 14.967 -7.299 3.312 1.00 0.00 C ATOM 59 NZ LYS A 6 14.089 -7.192 4.510 1.00 0.00 N ATOM 0 H LYS A 6 13.273 -5.936 -1.805 1.00 0.00 H new ATOM 0 HA LYS A 6 11.367 -4.812 0.242 1.00 0.00 H new ATOM 0 HB2 LYS A 6 14.391 -4.897 -0.030 1.00 0.00 H new ATOM 0 HB3 LYS A 6 13.545 -3.912 1.147 1.00 0.00 H new ATOM 0 HG2 LYS A 6 12.660 -5.927 2.264 1.00 0.00 H new ATOM 0 HG3 LYS A 6 13.362 -6.958 1.034 1.00 0.00 H new ATOM 0 HD2 LYS A 6 15.653 -6.080 1.674 1.00 0.00 H new ATOM 0 HD3 LYS A 6 14.905 -5.173 2.974 1.00 0.00 H new ATOM 0 HE2 LYS A 6 14.723 -8.209 2.763 1.00 0.00 H new ATOM 0 HE3 LYS A 6 16.006 -7.388 3.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 14.219 -8.030 5.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 14.339 -6.338 5.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 13.096 -7.133 4.208 1.00 0.00 H new ATOM 73 N TYR A 7 11.054 -2.977 -1.613 1.00 0.00 N ATOM 74 CA TYR A 7 10.906 -1.850 -2.576 1.00 0.00 C ATOM 75 C TYR A 7 10.988 -0.456 -1.879 1.00 0.00 C ATOM 76 O TYR A 7 10.056 -0.067 -1.171 1.00 0.00 O ATOM 77 CB TYR A 7 9.559 -2.011 -3.361 1.00 0.00 C ATOM 78 CG TYR A 7 9.311 -3.295 -4.192 1.00 0.00 C ATOM 79 CD1 TYR A 7 8.957 -4.493 -3.557 1.00 0.00 C ATOM 80 CD2 TYR A 7 9.378 -3.266 -5.590 1.00 0.00 C ATOM 81 CE1 TYR A 7 8.748 -5.652 -4.298 1.00 0.00 C ATOM 82 CE2 TYR A 7 9.143 -4.423 -6.334 1.00 0.00 C ATOM 83 CZ TYR A 7 8.854 -5.620 -5.684 1.00 0.00 C ATOM 84 OH TYR A 7 8.730 -6.785 -6.391 1.00 0.00 O ATOM 0 H TYR A 7 10.166 -3.378 -1.312 1.00 0.00 H new ATOM 0 HA TYR A 7 11.741 -1.890 -3.275 1.00 0.00 H new ATOM 0 HB2 TYR A 7 8.747 -1.927 -2.638 1.00 0.00 H new ATOM 0 HB3 TYR A 7 9.472 -1.161 -4.038 1.00 0.00 H new ATOM 0 HD1 TYR A 7 8.845 -4.517 -2.483 1.00 0.00 H new ATOM 0 HD2 TYR A 7 9.613 -2.342 -6.096 1.00 0.00 H new ATOM 0 HE1 TYR A 7 8.503 -6.577 -3.796 1.00 0.00 H new ATOM 0 HE2 TYR A 7 9.185 -4.390 -7.413 1.00 0.00 H new ATOM 0 HH TYR A 7 9.480 -6.870 -7.016 1.00 0.00 H new ATOM 94 N GLN A 8 12.079 0.314 -2.065 1.00 0.00 N ATOM 95 CA GLN A 8 12.206 1.661 -1.437 1.00 0.00 C ATOM 96 C GLN A 8 11.416 2.781 -2.194 1.00 0.00 C ATOM 97 O GLN A 8 11.485 2.908 -3.422 1.00 0.00 O ATOM 98 CB GLN A 8 13.695 2.028 -1.226 1.00 0.00 C ATOM 99 CG GLN A 8 13.893 3.182 -0.206 1.00 0.00 C ATOM 100 CD GLN A 8 15.329 3.639 0.039 1.00 0.00 C ATOM 101 OE1 GLN A 8 16.305 3.195 -0.557 1.00 0.00 O ATOM 102 NE2 GLN A 8 15.490 4.578 0.936 1.00 0.00 N ATOM 0 H GLN A 8 12.879 0.039 -2.635 1.00 0.00 H new ATOM 0 HA GLN A 8 11.732 1.598 -0.458 1.00 0.00 H new ATOM 0 HB2 GLN A 8 14.236 1.147 -0.880 1.00 0.00 H new ATOM 0 HB3 GLN A 8 14.132 2.316 -2.182 1.00 0.00 H new ATOM 0 HG2 GLN A 8 13.316 4.041 -0.547 1.00 0.00 H new ATOM 0 HG3 GLN A 8 13.467 2.870 0.748 1.00 0.00 H new ATOM 0 HE21 GLN A 8 14.682 4.951 1.435 1.00 0.00 H new ATOM 0 HE22 GLN A 8 16.423 4.937 1.137 1.00 0.00 H new ATOM 111 N LEU A 9 10.708 3.623 -1.422 1.00 0.00 N ATOM 112 CA LEU A 9 9.866 4.725 -1.951 1.00 0.00 C ATOM 113 C LEU A 9 10.677 5.888 -2.600 1.00 0.00 C ATOM 114 O LEU A 9 11.654 6.391 -2.041 1.00 0.00 O ATOM 115 CB LEU A 9 8.940 5.191 -0.791 1.00 0.00 C ATOM 116 CG LEU A 9 7.922 6.326 -1.093 1.00 0.00 C ATOM 117 CD1 LEU A 9 6.900 5.948 -2.179 1.00 0.00 C ATOM 118 CD2 LEU A 9 7.181 6.713 0.194 1.00 0.00 C ATOM 0 H LEU A 9 10.700 3.563 -0.404 1.00 0.00 H new ATOM 0 HA LEU A 9 9.268 4.357 -2.785 1.00 0.00 H new ATOM 0 HB2 LEU A 9 8.381 4.324 -0.438 1.00 0.00 H new ATOM 0 HB3 LEU A 9 9.573 5.519 0.033 1.00 0.00 H new ATOM 0 HG LEU A 9 8.496 7.170 -1.474 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.218 6.782 -2.343 1.00 0.00 H new ATOM 0 HD12 LEU A 9 7.423 5.719 -3.107 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.333 5.074 -1.857 1.00 0.00 H new ATOM 0 HD21 LEU A 9 6.468 7.509 -0.022 1.00 0.00 H new ATOM 0 HD22 LEU A 9 6.649 5.845 0.582 1.00 0.00 H new ATOM 0 HD23 LEU A 9 7.899 7.061 0.937 1.00 0.00 H new ATOM 130 N GLN A 10 10.228 6.310 -3.789 1.00 0.00 N ATOM 131 CA GLN A 10 10.853 7.409 -4.569 1.00 0.00 C ATOM 132 C GLN A 10 9.905 8.642 -4.654 1.00 0.00 C ATOM 133 O GLN A 10 10.257 9.715 -4.159 1.00 0.00 O ATOM 134 CB GLN A 10 11.266 6.859 -5.961 1.00 0.00 C ATOM 135 CG GLN A 10 12.343 5.749 -5.946 1.00 0.00 C ATOM 136 CD GLN A 10 13.793 6.207 -5.717 1.00 0.00 C ATOM 137 OE1 GLN A 10 14.097 7.301 -5.237 1.00 0.00 O ATOM 138 NE2 GLN A 10 14.739 5.360 -6.038 1.00 0.00 N ATOM 0 H GLN A 10 9.414 5.901 -4.249 1.00 0.00 H new ATOM 0 HA GLN A 10 11.752 7.765 -4.067 1.00 0.00 H new ATOM 0 HB2 GLN A 10 10.376 6.471 -6.457 1.00 0.00 H new ATOM 0 HB3 GLN A 10 11.633 7.688 -6.566 1.00 0.00 H new ATOM 0 HG2 GLN A 10 12.084 5.032 -5.167 1.00 0.00 H new ATOM 0 HG3 GLN A 10 12.299 5.217 -6.896 1.00 0.00 H new ATOM 0 HE21 GLN A 10 14.497 4.452 -6.436 1.00 0.00 H new ATOM 0 HE22 GLN A 10 15.717 5.608 -5.890 1.00 0.00 H new ATOM 147 N SER A 11 8.728 8.493 -5.289 1.00 0.00 N ATOM 148 CA SER A 11 7.714 9.579 -5.403 1.00 0.00 C ATOM 149 C SER A 11 6.366 9.176 -4.718 1.00 0.00 C ATOM 150 O SER A 11 5.896 8.039 -4.829 1.00 0.00 O ATOM 151 CB SER A 11 7.559 9.924 -6.901 1.00 0.00 C ATOM 152 OG SER A 11 6.645 11.003 -7.100 1.00 0.00 O ATOM 0 H SER A 11 8.445 7.622 -5.739 1.00 0.00 H new ATOM 0 HA SER A 11 8.043 10.471 -4.870 1.00 0.00 H new ATOM 0 HB2 SER A 11 8.531 10.189 -7.317 1.00 0.00 H new ATOM 0 HB3 SER A 11 7.209 9.045 -7.443 1.00 0.00 H new ATOM 0 HG SER A 11 6.571 11.197 -8.058 1.00 0.00 H new ATOM 158 N GLN A 12 5.751 10.128 -3.995 1.00 0.00 N ATOM 159 CA GLN A 12 4.449 9.927 -3.298 1.00 0.00 C ATOM 160 C GLN A 12 3.502 11.089 -3.737 1.00 0.00 C ATOM 161 O GLN A 12 3.758 12.256 -3.425 1.00 0.00 O ATOM 162 CB GLN A 12 4.744 9.852 -1.774 1.00 0.00 C ATOM 163 CG GLN A 12 3.589 9.289 -0.910 1.00 0.00 C ATOM 164 CD GLN A 12 3.930 8.792 0.506 1.00 0.00 C ATOM 165 OE1 GLN A 12 3.512 7.714 0.925 1.00 0.00 O ATOM 166 NE2 GLN A 12 4.640 9.544 1.312 1.00 0.00 N ATOM 0 H GLN A 12 6.136 11.064 -3.871 1.00 0.00 H new ATOM 0 HA GLN A 12 3.938 8.999 -3.557 1.00 0.00 H new ATOM 0 HB2 GLN A 12 5.628 9.232 -1.620 1.00 0.00 H new ATOM 0 HB3 GLN A 12 4.990 10.852 -1.417 1.00 0.00 H new ATOM 0 HG2 GLN A 12 2.829 10.065 -0.819 1.00 0.00 H new ATOM 0 HG3 GLN A 12 3.135 8.462 -1.455 1.00 0.00 H new ATOM 0 HE21 GLN A 12 4.998 10.442 0.988 1.00 0.00 H new ATOM 0 HE22 GLN A 12 4.834 9.230 2.263 1.00 0.00 H new ATOM 175 N GLU A 13 2.421 10.769 -4.473 1.00 0.00 N ATOM 176 CA GLU A 13 1.538 11.783 -5.114 1.00 0.00 C ATOM 177 C GLU A 13 0.479 12.411 -4.141 1.00 0.00 C ATOM 178 O GLU A 13 0.831 13.275 -3.332 1.00 0.00 O ATOM 179 CB GLU A 13 1.015 11.071 -6.398 1.00 0.00 C ATOM 180 CG GLU A 13 0.275 11.944 -7.440 1.00 0.00 C ATOM 181 CD GLU A 13 -0.425 11.109 -8.502 1.00 0.00 C ATOM 182 OE1 GLU A 13 0.240 10.657 -9.459 1.00 0.00 O ATOM 183 OE2 GLU A 13 -1.642 10.872 -8.361 1.00 0.00 O ATOM 0 H GLU A 13 2.129 9.807 -4.644 1.00 0.00 H new ATOM 0 HA GLU A 13 2.057 12.699 -5.395 1.00 0.00 H new ATOM 0 HB2 GLU A 13 1.865 10.601 -6.893 1.00 0.00 H new ATOM 0 HB3 GLU A 13 0.343 10.270 -6.090 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -0.459 12.569 -6.931 1.00 0.00 H new ATOM 0 HG3 GLU A 13 0.988 12.615 -7.920 1.00 0.00 H new ATOM 190 N ASN A 14 -0.800 11.989 -4.175 1.00 0.00 N ATOM 191 CA ASN A 14 -1.881 12.604 -3.349 1.00 0.00 C ATOM 192 C ASN A 14 -1.943 12.099 -1.868 1.00 0.00 C ATOM 193 O ASN A 14 -2.945 11.538 -1.416 1.00 0.00 O ATOM 194 CB ASN A 14 -3.226 12.429 -4.111 1.00 0.00 C ATOM 195 CG ASN A 14 -3.450 13.345 -5.316 1.00 0.00 C ATOM 196 OD1 ASN A 14 -3.647 14.546 -5.174 1.00 0.00 O ATOM 197 ND2 ASN A 14 -3.456 12.830 -6.522 1.00 0.00 N ATOM 0 H ASN A 14 -1.120 11.222 -4.766 1.00 0.00 H new ATOM 0 HA ASN A 14 -1.656 13.663 -3.227 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -3.294 11.395 -4.450 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -4.041 12.587 -3.405 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -3.624 13.428 -7.331 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -3.293 11.831 -6.651 1.00 0.00 H new ATOM 204 N PHE A 15 -0.876 12.350 -1.091 1.00 0.00 N ATOM 205 CA PHE A 15 -0.836 12.029 0.368 1.00 0.00 C ATOM 206 C PHE A 15 -1.663 13.063 1.214 1.00 0.00 C ATOM 207 O PHE A 15 -2.602 12.667 1.909 1.00 0.00 O ATOM 208 CB PHE A 15 0.656 11.880 0.774 1.00 0.00 C ATOM 209 CG PHE A 15 0.906 11.226 2.142 1.00 0.00 C ATOM 210 CD1 PHE A 15 0.937 12.007 3.298 1.00 0.00 C ATOM 211 CD2 PHE A 15 1.185 9.859 2.236 1.00 0.00 C ATOM 212 CE1 PHE A 15 1.261 11.432 4.524 1.00 0.00 C ATOM 213 CE2 PHE A 15 1.527 9.290 3.459 1.00 0.00 C ATOM 214 CZ PHE A 15 1.562 10.077 4.604 1.00 0.00 C ATOM 0 H PHE A 15 -0.018 12.777 -1.441 1.00 0.00 H new ATOM 0 HA PHE A 15 -1.332 11.083 0.583 1.00 0.00 H new ATOM 0 HB2 PHE A 15 1.165 11.292 0.011 1.00 0.00 H new ATOM 0 HB3 PHE A 15 1.115 12.869 0.774 1.00 0.00 H new ATOM 0 HD1 PHE A 15 0.709 13.061 3.242 1.00 0.00 H new ATOM 0 HD2 PHE A 15 1.135 9.240 1.352 1.00 0.00 H new ATOM 0 HE1 PHE A 15 1.279 12.041 5.416 1.00 0.00 H new ATOM 0 HE2 PHE A 15 1.765 8.238 3.518 1.00 0.00 H new ATOM 0 HZ PHE A 15 1.823 9.636 5.555 1.00 0.00 H new ATOM 224 N GLU A 16 -1.345 14.373 1.119 1.00 0.00 N ATOM 225 CA GLU A 16 -2.115 15.478 1.771 1.00 0.00 C ATOM 226 C GLU A 16 -3.661 15.485 1.505 1.00 0.00 C ATOM 227 O GLU A 16 -4.451 15.548 2.453 1.00 0.00 O ATOM 228 CB GLU A 16 -1.440 16.824 1.353 1.00 0.00 C ATOM 229 CG GLU A 16 -0.309 17.327 2.288 1.00 0.00 C ATOM 230 CD GLU A 16 -0.827 18.064 3.509 1.00 0.00 C ATOM 231 OE1 GLU A 16 -1.258 19.229 3.374 1.00 0.00 O ATOM 232 OE2 GLU A 16 -0.887 17.479 4.608 1.00 0.00 O ATOM 0 H GLU A 16 -0.542 14.705 0.585 1.00 0.00 H new ATOM 0 HA GLU A 16 -2.067 15.321 2.849 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.032 16.708 0.349 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.210 17.594 1.297 1.00 0.00 H new ATOM 0 HG2 GLU A 16 0.291 16.477 2.612 1.00 0.00 H new ATOM 0 HG3 GLU A 16 0.352 17.987 1.726 1.00 0.00 H new ATOM 239 N ALA A 17 -4.084 15.395 0.228 1.00 0.00 N ATOM 240 CA ALA A 17 -5.517 15.284 -0.151 1.00 0.00 C ATOM 241 C ALA A 17 -6.250 13.984 0.333 1.00 0.00 C ATOM 242 O ALA A 17 -7.400 14.070 0.766 1.00 0.00 O ATOM 243 CB ALA A 17 -5.572 15.466 -1.681 1.00 0.00 C ATOM 0 H ALA A 17 -3.449 15.397 -0.570 1.00 0.00 H new ATOM 0 HA ALA A 17 -6.079 16.058 0.371 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -6.606 15.394 -2.019 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -5.171 16.444 -1.946 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -4.978 14.689 -2.161 1.00 0.00 H new ATOM 249 N PHE A 18 -5.600 12.802 0.284 1.00 0.00 N ATOM 250 CA PHE A 18 -6.183 11.525 0.791 1.00 0.00 C ATOM 251 C PHE A 18 -6.293 11.457 2.341 1.00 0.00 C ATOM 252 O PHE A 18 -7.392 11.218 2.847 1.00 0.00 O ATOM 253 CB PHE A 18 -5.375 10.358 0.160 1.00 0.00 C ATOM 254 CG PHE A 18 -5.921 8.933 0.368 1.00 0.00 C ATOM 255 CD1 PHE A 18 -5.576 8.219 1.521 1.00 0.00 C ATOM 256 CD2 PHE A 18 -6.691 8.306 -0.619 1.00 0.00 C ATOM 257 CE1 PHE A 18 -5.978 6.897 1.679 1.00 0.00 C ATOM 258 CE2 PHE A 18 -7.092 6.982 -0.460 1.00 0.00 C ATOM 259 CZ PHE A 18 -6.733 6.280 0.687 1.00 0.00 C ATOM 0 H PHE A 18 -4.662 12.698 -0.104 1.00 0.00 H new ATOM 0 HA PHE A 18 -7.225 11.450 0.480 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -5.301 10.539 -0.912 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -4.362 10.394 0.560 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -4.993 8.698 2.294 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -6.975 8.851 -1.507 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -5.705 6.351 2.570 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -7.681 6.500 -1.226 1.00 0.00 H new ATOM 0 HZ PHE A 18 -7.042 5.252 0.807 1.00 0.00 H new ATOM 269 N MET A 19 -5.195 11.672 3.089 1.00 0.00 N ATOM 270 CA MET A 19 -5.205 11.639 4.578 1.00 0.00 C ATOM 271 C MET A 19 -6.155 12.695 5.242 1.00 0.00 C ATOM 272 O MET A 19 -6.862 12.340 6.190 1.00 0.00 O ATOM 273 CB MET A 19 -3.749 11.663 5.096 1.00 0.00 C ATOM 274 CG MET A 19 -2.911 10.385 4.865 1.00 0.00 C ATOM 275 SD MET A 19 -2.705 10.037 3.104 1.00 0.00 S ATOM 276 CE MET A 19 -2.298 8.287 3.122 1.00 0.00 C ATOM 0 H MET A 19 -4.278 11.873 2.690 1.00 0.00 H new ATOM 0 HA MET A 19 -5.658 10.700 4.896 1.00 0.00 H new ATOM 0 HB2 MET A 19 -3.233 12.499 4.623 1.00 0.00 H new ATOM 0 HB3 MET A 19 -3.772 11.867 6.167 1.00 0.00 H new ATOM 0 HG2 MET A 19 -1.932 10.501 5.331 1.00 0.00 H new ATOM 0 HG3 MET A 19 -3.396 9.538 5.350 1.00 0.00 H new ATOM 0 HE1 MET A 19 -2.774 7.794 2.274 1.00 0.00 H new ATOM 0 HE2 MET A 19 -1.217 8.164 3.053 1.00 0.00 H new ATOM 0 HE3 MET A 19 -2.656 7.840 4.049 1.00 0.00 H new ATOM 286 N LYS A 20 -6.232 13.950 4.742 1.00 0.00 N ATOM 287 CA LYS A 20 -7.297 14.909 5.167 1.00 0.00 C ATOM 288 C LYS A 20 -8.746 14.451 4.756 1.00 0.00 C ATOM 289 O LYS A 20 -9.642 14.548 5.598 1.00 0.00 O ATOM 290 CB LYS A 20 -6.968 16.354 4.701 1.00 0.00 C ATOM 291 CG LYS A 20 -5.988 17.117 5.629 1.00 0.00 C ATOM 292 CD LYS A 20 -5.813 18.609 5.252 1.00 0.00 C ATOM 293 CE LYS A 20 -4.680 18.910 4.250 1.00 0.00 C ATOM 294 NZ LYS A 20 -3.380 19.022 4.960 1.00 0.00 N ATOM 0 H LYS A 20 -5.582 14.326 4.052 1.00 0.00 H new ATOM 0 HA LYS A 20 -7.302 14.912 6.257 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -6.542 16.312 3.699 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.897 16.920 4.629 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -6.347 17.050 6.656 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -5.015 16.626 5.598 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.751 18.973 4.833 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -5.629 19.177 6.164 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -4.627 18.119 3.502 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -4.893 19.837 3.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -2.699 19.528 4.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.514 19.545 5.