USER MOD reduce.3.24.130724 H: found=0, std=0, add=1085, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1084 hydrogens (66 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 124 SER OG : rot 124:sc= 0.511! USER MOD Set 1.2: A 129 OLA O2 : rot -170:sc= 1.15 USER MOD Set 2.1: A 102 THR OG1 : rot -59:sc= 1.2 USER MOD Set 2.2: A 111 ASN : amide:sc= 0.977 K(o=2.2,f=-2.5!) USER MOD Set 3.1: A 100 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 113 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 94 THR OG1 : rot -106:sc= 0.997 USER MOD Set 4.2: A 99 LYS NZ :NH3+ -173:sc= 1.86 (180deg=0.553) 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= 2.21 USER MOD Set 6.1: A 47 HIS : no HD1:sc= 0 X(o=0,f=-0.31) USER MOD Set 6.2: A 64 THR OG1 : rot 180:sc= 0 USER MOD Set 7.1: A 56 SER OG : rot 171:sc= 0.772 USER MOD Set 7.2: A 128 OLA O2 : rot 30:sc= 1.06 USER MOD Set 8.1: A 10 GLN : amide:sc= 0.98 K(o=2.1,f=-4) USER MOD Set 8.2: A 36 LYS NZ :NH3+ 179:sc= 1.15 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.709 USER MOD Single : A 4 SER OG : rot 180:sc= 0.0812 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= -0.0212 USER MOD Single : A 8 GLN : amide:sc= 0.864 K(o=0.86,f=-0.17) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 1.42 K(o=1.4,f=-4.8!) USER MOD Single : A 14 ASN : amide:sc= 0.457 X(o=0.46,f=0) USER MOD Single : A 19 MET CE :methyl 142:sc= -0.0331 (180deg=-0.978) USER MOD Single : A 20 LYS NZ :NH3+ -164:sc= 2.07 (180deg=1.34) USER MOD Single : A 30 GLN : amide:sc= 1.01 K(o=1,f=-0.62) USER MOD Single : A 31 LYS NZ :NH3+ 167:sc= 2.37 (180deg=2.09) USER MOD Single : A 33 LYS NZ :NH3+ 147:sc= 1.23 (180deg=-0.408!) 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+ -140:sc= 1.3 (180deg=0.884) 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= 1.19 (180deg=1.13) USER MOD Single : A 60 GLN : amide:sc= 0.144 K(o=0.14,f=-1.3!) USER MOD Single : A 61 ASN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 69 CYS SG : rot 43:sc= 0.775 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= 1.31 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=-0.00637!) USER MOD Single : A 84 GLN : amide:sc= -0.491 X(o=-0.49,f=-0.0031) USER MOD Single : A 89 ASN : amide:sc= 0.468 X(o=0.47,f=0) USER MOD Single : A 90 LYS NZ :NH3+ -161:sc= 1.19 (180deg=0.954) USER MOD Single : A 96 LYS NZ :NH3+ 156:sc= 1.15 (180deg=0.313) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 ASN : amide:sc= 0.768 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=-0.00373 USER MOD Single : A 114 THR OG1 : rot -60:sc= 0.833 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 6.690 -10.488 -10.883 1.00 0.00 N ATOM 2 CA SER A 2 7.532 -11.016 -9.783 1.00 0.00 C ATOM 3 C SER A 2 7.550 -10.016 -8.592 1.00 0.00 C ATOM 4 O SER A 2 8.286 -9.025 -8.587 1.00 0.00 O ATOM 5 CB SER A 2 8.935 -11.310 -10.352 1.00 0.00 C ATOM 6 OG SER A 2 9.791 -11.876 -9.358 1.00 0.00 O ATOM 0 HA SER A 2 7.126 -11.946 -9.386 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.851 -11.995 -11.196 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.376 -10.389 -10.732 1.00 0.00 H new ATOM 0 HG SER A 2 10.673 -12.053 -9.748 1.00 0.00 H new ATOM 13 N PHE A 3 6.756 -10.314 -7.559 1.00 0.00 N ATOM 14 CA PHE A 3 6.584 -9.427 -6.367 1.00 0.00 C ATOM 15 C PHE A 3 7.572 -9.604 -5.166 1.00 0.00 C ATOM 16 O PHE A 3 7.459 -8.842 -4.206 1.00 0.00 O ATOM 17 CB PHE A 3 5.099 -9.539 -5.908 1.00 0.00 C ATOM 18 CG PHE A 3 4.089 -8.792 -6.791 1.00 0.00 C ATOM 19 CD1 PHE A 3 3.782 -7.453 -6.530 1.00 0.00 C ATOM 20 CD2 PHE A 3 3.446 -9.452 -7.845 1.00 0.00 C ATOM 21 CE1 PHE A 3 2.845 -6.783 -7.313 1.00 0.00 C ATOM 22 CE2 PHE A 3 2.493 -8.786 -8.607 1.00 0.00 C ATOM 23 CZ PHE A 3 2.193 -7.454 -8.340 1.00 0.00 C ATOM 0 H PHE A 3 6.208 -11.173 -7.510 1.00 0.00 H new ATOM 0 HA PHE A 3 6.850 -8.426 -6.708 1.00 0.00 H new ATOM 0 HB2 PHE A 3 4.822 -10.593 -5.877 1.00 0.00 H new ATOM 0 HB3 PHE A 3 5.020 -9.159 -4.890 1.00 0.00 H new ATOM 0 HD1 PHE A 3 4.273 -6.937 -5.719 1.00 0.00 H new ATOM 0 HD2 PHE A 3 3.691 -10.480 -8.066 1.00 0.00 H new ATOM 0 HE1 PHE A 3 2.626 -5.743 -7.122 1.00 0.00 H new ATOM 0 HE2 PHE A 3 1.985 -9.303 -9.407 1.00 0.00 H new ATOM 0 HZ PHE A 3 1.451 -6.940 -8.933 1.00 0.00 H new ATOM 33 N SER A 4 8.541 -10.538 -5.180 1.00 0.00 N ATOM 34 CA SER A 4 9.500 -10.713 -4.051 1.00 0.00 C ATOM 35 C SER A 4 10.607 -9.604 -4.024 1.00 0.00 C ATOM 36 O SER A 4 11.388 -9.471 -4.976 1.00 0.00 O ATOM 37 CB SER A 4 10.088 -12.142 -4.100 1.00 0.00 C ATOM 38 OG SER A 4 9.082 -13.113 -3.794 1.00 0.00 O ATOM 0 H SER A 4 8.688 -11.186 -5.954 1.00 0.00 H new ATOM 0 HA SER A 4 8.960 -10.592 -3.112 1.00 0.00 H new ATOM 0 HB2 SER A 4 10.500 -12.337 -5.090 1.00 0.00 H new ATOM 0 HB3 SER A 4 10.911 -12.227 -3.390 1.00 0.00 H new ATOM 0 HG SER A 4 9.472 -14.011 -3.832 1.00 0.00 H new ATOM 44 N GLY A 5 10.664 -8.809 -2.940 1.00 0.00 N ATOM 45 CA GLY A 5 11.659 -7.715 -2.794 1.00 0.00 C ATOM 46 C GLY A 5 11.352 -6.699 -1.668 1.00 0.00 C ATOM 47 O GLY A 5 10.259 -6.651 -1.096 1.00 0.00 O ATOM 0 H GLY A 5 10.032 -8.900 -2.145 1.00 0.00 H new ATOM 0 HA2 GLY A 5 12.638 -8.157 -2.607 1.00 0.00 H new ATOM 0 HA3 GLY A 5 11.727 -7.177 -3.740 1.00 0.00 H new ATOM 51 N LYS A 6 12.356 -5.866 -1.374 1.00 0.00 N ATOM 52 CA LYS A 6 12.266 -4.754 -0.382 1.00 0.00 C ATOM 53 C LYS A 6 12.240 -3.420 -1.193 1.00 0.00 C ATOM 54 O LYS A 6 13.268 -2.786 -1.428 1.00 0.00 O ATOM 55 CB LYS A 6 13.489 -4.840 0.568 1.00 0.00 C ATOM 56 CG LYS A 6 13.501 -6.024 1.566 1.00 0.00 C ATOM 57 CD LYS A 6 14.821 -6.081 2.367 1.00 0.00 C ATOM 58 CE LYS A 6 14.969 -7.299 3.302 1.00 0.00 C ATOM 59 NZ LYS A 6 14.091 -7.192 4.501 1.00 0.00 N ATOM 0 H LYS A 6 13.272 -5.934 -1.817 1.00 0.00 H new ATOM 0 HA LYS A 6 11.369 -4.812 0.234 1.00 0.00 H new ATOM 0 HB2 LYS A 6 14.392 -4.896 -0.041 1.00 0.00 H new ATOM 0 HB3 LYS A 6 13.546 -3.912 1.137 1.00 0.00 H new ATOM 0 HG2 LYS A 6 12.661 -5.929 2.254 1.00 0.00 H new ATOM 0 HG3 LYS A 6 13.364 -6.959 1.023 1.00 0.00 H new ATOM 0 HD2 LYS A 6 15.654 -6.079 1.664 1.00 0.00 H new ATOM 0 HD3 LYS A 6 14.905 -5.173 2.964 1.00 0.00 H new ATOM 0 HE2 LYS A 6 14.725 -8.209 2.754 1.00 0.00 H new ATOM 0 HE3 LYS A 6 16.008 -7.388 3.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 14.221 -8.030 5.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 14.341 -6.338 5.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 13.097 -7.133 4.200 1.00 0.00 H new ATOM 73 N TYR A 7 11.054 -2.977 -1.621 1.00 0.00 N ATOM 74 CA TYR A 7 10.905 -1.849 -2.584 1.00 0.00 C ATOM 75 C TYR A 7 10.988 -0.455 -1.886 1.00 0.00 C ATOM 76 O TYR A 7 10.057 -0.067 -1.177 1.00 0.00 O ATOM 77 CB TYR A 7 9.558 -2.009 -3.367 1.00 0.00 C ATOM 78 CG TYR A 7 9.309 -3.293 -4.199 1.00 0.00 C ATOM 79 CD1 TYR A 7 8.956 -4.491 -3.564 1.00 0.00 C ATOM 80 CD2 TYR A 7 9.375 -3.264 -5.597 1.00 0.00 C ATOM 81 CE1 TYR A 7 8.747 -5.650 -4.305 1.00 0.00 C ATOM 82 CE2 TYR A 7 9.140 -4.421 -6.341 1.00 0.00 C ATOM 83 CZ TYR A 7 8.851 -5.618 -5.691 1.00 0.00 C ATOM 84 OH TYR A 7 8.727 -6.782 -6.398 1.00 0.00 O ATOM 0 H TYR A 7 10.166 -3.379 -1.320 1.00 0.00 H new ATOM 0 HA TYR A 7 11.739 -1.889 -3.284 1.00 0.00 H new ATOM 0 HB2 TYR A 7 8.747 -1.926 -2.643 1.00 0.00 H new ATOM 0 HB3 TYR A 7 9.470 -1.159 -4.043 1.00 0.00 H new ATOM 0 HD1 TYR A 7 8.845 -4.515 -2.490 1.00 0.00 H new ATOM 0 HD2 TYR A 7 9.610 -2.339 -6.103 1.00 0.00 H new ATOM 0 HE1 TYR A 7 8.504 -6.575 -3.803 1.00 0.00 H new ATOM 0 HE2 TYR A 7 9.182 -4.388 -7.420 1.00 0.00 H new ATOM 0 HH TYR A 7 9.476 -6.866 -7.024 1.00 0.00 H new ATOM 94 N GLN A 8 12.079 0.315 -2.073 1.00 0.00 N ATOM 95 CA GLN A 8 12.206 1.662 -1.443 1.00 0.00 C ATOM 96 C GLN A 8 11.415 2.782 -2.200 1.00 0.00 C ATOM 97 O GLN A 8 11.484 2.909 -3.428 1.00 0.00 O ATOM 98 CB GLN A 8 13.695 2.029 -1.234 1.00 0.00 C ATOM 99 CG GLN A 8 13.894 3.182 -0.213 1.00 0.00 C ATOM 100 CD GLN A 8 15.330 3.640 0.030 1.00 0.00 C ATOM 101 OE1 GLN A 8 16.306 3.197 -0.567 1.00 0.00 O ATOM 102 NE2 GLN A 8 15.492 4.579 0.927 1.00 0.00 N ATOM 0 H GLN A 8 12.878 0.041 -2.645 1.00 0.00 H new ATOM 0 HA GLN A 8 11.733 1.599 -0.463 1.00 0.00 H new ATOM 0 HB2 GLN A 8 14.237 1.148 -0.890 1.00 0.00 H new ATOM 0 HB3 GLN A 8 14.131 2.318 -2.190 1.00 0.00 H new ATOM 0 HG2 GLN A 8 13.315 4.041 -0.552 1.00 0.00 H new ATOM 0 HG3 GLN A 8 13.470 2.869 0.741 1.00 0.00 H new ATOM 0 HE21 GLN A 8 14.685 4.952 1.427 1.00 0.00 H new ATOM 0 HE22 GLN A 8 16.426 4.938 1.126 1.00 0.00 H new ATOM 111 N LEU A 9 10.708 3.623 -1.427 1.00 0.00 N ATOM 112 CA LEU A 9 9.865 4.726 -1.955 1.00 0.00 C ATOM 113 C LEU A 9 10.676 5.889 -2.604 1.00 0.00 C ATOM 114 O LEU A 9 11.653 6.392 -2.046 1.00 0.00 O ATOM 115 CB LEU A 9 8.940 5.191 -0.794 1.00 0.00 C ATOM 116 CG LEU A 9 7.922 6.326 -1.095 1.00 0.00 C ATOM 117 CD1 LEU A 9 6.899 5.949 -2.180 1.00 0.00 C ATOM 118 CD2 LEU A 9 7.181 6.712 0.193 1.00 0.00 C ATOM 0 H LEU A 9 10.701 3.562 -0.409 1.00 0.00 H new ATOM 0 HA LEU A 9 9.266 4.359 -2.788 1.00 0.00 H new ATOM 0 HB2 LEU A 9 8.382 4.324 -0.442 1.00 0.00 H new ATOM 0 HB3 LEU A 9 9.574 5.518 0.030 1.00 0.00 H new ATOM 0 HG LEU A 9 8.496 7.170 -1.477 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.217 6.784 -2.343 1.00 0.00 H new ATOM 0 HD12 LEU A 9 7.421 5.720 -3.109 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.332 5.075 -1.858 1.00 0.00 H new ATOM 0 HD21 LEU A 9 6.468 7.508 -0.022 1.00 0.00 H new ATOM 0 HD22 LEU A 9 6.649 5.843 0.581 1.00 0.00 H new ATOM 0 HD23 LEU A 9 7.899 7.059 0.936 1.00 0.00 H new ATOM 130 N GLN A 10 10.225 6.311 -3.792 1.00 0.00 N ATOM 131 CA GLN A 10 10.851 7.411 -4.572 1.00 0.00 C ATOM 132 C GLN A 10 9.902 8.643 -4.656 1.00 0.00 C ATOM 133 O GLN A 10 10.254 9.716 -4.161 1.00 0.00 O ATOM 134 CB GLN A 10 11.262 6.861 -5.965 1.00 0.00 C ATOM 135 CG GLN A 10 12.339 5.752 -5.952 1.00 0.00 C ATOM 136 CD GLN A 10 13.790 6.210 -5.724 1.00 0.00 C ATOM 137 OE1 GLN A 10 14.094 7.303 -5.243 1.00 0.00 O ATOM 138 NE2 GLN A 10 14.736 5.363 -6.048 1.00 0.00 N ATOM 0 H GLN A 10 9.411 5.903 -4.251 1.00 0.00 H new ATOM 0 HA GLN A 10 11.751 7.767 -4.071 1.00 0.00 H new ATOM 0 HB2 GLN A 10 10.372 6.473 -6.460 1.00 0.00 H new ATOM 0 HB3 GLN A 10 11.627 7.691 -6.570 1.00 0.00 H new ATOM 0 HG2 GLN A 10 12.081 5.034 -5.173 1.00 0.00 H new ATOM 0 HG3 GLN A 10 12.294 5.221 -6.903 1.00 0.00 H new ATOM 0 HE21 GLN A 10 14.494 4.456 -6.447 1.00 0.00 H new ATOM 0 HE22 GLN A 10 15.715 5.611 -5.901 1.00 0.00 H new ATOM 147 N SER A 11 8.725 8.495 -5.291 1.00 0.00 N ATOM 148 CA SER A 11 7.711 9.581 -5.403 1.00 0.00 C ATOM 149 C SER A 11 6.363 9.178 -4.718 1.00 0.00 C ATOM 150 O SER A 11 5.893 8.040 -4.828 1.00 0.00 O ATOM 151 CB SER A 11 7.555 9.927 -6.901 1.00 0.00 C ATOM 152 OG SER A 11 6.641 11.006 -7.099 1.00 0.00 O ATOM 0 H SER A 11 8.442 7.625 -5.743 1.00 0.00 H new ATOM 0 HA SER A 11 8.041 10.472 -4.869 1.00 0.00 H new ATOM 0 HB2 SER A 11 8.527 10.192 -7.317 1.00 0.00 H new ATOM 0 HB3 SER A 11 7.205 9.049 -7.443 1.00 0.00 H new ATOM 0 HG SER A 11 6.567 11.200 -8.057 1.00 0.00 H new ATOM 158 N GLN A 12 5.749 10.129 -3.994 1.00 0.00 N ATOM 159 CA GLN A 12 4.447 9.928 -3.297 1.00 0.00 C ATOM 160 C GLN A 12 3.499 11.090 -3.735 1.00 0.00 C ATOM 161 O GLN A 12 3.756 12.257 -3.422 1.00 0.00 O ATOM 162 CB GLN A 12 4.743 9.852 -1.773 1.00 0.00 C ATOM 163 CG GLN A 12 3.589 9.289 -0.908 1.00 0.00 C ATOM 164 CD GLN A 12 3.930 8.791 0.508 1.00 0.00 C ATOM 165 OE1 GLN A 12 3.512 7.713 0.926 1.00 0.00 O ATOM 166 NE2 GLN A 12 4.641 9.542 1.313 1.00 0.00 N ATOM 0 H GLN A 12 6.135 11.065 -3.869 1.00 0.00 H new ATOM 0 HA GLN A 12 3.936 9.001 -3.557 1.00 0.00 H new ATOM 0 HB2 GLN A 12 5.627 9.232 -1.621 1.00 0.00 H new ATOM 0 HB3 GLN A 12 4.990 10.852 -1.416 1.00 0.00 H new ATOM 0 HG2 GLN A 12 2.830 10.066 -0.816 1.00 0.00 H new ATOM 0 HG3 GLN A 12 3.134 8.462 -1.453 1.00 0.00 H new ATOM 0 HE21 GLN A 12 4.999 10.441 0.989 1.00 0.00 H new ATOM 0 HE22 GLN A 12 4.837 9.228 2.264 1.00 0.00 H new ATOM 175 N GLU A 13 2.418 10.770 -4.469 1.00 0.00 N ATOM 176 CA GLU A 13 1.535 11.785 -5.109 1.00 0.00 C ATOM 177 C GLU A 13 0.476 12.412 -4.135 1.00 0.00 C ATOM 178 O GLU A 13 0.829 13.276 -3.326 1.00 0.00 O ATOM 179 CB GLU A 13 1.011 11.073 -6.393 1.00 0.00 C ATOM 180 CG GLU A 13 0.270 11.947 -7.434 1.00 0.00 C ATOM 181 CD GLU A 13 -0.431 11.112 -8.497 1.00 0.00 C ATOM 182 OE1 GLU A 13 0.234 10.660 -9.454 1.00 0.00 O ATOM 183 OE2 GLU A 13 -1.648 10.877 -8.355 1.00 0.00 O ATOM 0 H GLU A 13 2.126 9.808 -4.640 1.00 0.00 H new ATOM 0 HA GLU A 13 2.054 12.701 -5.390 1.00 0.00 H new ATOM 0 HB2 GLU A 13 1.860 10.603 -6.889 1.00 0.00 H new ATOM 0 HB3 GLU A 13 0.339 10.272 -6.085 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -0.463 12.572 -6.924 1.00 0.00 H new ATOM 0 HG3 GLU A 13 0.982 12.618 -7.914 1.00 0.00 H new ATOM 190 N ASN A 14 -0.803 11.990 -4.169 1.00 0.00 N ATOM 191 CA ASN A 14 -1.884 12.605 -3.342 1.00 0.00 C ATOM 192 C ASN A 14 -1.945 12.098 -1.861 1.00 0.00 C ATOM 193 O ASN A 14 -2.946 11.538 -1.409 1.00 0.00 O ATOM 194 CB ASN A 14 -3.229 12.430 -4.103 1.00 0.00 C ATOM 195 CG ASN A 14 -3.454 13.347 -5.308 1.00 0.00 C ATOM 196 OD1 ASN A 14 -3.651 14.548 -5.164 1.00 0.00 O ATOM 197 ND2 ASN A 14 -3.461 12.832 -6.514 1.00 0.00 N ATOM 0 H ASN A 14 -1.123 11.223 -4.760 1.00 0.00 H new ATOM 0 HA ASN A 14 -1.659 13.665 -3.220 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -3.297 11.397 -4.443 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -4.044 12.588 -3.397 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -3.629 13.430 -7.323 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -3.298 11.833 -6.643 1.00 0.00 H new ATOM 204 N PHE A 15 -0.877 12.349 -1.085 1.00 0.00 N ATOM 205 CA PHE A 15 -0.836 12.028 0.374 1.00 0.00 C ATOM 206 C PHE A 15 -1.662 13.061 1.221 1.00 0.00 C ATOM 207 O PHE A 15 -2.601 12.665 1.916 1.00 0.00 O ATOM 208 CB PHE A 15 0.656 11.878 0.779 1.00 0.00 C ATOM 209 CG PHE A 15 0.907 11.223 2.146 1.00 0.00 C ATOM 210 CD1 PHE A 15 0.939 12.004 3.304 1.00 0.00 C ATOM 211 CD2 PHE A 15 1.186 9.857 2.241 1.00 0.00 C ATOM 212 CE1 PHE A 15 1.263 11.428 4.529 1.00 0.00 C ATOM 213 CE2 PHE A 15 1.529 9.287 3.463 1.00 0.00 C ATOM 214 CZ PHE A 15 1.564 10.074 4.608 1.00 0.00 C ATOM 0 H PHE A 15 -0.020 12.776 -1.436 1.00 0.00 H new ATOM 0 HA PHE A 15 -1.333 11.082 0.589 1.00 0.00 H new ATOM 0 HB2 PHE A 15 1.165 11.290 0.015 1.00 0.00 H new ATOM 0 HB3 PHE A 15 1.116 12.866 0.779 1.00 0.00 H new ATOM 0 HD1 PHE A 15 0.712 13.058 3.248 1.00 0.00 H new ATOM 0 HD2 PHE A 15 1.135 9.238 1.358 1.00 0.00 H new ATOM 0 HE1 PHE A 15 1.280 12.036 5.421 1.00 0.00 H new ATOM 0 HE2 PHE A 15 1.768 8.235 3.522 1.00 0.00 H new ATOM 0 HZ PHE A 15 1.825 9.633 5.559 1.00 0.00 H new ATOM 224 N GLU A 16 -1.345 14.371 1.127 1.00 0.00 N ATOM 225 CA GLU A 16 -2.114 15.476 1.779 1.00 0.00 C ATOM 226 C GLU A 16 -3.660 15.483 1.514 1.00 0.00 C ATOM 227 O GLU A 16 -4.450 15.546 2.462 1.00 0.00 O ATOM 228 CB GLU A 16 -1.439 16.822 1.361 1.00 0.00 C ATOM 229 CG GLU A 16 -0.307 17.325 2.295 1.00 0.00 C ATOM 230 CD GLU A 16 -0.823 18.061 3.517 1.00 0.00 C ATOM 231 OE1 GLU A 16 -1.254 19.226 3.384 1.00 0.00 O ATOM 232 OE2 GLU A 16 -0.882 17.475 4.616 1.00 0.00 O ATOM 0 H GLU A 16 -0.542 14.704 0.593 1.00 0.00 H new ATOM 0 HA GLU A 16 -2.065 15.319 2.857 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.032 16.706 0.357 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.209 17.592 1.306 1.00 0.00 H new ATOM 0 HG2 GLU A 16 0.294 16.475 2.618 1.00 0.00 H new ATOM 0 HG3 GLU A 16 0.353 17.986 1.732 1.00 0.00 H new ATOM 239 N ALA A 17 -4.083 15.394 0.238 1.00 0.00 N ATOM 240 CA ALA A 17 -5.517 15.283 -0.141 1.00 0.00 C ATOM 241 C ALA A 17 -6.250 13.983 0.343 1.00 0.00 C ATOM 242 O ALA A 17 -7.400 14.069 0.777 1.00 0.00 O ATOM 243 CB ALA A 17 -5.573 15.466 -1.670 1.00 0.00 C ATOM 0 H ALA A 17 -3.448 15.396 -0.560 1.00 0.00 H new ATOM 0 HA ALA A 17 -6.078 16.057 0.382 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -6.607 15.394 -2.007 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -5.172 16.445 -1.934 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -4.979 14.689 -2.151 1.00 0.00 H new ATOM 249 N PHE A 18 -5.600 12.801 0.293 1.00 0.00 N ATOM 250 CA PHE A 18 -6.183 11.524 0.800 1.00 0.00 C ATOM 251 C PHE A 18 -6.292 11.455 2.351 1.00 0.00 C ATOM 252 O PHE A 18 -7.390 11.216 2.857 1.00 0.00 O ATOM 253 CB PHE A 18 -5.375 10.357 0.169 1.00 0.00 C ATOM 254 CG PHE A 18 -5.921 8.932 0.377 1.00 0.00 C ATOM 255 CD1 PHE A 18 -5.575 8.218 1.529 1.00 0.00 C ATOM 256 CD2 PHE A 18 -6.691 8.305 -0.610 1.00 0.00 C ATOM 257 CE1 PHE A 18 -5.978 6.896 1.687 1.00 0.00 C ATOM 258 CE2 PHE A 18 -7.093 6.981 -0.452 1.00 0.00 C ATOM 259 CZ PHE A 18 -6.733 6.279 0.696 1.00 0.00 C ATOM 0 H PHE A 18 -4.663 12.697 -0.096 1.00 0.00 H new ATOM 0 HA PHE A 18 -7.225 11.450 0.489 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -5.301 10.538 -0.903 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -4.362 10.393 0.569 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -4.991 8.696 2.301 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -6.975 8.851 -1.498 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -5.705 6.350 2.578 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -7.683 6.499 -1.218 1.00 0.00 H new ATOM 0 HZ PHE A 18 -7.042 5.251 0.817 1.00 0.00 H new ATOM 269 N MET A 19 -5.194 11.670 3.098 1.00 0.00 N ATOM 270 CA MET A 19 -5.203 11.637 4.587 1.00 0.00 C ATOM 271 C MET A 19 -6.153 12.693 5.252 1.00 0.00 C ATOM 272 O MET A 19 -6.858 12.338 6.201 1.00 0.00 O ATOM 273 CB MET A 19 -3.747 11.661 5.104 1.00 0.00 C ATOM 274 CG MET A 19 -2.909 10.382 4.872 1.00 0.00 C ATOM 275 SD MET A 19 -2.704 10.035 3.111 1.00 0.00 S ATOM 276 CE MET A 19 -2.297 8.285 3.128 1.00 0.00 C ATOM 0 H MET A 19 -4.277 11.871 2.698 1.00 0.00 H new ATOM 0 HA MET A 19 -5.655 10.698 4.906 1.00 0.00 H new ATOM 0 HB2 MET A 19 -3.231 12.497 4.631 1.00 0.00 H new ATOM 0 HB3 MET A 19 -3.769 11.865 6.175 1.00 