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -3.016 18.071 5.170 1.00 0.00 H new ATOM 308 N ALA A 21 -8.996 13.930 3.528 1.00 0.00 N ATOM 309 CA ALA A 21 -10.320 13.350 3.154 1.00 0.00 C ATOM 310 C ALA A 21 -10.803 12.128 4.013 1.00 0.00 C ATOM 311 O ALA A 21 -11.993 12.051 4.326 1.00 0.00 O ATOM 312 CB ALA A 21 -10.270 13.011 1.652 1.00 0.00 C ATOM 0 H ALA A 21 -8.304 13.898 2.780 1.00 0.00 H new ATOM 0 HA ALA A 21 -11.076 14.104 3.373 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.224 12.584 1.343 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -10.077 13.919 1.080 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.473 12.290 1.468 1.00 0.00 H new ATOM 318 N ILE A 22 -9.910 11.196 4.410 1.00 0.00 N ATOM 319 CA ILE A 22 -10.265 10.059 5.327 1.00 0.00 C ATOM 320 C ILE A 22 -10.264 10.402 6.869 1.00 0.00 C ATOM 321 O ILE A 22 -10.636 9.539 7.671 1.00 0.00 O ATOM 322 CB ILE A 22 -9.454 8.751 4.993 1.00 0.00 C ATOM 323 CG1 ILE A 22 -7.923 8.840 5.254 1.00 0.00 C ATOM 324 CG2 ILE A 22 -9.735 8.243 3.555 1.00 0.00 C ATOM 325 CD1 ILE A 22 -7.195 7.491 5.363 1.00 0.00 C ATOM 0 H ILE A 22 -8.933 11.197 4.117 1.00 0.00 H new ATOM 0 HA ILE A 22 -11.315 9.859 5.112 1.00 0.00 H new ATOM 0 HB ILE A 22 -9.830 8.019 5.708 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -7.467 9.416 4.449 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -7.760 9.397 6.176 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -9.155 7.339 3.368 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -10.797 8.021 3.449 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -9.451 9.011 2.836 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -6.134 7.664 5.545 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -7.616 6.916 6.188 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -7.318 6.935 4.433 1.00 0.00 H new ATOM 337 N GLY A 23 -9.856 11.613 7.296 1.00 0.00 N ATOM 338 CA GLY A 23 -9.877 12.040 8.722 1.00 0.00 C ATOM 339 C GLY A 23 -8.605 11.832 9.571 1.00 0.00 C ATOM 340 O GLY A 23 -8.719 11.341 10.696 1.00 0.00 O ATOM 0 H GLY A 23 -9.500 12.330 6.664 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -10.122 13.102 8.747 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -10.694 11.513 9.214 1.00 0.00 H new ATOM 344 N LEU A 24 -7.423 12.240 9.078 1.00 0.00 N ATOM 345 CA LEU A 24 -6.142 12.133 9.838 1.00 0.00 C ATOM 346 C LEU A 24 -5.519 13.527 10.243 1.00 0.00 C ATOM 347 O LEU A 24 -5.818 14.541 9.599 1.00 0.00 O ATOM 348 CB LEU A 24 -5.146 11.221 9.054 1.00 0.00 C ATOM 349 CG LEU A 24 -5.034 9.776 9.610 1.00 0.00 C ATOM 350 CD1 LEU A 24 -6.190 8.881 9.136 1.00 0.00 C ATOM 351 CD2 LEU A 24 -3.687 9.151 9.233 1.00 0.00 C ATOM 0 H LEU A 24 -7.317 12.651 8.151 1.00 0.00 H new ATOM 0 HA LEU A 24 -6.363 11.663 10.796 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.458 11.174 8.011 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.159 11.682 9.070 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.099 9.847 10.696 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.069 7.880 9.550 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.137 9.301 9.474 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.185 8.826 8.047 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.631 8.139 9.633 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.592 9.118 8.148 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.878 9.751 9.650 1.00 0.00 H new ATOM 363 N PRO A 25 -4.632 13.629 11.285 1.00 0.00 N ATOM 364 CA PRO A 25 -4.044 14.924 11.723 1.00 0.00 C ATOM 365 C PRO A 25 -2.891 15.475 10.844 1.00 0.00 C ATOM 366 O PRO A 25 -1.944 14.761 10.504 1.00 0.00 O ATOM 367 CB PRO A 25 -3.515 14.608 13.134 1.00 0.00 C ATOM 368 CG PRO A 25 -3.307 13.094 13.182 1.00 0.00 C ATOM 369 CD PRO A 25 -4.201 12.481 12.108 1.00 0.00 C ATOM 0 HA PRO A 25 -4.798 15.709 11.663 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -2.581 15.136 13.327 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -4.225 14.928 13.897 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -2.262 12.843 13.001 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -3.563 12.701 14.166 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -3.659 11.747 11.512 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -5.055 11.966 12.549 1.00 0.00 H new ATOM 377 N GLU A 26 -2.925 16.789 10.585 1.00 0.00 N ATOM 378 CA GLU A 26 -1.882 17.498 9.798 1.00 0.00 C ATOM 379 C GLU A 26 -0.404 17.376 10.311 1.00 0.00 C ATOM 380 O GLU A 26 0.509 17.276 9.490 1.00 0.00 O ATOM 381 CB GLU A 26 -2.369 18.949 9.611 1.00 0.00 C ATOM 382 CG GLU A 26 -3.636 19.123 8.726 1.00 0.00 C ATOM 383 CD GLU A 26 -3.819 20.505 8.128 1.00 0.00 C ATOM 384 OE1 GLU A 26 -4.402 21.382 8.794 1.00 0.00 O ATOM 385 OE2 GLU A 26 -3.418 20.698 6.960 1.00 0.00 O ATOM 0 H GLU A 26 -3.674 17.400 10.912 1.00 0.00 H new ATOM 0 HA GLU A 26 -1.783 16.993 8.837 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -2.573 19.375 10.594 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.559 19.532 9.173 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -3.596 18.396 7.915 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -4.514 18.884 9.326 1.00 0.00 H new ATOM 392 N GLU A 27 -0.187 17.338 11.640 1.00 0.00 N ATOM 393 CA GLU A 27 1.132 17.027 12.273 1.00 0.00 C ATOM 394 C GLU A 27 1.726 15.632 11.859 1.00 0.00 C ATOM 395 O GLU A 27 2.868 15.576 11.389 1.00 0.00 O ATOM 396 CB GLU A 27 0.921 17.242 13.801 1.00 0.00 C ATOM 397 CG GLU A 27 2.115 16.943 14.750 1.00 0.00 C ATOM 398 CD GLU A 27 2.210 15.520 15.294 1.00 0.00 C ATOM 399 OE1 GLU A 27 1.197 14.989 15.793 1.00 0.00 O ATOM 400 OE2 GLU A 27 3.313 14.936 15.258 1.00 0.00 O ATOM 0 H GLU A 27 -0.924 17.523 12.321 1.00 0.00 H new ATOM 0 HA GLU A 27 1.917 17.692 11.912 1.00 0.00 H new ATOM 0 HB2 GLU A 27 0.624 18.279 13.955 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.082 16.620 14.113 1.00 0.00 H new ATOM 0 HG2 GLU A 27 3.039 17.168 14.217 1.00 0.00 H new ATOM 0 HG3 GLU A 27 2.060 17.629 15.595 1.00 0.00 H new ATOM 407 N LEU A 28 0.960 14.525 11.974 1.00 0.00 N ATOM 408 CA LEU A 28 1.407 13.184 11.482 1.00 0.00 C ATOM 409 C LEU A 28 1.494 13.080 9.911 1.00 0.00 C ATOM 410 O LEU A 28 2.410 12.439 9.387 1.00 0.00 O ATOM 411 CB LEU A 28 0.546 12.040 12.093 1.00 0.00 C ATOM 412 CG LEU A 28 0.331 11.984 13.635 1.00 0.00 C ATOM 413 CD1 LEU A 28 -0.521 10.758 14.013 1.00 0.00 C ATOM 414 CD2 LEU A 28 1.621 11.957 14.471 1.00 0.00 C ATOM 0 H LEU A 28 0.033 14.523 12.399 1.00 0.00 H new ATOM 0 HA LEU A 28 2.431 13.062 11.836 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.438 12.087 11.627 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.997 11.095 11.791 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.178 12.917 13.876 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.663 10.732 15.093 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.492 10.824 13.521 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.013 9.849 13.692 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.367 11.918 15.530 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.208 11.078 14.206 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.204 12.856 14.270 1.00 0.00 H new ATOM 426 N ILE A 29 0.580 13.731 9.159 1.00 0.00 N ATOM 427 CA ILE A 29 0.621 13.821 7.661 1.00 0.00 C ATOM 428 C ILE A 29 1.918 14.556 7.164 1.00 0.00 C ATOM 429 O ILE A 29 2.630 14.026 6.308 1.00 0.00 O ATOM 430 CB ILE A 29 -0.705 14.434 7.074 1.00 0.00 C ATOM 431 CG1 ILE A 29 -1.986 13.662 7.500 1.00 0.00 C ATOM 432 CG2 ILE A 29 -0.699 14.512 5.524 1.00 0.00 C ATOM 433 CD1 ILE A 29 -3.317 14.407 7.269 1.00 0.00 C ATOM 0 H ILE A 29 -0.219 14.217 9.567 1.00 0.00 H new ATOM 0 HA ILE A 29 0.677 12.806 7.268 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.732 15.438 7.497 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.019 12.718 6.955 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -1.906 13.416 8.559 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -1.639 14.943 5.178 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.130 15.138 5.194 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -0.585 13.510 5.110 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -4.146 13.781 7.600 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -3.316 15.338 7.836 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -3.430 14.629 6.208 1.00 0.00 H new ATOM 445 N GLN A 30 2.243 15.741 7.722 1.00 0.00 N ATOM 446 CA GLN A 30 3.539 16.445 7.467 1.00 0.00 C ATOM 447 C GLN A 30 4.837 15.631 7.805 1.00 0.00 C ATOM 448 O GLN A 30 5.876 15.875 7.187 1.00 0.00 O ATOM 449 CB GLN A 30 3.492 17.835 8.172 1.00 0.00 C ATOM 450 CG GLN A 30 2.970 19.042 7.337 1.00 0.00 C ATOM 451 CD GLN A 30 1.859 18.819 6.300 1.00 0.00 C ATOM 452 OE1 GLN A 30 2.108 18.824 5.099 1.00 0.00 O ATOM 453 NE2 GLN A 30 0.637 18.589 6.711 1.00 0.00 N ATOM 0 H GLN A 30 1.625 16.243 8.360 1.00 0.00 H new ATOM 0 HA GLN A 30 3.627 16.571 6.388 1.00 0.00 H new ATOM 0 HB2 GLN A 30 2.865 17.742 9.059 1.00 0.00 H new ATOM 0 HB3 GLN A 30 4.499 18.073 8.516 1.00 0.00 H new ATOM 0 HG2 GLN A 30 2.615 19.796 8.039 1.00 0.00 H new ATOM 0 HG3 GLN A 30 3.824 19.471 6.814 1.00 0.00 H new ATOM 0 HE21 GLN A 30 0.427 18.584 7.709 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -0.105 18.415 6.033 1.00 0.00 H new ATOM 462 N LYS A 31 4.779 14.666 8.742 1.00 0.00 N ATOM 463 CA LYS A 31 5.898 13.727 9.012 1.00 0.00 C ATOM 464 C LYS A 31 6.000 12.608 7.923 1.00 0.00 C ATOM 465 O LYS A 31 7.042 12.500 7.273 1.00 0.00 O ATOM 466 CB LYS A 31 5.710 13.160 10.442 1.00 0.00 C ATOM 467 CG LYS A 31 6.108 14.121 11.583 1.00 0.00 C ATOM 468 CD LYS A 31 5.682 13.543 12.941 1.00 0.00 C ATOM 469 CE LYS A 31 6.273 14.297 14.141 1.00 0.00 C ATOM 470 NZ LYS A 31 5.634 13.740 15.356 1.00 0.00 N ATOM 0 H LYS A 31 3.962 14.511 9.333 1.00 0.00 H new ATOM 0 HA LYS A 31 6.850 14.255 8.959 1.00 0.00 H new ATOM 0 HB2 LYS A 31 4.664 12.880 10.571 1.00 0.00 H new ATOM 0 HB3 LYS A 31 6.298 12.247 10.535 1.00 0.00 H new ATOM 0 HG2 LYS A 31 7.186 14.283 11.571 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.638 15.092 11.430 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.594 13.562 13.010 1.00 0.00 H new ATOM 0 HD3 LYS A 31 5.986 12.498 12.993 1.00 0.00 H new ATOM 0 HE2 LYS A 31 7.355 14.171 14.181 1.00 0.00 H new ATOM 0 HE3 LYS A 31 6.079 15.366 14.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 6.154 14.058 16.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 4.649 14.069 15.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 5.650 12.701 15.311 1.00 0.00 H new ATOM 484 N GLY A 32 4.945 11.794 7.700 1.00 0.00 N ATOM 485 CA GLY A 32 4.973 10.715 6.671 1.00 0.00 C ATOM 486 C GLY A 32 4.920 11.056 5.160 1.00 0.00 C ATOM 487 O GLY A 32 5.102 10.138 4.356 1.00 0.00 O ATOM 0 H GLY A 32 4.065 11.858 8.212 1.00 0.00 H new ATOM 0 HA2 GLY A 32 5.883 10.138 6.837 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.133 10.052 6.879 1.00 0.00 H new ATOM 491 N LYS A 33 4.684 12.317 4.755 1.00 0.00 N ATOM 492 CA LYS A 33 4.633 12.710 3.315 1.00 0.00 C ATOM 493 C LYS A 33 5.961 12.622 2.480 1.00 0.00 C ATOM 494 O LYS A 33 5.911 12.188 1.325 1.00 0.00 O ATOM 495 CB LYS A 33 3.947 14.099 3.188 1.00 0.00 C ATOM 496 CG LYS A 33 4.688 15.306 3.818 1.00 0.00 C ATOM 497 CD LYS A 33 4.045 16.675 3.531 1.00 0.00 C ATOM 498 CE LYS A 33 4.317 17.238 2.119 1.00 0.00 C ATOM 499 NZ LYS A 33 5.705 17.769 1.985 1.00 0.00 N ATOM 0 H LYS A 33 4.524 13.091 5.399 1.00 0.00 H new ATOM 0 HA LYS A 33 4.039 11.930 2.839 1.00 0.00 H new ATOM 0 HB2 LYS A 33 3.797 14.308 2.129 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.959 14.032 3.643 1.00 0.00 H new ATOM 0 HG2 LYS A 33 4.737 15.162 4.897 1.00 0.00 H new ATOM 0 HG3 LYS A 33 5.714 15.317 3.451 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.967 16.590 3.671 1.00 0.00 H new ATOM 0 HD3 LYS A 33 4.407 17.392 4.268 1.00 0.00 H new ATOM 0 HE2 LYS A 33 4.156 16.454 1.379 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.603 18.032 1.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 6.055 17.586 1.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 5.704 18.793 2.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 6.325 17.298 2.674 1.00 0.00 H new ATOM 513 N ASP A 34 7.114 13.024 3.046 1.00 0.00 N ATOM 514 CA ASP A 34 8.423 13.074 2.317 1.00 0.00 C ATOM 515 C ASP A 34 9.476 11.958 2.682 1.00 0.00 C ATOM 516 O ASP A 34 10.559 11.927 2.087 1.00 0.00 O ATOM 517 CB ASP A 34 9.034 14.492 2.534 1.00 0.00 C ATOM 518 CG ASP A 34 8.200 15.697 2.084 1.00 0.00 C ATOM 519 OD1 ASP A 34 7.883 15.833 0.885 1.00 0.00 O ATOM 520 OD2 ASP A 34 7.809 16.512 2.947 1.00 0.00 O ATOM 0 H ASP A 34 7.179 13.325 4.018 1.00 0.00 H new ATOM 0 HA ASP A 34 8.196 12.868 1.271 1.00 0.00 H new ATOM 0 HB2 ASP A 34 9.247 14.608 3.597 1.00 0.00 H new ATOM 0 HB3 ASP A 34 9.990 14.530 2.012 1.00 0.00 H new ATOM 525 N ILE A 35 9.191 11.028 3.619 1.00 0.00 N ATOM 526 CA ILE A 35 10.158 9.977 4.069 1.00 0.00 C ATOM 527 C ILE A 35 10.280 8.837 2.998 1.00 0.00 C ATOM 528 O ILE A 35 9.324 8.088 2.765 1.00 0.00 O ATOM 529 CB ILE A 35 9.764 9.446 5.504 1.00 0.00 C ATOM 530 CG1 ILE A 35 9.816 10.549 6.609 1.00 0.00 C ATOM 531 CG2 ILE A 35 10.636 8.245 5.975 1.00 0.00 C ATOM 532 CD1 ILE A 35 9.096 10.211 7.930 1.00 0.00 C ATOM 0 H ILE A 35 8.288 10.976 4.090 1.00 0.00 H new ATOM 0 HA ILE A 35 11.152 10.416 4.160 1.00 0.00 H new ATOM 0 HB ILE A 35 8.733 9.115 5.380 1.00 0.00 H new ATOM 0 HG12 ILE A 35 10.861 10.764 6.832 1.00 0.00 H new ATOM 0 HG13 ILE A 35 9.382 11.463 6.204 1.00 0.00 H new ATOM 0 HG21 ILE A 35 10.314 7.929 6.967 1.00 0.00 H new ATOM 0 HG22 ILE A 35 10.523 7.417 5.276 1.00 0.00 H new ATOM 0 HG23 ILE A 35 11.682 8.548 6.012 1.00 0.00 H new ATOM 0 HD11 ILE A 35 9.196 11.046 8.623 1.00 0.00 H new ATOM 0 HD12 ILE A 35 8.040 10.028 7.732 1.00 0.00 H new ATOM 0 HD13 ILE A 35 9.542 9.319 8.370 1.00 0.00 H new ATOM 544 N LYS A 36 11.478 8.659 2.403 1.00 0.00 N ATOM 545 CA LYS A 36 11.741 7.554 1.432 1.00 0.00 C ATOM 546 C LYS A 36 11.997 6.180 2.153 1.00 0.00 C ATOM 547 O LYS A 36 13.125 5.678 2.215 1.00 0.00 O ATOM 548 CB LYS A 36 12.921 7.944 0.495 1.00 0.00 C ATOM 549 CG LYS A 36 12.644 9.048 -0.555 1.00 0.00 C ATOM 550 CD LYS A 36 13.707 9.026 -1.677 1.00 0.00 C ATOM 551 CE LYS A 36 13.448 10.073 -2.773 1.00 0.00 C ATOM 552 NZ LYS A 36 14.330 9.801 -3.943 1.00 0.00 N ATOM 0 H LYS A 36 12.284 9.261 2.572 1.00 0.00 H new ATOM 0 HA LYS A 36 10.847 7.414 0.824 1.00 0.00 H new ATOM 0 HB2 LYS A 36 13.755 8.268 1.117 1.00 0.00 H new ATOM 0 HB3 LYS A 36 13.246 7.047 -0.033 1.00 0.00 H new ATOM 0 HG2 LYS A 36 11.653 8.905 -0.986 1.00 0.00 H new ATOM 0 HG3 LYS A 36 12.643 10.024 -0.070 1.00 0.00 H new ATOM 0 HD2 LYS A 36 14.691 9.201 -1.241 1.00 0.00 H new ATOM 0 HD3 LYS A 36 13.730 8.034 -2.128 1.00 0.00 H new ATOM 0 HE2 LYS A 36 12.402 10.043 -3.079 1.00 0.00 H new ATOM 0 HE3 LYS A 36 13.639 11.074 -2.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 14.141 10.500 -4.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 15.326 9.867 -3.