0.00 H new ATOM 0 HG2 MET A 19 -1.930 10.498 5.337 1.00 0.00 H new ATOM 0 HG3 MET A 19 -3.394 9.535 5.357 1.00 0.00 H new ATOM 0 HE1 MET A 19 -2.773 7.792 2.280 1.00 0.00 H new ATOM 0 HE2 MET A 19 -1.216 8.162 3.059 1.00 0.00 H new ATOM 0 HE3 MET A 19 -2.654 7.837 4.055 1.00 0.00 H new ATOM 286 N LYS A 20 -6.229 13.948 4.752 1.00 0.00 N ATOM 287 CA LYS A 20 -7.294 14.907 5.178 1.00 0.00 C ATOM 288 C LYS A 20 -8.743 14.449 4.768 1.00 0.00 C ATOM 289 O LYS A 20 -9.639 14.546 5.611 1.00 0.00 O ATOM 290 CB LYS A 20 -6.964 16.352 4.712 1.00 0.00 C ATOM 291 CG LYS A 20 -5.984 17.115 5.640 1.00 0.00 C ATOM 292 CD LYS A 20 -5.809 18.606 5.264 1.00 0.00 C ATOM 293 CE LYS A 20 -4.676 18.907 4.262 1.00 0.00 C ATOM 294 NZ LYS A 20 -3.375 19.019 4.971 1.00 0.00 N ATOM 0 H LYS A 20 -5.579 14.324 4.062 1.00 0.00 H new ATOM 0 HA LYS A 20 -7.299 14.910 6.268 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -6.538 16.309 3.710 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.892 16.919 4.640 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -6.342 17.048 6.667 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -5.011 16.624 5.609 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.747 18.970 4.846 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -5.625 19.174 6.176 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -4.623 18.116 3.514 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -4.889 19.834 3.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -2.680 19.480 4.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.498 19.586 5.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -3.036 18.070 5.226 1.00 0.00 H new ATOM 308 N ALA A 21 -8.994 13.929 3.540 1.00 0.00 N ATOM 309 CA ALA A 21 -10.318 13.349 3.166 1.00 0.00 C ATOM 310 C ALA A 21 -10.801 12.127 4.025 1.00 0.00 C ATOM 311 O ALA A 21 -11.991 12.050 4.339 1.00 0.00 O ATOM 312 CB ALA A 21 -10.270 13.010 1.664 1.00 0.00 C ATOM 0 H ALA A 21 -8.302 13.897 2.791 1.00 0.00 H new ATOM 0 HA ALA A 21 -11.073 14.104 3.385 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.225 12.583 1.357 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -10.078 13.918 1.092 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.474 12.289 1.479 1.00 0.00 H new ATOM 318 N ILE A 22 -9.908 11.194 4.422 1.00 0.00 N ATOM 319 CA ILE A 22 -10.262 10.057 5.339 1.00 0.00 C ATOM 320 C ILE A 22 -10.261 10.399 6.881 1.00 0.00 C ATOM 321 O ILE A 22 -10.632 9.536 7.683 1.00 0.00 O ATOM 322 CB ILE A 22 -9.453 8.749 5.003 1.00 0.00 C ATOM 323 CG1 ILE A 22 -7.921 8.838 5.263 1.00 0.00 C ATOM 324 CG2 ILE A 22 -9.734 8.242 3.566 1.00 0.00 C ATOM 325 CD1 ILE A 22 -7.194 7.488 5.371 1.00 0.00 C ATOM 0 H ILE A 22 -8.931 11.195 4.128 1.00 0.00 H new ATOM 0 HA ILE A 22 -11.312 9.858 5.125 1.00 0.00 H new ATOM 0 HB ILE A 22 -9.830 8.017 5.717 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -7.465 9.414 4.458 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -7.757 9.395 6.186 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -9.154 7.338 3.379 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -10.796 8.020 3.459 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -9.450 9.010 2.847 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -6.133 7.660 5.552 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -7.615 6.913 6.196 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -7.318 6.933 4.441 1.00 0.00 H new ATOM 337 N GLY A 23 -9.852 11.611 7.308 1.00 0.00 N ATOM 338 CA GLY A 23 -9.873 12.037 8.734 1.00 0.00 C ATOM 339 C GLY A 23 -8.600 11.828 9.582 1.00 0.00 C ATOM 340 O GLY A 23 -8.713 11.337 10.707 1.00 0.00 O ATOM 0 H GLY A 23 -9.496 12.328 6.677 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -10.118 13.099 8.760 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -10.690 11.509 9.226 1.00 0.00 H new ATOM 344 N LEU A 24 -7.418 12.236 9.089 1.00 0.00 N ATOM 345 CA LEU A 24 -6.136 12.129 9.848 1.00 0.00 C ATOM 346 C LEU A 24 -5.513 13.522 10.253 1.00 0.00 C ATOM 347 O LEU A 24 -5.812 14.537 9.610 1.00 0.00 O ATOM 348 CB LEU A 24 -5.142 11.217 9.063 1.00 0.00 C ATOM 349 CG LEU A 24 -5.030 9.771 9.618 1.00 0.00 C ATOM 350 CD1 LEU A 24 -6.186 8.877 9.145 1.00 0.00 C ATOM 351 CD2 LEU A 24 -3.683 9.146 9.239 1.00 0.00 C ATOM 0 H LEU A 24 -7.312 12.648 8.162 1.00 0.00 H new ATOM 0 HA LEU A 24 -6.356 11.659 10.807 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.456 11.170 8.020 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.154 11.678 9.079 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.094 9.841 10.704 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.064 7.876 9.559 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.133 9.297 9.484 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.182 8.823 8.056 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.627 8.133 9.638 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.589 9.114 8.154 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.874 9.746 9.655 1.00 0.00 H new ATOM 363 N PRO A 25 -4.625 13.623 11.294 1.00 0.00 N ATOM 364 CA PRO A 25 -4.036 14.917 11.733 1.00 0.00 C ATOM 365 C PRO A 25 -2.884 15.469 10.853 1.00 0.00 C ATOM 366 O PRO A 25 -1.937 14.755 10.512 1.00 0.00 O ATOM 367 CB PRO A 25 -3.506 14.601 13.143 1.00 0.00 C ATOM 368 CG PRO A 25 -3.299 13.086 13.190 1.00 0.00 C ATOM 369 CD PRO A 25 -4.193 12.475 12.116 1.00 0.00 C ATOM 0 HA PRO A 25 -4.790 15.702 11.674 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -2.571 15.128 13.335 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -4.215 14.921 13.906 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -2.254 12.835 13.009 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -3.556 12.693 14.174 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -3.651 11.742 11.519 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -5.046 11.959 12.557 1.00 0.00 H new ATOM 377 N GLU A 26 -2.918 16.783 10.595 1.00 0.00 N ATOM 378 CA GLU A 26 -1.876 17.493 9.808 1.00 0.00 C ATOM 379 C GLU A 26 -0.398 17.371 10.320 1.00 0.00 C ATOM 380 O GLU A 26 0.515 17.271 9.497 1.00 0.00 O ATOM 381 CB GLU A 26 -2.363 18.944 9.621 1.00 0.00 C ATOM 382 CG GLU A 26 -3.631 19.118 8.737 1.00 0.00 C ATOM 383 CD GLU A 26 -3.814 20.500 8.140 1.00 0.00 C ATOM 384 OE1 GLU A 26 -4.397 21.377 8.806 1.00 0.00 O ATOM 385 OE2 GLU A 26 -3.412 20.693 6.972 1.00 0.00 O ATOM 0 H GLU A 26 -3.667 17.394 10.923 1.00 0.00 H new ATOM 0 HA GLU A 26 -1.778 16.988 8.847 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -2.566 19.370 10.604 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.553 19.527 9.182 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -3.592 18.391 7.926 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -4.509 18.879 9.337 1.00 0.00 H new ATOM 392 N GLU A 27 -0.179 17.332 11.649 1.00 0.00 N ATOM 393 CA GLU A 27 1.140 17.021 12.280 1.00 0.00 C ATOM 394 C GLU A 27 1.734 15.626 11.865 1.00 0.00 C ATOM 395 O GLU A 27 2.875 15.571 11.394 1.00 0.00 O ATOM 396 CB GLU A 27 0.930 17.236 13.808 1.00 0.00 C ATOM 397 CG GLU A 27 2.125 16.936 14.756 1.00 0.00 C ATOM 398 CD GLU A 27 2.220 15.513 15.299 1.00 0.00 C ATOM 399 OE1 GLU A 27 1.208 14.982 15.799 1.00 0.00 O ATOM 400 OE2 GLU A 27 3.324 14.929 15.262 1.00 0.00 O ATOM 0 H GLU A 27 -0.915 17.516 12.331 1.00 0.00 H new ATOM 0 HA GLU A 27 1.925 17.685 11.918 1.00 0.00 H new ATOM 0 HB2 GLU A 27 0.633 18.273 13.962 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.091 16.615 14.121 1.00 0.00 H new ATOM 0 HG2 GLU A 27 3.049 17.160 14.223 1.00 0.00 H new ATOM 0 HG3 GLU A 27 2.071 17.621 15.602 1.00 0.00 H new ATOM 407 N LEU A 28 0.968 14.519 11.980 1.00 0.00 N ATOM 408 CA LEU A 28 1.415 13.178 11.487 1.00 0.00 C ATOM 409 C LEU A 28 1.501 13.075 9.916 1.00 0.00 C ATOM 410 O LEU A 28 2.417 12.435 9.391 1.00 0.00 O ATOM 411 CB LEU A 28 0.555 12.034 12.098 1.00 0.00 C ATOM 412 CG LEU A 28 0.341 11.977 13.640 1.00 0.00 C ATOM 413 CD1 LEU A 28 -0.511 10.751 14.018 1.00 0.00 C ATOM 414 CD2 LEU A 28 1.631 11.950 14.475 1.00 0.00 C ATOM 0 H LEU A 28 0.041 14.517 12.406 1.00 0.00 H new ATOM 0 HA LEU A 28 2.439 13.056 11.840 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.430 12.081 11.633 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.006 11.089 11.795 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.168 12.910 13.882 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.652 10.725 15.099 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.482 10.817 13.527 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.003 9.842 13.696 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.378 11.911 15.534 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.218 11.071 14.209 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.213 12.849 14.274 1.00 0.00 H new ATOM 426 N ILE A 29 0.586 13.726 9.165 1.00 0.00 N ATOM 427 CA ILE A 29 0.626 13.817 7.667 1.00 0.00 C ATOM 428 C ILE A 29 1.922 14.552 7.169 1.00 0.00 C ATOM 429 O ILE A 29 