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 14.139 8.846 -4.307 1.00 0.00 H new ATOM 566 N GLY A 37 10.927 5.564 2.681 1.00 0.00 N ATOM 567 CA GLY A 37 11.021 4.268 3.405 1.00 0.00 C ATOM 568 C GLY A 37 10.923 2.993 2.536 1.00 0.00 C ATOM 569 O GLY A 37 10.685 3.033 1.328 1.00 0.00 O ATOM 0 H GLY A 37 9.980 5.938 2.624 1.00 0.00 H new ATOM 0 HA2 GLY A 37 11.969 4.244 3.943 1.00 0.00 H new ATOM 0 HA3 GLY A 37 10.229 4.235 4.153 1.00 0.00 H new ATOM 573 N VAL A 38 11.110 1.838 3.186 1.00 0.00 N ATOM 574 CA VAL A 38 11.041 0.501 2.520 1.00 0.00 C ATOM 575 C VAL A 38 9.575 -0.063 2.546 1.00 0.00 C ATOM 576 O VAL A 38 8.854 0.043 3.546 1.00 0.00 O ATOM 577 CB VAL A 38 12.097 -0.469 3.166 1.00 0.00 C ATOM 578 CG1 VAL A 38 12.062 -1.911 2.605 1.00 0.00 C ATOM 579 CG2 VAL A 38 13.561 0.016 3.002 1.00 0.00 C ATOM 0 H VAL A 38 11.313 1.787 4.184 1.00 0.00 H new ATOM 0 HA VAL A 38 11.301 0.600 1.466 1.00 0.00 H new ATOM 0 HB VAL A 38 11.799 -0.466 4.214 1.00 0.00 H new ATOM 0 HG11 VAL A 38 12.821 -2.514 3.104 1.00 0.00 H new ATOM 0 HG12 VAL A 38 11.079 -2.346 2.782 1.00 0.00 H new ATOM 0 HG13 VAL A 38 12.262 -1.890 1.534 1.00 0.00 H new ATOM 0 HG21 VAL A 38 14.236 -0.700 3.471 1.00 0.00 H new ATOM 0 HG22 VAL A 38 13.800 0.100 1.942 1.00 0.00 H new ATOM 0 HG23 VAL A 38 13.677 0.990 3.478 1.00 0.00 H new ATOM 589 N SER A 39 9.164 -0.680 1.428 1.00 0.00 N ATOM 590 CA SER A 39 7.865 -1.386 1.296 1.00 0.00 C ATOM 591 C SER A 39 8.170 -2.829 0.802 1.00 0.00 C ATOM 592 O SER A 39 8.371 -3.097 -0.388 1.00 0.00 O ATOM 593 CB SER A 39 6.943 -0.654 0.310 1.00 0.00 C ATOM 594 OG SER A 39 6.436 0.566 0.847 1.00 0.00 O ATOM 0 H SER A 39 9.725 -0.707 0.577 1.00 0.00 H new ATOM 0 HA SER A 39 7.347 -1.413 2.255 1.00 0.00 H new ATOM 0 HB2 SER A 39 7.491 -0.444 -0.609 1.00 0.00 H new ATOM 0 HB3 SER A 39 6.110 -1.305 0.043 1.00 0.00 H new ATOM 0 HG SER A 39 5.614 0.815 0.375 1.00 0.00 H new ATOM 600 N GLU A 40 8.225 -3.761 1.750 1.00 0.00 N ATOM 601 CA GLU A 40 8.543 -5.185 1.474 1.00 0.00 C ATOM 602 C GLU A 40 7.319 -6.022 1.012 1.00 0.00 C ATOM 603 O GLU A 40 6.190 -5.784 1.448 1.00 0.00 O ATOM 604 CB GLU A 40 9.120 -5.764 2.788 1.00 0.00 C ATOM 605 CG GLU A 40 9.785 -7.161 2.713 1.00 0.00 C ATOM 606 CD GLU A 40 10.373 -7.609 4.039 1.00 0.00 C ATOM 607 OE1 GLU A 40 9.608 -7.849 4.999 1.00 0.00 O ATOM 608 OE2 GLU A 40 11.613 -7.710 4.129 1.00 0.00 O ATOM 0 H GLU A 40 8.052 -3.564 2.736 1.00 0.00 H new ATOM 0 HA GLU A 40 9.250 -5.237 0.646 1.00 0.00 H new ATOM 0 HB2 GLU A 40 9.857 -5.059 3.173 1.00 0.00 H new ATOM 0 HB3 GLU A 40 8.313 -5.813 3.519 1.00 0.00 H new ATOM 0 HG2 GLU A 40 9.046 -7.892 2.384 1.00 0.00 H new ATOM 0 HG3 GLU A 40 10.573 -7.143 1.960 1.00 0.00 H new ATOM 615 N ILE A 41 7.563 -7.020 0.151 1.00 0.00 N ATOM 616 CA ILE A 41 6.538 -8.031 -0.233 1.00 0.00 C ATOM 617 C ILE A 41 7.302 -9.392 -0.436 1.00 0.00 C ATOM 618 O ILE A 41 8.303 -9.450 -1.158 1.00 0.00 O ATOM 619 CB ILE A 41 5.695 -7.678 -1.517 1.00 0.00 C ATOM 620 CG1 ILE A 41 5.069 -6.254 -1.566 1.00 0.00 C ATOM 621 CG2 ILE A 41 4.570 -8.725 -1.758 1.00 0.00 C ATOM 622 CD1 ILE A 41 4.579 -5.832 -2.962 1.00 0.00 C ATOM 0 H ILE A 41 8.466 -7.159 -0.302 1.00 0.00 H new ATOM 0 HA ILE A 41 5.796 -8.075 0.564 1.00 0.00 H new ATOM 0 HB ILE A 41 6.441 -7.701 -2.311 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.231 -6.213 -0.871 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.807 -5.532 -1.218 1.00 0.00 H new ATOM 0 HG21 ILE A 41 4.006 -8.454 -2.651 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.014 -9.711 -1.895 1.00 0.00 H new ATOM 0 HG23 ILE A 41 3.901 -8.744 -0.898 1.00 0.00 H new ATOM 0 HD11 ILE A 41 4.157 -4.828 -2.911 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.417 -5.838 -3.659 1.00 0.00 H new ATOM 0 HD13 ILE A 41 3.816 -6.530 -3.306 1.00 0.00 H new ATOM 634 N VAL A 42 6.805 -10.491 0.164 1.00 0.00 N ATOM 635 CA VAL A 42 7.363 -11.866 -0.042 1.00 0.00 C ATOM 636 C VAL A 42 6.242 -12.694 -0.760 1.00 0.00 C ATOM 637 O VAL A 42 5.246 -13.069 -0.127 1.00 0.00 O ATOM 638 CB VAL A 42 7.833 -12.575 1.281 1.00 0.00 C ATOM 639 CG1 VAL A 42 8.686 -13.833 0.990 1.00 0.00 C ATOM 640 CG2 VAL A 42 8.625 -11.704 2.282 1.00 0.00 C ATOM 0 H VAL A 42 6.011 -10.465 0.803 1.00 0.00 H new ATOM 0 HA VAL A 42 8.271 -11.796 -0.641 1.00 0.00 H new ATOM 0 HB VAL A 42 6.884 -12.825 1.754 1.00 0.00 H new ATOM 0 HG11 VAL A 42 8.990 -14.292 1.931 1.00 0.00 H new ATOM 0 HG12 VAL A 42 8.098 -14.546 0.412 1.00 0.00 H new ATOM 0 HG13 VAL A 42 9.572 -13.549 0.422 1.00 0.00 H new ATOM 0 HG21 VAL A 42 8.893 -12.303 3.152 1.00 0.00 H new ATOM 0 HG22 VAL A 42 9.531 -11.333 1.804 1.00 0.00 H new ATOM 0 HG23 VAL A 42 8.010 -10.861 2.597 1.00 0.00 H new ATOM 650 N GLN A 43 6.398 -12.997 -2.063 1.00 0.00 N ATOM 651 CA GLN A 43 5.375 -13.752 -2.843 1.00 0.00 C ATOM 652 C GLN A 43 5.450 -15.298 -2.597 1.00 0.00 C ATOM 653 O GLN A 43 6.341 -15.977 -3.115 1.00 0.00 O ATOM 654 CB GLN A 43 5.555 -13.355 -4.336 1.00 0.00 C ATOM 655 CG GLN A 43 4.479 -13.924 -5.300 1.00 0.00 C ATOM 656 CD GLN A 43 4.559 -13.462 -6.765 1.00 0.00 C ATOM 657 OE1 GLN A 43 5.522 -12.860 -7.232 1.00 0.00 O ATOM 658 NE2 GLN A 43 3.538 -13.749 -7.535 1.00 0.00 N ATOM 0 H GLN A 43 7.220 -12.734 -2.606 1.00 0.00 H new ATOM 0 HA GLN A 43 4.371 -13.486 -2.512 1.00 0.00 H new ATOM 0 HB2 GLN A 43 5.550 -12.268 -4.410 1.00 0.00 H new ATOM 0 HB3 GLN A 43 6.536 -13.692 -4.670 1.00 0.00 H new ATOM 0 HG2 GLN A 43 4.545 -15.012 -5.281 1.00 0.00 H new ATOM 0 HG3 GLN A 43 3.496 -13.657 -4.911 1.00 0.00 H new ATOM 0 HE21 GLN A 43 2.735 -14.249 -7.152 1.00 0.00 H new ATOM 0 HE22 GLN A 43 3.546 -13.472 -8.517 1.00 0.00 H new ATOM 667 N ASN A 44 4.492 -15.851 -1.829 1.00 0.00 N ATOM 668 CA ASN A 44 4.422 -17.317 -1.536 1.00 0.00 C ATOM 669 C ASN A 44 3.133 -17.930 -2.191 1.00 0.00 C ATOM 670 O ASN A 44 2.206 -18.369 -1.497 1.00 0.00 O ATOM 671 CB ASN A 44 4.474 -17.546 0.006 1.00 0.00 C ATOM 672 CG ASN A 44 5.726 -17.076 0.755 1.00 0.00 C ATOM 673 OD1 ASN A 44 6.703 -17.797 0.913 1.00 0.00 O ATOM 674 ND2 ASN A 44 5.733 -15.867 1.263 1.00 0.00 N ATOM 0 H ASN A 44 3.746 -15.310 -1.392 1.00 0.00 H new ATOM 0 HA ASN A 44 5.280 -17.829 -1.971 1.00 0.00 H new ATOM 0 HB2 ASN A 44 3.612 -17.047 0.448 1.00 0.00 H new ATOM 0 HB3 ASN A 44 4.354 -18.614 0.191 1.00 0.00 H new ATOM 0 HD21 ASN A 44 6.546 -15.537 1.783 1.00 0.00 H new ATOM 0 HD22 ASN A 44 4.925 -15.257 1.138 1.00 0.00 H new ATOM 681 N GLY A 45 3.068 -17.956 -3.541 1.00 0.00 N ATOM 682 CA GLY A 45 1.871 -18.439 -4.291 1.00 0.00 C ATOM 683 C GLY A 45 0.630 -17.529 -4.129 1.00 0.00 C ATOM 684 O GLY A 45 0.495 -16.518 -4.820 1.00 0.00 O ATOM 0 H GLY A 45 3.832 -17.648 -4.143 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.121 -18.513 -5.349 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.621 -19.444 -3.951 1.00 0.00 H new ATOM 688 N LYS A 46 -0.260 -17.905 -3.200 1.00 0.00 N ATOM 689 CA LYS A 46 -1.409 -17.053 -2.783 1.00 0.00 C ATOM 690 C LYS A 46 -1.055 -16.047 -1.626 1.00 0.00 C ATOM 691 O LYS A 46 -1.609 -14.948 -1.620 1.00 0.00 O ATOM 692 CB LYS A 46 -2.600 -17.962 -2.358 1.00 0.00 C ATOM 693 CG LYS A 46 -3.295 -18.761 -3.492 1.00 0.00 C ATOM 694 CD LYS A 46 -4.372 -19.764 -2.996 1.00 0.00 C ATOM 695 CE LYS A 46 -5.857 -19.362 -3.151 1.00 0.00 C ATOM 696 NZ LYS A 46 -6.236 -18.227 -2.268 1.00 0.00 N ATOM 0 H LYS A 46 -0.215 -18.800 -2.713 1.00 0.00 H new ATOM 0 HA LYS A 46 -1.682 -16.443 -3.644 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.240 -18.670 -1.612 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -3.349 -17.338 -1.870 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -3.760 -18.059 -4.184 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -2.537 -19.307 -4.054 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -4.223 -20.705 -3.526 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -4.186 -19.960 -1.940 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -6.050 -19.091 -4.189 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -6.488 -20.221 -2.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -7.176 -18.403 -1.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -5.538 -18.135 -1.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -6.259 -17.348 -2.823 1.00 0.00 H new ATOM 710 N HIS A 47 -0.183 -16.402 -0.655 1.00 0.00 N ATOM 711 CA HIS A 47 0.144 -15.543 0.520 1.00 0.00 C ATOM 712 C HIS A 47 1.307 -14.544 0.231 1.00 0.00 C ATOM 713 O HIS A 47 2.467 -14.925 0.049 1.00 0.00 O ATOM 714 CB HIS A 47 0.478 -16.452 1.738 1.00 0.00 C ATOM 715 CG HIS A 47 -0.728 -17.148 2.364 1.00 0.00 C ATOM 716 ND1 HIS A 47 -1.166 -18.411 2.018 1.00 0.00 N ATOM 717 CD2 HIS A 47 -1.592 -16.586 3.317 1.00 0.00 C ATOM 718 CE1 HIS A 47 -2.283 -18.501 2.806 1.00 0.00 C ATOM 719 NE2 HIS A 47 -2.645 -17.446 3.605 1.00 0.00 N ATOM 0 H HIS A 47 0.317 -17.291 -0.658 1.00 0.00 H new ATOM 0 HA HIS A 47 -0.729 -14.930 0.744 1.00 0.00 H new ATOM 0 HB2 HIS A 47 1.195 -17.210 1.422 1.00 0.00 H new ATOM 0 HB3 HIS A 47 0.968 -15.848 2.501 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -1.456 -15.614 3.767 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -2.878 -19.402 2.798 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -3.447 -17.328 4.225 1.00 0.00 H new ATOM 727 N PHE A 48 0.982 -13.248 0.221 1.00 0.00 N ATOM 728 CA PHE A 48 1.951 -12.155 -0.043 1.00 0.00 C ATOM 729 C PHE A 48 2.256 -11.449 1.314 1.00 0.00 C ATOM 730 O PHE A 48 1.444 -10.660 1.813 1.00 0.00 O ATOM 731 CB PHE A 48 1.322 -11.194 -1.087 1.00 0.00 C ATOM 732 CG PHE A 48 1.334 -11.592 -2.581 1.00 0.00 C ATOM 733 CD1 PHE A 48 0.776 -12.791 -3.045 1.00 0.00 C ATOM 734 CD2 PHE A 48 1.799 -10.660 -3.515 1.00 0.00 C ATOM 735 CE1 PHE A 48 0.706 -13.058 -4.411 1.00 0.00 C ATOM 736 CE2 PHE A 48 1.714 -10.921 -4.877 1.00 0.00 C ATOM 737 CZ PHE A 48 1.169 -12.116 -5.325 1.00 0.00 C ATOM 0 H PHE A 48 0.034 -12.915 0.396 1.00 0.00 H new ATOM 0 HA PHE A 48 2.892 -12.521 -0.453 1.00 0.00 H new ATOM 0 HB2 PHE A 48 0.283 -11.031 -0.799 1.00 0.00 H new ATOM 0 HB3 PHE A 48 1.832 -10.235 -0.999 1.00 0.00 H new ATOM 0 HD1 PHE A 48 0.397 -13.514 -2.338 1.00 0.00 H new ATOM 0 HD2 PHE A 48 2.228 -9.729 -3.174 1.00 0.00 H new ATOM 0 HE1 PHE A 48 0.294 -13.993 -4.759 1.00 0.00 H new ATOM 0 HE2 PHE A 48 2.073 -10.192 -5.589 1.00 0.00 H new ATOM 0 HZ PHE A 48 1.104 -12.315 -6.384 1.00 0.00 H new ATOM 747 N LYS A 49 3.423 -11.741 1.915 1.00 0.00 N ATOM 748 CA LYS A 49 3.801 -11.189 3.251 1.00 0.00 C ATOM 749 C LYS A 49 4.474 -9.804 3.111 1.00 0.00 C ATOM 750 O LYS A 49 5.578 -9.709 2.567 1.00 0.00 O ATOM 751 CB LYS A 49 4.731 -12.165 4.018 1.00 0.00 C ATOM 752 CG LYS A 49 4.093 -13.523 4.363 1.00 0.00 C ATOM 753 CD LYS A 49 5.100 -14.544 4.932 1.00 0.00 C ATOM 754 CE LYS A 49 4.644 -16.013 4.856 1.00 0.00 C ATOM 755 NZ LYS A 49 3.462 -16.292 5.722 1.00 0.00 N ATOM 0 H LYS A 49 4.128 -12.355 1.506 1.00 0.00 H new ATOM 0 HA LYS A 49 2.883 -11.068 3.826 1.00 0.00 H new ATOM 0 HB2 LYS A 49 5.625 -12.340 3.419 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.055 -11.686 4.942 1.00 0.00 H new ATOM 0 HG2 LYS A 49 3.295 -13.368 5.089 1.00 0.00 H new ATOM 0 HG3 LYS A 49 3.632 -13.938 3.467 1.00 0.00 H new ATOM 0 HD2 LYS A 49 6.042 -14.443 4.393 1.00 0.00 H new ATOM 0 HD3 LYS A 49 5.300 -14.294 5.974 1.00 0.00 H new ATOM 0 HE2 LYS A 49 4.400 -16.261 3.823 1.00 0.00 H new ATOM 0 HE3 LYS A 49 5.468 -16.661 5.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 3.529 -17.259 6.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 3.441 -15.613 6.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 2.591 -16.199 5.161 1.00 0.00 H new ATOM 769 N PHE A 50 3.817 -8.745 3.603 1.00 0.00 N ATOM 770 CA PHE A 50 4.352 -7.360 3.497 1.00 0.00 C ATOM 771 C PHE A 50 4.945 -6.765 4.808 1.00 0.00 C ATOM 772 O PHE A 50 4.492 -7.066 5.917 1.00 0.00 O ATOM 773 CB PHE A 50 3.346 -6.426 2.751 1.00 0.00 C ATOM 774 CG PHE A 50 2.018 -5.894 3.355 1.00 0.00 C ATOM 775 CD1 PHE A 50 1.891 -5.416 4.668 1.00 0.00 C ATOM 776 CD2 PHE A 50 0.959 -5.682 2.467 1.00 0.00 C ATOM 777 CE1 PHE A 50 0.731 -4.768 5.083 1.00 0.00 C ATOM 778 CE2 PHE A 50 -0.207 -5.046 2.880 1.00 0.00 C ATOM 779 CZ PHE A 50 -0.320 -4.589 4.190 1.00 0.00 C ATOM 0 H PHE A 50 2.917 -8.809 4.078 1.00 0.00 H new ATOM 0 HA PHE A 50 5.243 -7.431 2.873 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.916 -5.545 2.455 1.00 0.00 H new ATOM 0 HB3 PHE A 50 3.071 -6.950 1.836 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.704 -5.553 5.366 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.048 -6.017 1.444 1.00 0.00 H new ATOM 0 HE1 PHE A 50 0.647 -4.405 6.097 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.023 -4.907 2.186 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.224 -4.095 4.513 1.00 0.00 H new ATOM 789 N THR A 51 5.937 -5.872 4.646 1.00 0.00 N ATOM 790 CA THR A 51 6.504 -5.062 5.770 1.00 0.00 C ATOM 791 C THR A 51 6.521 -3.591 5.233 1.00 0.00 C ATOM 792 O THR A 51 7.459 -3.185 4.536 1.00 0.00 O ATOM 793 CB THR A 51 7.892 -5.587 6.266 1.00 0.00 C ATOM 794 OG1 THR A 51 7.903 -7.003 6.447 1.00 0.00 O ATOM 795 CG2 THR A 51 8.361 -4.973 7.585 1.00 0.00 C ATOM 0 H THR A 51 6.374 -5.683 3.744 1.00 0.00 H new ATOM 0 HA THR A 51 5.900 -5.135 6.674 1.00 0.00 H new ATOM 0 HB THR A 51 8.571 -5.285 5.468 1.00 0.00 H new ATOM 0 HG1 THR A 51 8.733 -7.373 6.081 1.00 0.00 H new ATOM 0 HG21 THR A 51 9.330 -5.391 7.857 1.00 0.00 H new ATOM 0 HG22 THR A 51 8.451 -3.893 7.472 1.00 0.00 H new ATOM 0 HG23 THR A 51 7.637 -5.197 8.368 1.00 0.00 H new ATOM 803 N ILE A 52 5.467 -2.800 5.518 1.00 0.00 N ATOM 804 CA ILE A 52 5.273 -1.447 4.903 1.00 0.00 C ATOM 805 C ILE A 52 5.621 -0.299 5.900 1.00 0.00 C ATOM 806 O ILE A 52 5.158 -0.259 7.041 1.00 0.00 O ATOM 807 CB ILE A 52 3.818 -1.307 4.316 1.00 0.00 C ATOM 808 CG1 ILE A 52 3.403 -2.419 3.306 1.00 0.00 C ATOM 809 CG2 ILE A 52 3.517 0.074 3.672 1.00 0.00 C ATOM 810 CD1 ILE A 52 4.289 -2.604 2.062 1.00 0.00 C ATOM 0 H ILE A 52 4.729 -3.065 6.170 1.00 0.00 H new ATOM 0 HA ILE A 52 5.973 -1.352 4.073 1.00 0.00 H new ATOM 0 HB ILE A 52 3.213 -1.420 5.216 1.00 0.00 H new ATOM 0 HG12 ILE A 52 3.371 -3.368 3.842 1.00 0.00 H new ATOM 0 HG13 ILE A 52 2.388 -2.208 2.970 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.495 0.084 3.294 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.635 0.858 4.420 1.00 0.00 H new ATOM 0 HG23 ILE A 52 4.210 0.251 2.849 1.00 0.00 H new ATOM 0 HD11 ILE A 52 3.887 -3.408 1.446 1.00 0.00 H new ATOM 0 HD12 ILE A 52 4.305 -1.679 1.486 1.00 0.00 H new ATOM 0 HD13 ILE A 52 5.303 -2.856 2.372 1.00 0.00 H new ATOM 822 N THR A 53 6.386 0.687 5.416 1.00 0.00 N ATOM 823 CA THR A 53 6.762 1.894 6.199 1.00 0.00 C ATOM 824 C THR A 53 5.750 3.057 5.941 1.00 0.00 C ATOM 825 O THR A 53 5.690 3.668 4.863 1.00 0.00 O ATOM 826 CB THR A 53 8.227 2.339 5.905 1.00 0.00 C ATOM 827 OG1 THR A 53 8.466 2.426 4.506 1.00 0.00 O ATOM 828 CG2 THR A 53 9.303 1.420 6.505 1.00 0.00 C ATOM 0 H THR A 53 6.768 0.680 4.470 1.00 0.00 H new ATOM 0 HA THR A 53 6.715 1.632 7.256 1.00 0.00 H new ATOM 0 HB THR A 53 8.312 3.314 6.385 1.00 0.00 H new ATOM 0 HG1 THR A 53 8.830 1.575 4.183 1.00 0.00 H new ATOM 0 HG21 THR A 53 10.291 1.804 6.252 1.00 0.00 H new ATOM 0 HG22 THR A 53 9.192 1.389 7.589 1.00 0.00 H new ATOM 0 HG23 THR A 53 9.190 0.414 6.100 1.00 0.00 H new ATOM 836 N ALA A 54 4.946 3.354 6.970 1.00 0.00 N ATOM 837 CA ALA A 54 4.026 4.521 6.991 1.00 0.00 C ATOM 838 C ALA A 54 4.694 5.709 7.751 1.00 0.00 C ATOM 839 O ALA A 54 4.310 6.073 8.868 1.00 0.00 O ATOM 840 CB ALA A 54 2.721 4.004 7.625 1.00 0.00 C ATOM 0 H ALA A 54 4.908 2.794 7.821 1.00 0.00 H new ATOM 0 HA ALA A 54 3.803 4.923 6.003 1.00 0.00 H new ATOM 0 HB1 ALA A 54 1.994 4.814 7.673 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.319 3.191 7.020 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.925 3.640 8.632 1.00 0.00 H new ATOM 846 N GLY A 55 5.728 6.301 7.119 1.00 0.00 N ATOM 847 CA GLY A 55 6.566 7.351 7.750 1.00 0.00 C ATOM 848 C GLY A 55 7.501 6.793 8.846 1.00 0.00 C ATOM 849 O GLY A 55 8.592 6.302 8.550 1.00 0.00 O ATOM 0 H GLY A 55 6.007 6.070 6.165 1.00 0.00 H new ATOM 0 HA2 GLY A 55 7.165 7.841 6.983 1.00 0.00 H new ATOM 0 HA3 GLY A 55 5.919 8.113 8.184 1.00 0.00 H new ATOM 853 N SER A 56 7.032 6.857 10.098 1.00 0.00 N ATOM 854 CA SER A 56 7.730 6.247 11.268 1.00 0.00 C ATOM 855 C SER A 56 7.238 4.797 11.626 1.00 0.00 C ATOM 856 O SER A 56 8.050 3.988 12.083 1.00 0.00 O ATOM 857 CB SER A 56 7.586 7.162 12.510 1.00 0.00 C ATOM 858 OG SER A 56 8.050 8.496 12.280 1.00 0.00 O ATOM 0 H SER A 56 6.161 7.329 10.343 1.00 0.00 H new ATOM 0 HA SER A 56 8.776 6.155 10.974 1.00 0.00 H new ATOM 0 HB2 SER A 56 6.539 7.195 12.811 1.00 0.00 H new ATOM 0 HB3 SER A 56 8.143 6.728 13.340 1.00 0.00 H new ATOM 0 HG SER A 56 7.804 9.063 13.040 1.00 0.00 H new ATOM 864 N LYS A 57 5.936 4.459 11.463 1.00 0.00 N ATOM 865 CA LYS A 57 5.390 3.126 11.839 1.00 0.00 C ATOM 866 C LYS A 57 5.639 2.014 10.766 1.00 0.00 C ATOM 867 O LYS A 57 5.340 2.178 9.579 1.00 0.00 O ATOM 868 CB LYS A 57 3.868 3.276 12.143 1.00 0.00 C ATOM 869 CG LYS A 57 3.242 2.043 12.848 1.00 0.00 C ATOM 870 CD LYS A 57 1.705 2.088 12.964 1.00 0.00 C ATOM 871 CE LYS A 57 1.163 0.822 13.660 1.00 0.00 C ATOM 872 NZ LYS A 57 -0.320 0.798 13.619 1.00 0.00 N ATOM 0 H LYS A 57 5.239 5.093 11.072 1.00 0.00 H new ATOM 0 HA LYS A 57 5.927 2.790 12.726 1.00 0.00 H new ATOM 0 HB2 LYS A 57 3.718 4.155 12.769 1.00 0.00 H new ATOM 0 HB3 LYS A 57 3.337 3.456 11.208 1.00 0.00 H new ATOM 0 HG2 LYS A 57 3.527 1.144 12.302 1.00 0.00 H new ATOM 0 HG3 LYS A 57 3.667 1.957 13.848 1.00 0.00 H new ATOM 0 HD2 LYS A 57 1.405 2.972 13.526 1.00 0.00 H new ATOM 0 HD3 LYS A 57 1.265 2.177 11.971 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.560 -0.067 13.170 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.504 0.795 14.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -0.664 -0.100 14.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -0.696 1.590 14.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -0.642 0.887 12.634 1.00 0.00 H new ATOM 886 N VAL A 58 6.120 0.847 11.229 1.00 0.00 N ATOM 887 CA VAL A 58 6.306 -0.359 10.370 1.00 0.00 C ATOM 888 C VAL A 58 4.997 -1.219 10.489 1.00 0.00 C ATOM 889 O VAL A 58 4.736 -1.841 11.524 1.00 0.00 O ATOM 890 CB VAL A 58 7.612 -1.131 10.771 1.00 0.00 C ATOM 891 CG1 VAL A 58 7.837 -2.388 9.902 1.00 0.00 C ATOM 892 CG2 VAL A 58 8.906 -0.285 10.665 1.00 0.00 C ATOM 0 H VAL A 58 6.392 0.703 12.201 1.00 0.00 H new ATOM 0 HA VAL A 58 6.451 -0.092 9.323 1.00 0.00 H new ATOM 0 HB VAL A 58 7.437 -1.395 11.814 1.00 0.00 H new ATOM 0 HG11 VAL A 58 8.753 -2.889 10.217 1.00 0.00 H new ATOM 0 HG12 VAL A 58 6.993 -3.067 10.020 1.00 0.00 H new ATOM 0 HG13 VAL A 58 7.925 -2.096 8.856 1.00 0.00 H new ATOM 0 HG21 VAL A 58 9.762 -0.892 10.959 1.00 0.00 H new ATOM 0 HG22 VAL A 58 9.037 0.053 9.637 1.00 0.00 H new ATOM 0 HG23 VAL A 58 8.830 0.580 11.324 1.00 0.00 H new ATOM 902 N ILE A 59 4.176 -1.233 9.427 1.00 0.00 N ATOM 903 CA ILE A 59 2.881 -1.978 9.385 1.00 0.00 C ATOM 904 C ILE A 59 3.140 -3.312 8.615 1.00 0.00 C ATOM 905 O ILE A 59 3.238 -3.326 7.381 1.00 0.00 O ATOM 906 CB ILE A 59 1.739 -1.096 8.754 1.00 0.00 C ATOM 907 CG1 ILE A 59 1.496 0.239 9.524 1.00 0.00 C ATOM 908 CG2 ILE A 59 0.397 -1.872 8.651 1.00 0.00 C ATOM 909 CD1 ILE A 59 0.577 1.254 8.825 1.00 0.00 C ATOM 0 H ILE A 59 4.381 -0.730 8.564 1.00 0.00 H new ATOM 0 HA ILE A 59 2.525 -2.215 10.388 1.00 0.00 H new ATOM 0 HB ILE A 59 2.095 -0.850 7.754 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.070 0.002 10.499 1.00 0.00 H new ATOM 0 HG13 ILE A 59 2.460 0.714 9.704 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -0.363 -1.227 8.211 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.533 -2.753 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 0.477 2.143 9.447 1.00 0.00 H new ATOM 0 HD12 ILE A 59 1.006 1.531 7.862 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.405 0.808 8.669 1.00 0.00 H new ATOM 921 N GLN A 60 3.238 -4.432 9.350 1.00 0.00 N ATOM 922 CA GLN A 60 3.500 -5.772 8.761 1.00 0.00 C ATOM 923 C GLN A 60 2.265 -6.720 8.896 1.00 0.00 C ATOM 924 O GLN A 60 1.790 -7.039 9.989 1.00 0.00 O ATOM 925 CB GLN A 60 4.842 -6.353 9.281 1.00 0.00 C ATOM 926 CG GLN A 60 4.975 -6.769 10.767 1.00 0.00 C ATOM 927 CD GLN A 60 4.983 -5.619 11.784 1.00 0.00 C ATOM 928 OE1 GLN A 60 3.947 -5.138 12.231 1.00 0.00 O ATOM 929 NE2 GLN A 60 6.133 -5.111 12.156 1.00 0.00 N ATOM 0 H GLN A 60 3.140 -4.443 10.365 1.00 0.00 H new ATOM 0 HA GLN A 60 3.634 -5.667 7.684 1.00 0.00 H new ATOM 0 HB2 GLN A 60 5.073 -7.230 8.676 1.00 0.00 H new ATOM 0 HB3 GLN A 60 5.617 -5.613 9.080 1.00 0.00 H new ATOM 0 HG2 GLN A 60 4.152 -7.440 11.012 1.00 0.00 H new ATOM 0 HG3 GLN A 60 5.897 -7.339 10.884 1.00 0.00 H new ATOM 0 HE21 GLN A 60 7.003 -5.500 11.793 1.00 0.00 H new ATOM 0 HE22 GLN A 60 6.157 -4.327 12.808 1.00 0.00 H new ATOM 938 N ASN A 61 1.743 -7.134 7.738 1.00 0.00 N ATOM 939 CA ASN A 61 0.564 -8.042 7.605 1.00 0.00 C ATOM 940 C ASN A 61 0.730 -8.885 6.287 1.00 0.00 C ATOM 941 O ASN A 61 1.545 -8.558 5.415 1.00 0.00 O ATOM 942 CB ASN A 61 -0.773 -7.236 7.579 1.00 0.00 C ATOM 943 CG ASN A 61 -1.258 -6.608 8.891 1.00 0.00 C ATOM 944 OD1 ASN A 61 -1.927 -7.234 9.707 1.00 0.00 O ATOM 945 ND2 ASN A 61 -0.981 -5.348 9.120 1.00 0.00 N ATOM 0 H ASN A 61 2.126 -6.849 6.837 1.00 0.00 H new ATOM 0 HA ASN A 61 0.521 -8.706 8.469 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -0.668 -6.437 6.845 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -1.557 -7.901 7.217 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -1.321 -4.897 9.970 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -0.426 -4.818 8.449 1.00 0.00 H new ATOM 952 N GLU A 62 -0.037 -9.981 6.117 1.00 0.00 N ATOM 953 CA GLU A 62 0.026 -10.820 4.884 1.00 0.00 C ATOM 954 C GLU A 62 -1.348 -10.948 4.168 1.00 0.00 C ATOM 955 O GLU A 62 -2.364 -11.269 4.794 1.00 0.00 O ATOM 956 CB GLU A 62 0.740 -12.167 5.156 1.00 0.00 C ATOM 957 CG GLU A 62 0.014 -13.299 5.924 1.00 0.00 C ATOM 958 CD GLU A 62 0.890 -14.536 6.049 1.00 0.00 C ATOM 959 OE1 GLU A 62 1.103 -15.246 5.041 1.00 0.00 O ATOM 960 OE2 GLU A 62 1.456 -14.779 7.134 1.00 0.00 O ATOM 0 H GLU A 62 -0.708 -10.312 6.810 1.00 0.00 H new ATOM 0 HA GLU A 62 0.649 -10.297 4.159 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.039 -12.574 4.190 1.00 0.00 H new ATOM 0 HB3 GLU A 62 1.655 -11.942 5.704 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.264 -12.946 6.917 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -0.910 -13.557 5.407 1.00 0.00 H new ATOM 967 N PHE A 63 -1.370 -10.690 2.846 1.00 0.00 N ATOM 968 CA PHE A 63 -2.605 -10.804 2.025 1.00 0.00 C ATOM 969 C PHE A 63 -2.657 -12.102 1.175 1.00 0.00 C ATOM 970 O PHE A 63 -1.709 -12.477 0.479 1.00 0.00 O ATOM 971 CB PHE A 63 -2.926 -9.528 1.211 1.00 0.00 C ATOM 972 CG PHE A 63 -1.942 -9.076 0.119 1.00 0.00 C ATOM 973 CD1 PHE A 63 -0.900 -8.194 0.420 1.00 0.00 C ATOM 974 CD2 PHE A 63 -2.108 -9.519 -1.198 1.00 0.00 C ATOM 975 CE1 PHE A 63 -0.043 -7.754 -0.586 1.00 0.00 C ATOM 976 CE2 PHE A 63 -1.265 -9.058 -2.205 1.00 0.00 C ATOM 977 CZ PHE A 63 -0.234 -8.175 -1.896 1.00 0.00 C ATOM 0 H PHE A 63 -0.548 -10.400 2.317 1.00 0.00 H new ATOM 0 HA PHE A 63 -3.418 -10.894 2.745 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -3.898 -9.674 0.739 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -3.035 -8.705 1.917 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -0.759 -7.853 1.435 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -2.894 -10.222 -1.434 1.00 0.00 H new ATOM 0 HE1 PHE A 63 0.771 -7.085 -0.347 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -1.410 -9.385 -3.224 1.00 0.00 H new ATOM 0 HZ PHE A 63 0.420 -7.816 -2.677 1.00 0.00 H new ATOM 987 N THR A 64 -3.821 -12.754 1.218 1.00 0.00 N ATOM 988 CA THR A 64 -4.083 -14.013 0.482 1.00 0.00 C ATOM 989 C THR A 64 -4.843 -13.656 -0.834 1.00 0.00 C ATOM 990 O THR A 64 -5.966 -13.144 -0.808 1.00 0.00 O ATOM 991 CB THR A 64 -4.865 -15.004 1.401 1.00 0.00 C ATOM 992 OG1 THR A 64 -4.266 -15.116 2.689 1.00 0.00 O ATOM 993 CG2 THR A 64 -4.935 -16.430 0.841 1.00 0.00 C ATOM 0 H THR A 64 -4.619 -12.429 1.765 1.00 0.00 H new ATOM 0 HA THR A 64 -3.158 -14.519 0.206 1.00 0.00 H new ATOM 0 HB THR A 64 -5.866 -14.577 1.458 1.00 0.00 H new ATOM 0 HG1 THR A 64 -4.783 -15.743 3.237 1.00 0.00 H new ATOM 0 HG21 THR A 64 -5.492 -17.065 1.530 1.00 0.00 H new ATOM 0 HG22 THR A 64 -5.437 -16.417 -0.126 1.00 0.00 H new ATOM 0 HG23 THR A 64 -3.926 -16.824 0.721 1.00 0.00 H new ATOM 1001 N VAL A 65 -4.238 -13.930 -2.001 1.00 0.00 N ATOM 1002 CA VAL A 65 -4.871 -13.653 -3.331 1.00 0.00 C ATOM 1003 C VAL A 65 -5.969 -14.737 -3.595 1.00 0.00 C ATOM 1004 O VAL A 65 -5.669 -15.936 -3.661 1.00 0.00 O ATOM 1005 CB VAL A 65 -3.777 -13.576 -4.447 1.00 0.00 C ATOM 1006 CG1 VAL A 65 -4.297 -13.478 -5.902 1.00 0.00 C ATOM 1007 CG2 VAL A 65 -2.795 -12.393 -4.255 1.00 0.00 C ATOM 0 H VAL A 65 -3.308 -14.345 -2.066 1.00 0.00 H new ATOM 0 HA VAL A 65 -5.364 -12.681 -3.337 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.281 -14.538 -4.320 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -3.451 -13.430 -6.588 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -4.902 -14.355 -6.132 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -4.904 -12.579 -6.012 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -2.061 -12.395 -5.061 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -3.349 -11.454 -4.271 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -2.283 -12.497 -3.298 1.00 0.00 H new ATOM 1017 N GLY A 66 -7.240 -14.317 -3.707 1.00 0.00 N ATOM 1018 CA GLY A 66 -8.383 -15.265 -3.871 1.00 0.00 C ATOM 1019 C GLY A 66 -9.143 -15.759 -2.609 1.00 0.00 C ATOM 1020 O GLY A 66 -10.208 -16.348 -2.780 1.00 0.00 O ATOM 0 H GLY A 66 -7.513 -13.335 -3.689 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -9.112 -14.790 -4.528 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -8.008 -16.145 -4.394 1.00 0.00 H new ATOM 1024 N GLU A 67 -8.617 -15.564 -1.384 1.00 0.00 N ATOM 1025 CA GLU A 67 -9.343 -15.875 -0.111 1.00 0.00 C ATOM 1026 C GLU A 67 -9.173 -14.712 0.929 1.00 0.00 C ATOM 1027 O GLU A 67 -8.200 -13.955 0.888 1.00 0.00 O ATOM 1028 CB GLU A 67 -8.858 -17.238 0.467 1.00 0.00 C ATOM 1029 CG GLU A 67 -9.453 -18.505 -0.204 1.00 0.00 C ATOM 1030 CD GLU A 67 -10.926 -18.811 0.053 1.00 0.00 C ATOM 1031 OE1 GLU A 67 -11.629 -18.042 0.746 1.00 0.00 O ATOM 1032 OE2 GLU A 67 -11.380 -19.855 -0.457 1.00 0.00 O ATOM 0 H GLU A 67 -7.680 -15.188 -1.236 1.00 0.00 H new ATOM 0 HA GLU A 67 -10.408 -15.962 -0.328 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -7.772 -17.281 0.383 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -9.097 -17.266 1.530 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -9.311 -18.414 -1.281 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -8.869 -19.365 0.123 1.00 0.00 H new ATOM 1039 N GLU A 68 -10.123 -14.564 1.874 1.00 0.00 N ATOM 1040 CA GLU A 68 -10.133 -13.451 2.873 1.00 0.00 C ATOM 1041 C GLU A 68 -8.813 -13.169 3.682 1.00 0.00 C ATOM 1042 O GLU A 68 -8.184 -14.081 4.228 1.00 0.00 O ATOM 1043 CB GLU A 68 -11.369 -13.571 3.807 1.00 0.00 C ATOM 1044 CG GLU A 68 -11.412 -14.801 4.754 1.00 0.00 C ATOM 1045 CD GLU A 68 -11.896 -14.527 6.170 1.00 0.00 C ATOM 1046 OE1 GLU A 68 -13.050 -14.097 6.367 1.00 0.00 O ATOM 1047 OE2 GLU A 68 -11.101 -14.692 7.119 1.00 0.00 O ATOM 0 H GLU A 68 -10.909 -15.207 1.975 1.00 0.00 H new ATOM 0 HA GLU A 68 -10.203 -12.558 2.251 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -11.423 -12.670 4.418 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -12.264 -13.589 3.186 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -12.059 -15.557 4.309 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -10.411 -15.230 4.808 1.00 0.00 H new ATOM 1054 N CYS A 69 -8.409 -11.885 3.747 1.00 0.00 N ATOM 1055 CA CYS A 69 -7.180 -11.456 4.467 1.00 0.00 C ATOM 1056 C CYS A 69 -7.338 -10.068 5.151 1.00 0.00 C ATOM 1057 O CYS A 69 -7.633 -9.049 4.518 1.00 0.00 O ATOM 1058 CB CYS A 69 -5.965 -11.468 3.528 1.00 0.00 C ATOM 1059 SG CYS A 69 -6.318 -10.700 1.905 1.00 0.00 S ATOM 0 H CYS A 69 -8.916 -11.117 3.308 1.00 0.00 H new ATOM 0 HA CYS A 69 -7.014 -12.181 5.264 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -5.139 -10.939 4.003 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -5.639 -12.497 3.375 1.00 0.00 H new ATOM 0 HG CYS A 69 -7.009 -9.613 2.080 1.00 0.00 H new ATOM 1065 N GLU A 70 -7.087 -10.062 6.465 1.00 0.00 N ATOM 1066 CA GLU A 70 -7.198 -8.858 7.333 1.00 0.00 C ATOM 1067 C GLU A 70 -5.921 -7.955 7.333 1.00 0.00 C ATOM 1068 O GLU A 70 -4.839 -8.374 7.758 1.00 0.00 O ATOM 1069 CB GLU A 70 -7.696 -9.258 8.747 1.00 0.00 C ATOM 1070 CG GLU A 70 -6.875 -10.330 9.493 1.00 0.00 C ATOM 1071 CD GLU A 70 -7.320 -10.591 10.918 1.00 0.00 C ATOM 1072 OE1 GLU A 70 -8.456 -11.071 11.117 1.00 0.00 O ATOM 1073 OE2 GLU A 70 -6.524 -10.319 11.843 1.00 0.00 O ATOM 0 H GLU A 70 -6.797 -10.898 6.973 1.00 0.00 H new ATOM 0 HA GLU A 70 -7.956 -8.207 6.897 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -7.724 -8.360 9.364 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -8.722 -9.616 8.658 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -6.929 -11.264 8.933 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -5.829 -10.024 9.504 1.00 0.00 H new ATOM 1080 N LEU A 71 -6.067 -6.699 6.876 1.00 0.00 N ATOM 1081 CA LEU A 71 -4.949 -5.713 6.800 1.00 0.00 C ATOM 1082 C LEU A 71 -5.297 -4.412 7.594 1.00 0.00 C ATOM 1083 O LEU A 71 -6.420 -3.903 7.514 1.00 0.00 O ATOM 1084 CB LEU A 71 -4.652 -5.353 5.313 1.00 0.00 C ATOM 1085 CG LEU A 71 -4.279 -6.490 4.321 1.00 0.00 C ATOM 1086 CD1 LEU A 71 -4.011 -5.885 2.935 1.00 0.00 C ATOM 1087 CD2 LEU A 71 -3.058 -7.314 4.761 1.00 0.00 C ATOM 0 H LEU A 71 -6.959 -6.329 6.547 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.065 -6.168 7.247 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -5.531 -4.845 4.916 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.836 -4.630 5.306 1.00 0.00 H new ATOM 0 HG LEU A 71 -5.126 -7.175 4.295 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.749 -6.679 2.236 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -4.906 -5.372 2.583 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.188 -5.174 3.001 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.856 -8.089 4.021 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.190 -6.660 4.848 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.261 -7.778 5.726 1.00 0.00 H new ATOM 1099 N GLU A 72 -4.333 -3.842 8.341 1.00 0.00 N ATOM 1100 CA GLU A 72 -4.543 -2.561 9.085 1.00 0.00 C ATOM 1101 C GLU A 72 -4.716 -1.324 8.133 1.00 0.00 C ATOM 1102 O GLU A 72 -4.019 -1.149 7.129 1.00 0.00 O ATOM 1103 CB GLU A 72 -3.339 -2.381 10.051 1.00 0.00 C ATOM 1104 CG GLU A 72 -3.499 -1.237 11.088 1.00 0.00 C ATOM 1105 CD GLU A 72 -2.237 -0.890 11.853 1.00 0.00 C ATOM 1106 OE1 GLU A 72 -1.465 -0.021 11.391 1.00 0.00 O ATOM 1107 OE2 GLU A 72 -2.023 -1.415 12.965 1.00 0.00 O ATOM 0 H GLU A 72 -3.400 -4.238 8.453 1.00 0.00 H new ATOM 0 HA GLU A 72 -5.477 -2.616 9.644 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -3.178 -3.317 10.586 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -2.443 -2.193 9.460 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -3.851 -0.344 10.571 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -4.274 -1.518 11.801 1.00 0.00 H new ATOM 1114 N THR A 73 -5.682 -0.477 8.496 1.00 0.00 N ATOM 1115 CA THR A 73 -6.027 0.778 7.771 1.00 0.00 C ATOM 1116 C THR A 73 -5.588 2.046 8.570 1.00 0.00 C ATOM 1117 O THR A 73 -5.357 2.024 9.784 1.00 0.00 O ATOM 1118 CB THR A 73 -7.558 0.756 7.425 1.00 0.00 C ATOM 1119 OG1 THR A 73 -7.998 1.988 6.861 1.00 0.00 O ATOM 1120 CG2 THR A 73 -8.521 0.462 8.584 1.00 0.00 C ATOM 0 H THR A 73 -6.266 -0.635 9.317 1.00 0.00 H new ATOM 0 HA THR A 73 -5.470 0.831 6.835 1.00 0.00 H new ATOM 0 HB THR A 73 -7.605 -0.077 6.723 1.00 0.00 H new ATOM 0 HG1 THR A 73 -8.687 2.383 7.435 1.00 0.00 H new ATOM 0 HG21 THR A 73 -9.547 0.475 8.217 1.00 0.00 H new ATOM 0 HG22 THR A 73 -8.298 -0.519 9.003 1.00 0.00 H new ATOM 0 HG23 THR A 73 -8.403 1.222 9.357 1.00 0.00 H new ATOM 1128 N MET A 74 -5.507 3.179 7.853 1.00 0.00 N ATOM 1129 CA MET A 74 -5.275 4.518 8.486 1.00 0.00 C ATOM 1130 C MET A 74 -6.532 4.981 9.296 1.00 0.00 C ATOM 1131 O MET A 74 -6.434 5.193 10.507 1.00 0.00 O ATOM 1132 CB MET A 74 -4.807 5.556 7.430 1.00 0.00 C ATOM 1133 CG MET A 74 -3.333 5.446 7.004 1.00 0.00 C ATOM 1134 SD MET A 74 -2.262 5.747 8.425 1.00 0.00 S ATOM 1135 CE MET A 74 -1.527 4.119 8.634 1.00 0.00 C ATOM 0 H MET A 74 -5.596 3.210 6.837 1.00 0.00 H new ATOM 0 HA MET A 74 -4.464 4.430 9.209 1.00 0.00 H new ATOM 0 HB2 MET A 74 -5.432 5.454 6.543 1.00 0.00 H new ATOM 0 HB3 MET A 74 -4.979 6.556 7.828 1.00 0.00 H new ATOM 0 HG2 MET A 74 -3.137 4.456 6.592 1.00 0.00 H new ATOM 0 HG3 MET A 74 -3.118 6.167 6.216 1.00 0.00 H new ATOM 0 HE1 MET A 74 -0.836 4.137 9.477 1.00 0.00 H new ATOM 0 HE2 MET A 74 -2.312 3.387 8.824 1.00 0.00 H new ATOM 0 HE3 MET A 74 -0.987 3.845 7.728 1.00 0.00 H new ATOM 1145 N THR A 75 -7.701 5.114 8.640 1.00 0.00 N ATOM 1146 CA THR A 75 -8.997 5.346 9.336 1.00 0.00 C ATOM 1147 C THR A 75 -9.701 3.952 9.433 1.00 0.00 C ATOM 1148 O THR A 75 -9.953 3.286 8.416 1.00 0.00 O ATOM 1149 CB THR A 75 -9.876 6.397 8.600 1.00 0.00 C ATOM 1150 OG1 THR A 75 -9.159 7.614 8.426 1.00 0.00 O ATOM 1151 CG2 THR A 75 -11.167 6.776 9.345 1.00 0.00 C ATOM 0 H THR A 75 -7.782 5.066 7.624 1.00 0.00 H new ATOM 0 HA THR A 75 -8.833 5.765 10.329 1.00 0.00 H new ATOM 0 HB THR A 75 -10.135 5.916 7.657 1.00 0.00 H new ATOM 0 HG1 THR A 75 -9.771 8.372 8.531 1.00 0.00 H new ATOM 0 HG21 THR A 75 -11.720 7.513 8.763 1.00 0.00 H new ATOM 0 HG22 THR A 75 -11.782 5.887 9.483 1.00 0.00 H new ATOM 0 HG23 THR A 75 -10.915 7.197 10.318 1.00 0.00 H new ATOM 1159 N GLY A 76 -9.982 3.513 10.666 1.00 0.00 N ATOM 1160 CA GLY A 76 -10.691 2.234 10.926 1.00 0.00 C ATOM 1161 C GLY A 76 -10.109 1.329 12.027 1.00 0.00 C ATOM 1162 O GLY A 76 -10.151 1.688 13.205 1.00 0.00 O ATOM 0 H GLY A 76 -9.730 4.023 11.513 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -11.724 2.465 11.187 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -10.717 1.665 9.997 1.00 0.00 H new ATOM 1166 N GLU A 77 -9.629 0.134 11.638 1.00 0.00 N ATOM 1167 CA GLU A 77 -9.273 -0.960 12.579 1.00 0.00 C ATOM 1168 C GLU A 77 -8.417 -2.029 11.826 1.00 0.00 C ATOM 1169 O GLU A 77 -7.185 -2.026 11.894 1.00 0.00 O ATOM 1170 CB GLU A 77 -10.521 -1.483 13.373 1.00 0.00 C ATOM 1171 CG GLU A 77 -11.720 -2.160 12.646 1.00 0.00 C ATOM 1172 CD GLU A 77 -12.335 -1.469 11.430 1.00 0.00 C ATOM 1173 OE1 GLU A 77 -11.878 -1.714 10.290 1.00 0.00 O ATOM 1174 OE2 GLU A 77 -13.280 -0.668 11.582 1.00 0.00 O ATOM 0 H GLU A 77 -9.474 -0.108 10.659 1.00 0.00 H new ATOM 0 HA GLU A 77 -8.632 -0.590 13.380 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -10.152 -2.197 14.109 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -10.924 -0.634 13.926 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -11.396 -3.152 12.332 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -12.513 -2.301 13.380 1.00 0.00 H new ATOM 1181 N LYS A 78 -9.084 -2.925 11.084 1.00 0.00 N ATOM 1182 CA LYS A 78 -8.457 -4.010 10.298 1.00 0.00 C ATOM 1183 C LYS A 78 -9.492 -4.495 9.241 1.00 0.00 C ATOM 1184 O LYS A 78 -10.534 -5.068 9.576 1.00 0.00 O ATOM 1185 CB LYS A 78 -7.960 -5.154 11.232 1.00 0.00 C ATOM 1186 CG LYS A 78 -6.630 -5.753 10.751 1.00 0.00 C ATOM 1187 CD LYS A 78 -6.137 -6.898 11.655 1.00 0.00 C ATOM 1188 CE LYS A 78 -4.783 -7.465 11.195 1.00 0.00 C ATOM 1189 NZ LYS A 78 -4.493 -8.704 11.960 1.00 0.00 N ATOM 0 H LYS A 78 -10.101 -2.919 11.009 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.570 -3.650 9.777 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -7.839 -4.769 12.244 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -8.715 -5.938 11.278 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -6.750 -6.124 9.733 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -5.873 -4.969 10.718 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -6.047 -6.536 12.679 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -6.879 -7.697 11.663 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -4.808 -7.679 10.127 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -3.994 -6.731 11.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -3.864 -9.317 11.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -4.030 -8.457 12.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -5.382 -9.207 12.156 1.00 0.00 H new ATOM 1203 N VAL A 79 -9.201 -4.250 7.957 1.00 0.00 N ATOM 1204 CA VAL A 79 -10.134 -4.543 6.837 1.00 0.00 C ATOM 1205 C VAL A 79 -9.852 -5.916 6.151 1.00 0.00 C ATOM 1206 O VAL A 79 -8.717 -6.196 5.747 1.00 0.00 O ATOM 1207 CB VAL A 79 -10.107 -3.318 5.860 1.00 0.00 C ATOM 1208 CG1 VAL A 79 -8.811 -3.093 5.051 1.00 0.00 C ATOM 1209 CG2 VAL A 79 -11.292 -3.320 4.878 1.00 0.00 C ATOM 0 H VAL A 79 -8.316 -3.844 7.655 1.00 0.00 H new ATOM 0 HA VAL A 79 -11.148 -4.665 7.218 1.00 0.00 H new ATOM 0 HB VAL A 79 -10.175 -2.487 6.562 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -8.926 -2.215 4.416 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -7.977 -2.939 5.736 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -8.614 -3.966 4.430 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -11.224 -2.450 4.225 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -11.265 -4.229 4.277 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -12.227 -3.282 5.436 1.00 0.00 H new ATOM 1219 N LYS A 80 -10.894 -6.759 5.987 1.00 0.00 N ATOM 1220 CA LYS A 80 -10.773 -8.036 5.224 1.00 0.00 C ATOM 1221 C LYS A 80 -10.948 -7.742 3.697 1.00 0.00 C ATOM 1222 O LYS A 80 -12.051 -7.748 3.145 1.00 0.00 O ATOM 1223 CB LYS A 80 -11.699 -9.139 5.804 1.00 0.00 C ATOM 1224 CG LYS A 80 -11.140 -9.759 7.109 1.00 0.00 C ATOM 1225 CD LYS A 80 -11.864 -11.037 7.566 1.00 0.00 C ATOM 1226 CE LYS A 80 -11.185 -11.680 8.795 1.00 0.00 C ATOM 1227 NZ LYS A 80 -11.767 -13.029 9.016 1.00 0.00 N ATOM 0 H LYS A 80 -11.825 -6.587 6.367 1.00 0.00 H new ATOM 0 HA LYS A 80 -9.774 -8.457 5.339 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -12.684 -8.715 6.000 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -11.832 -9.925 5.060 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -10.084 -9.986 6.966 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -11.201 -9.017 7.905 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -12.900 -10.800 7.807 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -11.884 -11.755 6.746 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -10.109 -11.755 8.635 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -11.333 -11.057 9.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -11.691 -13.279 10.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -12.768 -13.025 8.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -11.250 -13.728 8.445 1.00 0.00 H new ATOM 1241 N THR A 81 -9.809 -7.455 3.051 1.00 0.00 N ATOM 1242 CA THR A 81 -9.724 -7.002 1.637 1.00 0.00 C ATOM 1243 C THR A 81 -9.022 -8.095 0.777 1.00 0.00 C ATOM 1244 O THR A 81 -7.798 -8.253 0.827 1.00 0.00 O ATOM 1245 CB THR A 81 -9.011 -5.606 1.638 1.00 0.00 C ATOM 1246 OG1 THR A 81 -9.027 -5.003 0.352 1.00 0.00 O ATOM 1247 CG2 THR A 81 -7.551 -5.575 2.134 1.00 0.00 C ATOM 0 H THR A 81 -8.895 -7.530 3.499 1.00 0.00 H new ATOM 0 HA THR A 81 -10.703 -6.869 1.176 1.00 0.00 H new ATOM 0 HB THR A 81 -9.607 -5.053 2.363 1.00 0.00 H new ATOM 0 HG1 THR A 81 -8.614 -5.609 -0.298 1.00 0.00 H new ATOM 0 HG21 THR A 81 -7.172 -4.554 2.086 1.00 0.00 H new ATOM 0 HG22 THR A 81 -7.509 -5.929 3.164 1.00 0.00 H new ATOM 0 HG23 THR A 81 -6.939 -6.219 1.503 1.00 0.00 H new ATOM 1255 N VAL A 82 -9.783 -8.865 -0.025 1.00 0.00 N ATOM 1256 CA VAL A 82 -9.176 -9.903 -0.917 1.00 0.00 C ATOM 1257 C VAL A 82 -8.614 -9.245 -2.217 1.00 0.00 C ATOM 1258 O VAL A 82 -9.222 -8.344 -2.809 1.00 0.00 O ATOM 1259 CB VAL A 82 -10.068 -11.166 -1.133 1.00 0.00 C ATOM 1260 CG1 VAL A 82 -11.261 -11.050 -2.093 1.00 0.00 C ATOM 1261 CG2 VAL A 82 -9.242 -12.335 -1.685 1.00 0.00 C ATOM 0 H VAL A 82 -10.799 -8.800 -0.082 1.00 0.00 H new ATOM 0 HA VAL A 82 -8.318 -10.328 -0.396 1.00 0.00 H new ATOM 0 HB VAL A 82 -10.463 -11.311 -0.128 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -11.784 -12.005 -2.140 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -11.943 -10.280 -1.734 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -10.903 -10.783 -3.087 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -9.887 -13.202 -1.826 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -8.802 -12.050 -2.641 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -8.448 -12.584 -0.981 1.00 0.00 H new ATOM 1271 N VAL A 83 -7.419 -9.684 -2.626 1.00 0.00 N ATOM 1272 CA VAL A 83 -6.683 -9.084 -3.771 1.00 0.00 C ATOM 1273 C VAL A 83 -6.739 -10.048 -5.002 1.00 0.00 C ATOM 1274 O VAL A 83 -6.500 -11.252 -4.872 1.00 0.00 O ATOM 1275 CB VAL A 83 -5.227 -8.698 -3.321 1.00 0.00 C ATOM 1276 CG1 VAL A 83 -4.547 -7.780 -4.354 1.00 0.00 C ATOM 1277 CG2 VAL A 83 -5.085 -7.982 -1.947 1.00 0.00 C ATOM 0 H VAL A 83 -6.927 -10.460 -2.183 1.00 0.00 H new ATOM 0 HA VAL A 83 -7.157 -8.157 -4.093 1.00 0.00 H new ATOM 0 HB VAL A 83 -4.753 -9.675 -3.232 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -3.542 -7.531 -4.014 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -4.488 -8.293 -5.314 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -5.129 -6.865 -4.467 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -4.033 -7.771 -1.754 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -5.646 -7.048 -1.964 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -5.476 -8.626 -1.159 1.00 0.00 H new ATOM 1287 N GLN A 84 -7.071 -9.523 -6.194 1.00 0.00 N ATOM 1288 CA GLN A 84 -7.088 -10.311 -7.463 1.00 0.00 C ATOM 1289 C GLN A 84 -5.857 -9.914 -8.338 1.00 0.00 C ATOM 1290 O GLN A 84 -5.526 -8.733 -8.485 1.00 0.00 O ATOM 1291 CB GLN A 84 -8.424 -10.097 -8.226 1.00 0.00 C ATOM 1292 CG GLN A 84 -9.628 -10.983 -7.806 1.00 0.00 C ATOM 1293 CD GLN A 84 -10.127 -10.850 -6.361 1.00 0.00 C ATOM 1294 OE1 GLN A 84 -10.739 -9.865 -5.964 1.00 0.00 O ATOM 1295 NE2 GLN A 84 -9.894 -11.841 -5.535 1.00 0.00 N ATOM 0 H GLN A 84 -7.336 -8.546 -6.317 1.00 0.00 H new ATOM 0 HA GLN A 84 -7.018 -11.373 -7.230 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -8.716 -9.053 -8.111 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -8.237 -10.261 -9.287 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -10.461 -10.759 -8.473 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -9.356 -12.025 -7.975 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -9.385 -12.664 -5.857 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -10.221 -11.789 -4.570 1.00 0.00 H new ATOM 1304 N LEU A 85 -5.201 -10.921 -8.933 1.00 0.00 N ATOM 1305 CA LEU A 85 -3.957 -10.741 -9.720 1.00 0.00 C ATOM 1306 C LEU A 85 -4.152 -10.992 -11.251 1.00 0.00 C ATOM 1307 O LEU A 85 -4.617 -12.060 -11.660 1.00 0.00 O ATOM 1308 CB LEU A 85 -2.920 -11.715 -9.085 1.00 0.00 C ATOM 1309 CG LEU A 85 -1.512 -11.760 -9.728 1.00 0.00 C ATOM 1310 CD1 LEU A 85 -0.794 -10.400 -9.717 1.00 0.00 C ATOM 1311 CD2 LEU A 85 -0.635 -12.814 -9.033 1.00 0.00 C ATOM 0 H LEU A 85 -5.514 -11.891 -8.886 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.617 -9.706 -9.673 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -2.804 -11.449 -8.034 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.338 -12.721 -9.114 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.665 -12.032 -10.772 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.186 -10.502 -10.182 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -1.385 -9.672 -10.273 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.674 -10.060 -8.688 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.351 -12.831 -9.498 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -0.533 -12.564 -7.977 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -1.099 -13.795 -9.130 1.00 0.00 H new ATOM 1323 N GLU A 86 -3.729 -10.022 -12.082 1.00 0.00 N ATOM 1324 CA GLU A 86 -3.692 -10.169 -13.565 1.00 0.00 C ATOM 1325 C GLU A 86 -2.198 -10.163 -14.047 1.00 0.00 C ATOM 1326 O GLU A 86 -1.401 -9.275 -13.712 1.00 0.00 O ATOM 1327 CB GLU A 86 -4.520 -9.041 -14.227 1.00 0.00 C ATOM 1328 CG GLU A 86 -4.771 -9.175 -15.752 1.00 0.00 C ATOM 1329 CD GLU A 86 -5.356 -7.922 -16.389 1.00 0.00 C ATOM 1330 OE1 GLU A 86 -6.584 -7.718 -16.297 1.00 0.00 O ATOM 1331 OE2 GLU A 86 -4.588 -7.139 -16.990 1.00 0.00 O ATOM 0 H GLU A 86 -3.402 -9.113 -11.754 1.00 0.00 H new ATOM 0 HA GLU A 86 -4.139 -11.118 -13.862 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -5.486 -8.986 -13.725 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -4.013 -8.093 -14.046 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -3.830 -9.418 -16.246 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -5.448 -10.011 -15.928 1.00 0.00 H new ATOM 1338 N GLY A 87 -1.837 -11.195 -14.828 1.00 0.00 N ATOM 1339 CA GLY A 87 -0.482 -11.341 -15.453 1.00 0.00 C ATOM 1340 C GLY A 87 0.825 -11.298 -14.627 1.00 0.00 C ATOM 1341 O GLY A 87 1.870 -10.918 -15.157 1.00 0.00 O ATOM 0 H GLY A 87 -2.469 -11.963 -15.054 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -0.484 -12.294 -15.983 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -0.400 -10.557 -16.206 1.00 0.00 H new ATOM 1345 N ASP A 88 0.751 -11.685 -13.352 1.00 0.00 N ATOM 1346 CA ASP A 88 1.869 -11.541 -12.361 1.00 0.00 C ATOM 1347 C ASP A 88 2.403 -10.069 -12.116 1.00 0.00 C ATOM 1348 O ASP A 88 3.533 -9.866 -11.664 1.00 0.00 O ATOM 1349 CB ASP A 88 2.952 -12.643 -12.566 1.00 0.00 C ATOM 1350 CG ASP A 88 3.833 -12.951 -11.346 1.00 0.00 C ATOM 1351 OD1 ASP A 88 3.308 -13.026 -10.212 1.00 0.00 O ATOM 1352 OD2 ASP A 88 5.055 -13.143 -11.521 1.00 0.00 O ATOM 0 H ASP A 88 -0.085 -12.113 -12.955 1.00 0.00 H new ATOM 0 HA ASP A 88 1.429 -11.734 -11.383 1.00 0.00 H new ATOM 0 HB2 ASP A 88 2.454 -13.563 -12.872 1.00 0.00 H new ATOM 0 HB3 ASP A 88 3.598 -12.341 -13.390 1.00 0.00 H new ATOM 1357 N ASN A 89 1.570 -9.031 -12.356 1.00 0.00 N ATOM 1358 CA ASN A 89 1.955 -7.605 -12.151 1.00 0.00 C ATOM 1359 C ASN A 89 0.831 -6.640 -11.645 1.00 0.00 C ATOM 1360 O ASN A 89 1.178 -5.653 -10.996 1.00 0.00 O ATOM 1361 CB ASN A 89 2.740 -7.054 -13.375 1.00 0.00 C ATOM 1362 CG ASN A 89 1.953 -6.516 -14.582 1.00 0.00 C ATOM 1363 OD1 ASN A 89 0.993 -7.102 -15.070 1.00 0.00 O ATOM 1364 ND2 ASN A 89 2.331 -5.366 -15.089 1.00 0.00 N ATOM 0 H ASN A 89 0.616 -9.151 -12.696 1.00 0.00 H new ATOM 0 HA ASN A 89 2.627 -7.626 -11.293 1.00 0.00 H new ATOM 0 HB2 ASN A 89 3.386 -6.251 -13.018 1.00 0.00 H new ATOM 0 HB3 ASN A 89 3.391 -7.851 -13.735 1.00 0.00 H new ATOM 0 HD21 ASN A 89 1.827 -4.968 -15.882 1.00 0.00 H new ATOM 0 HD22 ASN A 89 3.128 -4.870 -14.690 1.00 0.00 H new ATOM 1371 N LYS A 90 -0.465 -6.867 -11.933 1.00 0.00 N ATOM 1372 CA LYS A 90 -1.567 -5.954 -11.510 1.00 0.00 C ATOM 1373 C LYS A 90 -2.388 -6.579 -10.337 1.00 0.00 C ATOM 1374 O LYS A 90 -3.124 -7.551 -10.535 1.00 0.00 O ATOM 1375 CB LYS A 90 -2.499 -5.698 -12.724 1.00 0.00 C ATOM 1376 CG LYS A 90 -1.912 -4.948 -13.943 1.00 0.00 C ATOM 1377 CD LYS A 90 -2.804 -5.141 -15.188 1.00 0.00 C ATOM 1378 CE LYS A 90 -2.242 -4.589 -16.508 1.00 0.00 C ATOM 1379 NZ LYS A 90 -2.305 -3.102 -16.557 1.00 0.00 N ATOM 0 H LYS A 90 -0.785 -7.679 -12.461 1.00 0.00 H new ATOM 0 HA LYS A 90 -1.137 -5.015 -11.161 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -2.868 -6.663 -13.071 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -3.363 -5.135 -12.370 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -1.824 -3.886 -13.714 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -0.906 -5.313 -14.151 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -2.993 -6.207 -15.314 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -3.767 -4.666 -14.999 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -1.208 -4.913 -16.627 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -2.804 -5.004 -17.