2.634 14.022 6.312 1.00 0.00 O ATOM 430 CB ILE A 29 -0.700 14.430 7.082 1.00 0.00 C ATOM 431 CG1 ILE A 29 -1.982 13.658 7.508 1.00 0.00 C ATOM 432 CG2 ILE A 29 -0.696 14.508 5.531 1.00 0.00 C ATOM 433 CD1 ILE A 29 -3.312 14.403 7.278 1.00 0.00 C ATOM 0 H ILE A 29 -0.213 14.211 9.574 1.00 0.00 H new ATOM 0 HA ILE A 29 0.682 12.802 7.273 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.726 15.434 7.506 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.015 12.715 6.963 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -1.902 13.412 8.567 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -1.636 14.939 5.186 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.133 15.134 5.200 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -0.582 13.506 5.117 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -4.141 13.777 7.608 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -3.311 15.333 7.846 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -3.426 14.626 6.217 1.00 0.00 H new ATOM 445 N GLN A 30 2.247 15.737 7.727 1.00 0.00 N ATOM 446 CA GLN A 30 3.543 16.441 7.472 1.00 0.00 C ATOM 447 C GLN A 30 4.842 15.627 7.808 1.00 0.00 C ATOM 448 O GLN A 30 5.880 15.871 7.190 1.00 0.00 O ATOM 449 CB GLN A 30 3.497 17.831 8.178 1.00 0.00 C ATOM 450 CG GLN A 30 2.974 19.039 7.345 1.00 0.00 C ATOM 451 CD GLN A 30 1.863 18.816 6.308 1.00 0.00 C ATOM 452 OE1 GLN A 30 2.111 18.822 5.106 1.00 0.00 O ATOM 453 NE2 GLN A 30 0.641 18.585 6.719 1.00 0.00 N ATOM 0 H GLN A 30 1.629 16.239 8.365 1.00 0.00 H new ATOM 0 HA GLN A 30 3.630 16.567 6.393 1.00 0.00 H new ATOM 0 HB2 GLN A 30 2.872 17.738 9.066 1.00 0.00 H new ATOM 0 HB3 GLN A 30 4.504 18.069 8.521 1.00 0.00 H new ATOM 0 HG2 GLN A 30 2.618 19.792 8.049 1.00 0.00 H new ATOM 0 HG3 GLN A 30 3.828 19.470 6.822 1.00 0.00 H new ATOM 0 HE21 GLN A 30 0.431 18.579 7.717 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -0.101 18.411 6.041 1.00 0.00 H new ATOM 462 N LYS A 31 4.785 14.662 8.745 1.00 0.00 N ATOM 463 CA LYS A 31 5.904 13.723 9.014 1.00 0.00 C ATOM 464 C LYS A 31 6.005 12.604 7.924 1.00 0.00 C ATOM 465 O LYS A 31 7.046 12.497 7.273 1.00 0.00 O ATOM 466 CB LYS A 31 5.717 13.156 10.444 1.00 0.00 C ATOM 467 CG LYS A 31 6.116 14.116 11.585 1.00 0.00 C ATOM 468 CD LYS A 31 5.691 13.537 12.943 1.00 0.00 C ATOM 469 CE LYS A 31 6.282 14.291 14.142 1.00 0.00 C ATOM 470 NZ LYS A 31 5.645 13.733 15.358 1.00 0.00 N ATOM 0 H LYS A 31 3.969 14.507 9.337 1.00 0.00 H new ATOM 0 HA LYS A 31 6.856 14.251 8.961 1.00 0.00 H new ATOM 0 HB2 LYS A 31 4.671 12.877 10.574 1.00 0.00 H new ATOM 0 HB3 LYS A 31 6.305 12.243 10.536 1.00 0.00 H new ATOM 0 HG2 LYS A 31 7.194 14.278 11.573 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.646 15.087 11.433 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.603 13.555 13.013 1.00 0.00 H new ATOM 0 HD3 LYS A 31 5.996 12.492 12.995 1.00 0.00 H new ATOM 0 HE2 LYS A 31 7.364 14.166 14.181 1.00 0.00 H new ATOM 0 HE3 LYS A 31 6.087 15.360 14.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 6.166 14.052 16.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 4.660 14.061 15.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 5.662 12.694 15.313 1.00 0.00 H new ATOM 484 N GLY A 32 4.950 11.790 7.702 1.00 0.00 N ATOM 485 CA GLY A 32 4.978 10.712 6.672 1.00 0.00 C ATOM 486 C GLY A 32 4.923 11.053 5.162 1.00 0.00 C ATOM 487 O GLY A 32 5.103 10.135 4.357 1.00 0.00 O ATOM 0 H GLY A 32 4.071 11.853 8.215 1.00 0.00 H new ATOM 0 HA2 GLY A 32 5.889 10.136 6.837 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.139 10.048 6.881 1.00 0.00 H new ATOM 491 N LYS A 33 4.687 12.314 4.758 1.00 0.00 N ATOM 492 CA LYS A 33 4.634 12.707 3.317 1.00 0.00 C ATOM 493 C LYS A 33 5.961 12.620 2.481 1.00 0.00 C ATOM 494 O LYS A 33 5.910 12.187 1.326 1.00 0.00 O ATOM 495 CB LYS A 33 3.948 14.097 3.192 1.00 0.00 C ATOM 496 CG LYS A 33 4.689 15.304 3.821 1.00 0.00 C ATOM 497 CD LYS A 33 4.046 16.673 3.535 1.00 0.00 C ATOM 498 CE LYS A 33 4.315 17.236 2.123 1.00 0.00 C ATOM 499 NZ LYS A 33 5.703 17.767 1.986 1.00 0.00 N ATOM 0 H LYS A 33 4.528 13.088 5.403 1.00 0.00 H new ATOM 0 HA LYS A 33 4.039 11.928 2.841 1.00 0.00 H new ATOM 0 HB2 LYS A 33 3.796 14.306 2.133 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.960 14.030 3.648 1.00 0.00 H new ATOM 0 HG2 LYS A 33 4.739 15.160 4.900 1.00 0.00 H new ATOM 0 HG3 LYS A 33 5.715 15.315 3.453 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.969 16.589 3.677 1.00 0.00 H new ATOM 0 HD3 LYS A 33 4.410 17.390 4.271 1.00 0.00 H new ATOM 0 HE2 LYS A 33 4.153 16.452 1.383 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.600 18.030 1.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 6.039 17.615 1.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 5.708 18.785 2.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 6.331 17.272 2.651 1.00 0.00 H new ATOM 513 N ASP A 34 7.114 13.022 3.046 1.00 0.00 N ATOM 514 CA ASP A 34 8.422 13.072 2.315 1.00 0.00 C ATOM 515 C ASP A 34 9.476 11.956 2.679 1.00 0.00 C ATOM 516 O ASP A 34 10.559 11.926 2.084 1.00 0.00 O ATOM 517 CB ASP A 34 9.033 14.490 2.531 1.00 0.00 C ATOM 518 CG ASP A 34 8.198 15.695 2.082 1.00 0.00 C ATOM 519 OD1 ASP A 34 7.879 15.830 0.884 1.00 0.00 O ATOM 520 OD2 ASP A 34 7.809 16.511 2.945 1.00 0.00 O ATOM 0 H ASP A 34 7.180 13.323 4.018 1.00 0.00 H new ATOM 0 HA ASP A 34 8.193 12.866 1.269 1.00 0.00 H new ATOM 0 HB2 ASP A 34 9.247 14.606 3.593 1.00 0.00 H new ATOM 0 HB3 ASP A 34 9.988 14.528 2.007 1.00 0.00 H new ATOM 525 N ILE A 35 9.193 11.026 3.616 1.00 0.00 N ATOM 526 CA ILE A 35 10.161 9.976 4.065 1.00 0.00 C ATOM 527 C ILE A 35 10.282 8.836 2.994 1.00 0.00 C ATOM 528 O ILE A 35 9.327 8.086 2.762 1.00 0.00 O ATOM 529 CB ILE A 35 9.768 9.445 5.501 1.00 0.00 C ATOM 530 CG1 ILE A 35 9.820 10.548 6.606 1.00 0.00 C ATOM 531 CG2 ILE A 35 10.641 8.244 5.970 1.00 0.00 C ATOM 532 CD1 ILE A 35 9.102 10.209 7.927 1.00 0.00 C ATOM 0 H ILE A 35 8.290 10.973 4.088 1.00 0.00 H new ATOM 0 HA ILE A 35 11.155 10.415 4.155 1.00 0.00 H new ATOM 0 HB ILE A 35 8.737 9.114 5.379 1.00 0.00 H new ATOM 0 HG12 ILE A 35 10.865 10.764 6.828 1.00 0.00 H new ATOM 0 HG13 ILE A 35 9.384 11.462 6.202 1.00 0.00 H new ATOM 0 HG21 ILE A 35 10.321 7.927 6.962 1.00 0.00 H new ATOM 0 HG22 ILE A 35 10.527 7.416 5.270 1.00 0.00 H new ATOM 0 HG23 ILE A 35 11.687 8.547 6.006 1.00 0.00 H new ATOM 0 HD11 ILE A 35 9.202 11.044 8.620 1.00 0.00 H new ATOM 0 HD12 ILE A 35 8.046 10.025 7.730 1.00 0.00 H new ATOM 0 HD13 ILE A 35 9.550 9.317 8.366 1.00 0.00 H new ATOM 544 N LYS A 36 11.480 8.658 2.398 1.00 0.00 N ATOM 545 CA LYS A 36 11.743 7.553 1.427 1.00 0.00 C ATOM 546 C LYS A 36 11.999 6.179 2.147 1.00 0.00 C ATOM 547 O LYS A 36 13.128 5.678 2.209 1.00 0.00 O ATOM 548 CB LYS A 36 12.922 7.944 0.490 1.00 0.00 C ATOM 549 CG LYS A 36 12.644 9.048 -0.560 1.00 0.00 C ATOM 550 CD LYS A 36 13.706 9.027 -1.683 1.00 0.00 C ATOM 551 CE LYS A 36 13.446 10.074 -2.778 1.00 0.00 C ATOM 552 NZ LYS A 36 14.328 9.803 -3.948 1.00 0.00 N ATOM 0 H LYS A 36 12.286 9.260 2.566 1.00 0.00 H new ATOM 0 HA LYS A 36 10.849 7.413 0.820 1.00 0.00 H new ATOM 0 HB2 LYS A 36 13.756 8.269 1.112 1.00 0.00 H new ATOM 0 HB3 LYS A 36 13.248 7.048 -0.038 1.00 0.00 H new ATOM 0 HG2 LYS A 36 11.653 8.904 -0.990 1.00 0.00 H new ATOM 0 HG3 LYS A 36 12.643 10.024 -0.075 1.00 0.00 H new ATOM 0 HD2 LYS A 36 14.690 9.202 -1.248 1.00 0.00 H new ATOM 0 HD3 LYS A 36 13.729 8.035 -2.135 1.00 0.00 H new ATOM 0 HE2 LYS A 36 12.400 10.044 -3.083 1.00 0.00 H new ATOM 0 HE3 LYS A 36 13.636 11.075 -2.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 14.139 10.502 -4.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 15.324 9.870 -3.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 14.138 8.848 -4.312 1.00 0.00 H new ATOM 566 N GLY A 37 10.929 5.563 2.677 1.00 0.00 N ATOM 567 CA GLY A 37 11.025 4.267 3.400 1.00 0.00 C ATOM 568 C GLY A 37 10.926 2.992 2.531 1.00 0.00 C ATOM 569 O GLY A 37 10.687 3.033 1.323 1.00 0.00 O ATOM 0 H GLY A 37 9.981 5.937 2.622 1.00 0.00 H new ATOM 0 HA2 GLY A 37 11.974 4.243 3.936 1.00 0.00 H new ATOM 0 HA3 GLY A 37 10.234 4.233 4.149 1.00 0.00 H new ATOM 573 N VAL A 38 11.114 1.837 3.180 1.00 0.00 N ATOM 574 CA VAL A 38 11.044 0.500 2.514 1.00 0.00 C ATOM 575 C VAL A 38 9.579 -0.065 2.540 1.00 0.00 C ATOM 576 O VAL A 38 8.858 0.041 3.541 1.00 0.00 O ATOM 577 CB VAL A 38 12.102 -0.470 3.158 1.00 0.00 C ATOM 578 CG1 VAL A 38 12.066 -1.912 2.597 1.00 0.00 C ATOM 579 CG2 VAL A 38 13.565 0.015 2.993 1.00 0.00 C ATOM 0 H VAL A 38 11.319 1.786 4.178 1.00 0.00 H new ATOM 0 HA VAL A 38 11.302 0.600 1.460 1.00 0.00 H new ATOM 0 HB VAL A 38 11.806 -0.467 4.207 1.00 0.00 H new ATOM 0 HG11 VAL A 38 12.826 -2.515 3.094 1.00 0.00 H new ATOM 0 HG12 VAL A 38 11.083 -2.348 2.776 1.00 0.00 H new ATOM 0 HG13 VAL A 38 12.264 -1.890 1.525 1.00 0.00 H new ATOM 0 HG21 VAL A 38 14.241 -0.701 3.460 1.00 0.00 H new ATOM 0 HG22 VAL A 38 13.803 0.100 1.933 1.00 0.00 H new ATOM 0 HG23 VAL A 38 13.682 0.988 3.470 1.00 0.00 H new ATOM 589 N SER A 39 9.166 -0.681 1.423 1.00 0.00 N ATOM 590 CA SER A 39 7.867 -1.387 1.291 1.00 0.00 C ATOM 591 C SER A 39 8.172 -2.829 0.796 1.00 0.00 C ATOM 592 O SER A 39 8.372 -3.096 -0.393 1.00 0.00 O ATOM 593 CB SER A 39 6.945 -0.654 0.306 1.00 0.00 C ATOM 594 OG SER A 39 6.439 0.566 0.844 1.00 0.00 O ATOM 0 H SER A 39 9.726 -0.708 0.571 1.00 0.00 H new ATOM 0 HA SER A 39 7.349 -1.415 2.250 1.00 0.00 H new ATOM 0 HB2 SER A 39 7.492 -0.444 -0.613 1.00 0.00 H new ATOM 0 HB3 SER A 39 6.112 -1.304 0.039 1.00 0.00 H new ATOM 0 HG SER A 39 5.616 0.815 0.373 1.00 0.00 H new ATOM 600 N GLU A 40 8.228 -3.762 1.744 1.00 0.00 N ATOM 601 CA GLU A 40 8.545 -5.186 1.467 1.00 0.00 C ATOM 602 C GLU A 40 7.320 -6.022 1.006 1.00 0.00 C ATOM 603 O GLU A 40 6.192 -5.784 1.443 1.00 0.00 O ATOM 604 CB GLU A 40 9.123 -5.765 2.781 1.00 0.00 C ATOM 605 CG GLU A 40 9.787 -7.163 2.706 1.00 0.00 C ATOM 606 CD GLU A 40 10.375 -7.611 4.031 1.00 0.00 C ATOM 607 OE1 GLU A 40 9.611 -7.852 4.991 1.00 0.00 O ATOM 608 OE2 GLU A 40 11.615 -7.712 4.120 1.00 0.00 O ATOM 0 H GLU A 40 8.057 -3.565 2.730 1.00 0.00 H new ATOM 0 HA GLU A 40 9.251 -5.238 0.638 1.00 0.00 H new ATOM 0 HB2 GLU A 40 9.861 -5.061 3.165 1.00 0.00 H new ATOM 0 HB3 GLU A 40 8.317 -5.813 3.513 1.00 0.00 H new ATOM 0 HG2 GLU A 40 9.048 -7.893 2.377 1.00 0.00 H new ATOM 0 HG3 GLU A 40 10.574 -7.145 1.953 1.00 0.00 H new ATOM 615 N ILE A 41 7.564 -7.020 0.145 1.00 0.00 N ATOM 616 CA ILE A 41 6.538 -8.031 -0.239 1.00 0.00 C ATOM 617 C ILE A 41 7.302 -9.392 -0.443 1.00 0.00 C ATOM 618 O ILE A 41 8.303 -9.449 -1.165 1.00 0.00 O ATOM 619 CB ILE A 41 5.695 -7.677 -1.523 1.00 0.00 C ATOM 620 CG1 ILE A 41 5.069 -6.253 -1.570 1.00 0.00 C ATOM 621 CG2 ILE A 41 4.570 -8.724 -1.764 1.00 0.00 C ATOM 622 CD1 ILE A 41 4.577 -5.831 -2.967 1.00 0.00 C ATOM 0 H ILE A 41 8.467 -7.159 -0.308 1.00 0.00 H new ATOM 0 HA ILE A 41 5.796 -8.075 0.558 1.00 0.00 H new ATOM 0 HB ILE A 41 6.441 -7.699 -2.318 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.232 -6.212 -0.873 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.808 -5.531 -1.223 1.00 0.00 H new ATOM 0 HG21 ILE A 41 4.006 -8.453 -2.656 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.014 -9.710 -1.901 1.00 0.00 H new ATOM 0 HG23 ILE A 41 3.901 -8.744 -0.904 1.00 0.00 H new ATOM 0 HD11 ILE A 41 4.154 -4.828 -2.916 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.414 -5.837 -3.665 1.00 0.00 H new ATOM 0 HD13 ILE A 41 3.814 -6.529 -3.310 1.00 0.00 H new ATOM 634 N VAL A 42 6.806 -10.490 0.156 1.00 0.00 N ATOM 635 CA VAL A 42 7.363 -11.866 -0.050 1.00 0.00 C ATOM 636 C VAL A 42 6.242 -12.693 -0.767 1.00 0.00 C ATOM 637 O VAL A 42 5.246 -13.069 -0.134 1.00 0.00 O ATOM 638 CB VAL A 42 7.834 -12.575 1.272 1.00 0.00 C ATOM 639 CG1 VAL A 42 8.687 -13.833 0.981 1.00 0.00 C ATOM 640 CG2 VAL A 42 8.627 -11.705 2.274 1.00 0.00 C ATOM 0 H VAL A 42 6.012 -10.463 0.796 1.00 0.00 H new ATOM 0 HA VAL A 42 8.270 -11.796 -0.650 1.00 0.00 H new ATOM 0 HB VAL A 42 6.884 -12.824 1.745 1.00 0.00 H new ATOM 0 HG11 VAL A 42 8.991 -14.292 1.922 1.00 0.00 H new ATOM 0 HG12 VAL A 42 8.099 -14.546 0.403 1.00 0.00 H new ATOM 0 HG13 VAL A 42 9.573 -13.549 0.413 1.00 0.00 H new ATOM 0 HG21 VAL A 42 8.895 -12.305 3.144 1.00 0.00 H new ATOM 0 HG22 VAL A 42 9.533 -11.334 1.796 1.00 0.00 H new ATOM 0 HG23 VAL A 42 8.012 -10.862 2.590 1.00 0.00 H new ATOM 650 N GLN A 43 6.397 -12.997 -2.070 1.00 0.00 N ATOM 651 CA GLN A 43 5.374 -13.751 -2.851 1.00 0.00 C ATOM 652 C GLN A 43 5.449 -15.297 -2.605 1.00 0.00 C ATOM 653 O GLN A 43 6.340 -15.976 -3.123 1.00 0.00 O ATOM 654 CB GLN A 43 5.554 -13.353 -4.343 1.00 0.00 C ATOM 655 CG GLN A 43 4.477 -13.922 -5.307 1.00 0.00 C ATOM 656 CD GLN A 43 4.556 -13.459 -6.772 1.00 0.00 C ATOM 657 OE1 GLN A 43 5.518 -12.857 -7.239 1.00 0.00 O ATOM 658 NE2 GLN A 43 3.534 -13.746 -7.542 1.00 0.00 N ATOM 0 H GLN A 43 7.220 -12.735 -2.613 1.00 0.00 H new ATOM 0 HA GLN A 43 4.370 -13.485 -2.521 1.00 0.00 H new ATOM 0 HB2 GLN A 43 5.548 -12.266 -4.417 1.00 0.00 H new ATOM 0 HB3 GLN A 43 6.535 -13.690 -4.678 1.00 0.00 H new ATOM 0 HG2 GLN A 43 4.543 -15.010 -5.289 1.00 0.00 H new ATOM 0 HG3 GLN A 43 3.495 -13.655 -4.917 1.00 0.00 H new ATOM 0 HE21 GLN A 43 2.732 -14.246 -7.159 1.00 0.00 H new ATOM 0 HE22 GLN A 43 3.541 -13.469 -8.524 1.00 0.00 H new ATOM 667 N ASN A 44 4.492 -15.850 -1.837 1.00 0.00 N ATOM 668 CA ASN A 44 4.421 -17.316 -1.544 1.00 0.00 C ATOM 669 C ASN A 44 3.132 -17.929 -2.198 1.00 0.00 C ATOM 670 O ASN A 44 2.205 -18.367 -1.504 1.00 0.00 O ATOM 671 CB ASN A 44 4.474 -17.546 -0.002 1.00 0.00 C ATOM 672 CG ASN A 44 5.726 -17.076 0.747 1.00 0.00 C ATOM 673 OD1 ASN A 44 6.702 -17.797 0.905 1.00 0.00 O ATOM 674 ND2 ASN A 44 5.734 -15.868 1.255 1.00 0.00 N ATOM 0 H ASN A 44 3.746 -15.309 -1.400 1.00 0.00 H new ATOM 0 HA ASN A 44 5.279 -17.828 -1.980 1.00 0.00 H new ATOM 0 HB2 ASN A 44 3.612 -17.048 0.441 1.00 0.00 H new ATOM 0 HB3 ASN A 44 4.354 -18.614 0.182 1.00 0.00 H new ATOM 0 HD21 ASN A 44 6.547 -15.539 1.775 1.00 0.00 H new ATOM 0 HD22 ASN A 44 4.927 -15.257 1.130 1.00 0.00 H new ATOM 681 N GLY A 45 3.067 -17.954 -3.549 1.00 0.00 N ATOM 682 CA GLY A 45 1.869 -18.437 -4.299 1.00 0.00 C ATOM 683 C GLY A 45 0.629 -17.527 -4.136 1.00 0.00 C ATOM 684 O GLY A 45 0.494 -16.516 -4.826 1.00 0.00 O ATOM 0 H GLY A 45 3.831 -17.645 -4.151 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.119 -18.511 -5.357 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.619 -19.442 -3.960 1.00 0.00 H new ATOM 688 N LYS A 46 -0.261 -17.903 -3.207 1.00 0.00 N ATOM 689 CA LYS A 46 -1.410 -17.051 -2.789 1.00 0.00 C ATOM 690 C LYS A 46 -1.055 -16.046 -1.632 1.00 0.00 C ATOM 691 O LYS A 46 -1.609 -14.946 -1.625 1.00 0.00 O ATOM 692 CB LYS A 46 -2.601 -17.960 -2.364 1.00 0.00 C ATOM 693 CG LYS A 46 -3.297 -18.758 -3.498 1.00 0.00 C ATOM 694 CD LYS A 46 -4.373 -19.762 -3.002 1.00 0.00 C ATOM 695 CE LYS A 46 -5.858 -19.360 -3.157 1.00 0.00 C ATOM 696 NZ LYS A 46 -6.237 -18.226 -2.273 1.00 0.00 N ATOM 0 H LYS A 46 -0.216 -18.798 -2.720 1.00 0.00 H new ATOM 0 HA LYS A 46 -1.684 -16.440 -3.649 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.241 -18.669 -1.618 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -3.350 -17.336 -1.876 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -3.763 -18.055 -4.188 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -2.540 -19.303 -4.061 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -4.223 -20.703 -3.532 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -4.187 -19.958 -1.946 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -6.051 -19.088 -4.195 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -6.489 -20.219 -2.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -7.185 -18.395 -1.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -5.549 -18.145 -1.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -6.243 -17.344 -2.824 1.00 0.00 H new ATOM 710 N HIS A 47 -0.183 -16.401 -0.661 1.00 0.00 N ATOM 711 CA HIS A 47 0.145 -15.542 0.513 1.00 0.00 C ATOM 712 C HIS A 47 1.308 -14.543 0.225 1.00 0.00 C ATOM 713 O HIS A 47 2.467 -14.924 0.042 1.00 0.00 O ATOM 714 CB HIS A 47 0.479 -16.451 1.731 1.00 0.00 C ATOM 715 CG HIS A 47 -0.727 -17.148 2.357 1.00 0.00 C ATOM 716 ND1 HIS A 47 -1.165 -18.411 2.011 1.00 0.00 N ATOM 717 CD2 HIS A 47 -1.591 -16.587 3.311 1.00 0.00 C ATOM 718 CE1 HIS A 47 -2.281 -18.501 2.799 1.00 0.00 C ATOM 719 NE2 HIS A 47 -2.643 -17.447 3.599 1.00 0.00 N ATOM 0 H HIS A 47 0.316 -17.290 -0.664 1.00 0.00 H new ATOM 0 HA HIS A 47 -0.728 -14.929 0.736 1.00 0.00 H new ATOM 0 HB2 HIS A 47 1.196 -17.209 1.416 1.00 0.00 H new ATOM 0 HB3 HIS A 47 0.969 -15.847 2.494 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -1.455 -15.615 3.762 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -2.876 -19.402 2.791 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -3.444 -17.330 4.219 1.00 0.00 H new ATOM 727 N PHE A 48 0.982 -13.247 0.215 1.00 0.00 N ATOM 728 CA PHE A 48 1.951 -12.154 -0.049 1.00 0.00 C ATOM 729 C PHE A 48 2.257 -11.449 1.308 1.00 0.00 C ATOM 730 O PHE A 48 1.446 -10.660 1.808 1.00 0.00 O ATOM 731 CB PHE A 48 1.322 -11.193 -1.092 1.00 0.00 C ATOM 732 CG PHE A 48 1.333 -11.590 -2.587 1.00 0.00 C ATOM 733 CD1 PHE A 48 0.775 -12.789 -3.051 1.00 0.00 C ATOM 734 CD2 PHE A 48 1.797 -10.658 -3.520 1.00 0.00 C ATOM 735 CE1 PHE A 48 0.704 -13.055 -4.417 1.00 0.00 C ATOM 736 CE2 PHE A 48 1.711 -10.918 -4.882 1.00 0.00 C ATOM 737 CZ PHE A 48 1.166 -12.113 -5.330 1.00 0.00 C ATOM 0 H PHE A 48 0.034 -12.914 0.390 1.00 0.00 H new ATOM 0 HA PHE A 48 2.892 -12.520 -0.459 1.00 0.00 H new ATOM 0 HB2 PHE A 48 0.284 -11.030 -0.804 1.00 0.00 H new ATOM 0 HB3 PHE A 48 1.832 -10.234 -1.004 1.00 0.00 H new ATOM 0 HD1 PHE A 48 0.397 -13.513 -2.344 1.00 0.00 H new ATOM 0 HD2 PHE A 48 2.226 -9.727 -3.179 1.00 0.00 H new ATOM 0 HE1 PHE A 48 0.291 -13.990 -4.766 1.00 0.00 H new ATOM 0 HE2 PHE A 48 2.069 -10.189 -5.594 1.00 0.00 H new ATOM 0 HZ PHE A 48 1.100 -12.312 -6.390 1.00 0.00 H new ATOM 747 N LYS A 49 3.424 -11.741 1.909 1.00 0.00 N ATOM 748 CA LYS A 49 3.803 -11.189 3.245 1.00 0.00 C ATOM 749 C LYS A 49 4.476 -9.805 3.105 1.00 0.00 C ATOM 750 O LYS A 49 5.580 -9.710 2.561 1.00 0.00 O ATOM 751 CB LYS A 49 4.733 -12.165 4.011 1.00 0.00 C ATOM 752 CG LYS A 49 4.095 -13.524 4.355 1.00 0.00 C ATOM 753 CD LYS A 49 5.103 -14.545 4.925 1.00 0.00 C ATOM 754 CE LYS A 49 4.646 -16.014 4.849 1.00 0.00 C ATOM 755 NZ LYS A 49 3.464 -16.293 5.714 1.00 0.00 N ATOM 0 H LYS A 49 4.128 -12.355 1.500 1.00 0.00 H new ATOM 0 HA LYS A 49 2.885 -11.068 3.821 1.00 0.00 H new ATOM 0 HB2 LYS A 49 5.627 -12.340 3.412 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.057 -11.687 4.935 1.00 0.00 H new ATOM 0 HG2 LYS A 49 3.296 -13.369 5.080 1.00 0.00 H new ATOM 0 HG3 LYS A 49 3.636 -13.939 3.458 1.00 0.00 H new ATOM 0 HD2 LYS A 49 6.045 -14.444 4.386 1.00 0.00 H new ATOM 0 HD3 LYS A 49 5.303 -14.295 5.967 1.00 0.00 H new ATOM 0 HE2 LYS A 49 4.402 -16.262 3.816 1.00 0.00 H new ATOM 0 HE3 LYS A 49 5.470 -16.663 5.