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -2.213 -2.783 -17.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -3.216 -2.780 -16.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -1.530 -2.703 -15.990 1.00 0.00 H new ATOM 1393 N LEU A 91 -2.285 -6.004 -9.131 1.00 0.00 N ATOM 1394 CA LEU A 91 -3.044 -6.462 -7.931 1.00 0.00 C ATOM 1395 C LEU A 91 -4.209 -5.471 -7.619 1.00 0.00 C ATOM 1396 O LEU A 91 -3.966 -4.301 -7.309 1.00 0.00 O ATOM 1397 CB LEU A 91 -2.068 -6.547 -6.729 1.00 0.00 C ATOM 1398 CG LEU A 91 -1.099 -7.751 -6.663 1.00 0.00 C ATOM 1399 CD1 LEU A 91 -0.070 -7.486 -5.556 1.00 0.00 C ATOM 1400 CD2 LEU A 91 -1.798 -9.092 -6.373 1.00 0.00 C ATOM 0 H LEU A 91 -1.676 -5.207 -8.947 1.00 0.00 H new ATOM 0 HA LEU A 91 -3.478 -7.444 -8.120 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -1.470 -5.636 -6.720 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -2.663 -6.547 -5.816 1.00 0.00 H new ATOM 0 HG LEU A 91 -0.635 -7.842 -7.645 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.623 -8.325 -5.495 1.00 0.00 H new ATOM 0 HD12 LEU A 91 0.483 -6.575 -5.784 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.584 -7.369 -4.602 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -1.056 -9.890 -6.341 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -2.311 -9.035 -5.413 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -2.523 -9.302 -7.159 1.00 0.00 H new ATOM 1412 N VAL A 92 -5.469 -5.937 -7.662 1.00 0.00 N ATOM 1413 CA VAL A 92 -6.669 -5.067 -7.439 1.00 0.00 C ATOM 1414 C VAL A 92 -7.489 -5.512 -6.179 1.00 0.00 C ATOM 1415 O VAL A 92 -7.839 -6.691 -6.051 1.00 0.00 O ATOM 1416 CB VAL A 92 -7.551 -4.950 -8.735 1.00 0.00 C ATOM 1417 CG1 VAL A 92 -6.808 -4.296 -9.922 1.00 0.00 C ATOM 1418 CG2 VAL A 92 -8.207 -6.258 -9.236 1.00 0.00 C ATOM 0 H VAL A 92 -5.698 -6.913 -7.849 1.00 0.00 H new ATOM 0 HA VAL A 92 -6.308 -4.061 -7.223 1.00 0.00 H new ATOM 0 HB VAL A 92 -8.356 -4.303 -8.386 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -7.473 -4.246 -10.784 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -6.496 -3.289 -9.645 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -5.931 -4.891 -10.175 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -8.789 -6.052 -10.134 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -7.432 -6.989 -9.466 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -8.863 -6.656 -8.462 1.00 0.00 H new ATOM 1428 N THR A 93 -7.821 -4.580 -5.255 1.00 0.00 N ATOM 1429 CA THR A 93 -8.645 -4.898 -4.042 1.00 0.00 C ATOM 1430 C THR A 93 -9.676 -3.774 -3.673 1.00 0.00 C ATOM 1431 O THR A 93 -9.670 -2.657 -4.208 1.00 0.00 O ATOM 1432 CB THR A 93 -7.745 -5.379 -2.855 1.00 0.00 C ATOM 1433 OG1 THR A 93 -8.530 -6.102 -1.910 1.00 0.00 O ATOM 1434 CG2 THR A 93 -6.960 -4.312 -2.071 1.00 0.00 C ATOM 0 H THR A 93 -7.537 -3.602 -5.317 1.00 0.00 H new ATOM 0 HA THR A 93 -9.282 -5.745 -4.295 1.00 0.00 H new ATOM 0 HB THR A 93 -6.992 -5.982 -3.361 1.00 0.00 H new ATOM 0 HG1 THR A 93 -9.054 -6.787 -2.376 1.00 0.00 H new ATOM 0 HG21 THR A 93 -6.383 -4.792 -1.281 1.00 0.00 H new ATOM 0 HG22 THR A 93 -6.284 -3.788 -2.747 1.00 0.00 H new ATOM 0 HG23 THR A 93 -7.656 -3.599 -1.630 1.00 0.00 H new ATOM 1442 N THR A 94 -10.621 -4.127 -2.786 1.00 0.00 N ATOM 1443 CA THR A 94 -11.666 -3.201 -2.253 1.00 0.00 C ATOM 1444 C THR A 94 -11.370 -3.019 -0.729 1.00 0.00 C ATOM 1445 O THR A 94 -11.673 -3.901 0.082 1.00 0.00 O ATOM 1446 CB THR A 94 -13.093 -3.774 -2.528 1.00 0.00 C ATOM 1447 OG1 THR A 94 -13.308 -4.027 -3.914 1.00 0.00 O ATOM 1448 CG2 THR A 94 -14.236 -2.839 -2.100 1.00 0.00 C ATOM 0 H THR A 94 -10.692 -5.071 -2.407 1.00 0.00 H new ATOM 0 HA THR A 94 -11.638 -2.230 -2.747 1.00 0.00 H new ATOM 0 HB THR A 94 -13.115 -4.688 -1.934 1.00 0.00 H new ATOM 0 HG1 THR A 94 -13.906 -3.343 -4.282 1.00 0.00 H new ATOM 0 HG21 THR A 94 -15.194 -3.309 -2.324 1.00 0.00 H new ATOM 0 HG22 THR A 94 -14.168 -2.647 -1.029 1.00 0.00 H new ATOM 0 HG23 THR A 94 -14.158 -1.897 -2.643 1.00 0.00 H new ATOM 1456 N PHE A 95 -10.781 -1.874 -0.347 1.00 0.00 N ATOM 1457 CA PHE A 95 -10.346 -1.605 1.055 1.00 0.00 C ATOM 1458 C PHE A 95 -11.518 -0.974 1.903 1.00 0.00 C ATOM 1459 O PHE A 95 -12.649 -1.469 1.853 1.00 0.00 O ATOM 1460 CB PHE A 95 -9.035 -0.769 0.858 1.00 0.00 C ATOM 1461 CG PHE A 95 -7.978 -0.833 1.963 1.00 0.00 C ATOM 1462 CD1 PHE A 95 -7.085 -1.905 1.974 1.00 0.00 C ATOM 1463 CD2 PHE A 95 -7.836 0.188 2.910 1.00 0.00 C ATOM 1464 CE1 PHE A 95 -6.111 -2.000 2.964 1.00 0.00 C ATOM 1465 CE2 PHE A 95 -6.848 0.101 3.887 1.00 0.00 C ATOM 1466 CZ PHE A 95 -5.998 -1.001 3.927 1.00 0.00 C ATOM 0 H PHE A 95 -10.589 -1.105 -0.989 1.00 0.00 H new ATOM 0 HA PHE A 95 -10.117 -2.478 1.667 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -8.568 -1.092 -0.072 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -9.319 0.275 0.726 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -7.150 -2.666 1.210 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -8.494 1.044 2.883 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -5.443 -2.848 2.985 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -6.741 0.891 4.616 1.00 0.00 H new ATOM 0 HZ PHE A 95 -5.252 -1.081 4.704 1.00 0.00 H new ATOM 1476 N LYS A 96 -11.296 0.096 2.698 1.00 0.00 N ATOM 1477 CA LYS A 96 -12.389 0.811 3.436 1.00 0.00 C ATOM 1478 C LYS A 96 -13.044 1.850 2.459 1.00 0.00 C ATOM 1479 O LYS A 96 -12.715 3.040 2.484 1.00 0.00 O ATOM 1480 CB LYS A 96 -11.818 1.504 4.710 1.00 0.00 C ATOM 1481 CG LYS A 96 -11.187 0.629 5.819 1.00 0.00 C ATOM 1482 CD LYS A 96 -12.140 -0.175 6.733 1.00 0.00 C ATOM 1483 CE LYS A 96 -12.949 0.663 7.742 1.00 0.00 C ATOM 1484 NZ LYS A 96 -13.535 -0.235 8.778 1.00 0.00 N ATOM 0 H LYS A 96 -10.369 0.493 2.853 1.00 0.00 H new ATOM 0 HA LYS A 96 -13.149 0.104 3.769 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -11.063 2.219 4.385 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -12.626 2.078 5.163 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -10.506 -0.076 5.342 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -10.582 1.277 6.453 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -12.837 -0.729 6.105 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -11.554 -0.910 7.284 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -12.305 1.407 8.212 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -13.741 1.207 7.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -13.813 0.327 9.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -14.372 -0.714 8.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -12.830 -0.945 9.061 1.00 0.00 H new ATOM 1498 N ASN A 97 -13.934 1.388 1.554 1.00 0.00 N ATOM 1499 CA ASN A 97 -14.514 2.215 0.451 1.00 0.00 C ATOM 1500 C ASN A 97 -13.471 2.880 -0.537 1.00 0.00 C ATOM 1501 O ASN A 97 -13.699 3.966 -1.077 1.00 0.00 O ATOM 1502 CB ASN A 97 -15.596 3.176 1.015 1.00 0.00 C ATOM 1503 CG ASN A 97 -16.788 2.537 1.744 1.00 0.00 C ATOM 1504 OD1 ASN A 97 -16.751 2.272 2.940 1.00 0.00 O ATOM 1505 ND2 ASN A 97 -17.875 2.263 1.062 1.00 0.00 N ATOM 0 H ASN A 97 -14.278 0.428 1.560 1.00 0.00 H new ATOM 0 HA ASN A 97 -15.013 1.523 -0.228 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -15.109 3.867 1.703 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -15.984 3.771 0.188 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -18.675 1.835 1.528 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -17.920 2.478 0.066 1.00 0.00 H new ATOM 1512 N ILE A 98 -12.344 2.190 -0.797 1.00 0.00 N ATOM 1513 CA ILE A 98 -11.212 2.688 -1.636 1.00 0.00 C ATOM 1514 C ILE A 98 -10.836 1.525 -2.616 1.00 0.00 C ATOM 1515 O ILE A 98 -10.596 0.387 -2.187 1.00 0.00 O ATOM 1516 CB ILE A 98 -9.979 3.083 -0.734 1.00 0.00 C ATOM 1517 CG1 ILE A 98 -10.241 4.159 0.367 1.00 0.00 C ATOM 1518 CG2 ILE A 98 -8.736 3.530 -1.549 1.00 0.00 C ATOM 1519 CD1 ILE A 98 -9.525 3.873 1.700 1.00 0.00 C ATOM 0 H ILE A 98 -12.182 1.253 -0.428 1.00 0.00 H new ATOM 0 HA ILE A 98 -11.498 3.584 -2.187 1.00 0.00 H new ATOM 0 HB ILE A 98 -9.786 2.139 -0.225 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -9.920 5.132 -0.005 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -11.314 4.225 0.549 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -7.926 3.787 -0.866 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -8.417 2.717 -2.201 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -8.991 4.401 -2.153 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -9.755 4.664 2.414 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -9.864 2.916 2.097 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -8.448 3.836 1.534 1.00 0.00 H new ATOM 1531 N LYS A 99 -10.736 1.808 -3.928 1.00 0.00 N ATOM 1532 CA LYS A 99 -10.273 0.798 -4.918 1.00 0.00 C ATOM 1533 C LYS A 99 -8.717 0.905 -5.063 1.00 0.00 C ATOM 1534 O LYS A 99 -8.195 1.816 -5.721 1.00 0.00 O ATOM 1535 CB LYS A 99 -11.075 0.965 -6.234 1.00 0.00 C ATOM 1536 CG LYS A 99 -10.833 -0.149 -7.292 1.00 0.00 C ATOM 1537 CD LYS A 99 -12.076 -0.992 -7.666 1.00 0.00 C ATOM 1538 CE LYS A 99 -12.742 -1.804 -6.534 1.00 0.00 C ATOM 1539 NZ LYS A 99 -11.883 -2.920 -6.056 1.00 0.00 N ATOM 0 H LYS A 99 -10.965 2.716 -4.332 1.00 0.00 H new ATOM 0 HA LYS A 99 -10.470 -0.222 -4.588 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -12.138 0.994 -5.994 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -10.822 1.928 -6.677 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -10.443 0.313 -8.199 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -10.060 -0.820 -6.918 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -12.825 -0.322 -8.087 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -11.789 -1.686 -8.456 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -12.969 -1.140 -5.699 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -13.691 -2.206 -6.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -12.417 -3.506 -5.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -11.589 -3.503 -6.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -11.041 -2.533 -5.585 1.00 0.00 H new ATOM 1553 N SER A 100 -7.994 -0.026 -4.413 1.00 0.00 N ATOM 1554 CA SER A 100 -6.507 -0.051 -4.413 1.00 0.00 C ATOM 1555 C SER A 100 -5.951 -0.904 -5.590 1.00 0.00 C ATOM 1556 O SER A 100 -6.209 -2.109 -5.677 1.00 0.00 O ATOM 1557 CB SER A 100 -6.039 -0.561 -3.033 1.00 0.00 C ATOM 1558 OG SER A 100 -4.619 -0.468 -2.898 1.00 0.00 O ATOM 0 H SER A 100 -8.416 -0.782 -3.873 1.00 0.00 H new ATOM 0 HA SER A 100 -6.112 0.952 -4.573 1.00 0.00 H new ATOM 0 HB2 SER A 100 -6.520 0.020 -2.246 1.00 0.00 H new ATOM 0 HB3 SER A 100 -6.352 -1.597 -2.901 1.00 0.00 H new ATOM 0 HG SER A 100 -4.352 -0.796 -2.014 1.00 0.00 H new ATOM 1564 N VAL A 101 -5.184 -0.256 -6.478 1.00 0.00 N ATOM 1565 CA VAL A 101 -4.602 -0.894 -7.694 1.00 0.00 C ATOM 1566 C VAL A 101 -3.044 -0.836 -7.562 1.00 0.00 C ATOM 1567 O VAL A 101 -2.449 0.240 -7.694 1.00 0.00 O ATOM 1568 CB VAL A 101 -5.137 -0.160 -8.979 1.00 0.00 C ATOM 1569 CG1 VAL A 101 -4.502 -0.682 -10.290 1.00 0.00 C ATOM 1570 CG2 VAL A 101 -6.675 -0.212 -9.154 1.00 0.00 C ATOM 0 H VAL A 101 -4.942 0.730 -6.383 1.00 0.00 H new ATOM 0 HA VAL A 101 -4.900 -1.938 -7.787 1.00 0.00 H new ATOM 0 HB VAL A 101 -4.838 0.873 -8.802 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -4.914 -0.134 -11.137 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -3.422 -0.537 -10.254 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -4.722 -1.744 -10.403 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -6.956 0.318 -10.064 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -6.998 -1.251 -9.225 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -7.155 0.260 -8.297 1.00 0.00 H new ATOM 1580 N THR A 102 -2.376 -1.979 -7.326 1.00 0.00 N ATOM 1581 CA THR A 102 -0.887 -2.036 -7.228 1.00 0.00 C ATOM 1582 C THR A 102 -0.299 -2.611 -8.559 1.00 0.00 C ATOM 1583 O THR A 102 -0.521 -3.794 -8.845 1.00 0.00 O ATOM 1584 CB THR A 102 -0.387 -2.832 -5.979 1.00 0.00 C ATOM 1585 OG1 THR A 102 -1.183 -2.615 -4.814 1.00 0.00 O ATOM 1586 CG2 THR A 102 1.067 -2.511 -5.610 1.00 0.00 C ATOM 0 H THR A 102 -2.834 -2.881 -7.198 1.00 0.00 H new ATOM 0 HA THR A 102 -0.521 -1.019 -7.086 1.00 0.00 H new ATOM 0 HB THR A 102 -0.471 -3.874 -6.287 1.00 0.00 H new ATOM 0 HG1 THR A 102 -1.186 -1.660 -4.593 1.00 0.00 H new ATOM 0 HG21 THR A 102 1.358 -3.093 -4.736 1.00 0.00 H new ATOM 0 HG22 THR A 102 1.719 -2.763 -6.447 1.00 0.00 H new ATOM 0 HG23 THR A 102 1.159 -1.448 -5.385 1.00 0.00 H new ATOM 1594 N GLU A 103 0.435 -1.814 -9.371 1.00 0.00 N ATOM 1595 CA GLU A 103 1.024 -2.312 -10.648 1.00 0.00 C ATOM 1596 C GLU A 103 2.580 -2.383 -10.591 1.00 0.00 C ATOM 1597 O GLU A 103 3.260 -1.436 -10.182 1.00 0.00 O ATOM 1598 CB GLU A 103 0.561 -1.457 -11.854 