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 3.530 -17.260 6.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 3.442 -15.614 6.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 2.593 -16.200 5.153 1.00 0.00 H new ATOM 769 N PHE A 50 3.819 -8.746 3.597 1.00 0.00 N ATOM 770 CA PHE A 50 4.355 -7.361 3.492 1.00 0.00 C ATOM 771 C PHE A 50 4.948 -6.766 4.803 1.00 0.00 C ATOM 772 O PHE A 50 4.496 -7.068 5.912 1.00 0.00 O ATOM 773 CB PHE A 50 3.348 -6.427 2.747 1.00 0.00 C ATOM 774 CG PHE A 50 2.021 -5.894 3.352 1.00 0.00 C ATOM 775 CD1 PHE A 50 1.895 -5.416 4.665 1.00 0.00 C ATOM 776 CD2 PHE A 50 0.961 -5.683 2.464 1.00 0.00 C ATOM 777 CE1 PHE A 50 0.734 -4.769 5.080 1.00 0.00 C ATOM 778 CE2 PHE A 50 -0.205 -5.048 2.879 1.00 0.00 C ATOM 779 CZ PHE A 50 -0.317 -4.591 4.188 1.00 0.00 C ATOM 0 H PHE A 50 2.918 -8.810 4.072 1.00 0.00 H new ATOM 0 HA PHE A 50 5.247 -7.432 2.869 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.918 -5.547 2.450 1.00 0.00 H new ATOM 0 HB3 PHE A 50 3.072 -6.951 1.832 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.708 -5.552 5.362 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.049 -6.018 1.441 1.00 0.00 H new ATOM 0 HE1 PHE A 50 0.650 -4.406 6.094 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.022 -4.910 2.186 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.221 -4.097 4.512 1.00 0.00 H new ATOM 789 N THR A 51 5.940 -5.873 4.640 1.00 0.00 N ATOM 790 CA THR A 51 6.508 -5.065 5.765 1.00 0.00 C ATOM 791 C THR A 51 6.526 -3.593 5.228 1.00 0.00 C ATOM 792 O THR A 51 7.463 -3.187 4.531 1.00 0.00 O ATOM 793 CB THR A 51 7.896 -5.590 6.260 1.00 0.00 C ATOM 794 OG1 THR A 51 7.907 -7.005 6.440 1.00 0.00 O ATOM 795 CG2 THR A 51 8.366 -4.977 7.579 1.00 0.00 C ATOM 0 H THR A 51 6.376 -5.682 3.738 1.00 0.00 H new ATOM 0 HA THR A 51 5.904 -5.139 6.669 1.00 0.00 H new ATOM 0 HB THR A 51 8.574 -5.287 5.462 1.00 0.00 H new ATOM 0 HG1 THR A 51 8.737 -7.375 6.073 1.00 0.00 H new ATOM 0 HG21 THR A 51 9.335 -5.395 7.850 1.00 0.00 H new ATOM 0 HG22 THR A 51 8.456 -3.897 7.467 1.00 0.00 H new ATOM 0 HG23 THR A 51 7.642 -5.201 8.363 1.00 0.00 H new ATOM 803 N ILE A 52 5.471 -2.802 5.514 1.00 0.00 N ATOM 804 CA ILE A 52 5.277 -1.449 4.900 1.00 0.00 C ATOM 805 C ILE A 52 5.626 -0.301 5.896 1.00 0.00 C ATOM 806 O ILE A 52 5.164 -0.262 7.038 1.00 0.00 O ATOM 807 CB ILE A 52 3.822 -1.308 4.313 1.00 0.00 C ATOM 808 CG1 ILE A 52 3.407 -2.420 3.302 1.00 0.00 C ATOM 809 CG2 ILE A 52 3.521 0.072 3.670 1.00 0.00 C ATOM 810 CD1 ILE A 52 4.292 -2.604 2.058 1.00 0.00 C ATOM 0 H ILE A 52 4.733 -3.068 6.166 1.00 0.00 H new ATOM 0 HA ILE A 52 5.977 -1.354 4.070 1.00 0.00 H new ATOM 0 HB ILE A 52 3.218 -1.421 5.213 1.00 0.00 H new ATOM 0 HG12 ILE A 52 3.375 -3.369 3.838 1.00 0.00 H new ATOM 0 HG13 ILE A 52 2.392 -2.210 2.966 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.499 0.082 3.292 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.639 0.856 4.418 1.00 0.00 H new ATOM 0 HG23 ILE A 52 4.214 0.249 2.847 1.00 0.00 H new ATOM 0 HD11 ILE A 52 3.890 -3.408 1.441 1.00 0.00 H new ATOM 0 HD12 ILE A 52 4.307 -1.679 1.482 1.00 0.00 H new ATOM 0 HD13 ILE A 52 5.306 -2.856 2.367 1.00 0.00 H new ATOM 822 N THR A 53 6.391 0.685 5.412 1.00 0.00 N ATOM 823 CA THR A 53 6.768 1.892 6.195 1.00 0.00 C ATOM 824 C THR A 53 5.755 3.055 5.938 1.00 0.00 C ATOM 825 O THR A 53 5.695 3.666 4.861 1.00 0.00 O ATOM 826 CB THR A 53 8.232 2.337 5.901 1.00 0.00 C ATOM 827 OG1 THR A 53 8.470 2.424 4.502 1.00 0.00 O ATOM 828 CG2 THR A 53 9.308 1.417 6.500 1.00 0.00 C ATOM 0 H THR A 53 6.772 0.678 4.466 1.00 0.00 H new ATOM 0 HA THR A 53 6.722 1.630 7.252 1.00 0.00 H new ATOM 0 HB THR A 53 8.318 3.312 6.381 1.00 0.00 H new ATOM 0 HG1 THR A 53 8.834 1.574 4.179 1.00 0.00 H new ATOM 0 HG21 THR A 53 10.296 1.801 6.247 1.00 0.00 H new ATOM 0 HG22 THR A 53 9.197 1.385 7.584 1.00 0.00 H new ATOM 0 HG23 THR A 53 9.194 0.412 6.094 1.00 0.00 H new ATOM 836 N ALA A 54 4.952 3.351 6.968 1.00 0.00 N ATOM 837 CA ALA A 54 4.032 4.518 6.989 1.00 0.00 C ATOM 838 C ALA A 54 4.700 5.707 7.749 1.00 0.00 C ATOM 839 O ALA A 54 4.317 6.071 8.867 1.00 0.00 O ATOM 840 CB ALA A 54 2.727 4.002 7.624 1.00 0.00 C ATOM 0 H ALA A 54 4.915 2.791 7.819 1.00 0.00 H new ATOM 0 HA ALA A 54 3.809 4.919 6.000 1.00 0.00 H new ATOM 0 HB1 ALA A 54 2.000 4.813 7.672 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.325 3.189 7.019 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.931 3.638 8.631 1.00 0.00 H new ATOM 846 N GLY A 55 5.734 6.299 7.118 1.00 0.00 N ATOM 847 CA GLY A 55 6.572 7.348 7.748 1.00 0.00 C ATOM 848 C GLY A 55 7.507 6.790 8.843 1.00 0.00 C ATOM 849 O GLY A 55 8.598 6.299 8.546 1.00 0.00 O ATOM 0 H GLY A 55 6.013 6.068 6.164 1.00 0.00 H new ATOM 0 HA2 GLY A 55 7.171 7.838 6.980 1.00 0.00 H new ATOM 0 HA3 GLY A 55 5.926 8.111 8.183 1.00 0.00 H new ATOM 853 N SER A 56 7.039 6.853 10.095 1.00 0.00 N ATOM 854 CA SER A 56 7.738 6.242 11.265 1.00 0.00 C ATOM 855 C SER A 56 7.246 4.793 11.622 1.00 0.00 C ATOM 856 O SER A 56 8.058 3.983 12.078 1.00 0.00 O ATOM 857 CB SER A 56 7.595 7.157 12.508 1.00 0.00 C ATOM 858 OG SER A 56 8.059 8.492 12.277 1.00 0.00 O ATOM 0 H SER A 56 6.168 7.324 10.340 1.00 0.00 H new ATOM 0 HA SER A 56 8.783 6.150 10.971 1.00 0.00 H new ATOM 0 HB2 SER A 56 6.548 7.189 12.810 1.00 0.00 H new ATOM 0 HB3 SER A 56 8.153 6.723 13.338 1.00 0.00 H new ATOM 0 HG SER A 56 7.814 9.060 13.037 1.00 0.00 H new ATOM 864 N LYS A 57 5.943 4.455 11.460 1.00 0.00 N ATOM 865 CA LYS A 57 5.397 3.122 11.837 1.00 0.00 C ATOM 866 C LYS A 57 5.646 2.010 10.763 1.00 0.00 C ATOM 867 O LYS A 57 5.347 2.174 9.576 1.00 0.00 O ATOM 868 CB LYS A 57 3.876 3.273 12.141 1.00 0.00 C ATOM 869 CG LYS A 57 3.249 2.039 12.846 1.00 0.00 C ATOM 870 CD LYS A 57 1.713 2.084 12.962 1.00 0.00 C ATOM 871 CE LYS A 57 1.171 0.819 13.657 1.00 0.00 C ATOM 872 NZ LYS A 57 -0.313 0.794 13.617 1.00 0.00 N ATOM 0 H LYS A 57 5.246 5.089 11.069 1.00 0.00 H new ATOM 0 HA LYS A 57 5.934 2.786 12.724 1.00 0.00 H new ATOM 0 HB2 LYS A 57 3.726 4.152 12.768 1.00 0.00 H new ATOM 0 HB3 LYS A 57 3.345 3.454 11.206 1.00 0.00 H new ATOM 0 HG2 LYS A 57 3.534 1.140 12.299 1.00 0.00 H new ATOM 0 HG3 LYS A 57 3.674 1.952 13.846 1.00 0.00 H new ATOM 0 HD2 LYS A 57 1.414 2.968 13.525 1.00 0.00 H new ATOM 0 HD3 LYS A 57 1.273 2.174 11.969 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.568 -0.070 13.167 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.513 0.792 14.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -0.656 -0.104 14.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -0.689 1.586 14.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -0.635 0.883 12.632 1.00 0.00 H new ATOM 886 N VAL A 58 6.127 0.843 11.225 1.00 0.00 N ATOM 887 CA VAL A 58 6.313 -0.363 10.366 1.00 0.00 C ATOM 888 C VAL A 58 5.003 -1.222 10.485 1.00 0.00 C ATOM 889 O VAL A 58 4.743 -1.845 11.520 1.00 0.00 O ATOM 890 CB VAL A 58 7.618 -1.135 10.766 1.00 0.00 C ATOM 891 CG1 VAL A 58 7.843 -2.392 9.898 1.00 0.00 C ATOM 892 CG2 VAL A 58 8.912 -0.290 10.660 1.00 0.00 C ATOM 0 H VAL A 58 6.400 0.699 12.197 1.00 0.00 H new ATOM 0 HA VAL A 58 6.459 -0.096 9.319 1.00 0.00 H new ATOM 0 HB VAL A 58 7.443 -1.398 11.809 1.00 0.00 H new ATOM 0 HG11 VAL A 58 8.759 -2.893 10.213 1.00 0.00 H new ATOM 0 HG12 VAL A 58 6.999 -3.072 10.016 1.00 0.00 H new ATOM 0 HG13 VAL A 58 7.930 -2.101 8.851 1.00 0.00 H new ATOM 0 HG21 VAL A 58 9.768 -0.897 10.954 1.00 0.00 H new ATOM 0 HG22 VAL A 58 9.043 0.048 9.632 1.00 0.00 H new ATOM 0 HG23 VAL A 58 8.837 0.575 11.319 1.00 0.00 H new ATOM 902 N ILE A 59 4.181 -1.236 9.424 1.00 0.00 N ATOM 903 CA ILE A 59 2.887 -1.980 9.383 1.00 0.00 C ATOM 904 C ILE A 59 3.145 -3.315 8.611 1.00 0.00 C ATOM 905 O ILE A 59 3.243 -3.328 7.378 1.00 0.00 O ATOM 906 CB ILE A 59 1.744 -1.098 8.752 1.00 0.00 C ATOM 907 CG1 ILE A 59 1.503 0.237 9.522 1.00 0.00 C ATOM 908 CG2 ILE A 59 0.402 -1.874 8.650 1.00 0.00 C ATOM 909 CD1 ILE A 59 0.583 1.252 8.824 1.00 0.00 C ATOM 0 H ILE A 59 4.385 -0.733 8.560 1.00 0.00 H new ATOM 0 HA ILE A 59 2.533 -2.216 10.386 1.00 0.00 H new ATOM 0 HB ILE A 59 2.098 -0.852 7.751 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.079 0.001 10.498 1.00 0.00 H new ATOM 0 HG13 ILE A 59 2.468 0.712 9.700 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -0.359 -1.229 8.210 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.538 -2.755 8.023 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.084 -2.183 9.646 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.485 2.142 9.446 1.00 0.00 H new ATOM 0 HD12 ILE A 59 1.011 1.528 7.860 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.400 0.807 8.670 1.00 0.00 H new ATOM 921 N GLN A 60 3.243 -4.435 9.346 1.00 0.00 N ATOM 922 CA GLN A 60 3.505 -5.774 8.756 1.00 0.00 C ATOM 923 C GLN A 60 2.270 -6.723 8.892 1.00 0.00 C ATOM 924 O GLN A 60 1.795 -7.042 9.985 1.00 0.00 O ATOM 925 CB GLN A 60 4.847 -6.355 9.276 1.00 0.00 C ATOM 926 CG GLN A 60 4.980 -6.773 10.762 1.00 0.00 C ATOM 927 CD GLN A 60 4.988 -5.623 11.780 1.00 0.00 C ATOM 928 OE1 GLN A 60 3.953 -5.142 12.226 1.00 0.00 O ATOM 929 NE2 GLN A 60 6.138 -5.114 12.152 1.00 0.00 N ATOM 0 H GLN A 60 3.145 -4.447 10.361 1.00 0.00 H new ATOM 0 HA GLN A 60 3.638 -5.668 7.679 1.00 0.00 H new ATOM 0 HB2 GLN A 60 5.079 -7.231 8.670 1.00 0.00 H new ATOM 0 HB3 GLN A 60 5.621 -5.614 9.076 1.00 0.00 H new ATOM 0 HG2 GLN A 60 4.157 -7.444 11.006 1.00 0.00 H new ATOM 0 HG3 GLN A 60 5.902 -7.343 10.879 1.00 0.00 H new ATOM 0 HE21 GLN A 60 7.009 -5.503 11.790 1.00 0.00 H new ATOM 0 HE22 GLN A 60 6.162 -4.329 12.803 1.00 0.00 H new ATOM 938 N ASN A 61 1.747 -7.135 7.734 1.00 0.00 N ATOM 939 CA ASN A 61 0.568 -8.043 7.601 1.00 0.00 C ATOM 940 C ASN A 61 0.734 -8.887 6.283 1.00 0.00 C ATOM 941 O ASN A 61 1.548 -8.559 5.411 1.00 0.00 O ATOM 942 CB ASN A 61 -0.769 -7.238 7.577 1.00 0.00 C ATOM 943 CG ASN A 61 -1.253 -6.611 8.888 1.00 0.00 C ATOM 944 OD1 ASN A 61 -1.923 -7.236 9.704 1.00 0.00 O ATOM 945 ND2 ASN A 61 -0.975 -5.350 9.118 1.00 0.00 N ATOM 0 H ASN A 61 2.129 -6.849 6.833 1.00 0.00 H new ATOM 0 HA ASN A 61 0.525 -8.707 8.464 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -0.665 -6.439 6.843 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -1.553 -7.903 7.215 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -1.315 -4.900 9.968 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -0.419 -4.820 8.447 1.00 0.00 H new ATOM 952 N GLU A 62 -0.034 -9.982 6.113 1.00 0.00 N ATOM 953 CA GLU A 62 0.029 -10.821 4.879 1.00 0.00 C ATOM 954 C GLU A 62 -1.346 -10.949 4.164 1.00 0.00 C ATOM 955 O GLU A 62 -2.361 -11.269 4.791 1.00 0.00 O ATOM 956 CB GLU A 62 0.743 -12.168 5.151 1.00 0.00 C ATOM 957 CG GLU A 62 0.017 -13.300 5.918 1.00 0.00 C ATOM 958 CD GLU A 62 0.892 -14.538 6.043 1.00 0.00 C ATOM 959 OE1 GLU A 62 1.105 -15.247 5.035 1.00 0.00 O ATOM 960 OE2 GLU A 62 1.459 -14.781 7.128 1.00 0.00 O ATOM 0 H GLU A 62 -0.705 -10.313 6.806 1.00 0.00 H new ATOM 0 HA GLU A 62 0.652 -10.298 4.153 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.043 -12.574 4.185 1.00 0.00 H new ATOM 0 HB3 GLU A 62 1.658 -11.943 5.699 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.261 -12.948 6.911 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -0.907 -13.557 5.401 1.00 0.00 H new ATOM 967 N PHE A 63 -1.369 -10.691 2.842 1.00 0.00 N ATOM 968 CA PHE A 63 -2.604 -10.804 2.022 1.00 0.00 C ATOM 969 C PHE A 63 -2.656 -12.101 1.171 1.00 0.00 C ATOM 970 O PHE A 63 -1.708 -12.476 0.475 1.00 0.00 O ATOM 971 CB PHE A 63 -2.925 -9.528 1.208 1.00 0.00 C ATOM 972 CG PHE A 63 -1.942 -9.076 0.116 1.00 0.00 C ATOM 973 CD1 PHE A 63 -0.901 -8.193 0.417 1.00 0.00 C ATOM 974 CD2 PHE A 63 -2.109 -9.518 -1.201 1.00 0.00 C ATOM 975 CE1 PHE A 63 -0.044 -7.753 -0.590 1.00 0.00 C ATOM 976 CE2 PHE A 63 -1.266 -9.057 -2.208 1.00 0.00 C ATOM 977 CZ PHE A 63 -0.235 -8.174 -1.899 1.00 0.00 C ATOM 0 H PHE A 63 -0.547 -10.402 2.312 1.00 0.00 H new ATOM 0 HA PHE A 63 -3.417 -10.894 2.743 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -3.897 -9.674 0.737 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -3.034 -8.705 1.915 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -0.761 -7.851 1.432 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -2.895 -10.220 -1.437 1.00 0.00 H new ATOM 0 HE1 PHE A 63 0.770 -7.084 -0.352 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -1.411 -9.384 -3.227 1.00 0.00 H new ATOM 0 HZ PHE A 63 0.419 -7.815 -2.680 1.00 0.00 H new ATOM 987 N THR A 64 -3.820 -12.754 1.214 1.00 0.00 N ATOM 988 CA THR A 64 -4.083 -14.012 0.478 1.00 0.00 C ATOM 989 C THR A 64 -4.843 -13.655 -0.838 1.00 0.00 C ATOM 990 O THR A 64 -5.966 -13.142 -0.811 1.00 0.00 O ATOM 991 CB THR A 64 -4.864 -15.003 1.397 1.00 0.00 C ATOM 992 OG1 THR A 64 -4.264 -15.116 2.684 1.00 0.00 O ATOM 993 CG2 THR A 64 -4.935 -16.429 0.836 1.00 0.00 C ATOM 0 H THR A 64 -4.617 -12.430 1.761 1.00 0.00 H new ATOM 0 HA THR A 64 -3.158 -14.518 0.201 1.00 0.00 H new ATOM 0 HB THR A 64 -5.865 -14.575 1.455 1.00 0.00 H new ATOM 0 HG1 THR A 64 -4.781 -15.743 3.232 1.00 0.00 H new ATOM 0 HG21 THR A 64 -5.492 -17.064 1.525 1.00 0.00 H new ATOM 0 HG22 THR A 64 -5.438 -16.415 -0.131 1.00 0.00 H new ATOM 0 HG23 THR A 64 -3.926 -16.823 0.714 1.00 0.00 H new ATOM 1001 N VAL A 65 -4.239 -13.929 -2.006 1.00 0.00 N ATOM 1002 CA VAL A 65 -4.873 -13.651 -3.334 1.00 0.00 C ATOM 1003 C VAL A 65 -5.970 -14.735 -3.599 1.00 0.00 C ATOM 1004 O VAL A 65 -5.670 -15.933 -3.665 1.00 0.00 O ATOM 1005 CB VAL A 65 -3.778 -13.573 -4.451 1.00 0.00 C ATOM 1006 CG1 VAL A 65 -4.299 -13.475 -5.906 1.00 0.00 C ATOM 1007 CG2 VAL A 65 -2.796 -12.391 -4.260 1.00 0.00 C ATOM 0 H VAL A 65 -3.310 -14.344 -2.072 1.00 0.00 H new ATOM 0 HA VAL A 65 -5.367 -12.679 -3.339 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.281 -14.535 -4.323 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -3.454 -13.427 -6.593 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -4.904 -14.352 -6.136 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -4.907 -12.577 -6.015 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -2.063 -12.393 -5.066 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -3.349 -11.452 -4.275 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -2.284 -12.495 -3.303 1.00 0.00 H new ATOM 1017 N GLY A 66 -7.241 -14.315 -3.711 1.00 0.00 N ATOM 1018 CA GLY A 66 -8.384 -15.263 -3.875 1.00 0.00 C ATOM 1019 C GLY A 66 -9.144 -15.758 -2.613 1.00 0.00 C ATOM 1020 O GLY A 66 -10.209 -16.347 -2.784 1.00 0.00 O ATOM 0 H GLY A 66 -7.514 -13.333 -3.693 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -9.113 -14.788 -4.532 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -8.009 -16.142 -4.398 1.00 0.00 H new ATOM 1024 N GLU A 67 -8.617 -15.564 -1.388 1.00 0.00 N ATOM 1025 CA GLU A 67 -9.342 -15.875 -0.115 1.00 0.00 C ATOM 1026 C GLU A 67 -9.172 -14.713 0.926 1.00 0.00 C ATOM 1027 O GLU A 67 -8.199 -13.955 0.885 1.00 0.00 O ATOM 1028 CB GLU A 67 -8.857 -17.239 0.462 1.00 0.00 C ATOM 1029 CG GLU A 67 -9.453 -18.505 -0.209 1.00 0.00 C ATOM 1030 CD GLU A 67 -10.926 -18.811 0.051 1.00 0.00 C ATOM 1031 OE1 GLU A 67 -11.628 -18.041 0.742 1.00 0.00 O ATOM 1032 OE2 GLU A 67 -11.379 -19.857 -0.456 1.00 0.00 O ATOM 0 H GLU A 67 -7.680 -15.189 -1.241 1.00 0.00 H new ATOM 0 HA GLU A 67 -10.407 -15.961 -0.331 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -7.771 -17.283 0.377 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -9.095 -17.268 1.525 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -9.313 -18.413 -1.286 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -8.868 -19.365 0.116 1.00 0.00 H new ATOM 1039 N GLU A 68 -10.122 -14.565 1.872 1.00 0.00 N ATOM 1040 CA GLU A 68 -10.131 -13.452 2.871 1.00 0.00 C ATOM 1041 C GLU A 68 -8.811 -13.171 3.679 1.00 0.00 C ATOM 1042 O GLU A 68 -8.181 -14.083 4.224 1.00 0.00 O ATOM 1043 CB GLU A 68 -11.367 -13.573 3.805 1.00 0.00 C ATOM 1044 CG GLU A 68 -11.409 -14.804 4.752 1.00 0.00 C ATOM 1045 CD GLU A 68 -11.894 -14.529 6.168 1.00 0.00 C ATOM 1046 OE1 GLU A 68 -13.048 -14.100 6.364 1.00 0.00 O ATOM 1047 OE2 GLU A 68 -11.099 -14.695 7.117 1.00 0.00 O ATOM 0 H GLU A 68 -10.908 -15.207 1.973 1.00 0.00 H new ATOM 0 HA GLU A 68 -10.200 -12.558 2.251 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -11.421 -12.672 4.416 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -12.262 -13.591 3.184 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -12.055 -15.560 4.307 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -10.408 -15.232 4.807 1.00 0.00 H new ATOM 1054 N CYS A 69 -8.407 -11.887 3.745 1.00 0.00 N ATOM 1055 CA CYS A 69 -7.179 -11.458 4.465 1.00 0.00 C ATOM 1056 C CYS A 69 -7.337 -10.070 5.149 1.00 0.00 C ATOM 1057 O CYS A 69 -7.633 -9.051 4.517 1.00 0.00 O ATOM 1058 