1.00 0.00 C ATOM 1599 CG GLU A 103 0.785 -2.156 -13.223 1.00 0.00 C ATOM 1600 CD GLU A 103 0.270 -1.392 -14.424 1.00 0.00 C ATOM 1601 OE1 GLU A 103 0.960 -0.458 -14.882 1.00 0.00 O ATOM 1602 OE2 GLU A 103 -0.809 -1.752 -14.941 1.00 0.00 O ATOM 0 H GLU A 103 0.635 -0.834 -9.172 1.00 0.00 H new ATOM 0 HA GLU A 103 0.655 -3.328 -10.786 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -0.498 -1.225 -11.741 1.00 0.00 H new ATOM 0 HB3 GLU A 103 1.098 -0.508 -11.846 1.00 0.00 H new ATOM 0 HG2 GLU A 103 1.853 -2.332 -13.354 1.00 0.00 H new ATOM 0 HG3 GLU A 103 0.302 -3.133 -13.198 1.00 0.00 H new ATOM 1609 N LEU A 104 3.131 -3.503 -11.073 1.00 0.00 N ATOM 1610 CA LEU A 104 4.596 -3.722 -11.162 1.00 0.00 C ATOM 1611 C LEU A 104 5.063 -3.539 -12.643 1.00 0.00 C ATOM 1612 O LEU A 104 4.687 -4.312 -13.531 1.00 0.00 O ATOM 1613 CB LEU A 104 4.938 -5.124 -10.573 1.00 0.00 C ATOM 1614 CG LEU A 104 6.202 -5.193 -9.681 1.00 0.00 C ATOM 1615 CD1 LEU A 104 6.398 -6.634 -9.200 1.00 0.00 C ATOM 1616 CD2 LEU A 104 7.489 -4.727 -10.380 1.00 0.00 C ATOM 0 H LEU A 104 2.580 -4.290 -11.415 1.00 0.00 H new ATOM 0 HA LEU A 104 5.140 -2.985 -10.571 1.00 0.00 H new ATOM 0 HB2 LEU A 104 4.085 -5.469 -9.988 1.00 0.00 H new ATOM 0 HB3 LEU A 104 5.062 -5.824 -11.400 1.00 0.00 H new ATOM 0 HG LEU A 104 6.029 -4.507 -8.852 1.00 0.00 H new ATOM 0 HD11 LEU A 104 7.287 -6.690 -8.571 1.00 0.00 H new ATOM 0 HD12 LEU A 104 5.526 -6.947 -8.625 1.00 0.00 H new ATOM 0 HD13 LEU A 104 6.521 -7.291 -10.061 1.00 0.00 H new ATOM 0 HD21 LEU A 104 8.328 -4.806 -9.688 1.00 0.00 H new ATOM 0 HD22 LEU A 104 7.677 -5.354 -11.252 1.00 0.00 H new ATOM 0 HD23 LEU A 104 7.376 -3.690 -10.696 1.00 0.00 H new ATOM 1628 N ASN A 105 5.874 -2.506 -12.920 1.00 0.00 N ATOM 1629 CA ASN A 105 6.398 -2.235 -14.292 1.00 0.00 C ATOM 1630 C ASN A 105 7.909 -2.631 -14.352 1.00 0.00 C ATOM 1631 O ASN A 105 8.801 -1.802 -14.147 1.00 0.00 O ATOM 1632 CB ASN A 105 6.093 -0.753 -14.651 1.00 0.00 C ATOM 1633 CG ASN A 105 4.646 -0.481 -15.091 1.00 0.00 C ATOM 1634 OD1 ASN A 105 4.320 -0.545 -16.270 1.00 0.00 O ATOM 1635 ND2 ASN A 105 3.744 -0.190 -14.182 1.00 0.00 N ATOM 0 H ASN A 105 6.189 -1.836 -12.218 1.00 0.00 H new ATOM 0 HA ASN A 105 5.907 -2.842 -15.053 1.00 0.00 H new ATOM 0 HB2 ASN A 105 6.318 -0.130 -13.785 1.00 0.00 H new ATOM 0 HB3 ASN A 105 6.766 -0.442 -15.450 1.00 0.00 H new ATOM 0 HD21 ASN A 105 2.777 -0.019 -14.459 1.00 0.00 H new ATOM 0 HD22 ASN A 105 4.010 -0.135 -13.199 1.00 0.00 H new ATOM 1642 N GLY A 106 8.188 -3.924 -14.617 1.00 0.00 N ATOM 1643 CA GLY A 106 9.578 -4.465 -14.632 1.00 0.00 C ATOM 1644 C GLY A 106 10.127 -4.708 -13.211 1.00 0.00 C ATOM 1645 O GLY A 106 9.821 -5.731 -12.597 1.00 0.00 O ATOM 0 H GLY A 106 7.472 -4.620 -14.825 1.00 0.00 H new ATOM 0 HA2 GLY A 106 9.595 -5.401 -15.191 1.00 0.00 H new ATOM 0 HA3 GLY A 106 10.231 -3.768 -15.157 1.00 0.00 H new ATOM 1649 N ASP A 107 10.912 -3.747 -12.706 1.00 0.00 N ATOM 1650 CA ASP A 107 11.398 -3.748 -11.289 1.00 0.00 C ATOM 1651 C ASP A 107 11.049 -2.422 -10.501 1.00 0.00 C ATOM 1652 O ASP A 107 11.762 -2.016 -9.574 1.00 0.00 O ATOM 1653 CB ASP A 107 12.903 -4.136 -11.267 1.00 0.00 C ATOM 1654 CG ASP A 107 13.209 -5.613 -11.541 1.00 0.00 C ATOM 1655 OD1 ASP A 107 12.631 -6.495 -10.865 1.00 0.00 O ATOM 1656 OD2 ASP A 107 14.049 -5.893 -12.419 1.00 0.00 O ATOM 0 H ASP A 107 11.235 -2.947 -13.250 1.00 0.00 H new ATOM 0 HA ASP A 107 10.852 -4.508 -10.730 1.00 0.00 H new ATOM 0 HB2 ASP A 107 13.427 -3.531 -12.007 1.00 0.00 H new ATOM 0 HB3 ASP A 107 13.314 -3.873 -10.292 1.00 0.00 H new ATOM 1661 N ILE A 108 9.918 -1.763 -10.828 1.00 0.00 N ATOM 1662 CA ILE A 108 9.393 -0.571 -10.106 1.00 0.00 C ATOM 1663 C ILE A 108 7.881 -0.834 -9.819 1.00 0.00 C ATOM 1664 O ILE A 108 7.108 -1.161 -10.729 1.00 0.00 O ATOM 1665 CB ILE A 108 9.696 0.810 -10.768 1.00 0.00 C ATOM 1666 CG1 ILE A 108 8.912 1.125 -12.065 1.00 0.00 C ATOM 1667 CG2 ILE A 108 11.205 1.079 -10.975 1.00 0.00 C ATOM 1668 CD1 ILE A 108 7.620 1.920 -11.815 1.00 0.00 C ATOM 0 H ILE A 108 9.330 -2.044 -11.613 1.00 0.00 H new ATOM 0 HA ILE A 108 9.938 -0.462 -9.169 1.00 0.00 H new ATOM 0 HB ILE A 108 9.319 1.505 -10.018 1.00 0.00 H new ATOM 0 HG12 ILE A 108 9.553 1.690 -12.741 1.00 0.00 H new ATOM 0 HG13 ILE A 108 8.664 0.190 -12.568 1.00 0.00 H new ATOM 0 HG21 ILE A 108 11.340 2.056 -11.439 1.00 0.00 H new ATOM 0 HG22 ILE A 108 11.713 1.062 -10.011 1.00 0.00 H new ATOM 0 HG23 ILE A 108 11.627 0.309 -11.621 1.00 0.00 H new ATOM 0 HD11 ILE A 108 7.119 2.108 -12.765 1.00 0.00 H new ATOM 0 HD12 ILE A 108 6.960 1.347 -11.163 1.00 0.00 H new ATOM 0 HD13 ILE A 108 7.864 2.870 -11.340 1.00 0.00 H new ATOM 1680 N ILE A 109 7.452 -0.689 -8.560 1.00 0.00 N ATOM 1681 CA ILE A 109 6.041 -0.928 -8.146 1.00 0.00 C ATOM 1682 C ILE A 109 5.289 0.409 -7.860 1.00 0.00 C ATOM 1683 O ILE A 109 5.820 1.307 -7.197 1.00 0.00 O ATOM 1684 CB ILE A 109 6.018 -1.944 -6.947 1.00 0.00 C ATOM 1685 CG1 ILE A 109 4.617 -2.586 -6.757 1.00 0.00 C ATOM 1686 CG2 ILE A 109 6.528 -1.358 -5.601 1.00 0.00 C ATOM 1687 CD1 ILE A 109 4.616 -3.852 -5.885 1.00 0.00 C ATOM 0 H ILE A 109 8.061 -0.404 -7.793 1.00 0.00 H new ATOM 0 HA ILE A 109 5.487 -1.384 -8.967 1.00 0.00 H new ATOM 0 HB ILE A 109 6.729 -2.719 -7.234 1.00 0.00 H new ATOM 0 HG12 ILE A 109 3.950 -1.849 -6.309 1.00 0.00 H new ATOM 0 HG13 ILE A 109 4.207 -2.833 -7.736 1.00 0.00 H new ATOM 0 HG21 ILE A 109 6.478 -2.125 -4.828 1.00 0.00 H new ATOM 0 HG22 ILE A 109 7.560 -1.026 -5.717 1.00 0.00 H new ATOM 0 HG23 ILE A 109 5.904 -0.512 -5.313 1.00 0.00 H new ATOM 0 HD11 ILE A 109 3.599 -4.237 -5.803 1.00 0.00 H new ATOM 0 HD12 ILE A 109 5.255 -4.609 -6.341 1.00 0.00 H new ATOM 0 HD13 ILE A 109 4.993 -3.610 -4.892 1.00 0.00 H new ATOM 1699 N THR A 110 4.039 0.526 -8.339 1.00 0.00 N ATOM 1700 CA THR A 110 3.172 1.700 -8.039 1.00 0.00 C ATOM 1701 C THR A 110 1.902 1.264 -7.261 1.00 0.00 C ATOM 1702 O THR A 110 1.176 0.391 -7.732 1.00 0.00 O ATOM 1703 CB THR A 110 2.855 2.543 -9.312 1.00 0.00 C ATOM 1704 OG1 THR A 110 2.515 3.882 -8.949 1.00 0.00 O ATOM 1705 CG2 THR A 110 1.738 2.047 -10.236 1.00 0.00 C ATOM 0 H THR A 110 3.598 -0.173 -8.936 1.00 0.00 H new ATOM 0 HA THR A 110 3.730 2.370 -7.384 1.00 0.00 H new ATOM 0 HB THR A 110 3.782 2.454 -9.879 1.00 0.00 H new ATOM 0 HG1 THR A 110 2.520 3.967 -7.973 1.00 0.00 H new ATOM 0 HG21 THR A 110 1.631 2.732 -11.077 1.00 0.00 H new ATOM 0 HG22 THR A 110 1.987 1.053 -10.607 1.00 0.00 H new ATOM 0 HG23 THR A 110 0.800 2.003 -9.682 1.00 0.00 H new ATOM 1713 N ASN A 111 1.609 1.883 -6.108 1.00 0.00 N ATOM 1714 CA ASN A 111 0.369 1.586 -5.337 1.00 0.00 C ATOM 1715 C ASN A 111 -0.620 2.773 -5.514 1.00 0.00 C ATOM 1716 O ASN A 111 -0.408 3.848 -4.945 1.00 0.00 O ATOM 1717 CB ASN A 111 0.717 1.269 -3.861 1.00 0.00 C ATOM 1718 CG ASN A 111 -0.441 0.590 -3.124 1.00 0.00 C ATOM 1719 OD1 ASN A 111 -0.815 -0.536 -3.431 1.00 0.00 O ATOM 1720 ND2 ASN A 111 -1.078 1.246 -2.187 1.00 0.00 N ATOM 0 H ASN A 111 2.205 2.592 -5.681 1.00 0.00 H new ATOM 0 HA ASN A 111 -0.127 0.692 -5.716 1.00 0.00 H new ATOM 0 HB2 ASN A 111 1.595 0.623 -3.828 1.00 0.00 H new ATOM 0 HB3 ASN A 111 0.981 2.193 -3.346 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -1.878 0.819 -1.720 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -0.774 2.184 -1.924 1.00 0.00 H new ATOM 1727 N THR A 112 -1.681 2.567 -6.311 1.00 0.00 N ATOM 1728 CA THR A 112 -2.672 3.627 -6.642 1.00 0.00 C ATOM 1729 C THR A 112 -4.001 3.397 -5.852 1.00 0.00 C ATOM 1730 O THR A 112 -4.845 2.579 -6.233 1.00 0.00 O ATOM 1731 CB THR A 112 -2.864 3.660 -8.190 1.00 0.00 C ATOM 1732 OG1 THR A 112 -1.610 3.687 -8.869 1.00 0.00 O ATOM 1733 CG2 THR A 112 -3.633 4.885 -8.695 1.00 0.00 C ATOM 0 H THR A 112 -1.884 1.667 -6.747 1.00 0.00 H new ATOM 0 HA THR A 112 -2.312 4.608 -6.333 1.00 0.00 H new ATOM 0 HB THR A 112 -3.432 2.754 -8.402 1.00 0.00 H new ATOM 0 HG1 THR A 112 -1.762 3.706 -9.837 1.00 0.00 H new ATOM 0 HG21 THR A 112 -3.725 4.835 -9.780 1.00 0.00 H new ATOM 0 HG22 THR A 112 -4.627 4.901 -8.247 1.00 0.00 H new ATOM 0 HG23 THR A 112 -3.095 5.792 -8.418 1.00 0.00 H new ATOM 1741 N MET A 113 -4.181 4.133 -4.745 1.00 0.00 N ATOM 1742 CA MET A 113 -5.414 4.076 -3.913 1.00 0.00 C ATOM 1743 C MET A 113 -6.442 5.133 -4.415 1.00 0.00 C ATOM 1744 O MET A 113 -6.327 6.336 -4.155 1.00 0.00 O ATOM 1745 CB MET A 113 -5.058 4.255 -2.417 1.00 0.00 C ATOM 1746 CG MET A 113 -4.520 2.989 -1.730 1.00 0.00 C ATOM 1747 SD MET A 113 -4.502 3.230 0.056 1.00 0.00 S ATOM 1748 CE MET A 113 -4.542 1.509 0.582 1.00 0.00 C ATOM 0 H MET A 113 -3.482 4.787 -4.393 1.00 0.00 H new ATOM 0 HA MET A 113 -5.882 3.097 -4.013 1.00 0.00 H new ATOM 0 HB2 MET A 113 -4.313 5.046 -2.327 1.00 0.00 H new ATOM 0 HB3 MET A 113 -5.947 4.592 -1.884 1.00 0.00 H new ATOM 0 HG2 MET A 113 -5.143 2.132 -1.985 1.00 0.00 H new ATOM 0 HG3 MET A 113 -3.514 2.769 -2.087 1.00 0.00 H new ATOM 0 HE1 MET A 113 -4.536 1.461 1.671 1.00 0.00 H new ATOM 0 HE2 MET A 113 -5.447 1.034 0.203 1.00 0.00 H new ATOM 0 HE3 MET A 113 -3.668 0.989 0.191 1.00 0.00 H new ATOM 1758 N THR A 114 -7.456 4.645 -5.142 1.00 0.00 N ATOM 1759 CA THR A 114 -8.493 5.504 -5.778 1.00 0.00 C ATOM 1760 C THR A 114 -9.757 5.631 -4.868 1.00 0.00 C ATOM 1761 O THR A 114 -10.503 4.667 -4.655 1.00 0.00 O ATOM 1762 CB THR A 114 -8.829 5.011 -7.221 1.00 0.00 C ATOM 1763 OG1 THR A 114 -9.361 3.692 -7.228 1.00 0.00 O ATOM 1764 CG2 THR A 114 -7.654 5.014 -8.211 1.00 0.00 C ATOM 0 H THR A 114 -7.590 3.648 -5.312 1.00 0.00 H new ATOM 0 HA THR A 114 -8.087 6.510 -5.884 1.00 0.00 H new ATOM 0 HB THR A 114 -9.561 5.747 -7.553 1.00 0.00 H new ATOM 0 HG1 THR A 114 -8.709 3.074 -6.836 1.00 0.00 H new ATOM 0 HG21 THR A 114 -7.995 4.654 -9.182 1.00 0.00 H new ATOM 0 HG22 THR A 114 -7.268 6.028 -8.315 1.00 0.00 H new ATOM 0 HG23 THR A 114 -6.864 4.362 -7.840 1.00 0.00 H new ATOM 1772 N LEU A 115 -9.974 6.835 -4.316 1.00 0.00 N ATOM 1773 CA LEU A 115 -11.161 7.162 -3.476 1.00 0.00 C ATOM 1774 C LEU A 115 -12.046 8.194 -4.248 1.00 0.00 C ATOM 1775 O LEU A 115 -12.002 9.402 -3.985 1.00 0.00 O ATOM 1776 CB LEU A 115 -10.611 7.626 -2.094 1.00 0.00 C ATOM 1777 CG LEU A 115 -11.619 8.157 -1.041 1.00 0.00 C ATOM 1778 CD1 LEU A 115 -12.682 7.123 -0.630 1.00 0.00 C ATOM 1779 CD2 LEU A 115 -10.857 8.636 0.205 1.00 0.00 C ATOM 0 H LEU A 115 -9.334 7.620 -4.434 1.00 0.00 H new ATOM 0 HA LEU A 115 -11.826 6.320 -3.282 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -10.078 6.786 -1.649 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -9.876 8.410 -2.275 1.00 0.00 H new ATOM 0 HG LEU A 115 -12.154 8.983 -1.510 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -13.352 7.564 0.108 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -13.256 6.823 -1.507 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -12.192 6.249 -0.200 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -11.566 9.009 0.944 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -10.294 7.805 0.629 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -10.170 9.435 -0.074 1.00 0.00 H new ATOM 1791 N GLY A 116 -12.836 7.705 -5.229 1.00 0.00 N ATOM 1792 CA GLY A 116 -13.690 8.571 -6.093 1.00 0.00 C ATOM 1793 C GLY A 116 -12.897 9.493 -7.047 1.00 0.00 C ATOM 1794 O GLY A 116 -12.484 9.080 -8.132 1.00 0.00 O ATOM 0 H GLY A 116 -12.905 6.711 -5.448 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -14.350 7.937 -6.684 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -14.326 9.186 -5.456 1.00 0.00 H new ATOM 1798 N ASP A 117 -12.689 10.730 -6.591 1.00 0.00 N ATOM 1799 CA ASP A 117 -11.843 11.743 -7.294 1.00 0.00 C ATOM 1800 C ASP A 117 -10.344 11.763 -6.808 1.00 0.00 C ATOM 1801 O ASP A 117 -9.454 12.151 -7.570 1.00 0.00 O ATOM 1802 CB ASP A 117 -12.485 13.146 -7.112 1.00 0.00 C ATOM 1803 CG ASP A 117 -13.833 13.353 -7.804 1.00 0.00 C ATOM 1804 OD1 ASP A 117 -13.850 13.572 -9.033 1.00 0.00 O ATOM 1805 OD2 ASP A 117 -14.875 13.303 -7.116 1.00 0.00 O ATOM 0 H ASP A 117 -13.096 11.075 -5.722 1.00 0.00 H new ATOM 0 HA ASP A 117 -11.810 11.463 -8.347 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -12.613 13.331 -6.045 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -11.787 13.896 -7.485 1.00 0.00 H new ATOM 1810 N ILE A 118 -10.054 11.360 -5.553 1.00 0.00 N ATOM 1811 CA ILE A 118 -8.687 11.356 -4.968 1.00 0.00 C ATOM 1812 C ILE A 118 -7.889 10.102 -5.474 1.00 0.00 C ATOM 1813 O ILE A 118 -8.292 8.959 -5.233 1.00 0.00 O ATOM 1814 CB ILE A 118 -8.771 11.360 -3.400 1.00 0.00 C ATOM 1815 CG1 ILE A 118 -9.717 12.385 -2.697 1.00 0.00 C ATOM 1816 CG2 ILE A 118 -7.361 11.436 -2.763 1.00 0.00 C ATOM 1817 CD1 ILE A 118 -9.300 13.865 -2.706 1.00 0.00 C ATOM 0 H ILE A 118 -10.767 11.024 -4.906 1.00 0.00 H new ATOM 0 HA ILE A 118 -8.161 12.255 -5.289 1.00 0.00 H new ATOM 0 HB ILE A 118 -9.259 10.403 -3.213 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -10.699 12.310 -3.164 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -9.834 12.076 -1.658 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -7.452 11.437 -1.677 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -6.773 10.574 -3.077 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -6.864 12.351 -3.086 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -10.050 14.458 -2.183 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -8.338 13.975 -2.206 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -9.216 14.213 -3.736 1.00 0.00 H new ATOM 1829 N VAL A 119 -6.725 10.324 -6.105 1.00 0.00 N ATOM 1830 CA VAL A 119 -5.868 9.218 -6.632 1.00 0.00 C ATOM 1831 C VAL A 119 -4.522 9.215 -5.830 1.00 0.00 C ATOM 1832 O VAL A 119 -3.551 9.859 -6.236 1.00 0.00 O ATOM 1833 CB VAL A 119 -5.717 9.363 -8.192 1.00 0.00 C ATOM 1834 CG1 VAL A 119 -4.827 8.270 -8.821 1.00 0.00 C ATOM 1835 CG2 VAL A 119 -7.061 9.333 -8.966 1.00 0.00 C ATOM 0 H VAL A 119 -6.344 11.256 -6.269 1.00 0.00 H new ATOM 0 HA VAL A 119 -6.319 8.237 -6.482 1.00 0.00 H new ATOM 0 HB VAL A 119 -5.255 10.345 -8.293 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -4.764 8.427 -9.898 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -3.828 8.320 -8.388 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -5.260 7.289 -8.622 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -6.868 9.439 -10.034 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -7.567 8.385 -8.781 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -7.694 10.154 -8.628 1.00 0.00 H new ATOM 1845 N PHE A 120 -4.443 8.500 -4.686 1.00 0.00 N ATOM 1846 CA PHE A 120 -3.188 8.410 -3.879 1.00 0.00 C ATOM 1847 C PHE A 120 -2.188 7.402 -4.527 1.00 0.00 C ATOM 1848 O PHE A 120 -2.324 6.187 -4.365 1.00 0.00 O ATOM 1849 CB PHE A 120 -3.542 8.121 -2.390 1.00 0.00 C ATOM 1850 CG PHE A 120 -2.377 7.761 -1.436 1.00 0.00 C ATOM 1851 CD1 PHE A 120 -1.171 8.472 -1.471 1.00 0.00 C ATOM 1852 CD2 PHE A 120 -2.480 6.641 -0.602 1.00 0.00 C ATOM 1853 CE1 PHE A 120 -0.073 8.033 -0.742 1.00 0.00 C ATOM 1854 CE2 PHE A 120 -1.380 6.208 0.136 1.00 0.00 C ATOM 1855 CZ PHE A 120 -0.176 6.902 0.062 1.00 0.00 C ATOM 0 H PHE A 120 -5.226 7.976 -4.295 1.00 0.00 H new ATOM 0 HA PHE A 120 -2.661 9.364 -3.880 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -4.047 8.999 -1.988 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -4.261 7.302 -2.368 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -1.094 9.368 -2.069 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -3.417 6.110 -0.530 1.00 0.00 H new ATOM 0 HE1 PHE A 120 0.862 8.570 -0.799 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -1.462 5.334 0.765 1.00 0.00 H new ATOM 0 HZ PHE A 120 0.679 6.563 0.629 1.00 0.00 H new ATOM 1865 N LYS A 121 -1.170 7.930 -5.228 1.00 0.00 N ATOM 1866 CA LYS A 121 -0.203 7.088 -5.979 1.00 0.00 C ATOM 1867 C LYS A 121 1.244 7.095 -5.393 1.00 0.00 C ATOM 1868 O LYS A 121 1.958 8.100 -5.455 1.00 0.00 O ATOM 1869 CB LYS A 121 -0.258 7.541 -7.462 1.00 0.00 C ATOM 1870 CG LYS A 121 0.448 6.590 -8.452 1.00 0.00 C ATOM 1871 CD LYS A 121 0.336 7.107 -9.897 1.00 0.00 C ATOM 1872 CE LYS A 121 1.025 6.167 -10.898 1.00 0.00 C ATOM 1873 NZ LYS A 121 0.892 6.744 -12.262 1.00 0.00 N ATOM 0 H LYS A 121 -0.990 8.932 -5.295 1.00 0.00 H new ATOM 0 HA LYS A 121 -0.495 6.042 -5.888 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -1.302 7.643 -7.758 1.00 0.00 H new ATOM 0 HB3 LYS A 121 0.194 8.529 -7.543 1.00 0.00 H new ATOM 0 HG2 LYS A 121 1.499 6.491 -8.179 1.00 0.00 H new ATOM 0 HG3 LYS A 121 0.006 5.596 -8.383 1.00 0.00 H new ATOM 0 HD2 LYS A 121 -0.715 7.213 -10.164 1.00 0.00 H new ATOM 0 HD3 LYS A 121 0.784 8.099 -9.963 1.00 0.00 H new ATOM 0 HE2 LYS A 121 2.077 6.045 -10.640 1.00 0.00 H new ATOM 0 HE3 LYS A 121 0.571 5.177 -10.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 1.355 6.117 -12.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 -0.115 6.839 -12.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 1.344 7.680 -12.288 1.00 0.00 H new ATOM 1887 N ARG A 122 1.691 5.945 -4.864 1.00 0.00 N ATOM 1888 CA ARG A 122 3.123 5.730 -4.507 1.00 0.00 C ATOM 1889 C ARG A 122 3.909 5.164 -5.742 1.00 0.00 C ATOM 1890 O ARG A 122 3.348 4.477 -6.603 1.00 0.00 O ATOM 1891 CB ARG A 122 3.245 4.747 -3.309 1.00 0.00 C ATOM 1892 CG ARG A 122 3.127 5.368 -1.897 1.00 0.00 C ATOM 1893 CD ARG A 122 3.577 4.355 -0.828 1.00 0.00 C ATOM 1894 NE ARG A 122 3.708 4.970 0.517 1.00 0.00 N ATOM 1895 CZ ARG A 122 4.302 4.389 1.562 1.00 0.00 C ATOM 1896 NH1 ARG A 122 4.759 3.159 1.559 1.00 0.00 N ATOM 1897 NH2 ARG A 122 4.451 5.087 2.649 1.00 0.00 N ATOM 0 H ARG A 122 1.090 5.144 -4.670 1.00 0.00 H new ATOM 0 HA ARG A 122 3.553 6.689 -4.218 1.00 0.00 H new ATOM 0 HB2 ARG A 122 2.473 3.984 -3.413 1.00 0.00 H new ATOM 0 HB3 ARG A 122 4.207 4.239 -3.380 1.00 0.00 H new ATOM 0 HG2 ARG A 122 3.739 6.268 -1.836 1.00 0.00 H new ATOM 0 HG3 ARG A 122 2.097 5.670 -1.710 1.00 0.00 H new ATOM 0 HD2 ARG A 122 2.858 3.537 -0.782 1.00 0.00 H new ATOM 0 HD3 ARG A 122 4.534 3.923 -1.121 1.00 0.00 H new ATOM 0 HE ARG A 122 3.317 5.902 0.652 1.00 0.00 H new ATOM 0 HH11 ARG A 122 4.670 2.584 0.721 1.00 0.00 H new ATOM 0 HH12 ARG A 122 5.203 2.778 2.395 1.00 0.00 H new ATOM 0 HH21 ARG A 122 4.118 6.050 2.686 1.00 0.00 H new ATOM 0 HH22 ARG A 122 4.901 4.671 3.464 1.00 0.00 H new ATOM 1911 N ILE A 123 5.216 5.461 -5.820 1.00 0.00 N ATOM 1912 CA ILE A 123 6.128 4.926 -6.875 1.00 0.00 C ATOM 1913 C ILE A 123 7.412 4.462 -6.099 1.00 0.00 C ATOM 1914 O ILE A 123 8.199 5.297 -5.635 1.00 0.00 O ATOM 1915 CB ILE A 123 6.414 5.950 -8.038 1.00 0.00 C ATOM 1916 CG1 ILE A 123 5.159 6.459 -8.820 1.00 0.00 C ATOM 1917 CG2 ILE A 123 7.393 5.346 -9.081 1.00 0.00 C ATOM 1918 CD1 ILE A 123 4.456 7.699 -8.234 1.00 0.00 C ATOM 0 H ILE A 123 5.683 6.080 -5.157 1.00 0.00 H new ATOM 0 HA ILE A 123 5.675 4.095 -7.415 1.00 0.00 H new ATOM 0 HB ILE A 123 6.839 6.808 -7.517 1.00 0.00 H new ATOM 0 HG12 ILE A 123 5.460 6.686 -9.843 1.00 0.00 H new ATOM 0 HG13 ILE A 123 4.435 5.646 -8.874 1.00 0.00 H new ATOM 0 HG21 ILE A 123 7.574 6.072 -9.873 1.00 0.00 H new ATOM 0 HG22 ILE A 123 8.336 5.098 -8.594 1.00 0.00 H new ATOM 0 HG23 ILE A 123 6.957 4.443 -9.509 1.00 0.00 H new ATOM 0 HD11 ILE A 123 3.601 7.961 -8.857 1.00 0.00 H new ATOM 0 HD12 ILE A 123 4.114 7.479 -7.223 1.00 0.00 H new ATOM 0 HD13 ILE A 123 5.155 8.535 -8.207 1.00 0.00 H new ATOM 1930 N SER A 124 7.623 3.139 -5.976 1.00 0.00 N ATOM 1931 CA SER A 124 8.755 2.546 -5.205 1.00 0.00 C ATOM 1932 C SER A 124 9.613 1.580 -6.085 1.00 0.00 C ATOM 1933 O SER A 124 9.077 0.786 -6.863 1.00 0.00 O ATOM 1934 CB SER A 124 8.157 1.807 -3.978 1.00 0.00 C ATOM 1935 OG SER A 124 7.463 2.698 -3.098 1.00 0.00 O ATOM 0 H SER A 124 7.017 2.440 -6.406 1.00 0.00 H new ATOM 0 HA SER A 124 9.430 3.337 -4.877 1.00 0.00 H new ATOM 0 HB2 SER A 124 7.473 1.031 -4.321 1.00 0.00 H new ATOM 0 HB3 SER A 124 8.957 1.308 -3.431 1.00 0.00 H new ATOM 0 HG SER A 124 6.545 2.381 -2.969 1.00 0.00 H new ATOM 1941 N LYS A 125 10.955 1.624 -5.972 1.00 0.00 N ATOM 1942 CA LYS A 125 11.861 0.765 -6.784 1.00 0.00 C ATOM 1943 C LYS A 125 12.374 -0.493 -6.012 1.00 0.00 C ATOM 1944 O LYS A 125 12.788 -0.397 -4.854 1.00 0.00 O ATOM 1945 CB LYS A 125 13.008 1.674 -7.295 1.00 0.00 C ATOM 1946 CG LYS A 125 13.984 0.947 -8.248 1.00 0.00 C ATOM 1947 CD LYS A 125 14.776 1.895 -9.170 1.00 0.00 C ATOM 1948 CE LYS A 125 15.337 1.209 -10.433 1.00 0.00 C ATOM 1949 NZ LYS A 125 16.399 0.215 -10.105 1.00 0.00 N ATOM 0 H LYS A 125 11.443 2.245 -5.327 1.00 0.00 H new ATOM 0 HA LYS A 125 11.315 0.340 -7.626 1.00 0.00 H new ATOM 0 HB2 LYS A 125 12.579 2.533 -7.811 1.00 0.00 H new ATOM 0 HB3 LYS A 125 13.565 2.060 -6.441 1.00 0.00 H new ATOM 0 HG2 LYS A 125 14.686 0.361 -7.655 1.00 0.00 H new ATOM 0 HG3 LYS A 125 13.421 0.244 -8.862 1.00 0.00 H new ATOM 0 HD2 LYS A 125 14.128 2.718 -9.472 1.00 0.00 H new ATOM 0 HD3 LYS A 125 15.602 2.329 -8.606 1.00 0.00 H new ATOM 0 HE2 LYS A 125 14.526 0.711 -10.965 1.00 0.00 H new ATOM 0 HE3 LYS A 125 15.743 1.964 -11.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 16.748 -0.222 -10.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 17.185 0.694 -9.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 16.006 -0.521 -9.484 1.00 0.00 H new ATOM 1963 N ARG A 126 12.421 -1.654 -6.695 1.00 0.00 N ATOM 1964 CA ARG A 126 12.865 -2.944 -6.105 1.00 0.00 C ATOM 1965 C ARG A 126 14.342 -2.975 -5.604 1.00 0.00 C ATOM 1966 O ARG A 126 15.286 -2.706 -6.356 1.00 0.00 O ATOM 1967 CB ARG A 126 12.627 -4.017 -7.197 1.00 0.00 C ATOM 1968 CG ARG A 126 12.587 -5.476 -6.691 1.00 0.00 C ATOM 1969 CD ARG A 126 12.401 -6.431 -7.878 1.00 0.00 C ATOM 1970 NE ARG A 126 12.005 -7.796 -7.455 1.00 0.00 N ATOM 1971 CZ ARG A 126 11.594 -8.750 -8.291 1.00 0.00 C ATOM 1972 NH1 ARG A 126 11.599 -8.641 -9.602 1.00 0.00 N ATOM 1973 NH2 ARG A 126 11.161 -9.857 -7.770 1.00 0.00 N ATOM 0 H ARG A 126 12.152 -1.729 -7.676 1.00 0.00 H new ATOM 0 HA ARG A 126 12.290 -3.125 -5.197 1.00 0.00 H new ATOM 0 HB2 ARG A 126 11.685 -3.798 -7.699 1.00 0.00 H new ATOM 0 HB3 ARG A 126 13.415 -3.931 -7.946 1.00 0.00 H new ATOM 0 HG2 ARG A 126 13.510 -5.713 -6.162 1.00 0.00 H new ATOM 0 HG3 ARG A 126 11.771 -5.602 -5.979 1.00 0.00 H new ATOM 0 HD2 ARG A 126 11.642 -6.028 -8.548 1.00 0.00 H new ATOM 0 HD3 ARG A 126 13.330 -6.486 -8.445 1.00 0.00 H new ATOM 0 HE ARG A 126 12.050 -8.019 -6.461 1.00 0.00 H new ATOM 0 HH11 ARG A 126 11.933 -7.783 -10.041 1.00 0.00 H new ATOM 0 HH12 ARG A 126 11.269 -9.414 -10.179 1.00 0.00 H new ATOM 0 HH21 ARG A 126 11.144 -9.971 -6.757 1.00 0.00 H new ATOM 0 HH22 ARG A 126 10.837 -10.613 -8.374 1.00 0.00 H new ATOM 1987 N ILE A 127 14.496 -3.300 -4.317 1.00 0.00 N ATOM 1988 CA ILE A 127 15.805 -3.408 -3.621 1.00 0.00 C ATOM 1989 C ILE A 127 15.822 -4.759 -2.811 1.00 0.00 C ATOM 1990 O ILE A 127 16.927 -5.158 -2.379 1.00 0.00 O ATOM 1991 CB ILE A 127 16.063 -2.049 -2.847 1.00 0.00 C ATOM 1992 CG1 ILE A 127 16.557 -0.929 -3.815 1.00 0.00 C ATOM 1993 CG2 ILE A 127 16.991 -2.166 -1.617 1.00 0.00 C ATOM 1994 CD1 ILE A 127 16.692 0.489 -3.237 1.00 0.00 C ATOM 1995 OXT ILE A 127 14.780 -5.444 -2.626 1.00 0.00 O ATOM 0 H ILE A 127 13.704 -3.502 -3.707 1.00 0.00 H new ATOM 0 HA ILE A 127 16.672 -3.497 -4.276 1.00 0.00 H new ATOM 0 HB ILE A 127 15.089 -1.771 -2.444 1.00 0.00 H new ATOM 0 HG12 ILE A 127 17.529 -1.227 -4.209 1.00 0.00 H new ATOM 0 HG13 ILE A 127 15.870 -0.885 -4.660 1.00 0.00 H new ATOM 0 HG21 ILE A 127 17.107 -1.186 -1.154 1.00 0.00 H new ATOM 0 HG22 ILE A 127 16.555 -2.858 -0.897 1.00 0.00 H new ATOM 0 HG23 ILE A 127 17.967 -2.537 -1.931 1.00 0.00 H new ATOM 0 HD11 ILE A 127 17.043 1.167 -4.015 1.00 0.00 H new ATOM 0 HD12 ILE A 127 15.722 0.827 -2.872 1.00 0.00 H new ATOM 0 HD13 ILE A 127 17.406 0.480 -2.414 1.00 0.00 H new TER 2007 ILE A 127 HETATM 2008 C1 OLA A 128 5.929 10.140 14.488 1.00 0.00 C HETATM 2009 O1 OLA A 128 5.806 11.128 15.246 1.00 0.00 O HETATM 2010 O2 OLA A 128 6.981 9.916 13.849 1.00 0.00 O HETATM 2011 C2 OLA A 128 4.704 9.275 14.223 1.00 0.00 C HETATM 2012 C3 OLA A 128 3.924 9.586 12.926 1.00 0.00 C HETATM 2013 C4 OLA A 128 4.558 9.022 11.641 1.00 0.00 C HETATM 2014 C5 OLA A 128 3.775 9.355 10.358 1.00 0.00 C HETATM 2015 C6 OLA A 128 2.444 8.590 10.217 1.00 0.00 C HETATM 2016 C7 OLA A 128 1.725 8.894 8.892 1.00 0.00 C HETATM 2017 C8 OLA A 128 0.378 8.153 8.797 1.00 0.00 C HETATM 2018 C9 OLA A 128 -0.355 8.493 7.517 1.00 0.00 C HETATM 2019 C10 OLA A 128 -0.369 7.793 6.377 1.00 0.00 C HETATM 2020 C11 OLA A 128 0.343 6.483 6.095 1.00 0.00 C HETATM 2021 C12 OLA A 128 -0.028 5.900 4.719 1.00 0.00 C HETATM 2022 C13 OLA A 128 0.633 4.546 4.403 1.00 0.00 C HETATM 2023 C14 OLA A 128 0.341 4.135 2.948 1.00 0.00 C HETATM 2024 C15 OLA A 128 0.941 2.779 2.547 1.00 0.00 C HETATM 2025 C16 OLA A 128 0.652 2.455 1.067 1.00 0.00 C HETATM 2026 C17 OLA A 128 1.374 1.198 0.551 1.00 0.00 C HETATM 2027 C18 OLA A 128 0.697 -0.118 0.955 1.00 0.00 C HETATM 0 H183 OLA A 128 0.662 -0.190 2.042 1.00 0.00 H new HETATM 0 H182 OLA A 128 -0.317 -0.143 0.557 1.00 0.00 H new HETATM 0 H181 OLA A 128 1.265 -0.957 0.554 1.00 0.00 H new HETATM 0 H172 OLA A 128 1.433 1.246 -0.536 1.00 0.00 H new HETATM 0 H171 OLA A 128 2.397 1.199 0.926 1.00 0.00 H new HETATM 0 H162 OLA A 128 -0.422 2.324 0.937 1.00 0.00 H new HETATM 0 H161 OLA A 128 0.945 3.308 0.455 1.00 0.00 H new HETATM 0 H152 OLA A 128 2.018 2.791 2.715 1.00 0.00 H new HETATM 0 H151 OLA A 128 0.528 1.994 3.181 1.00 0.00 H new HETATM 0 H142 OLA A 128 -0.739 4.100 2.801 1.00 0.00 H new HETATM 0 H141 OLA A 128 0.729 4.904 2.280 1.00 0.00 H new HETATM 0 H132 OLA A 128 1.710 4.614 4.560 1.00 0.00 H new HETATM 0 H131 OLA A 128 0.259 3.783 5.086 1.00 0.00 H new HETATM 0 H122 OLA A 128 -1.110 5.783 4.667 1.00 0.00 H new HETATM 0 H121 OLA A 128 0.252 6.616 3.947 1.00 0.00 H new HETATM 0 H112 OLA A 128 1.421 6.640 6.142 1.00 0.00 H new HETATM 0 H111 OLA A 128 0.092 5.761 6.872 1.00 0.00 H new HETATM 0 HO2 OLA A 128 7.748 10.264 14.350 1.00 0.00 H new HETATM 0 H9 OLA A 128 -0.938 9.414 7.525 1.00 0.00 H new HETATM 0 H82 OLA A 128 0.549 7.078 8.844 1.00 0.00 H new HETATM 0 H81 OLA A 128 -0.243 8.415 9.653 1.00 0.00 H new HETATM 0 H72 OLA A 128 1.558 9.968 8.806 1.00 0.00 H new HETATM 0 H71 OLA A 128 2.361 8.603 8.056 1.00 0.00 H new HETATM 0 H62 OLA A 128 2.636 7.519 10.285 1.00 0.00 H new HETATM 0 H61 OLA A 128 1.790 8.850 11.049 1.00 0.00 H new HETATM 0 H52 OLA A 128 3.570 10.425 10.337 1.00 0.00 H new HETATM 0 H51 OLA A 128 4.402 9.134 9.494 1.00 0.00 H new HETATM 0 H42 OLA A 128 5.572 9.411 11.547 1.00 0.00 H new HETATM 0 H41 OLA A 128 4.640 7.939 11.734 1.00 0.00 H new HETATM 0 H32 OLA A 128 2.914 9.187 13.021 1.00 0.00 H new HETATM 0 H31 OLA A 128 3.832 10.667 12.825 1.00 0.00 H new HETATM 0 H22 OLA A 128 5.020 8.232 14.193 1.00 0.00 H new HETATM 0 H21 OLA A 128 4.022 9.377 15.067 1.00 0.00 H new HETATM 0 H10 OLA A 128 -0.957 8.210 5.560 1.00 0.00 H new HETATM 2061 C1 OLA A 129 4.741 1.232 -1.878 1.00 0.00 C HETATM 2062 O1 OLA A 129 4.839 1.488 -0.653 1.00 0.00 O HETATM 2063 O2 OLA A 129 5.232 1.997 -2.732 1.00 0.00 O HETATM 2064 C2 OLA A 129 4.497 -0.207 -2.314 1.00 0.00 C HETATM 2065 C3 OLA A 129 3.365 -0.944 -1.568 1.00 0.00 C HETATM 2066 C4 OLA A 129 3.337 -2.452 -1.875 1.00 0.00 C HETATM 2067 C5 OLA A 129 2.235 -3.240 -1.132 1.00 0.00 C HETATM 2068 C6 OLA A 129 0.824 -3.042 -1.715 1.00 0.00 C HETATM 2069 C7 OLA A 129 -0.286 -3.696 -0.874 1.00 0.00 C HETATM 2070 C8 OLA A 129 -1.666 -3.506 -1.533 1.00 0.00 C HETATM 2071 C9 OLA A 129 -2.804 -4.020 -0.677 1.00 0.00 C HETATM 2072 C10 OLA A 129 -3.429 -3.367 0.312 1.00 0.00 C HETATM 2073 C11 OLA A 129 -3.142 -1.977 0.851 1.00 0.00 C HETATM 2074 C12 OLA A 129 -2.487 -2.023 2.247 1.00 0.00 C HETATM 2075 C13 OLA A 129 -2.417 -0.641 2.925 1.00 0.00 C HETATM 2076 C14 OLA A 129 -1.925 -0.717 4.385 1.00 0.00 C HETATM 2077 C15 OLA A 129 -1.784 0.634 5.127 1.00 0.00 C HETATM 2078 C16 OLA A 129 -3.051 1.522 5.185 1.00 0.00 C HETATM 2079 C17 OLA A 129 -3.087 2.627 4.111 1.00 0.00 C HETATM 2080 C18 OLA A 129 -4.450 3.325 4.009 1.00 0.00 C HETATM 0 H183 OLA A 129 -5.216 2.592 3.754 1.00 0.00 H new HETATM 0 H182 OLA A 129 -4.695 3.787 4.965 1.00 0.00 H new HETATM 0 H181 OLA A 129 -4.409 4.092 3.235 1.00 0.00 H new HETATM 0 H172 OLA A 129 -2.322 3.369 4.337 1.00 0.00 H new HETATM 0 H171 OLA A 129 -2.835 2.193 3.143 1.00 0.00 H new HETATM 0 H162 OLA A 129 -3.932 0.890 5.072 1.00 0.00 H new HETATM 0 H161 OLA A 129 -3.115 1.984 6.170 1.00 0.00 H new HETATM 0 H152 OLA A 129 -1.462 0.431 6.148 1.00 0.00 H new HETATM 0 H151 OLA A 129 -0.988 1.205 4.649 1.00 0.00 H new HETATM 0 H142 OLA A 129 -2.615 -1.347 4.947 1.00 0.00 H new HETATM 0 H141 OLA A 129 -0.956 -1.217 4.395 1.00 0.00 H new HETATM 0 H132 OLA A 129 -1.750 0.005 2.355 1.00 0.00 H new HETATM 0 H131 OLA A 129 -3.404 -0.180 2.902 1.00 0.00 H new HETATM 0 H122 OLA A 129 -3.049 -2.706 2.884 1.00 0.00 H new HETATM 0 H121 OLA A 129 -1.479 -2.429 2.156 1.00 0.00 H new HETATM 0 H112 OLA A 129 -2.486 -1.448 0.160 1.00 0.00 H new HETATM 0 H111 OLA A 129 -4.071 -1.410 0.905 1.00 0.00 H new HETATM 0 HO2 OLA A 129 4.928 1.730 -3.624 1.00 0.00 H new HETATM 0 H9 OLA A 129 -3.153 -5.031 -0.888 1.00 0.00 H new HETATM 0 H82 OLA A 129 -1.822 -2.447 -1.738 1.00 0.00 H new HETATM 0 H81 OLA A 129 -1.679 -4.022 -2.493 1.00 0.00 H new HETATM 0 H72 OLA A 129 -0.079 -4.760 -0.757 1.00 0.00 H new HETATM 0 H71 OLA A 129 -0.294 -3.261 0.125 1.00 0.00 H new HETATM 0 H62 OLA A 129 0.622 -1.974 -1.801 1.00 0.00 H new HETATM 0 H61 OLA A 129 0.795 -3.454 -2.724 1.00 0.00 H new HETATM 0 H52 OLA A 129 2.482 -4.301 -1.157 1.00 0.00 H new HETATM 0 H51 OLA A 129 2.230 -2.938 -0.085 1.00 0.00 H new HETATM 0 H42 OLA A 129 3.202 -2.588 -2.948 1.00 0.00 H new HETATM 0 H41 OLA A 129 4.306 -2.880 -1.619 1.00 0.00 H new HETATM 0 H32 OLA A 129 3.487 -0.798 -0.495 1.00 0.00 H new HETATM 0 H31 OLA A 129 2.407 -0.503 -1.843 1.00 0.00 H new HETATM 0 H22 OLA A 129 4.269 -0.212 -3.380 1.00 0.00 H new HETATM 0 H21 OLA A 129 5.421 -0.770 -2.183 1.00 0.00 H new HETATM 0 H10 OLA A 129 -4.249 -3.902 0.791 1.00 0.00 H new