CB CYS A 69 -5.964 -11.468 3.525 1.00 0.00 C ATOM 1059 SG CYS A 69 -6.318 -10.701 1.903 1.00 0.00 S ATOM 0 H CYS A 69 -8.915 -11.119 3.306 1.00 0.00 H new ATOM 0 HA CYS A 69 -7.013 -12.183 5.262 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -5.138 -10.938 4.000 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -5.637 -12.496 3.372 1.00 0.00 H new ATOM 0 HG CYS A 69 -7.008 -9.614 2.079 1.00 0.00 H new ATOM 1065 N GLU A 70 -7.085 -10.064 6.464 1.00 0.00 N ATOM 1066 CA GLU A 70 -7.196 -8.861 7.332 1.00 0.00 C ATOM 1067 C GLU A 70 -5.919 -7.958 7.332 1.00 0.00 C ATOM 1068 O GLU A 70 -4.837 -8.377 7.757 1.00 0.00 O ATOM 1069 CB GLU A 70 -7.694 -9.262 8.746 1.00 0.00 C ATOM 1070 CG GLU A 70 -6.872 -10.334 9.491 1.00 0.00 C ATOM 1071 CD GLU A 70 -7.317 -10.595 10.917 1.00 0.00 C ATOM 1072 OE1 GLU A 70 -8.453 -11.075 11.116 1.00 0.00 O ATOM 1073 OE2 GLU A 70 -6.520 -10.325 11.842 1.00 0.00 O ATOM 0 H GLU A 70 -6.794 -10.900 6.972 1.00 0.00 H new ATOM 0 HA GLU A 70 -7.954 -8.210 6.896 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -7.723 -8.365 9.364 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -8.720 -9.620 8.657 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -6.926 -11.268 8.931 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -5.826 -10.028 9.501 1.00 0.00 H new ATOM 1080 N LEU A 71 -6.065 -6.702 6.876 1.00 0.00 N ATOM 1081 CA LEU A 71 -4.947 -5.716 6.801 1.00 0.00 C ATOM 1082 C LEU A 71 -5.294 -4.415 7.595 1.00 0.00 C ATOM 1083 O LEU A 71 -6.417 -3.906 7.516 1.00 0.00 O ATOM 1084 CB LEU A 71 -4.650 -5.355 5.314 1.00 0.00 C ATOM 1085 CG LEU A 71 -4.277 -6.492 4.321 1.00 0.00 C ATOM 1086 CD1 LEU A 71 -4.010 -5.885 2.935 1.00 0.00 C ATOM 1087 CD2 LEU A 71 -3.056 -7.316 4.760 1.00 0.00 C ATOM 0 H LEU A 71 -6.956 -6.332 6.547 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.064 -6.172 7.249 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -5.529 -4.847 4.917 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.834 -4.632 5.308 1.00 0.00 H new ATOM 0 HG LEU A 71 -5.124 -7.178 4.295 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.748 -6.678 2.235 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -4.905 -5.372 2.584 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.187 -5.173 3.002 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.854 -8.090 4.020 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.188 -6.662 4.847 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.258 -7.780 5.725 1.00 0.00 H new ATOM 1099 N GLU A 72 -4.329 -3.845 8.342 1.00 0.00 N ATOM 1100 CA GLU A 72 -4.539 -2.565 9.086 1.00 0.00 C ATOM 1101 C GLU A 72 -4.713 -1.327 8.135 1.00 0.00 C ATOM 1102 O GLU A 72 -4.017 -1.152 7.131 1.00 0.00 O ATOM 1103 CB GLU A 72 -3.334 -2.385 10.052 1.00 0.00 C ATOM 1104 CG GLU A 72 -3.493 -1.241 11.089 1.00 0.00 C ATOM 1105 CD GLU A 72 -2.231 -0.895 11.853 1.00 0.00 C ATOM 1106 OE1 GLU A 72 -1.458 -0.026 11.390 1.00 0.00 O ATOM 1107 OE2 GLU A 72 -2.015 -1.419 12.965 1.00 0.00 O ATOM 0 H GLU A 72 -3.396 -4.241 8.453 1.00 0.00 H new ATOM 0 HA GLU A 72 -5.473 -2.621 9.645 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -3.173 -3.321 10.587 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -2.438 -2.198 9.461 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -3.844 -0.348 10.572 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -4.267 -1.522 11.803 1.00 0.00 H new ATOM 1114 N THR A 73 -5.679 -0.481 8.499 1.00 0.00 N ATOM 1115 CA THR A 73 -6.025 0.774 7.775 1.00 0.00 C ATOM 1116 C THR A 73 -5.585 2.043 8.575 1.00 0.00 C ATOM 1117 O THR A 73 -5.353 2.019 9.789 1.00 0.00 O ATOM 1118 CB THR A 73 -7.555 0.752 7.430 1.00 0.00 C ATOM 1119 OG1 THR A 73 -7.996 1.985 6.867 1.00 0.00 O ATOM 1120 CG2 THR A 73 -8.518 0.458 8.589 1.00 0.00 C ATOM 0 H THR A 73 -6.263 -0.640 9.320 1.00 0.00 H new ATOM 0 HA THR A 73 -5.469 0.828 6.839 1.00 0.00 H new ATOM 0 HB THR A 73 -7.602 -0.080 6.728 1.00 0.00 H new ATOM 0 HG1 THR A 73 -8.685 2.379 7.442 1.00 0.00 H new ATOM 0 HG21 THR A 73 -9.544 0.471 8.222 1.00 0.00 H new ATOM 0 HG22 THR A 73 -8.295 -0.523 9.008 1.00 0.00 H new ATOM 0 HG23 THR A 73 -8.400 1.217 9.362 1.00 0.00 H new ATOM 1128 N MET A 74 -5.505 3.176 7.859 1.00 0.00 N ATOM 1129 CA MET A 74 -5.272 4.514 8.492 1.00 0.00 C ATOM 1130 C MET A 74 -6.529 4.977 9.303 1.00 0.00 C ATOM 1131 O MET A 74 -6.429 5.188 10.514 1.00 0.00 O ATOM 1132 CB MET A 74 -4.804 5.553 7.436 1.00 0.00 C ATOM 1133 CG MET A 74 -3.331 5.443 7.009 1.00 0.00 C ATOM 1134 SD MET A 74 -2.259 5.743 8.430 1.00 0.00 S ATOM 1135 CE MET A 74 -1.524 4.114 8.637 1.00 0.00 C ATOM 0 H MET A 74 -5.596 3.208 6.844 1.00 0.00 H new ATOM 0 HA MET A 74 -4.460 4.426 9.214 1.00 0.00 H new ATOM 0 HB2 MET A 74 -5.430 5.452 6.549 1.00 0.00 H new ATOM 0 HB3 MET A 74 -4.975 6.553 7.835 1.00 0.00 H new ATOM 0 HG2 MET A 74 -3.135 4.453 6.597 1.00 0.00 H new ATOM 0 HG3 MET A 74 -3.116 6.165 6.221 1.00 0.00 H new ATOM 0 HE1 MET A 74 -0.833 4.131 9.480 1.00 0.00 H new ATOM 0 HE2 MET A 74 -2.309 3.382 8.827 1.00 0.00 H new ATOM 0 HE3 MET A 74 -0.984 3.841 7.730 1.00 0.00 H new ATOM 1145 N THR A 75 -7.698 5.110 8.648 1.00 0.00 N ATOM 1146 CA THR A 75 -8.993 5.342 9.345 1.00 0.00 C ATOM 1147 C THR A 75 -9.697 3.948 9.441 1.00 0.00 C ATOM 1148 O THR A 75 -9.950 3.283 8.424 1.00 0.00 O ATOM 1149 CB THR A 75 -9.872 6.393 8.610 1.00 0.00 C ATOM 1150 OG1 THR A 75 -9.155 7.611 8.436 1.00 0.00 O ATOM 1151 CG2 THR A 75 -11.163 6.773 9.356 1.00 0.00 C ATOM 0 H THR A 75 -7.780 5.062 7.632 1.00 0.00 H new ATOM 0 HA THR A 75 -8.829 5.761 10.338 1.00 0.00 H new ATOM 0 HB THR A 75 -10.131 5.912 7.667 1.00 0.00 H new ATOM 0 HG1 THR A 75 -9.767 8.369 8.541 1.00 0.00 H new ATOM 0 HG21 THR A 75 -11.716 7.510 8.774 1.00 0.00 H new ATOM 0 HG22 THR A 75 -11.779 5.884 9.494 1.00 0.00 H new ATOM 0 HG23 THR A 75 -10.910 7.194 10.329 1.00 0.00 H new ATOM 1159 N GLY A 76 -9.977 3.508 10.674 1.00 0.00 N ATOM 1160 CA GLY A 76 -10.687 2.229 10.934 1.00 0.00 C ATOM 1161 C GLY A 76 -10.104 1.323 12.034 1.00 0.00 C ATOM 1162 O GLY A 76 -10.144 1.681 13.213 1.00 0.00 O ATOM 0 H GLY A 76 -9.724 4.017 11.521 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -11.719 2.461 11.196 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -10.714 1.660 10.004 1.00 0.00 H new ATOM 1166 N GLU A 77 -9.624 0.128 11.644 1.00 0.00 N ATOM 1167 CA GLU A 77 -9.267 -0.967 12.584 1.00 0.00 C ATOM 1168 C GLU A 77 -8.412 -2.035 11.830 1.00 0.00 C ATOM 1169 O GLU A 77 -7.180 -2.032 11.897 1.00 0.00 O ATOM 1170 CB GLU A 77 -10.515 -1.490 13.378 1.00 0.00 C ATOM 1171 CG GLU A 77 -11.714 -2.166 12.651 1.00 0.00 C ATOM 1172 CD GLU A 77 -12.330 -1.474 11.437 1.00 0.00 C ATOM 1173 OE1 GLU A 77 -11.873 -1.719 10.296 1.00 0.00 O ATOM 1174 OE2 GLU A 77 -13.274 -0.673 11.589 1.00 0.00 O ATOM 0 H GLU A 77 -9.470 -0.113 10.665 1.00 0.00 H new ATOM 0 HA GLU A 77 -8.625 -0.598 13.384 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -10.146 -2.205 14.114 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -10.917 -0.642 13.932 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -11.390 -3.158 12.335 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -12.506 -2.308 13.386 1.00 0.00 H new ATOM 1181 N LYS A 78 -9.079 -2.930 11.087 1.00 0.00 N ATOM 1182 CA LYS A 78 -8.453 -4.015 10.301 1.00 0.00 C ATOM 1183 C LYS A 78 -9.489 -4.499 9.243 1.00 0.00 C ATOM 1184 O LYS A 78 -10.531 -5.072 9.579 1.00 0.00 O ATOM 1185 CB LYS A 78 -7.955 -5.159 11.234 1.00 0.00 C ATOM 1186 CG LYS A 78 -6.625 -5.758 10.752 1.00 0.00 C ATOM 1187 CD LYS A 78 -6.132 -6.903 11.655 1.00 0.00 C ATOM 1188 CE LYS A 78 -4.778 -7.470 11.194 1.00 0.00 C ATOM 1189 NZ LYS A 78 -4.488 -8.710 11.958 1.00 0.00 N ATOM 0 H LYS A 78 -10.096 -2.923 11.011 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.566 -3.656 9.780 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -7.833 -4.774 12.246 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -8.710 -5.944 11.280 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -6.745 -6.129 9.734 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -5.868 -4.974 10.719 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -6.042 -6.542 12.679 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -6.874 -7.702 11.663 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -4.803 -7.683 10.125 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -3.988 -6.736 11.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -3.859 -9.322 11.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -4.024 -8.464 12.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -5.377 -9.213 12.154 1.00 0.00 H new ATOM 1203 N VAL A 79 -9.198 -4.254 7.960 1.00 0.00 N ATOM 1204 CA VAL A 79 -10.131 -4.546 6.840 1.00 0.00 C ATOM 1205 C VAL A 79 -9.850 -5.919 6.153 1.00 0.00 C ATOM 1206 O VAL A 79 -8.715 -6.198 5.748 1.00 0.00 O ATOM 1207 CB VAL A 79 -10.106 -3.320 5.864 1.00 0.00 C ATOM 1208 CG1 VAL A 79 -8.810 -3.095 5.055 1.00 0.00 C ATOM 1209 CG2 VAL A 79 -11.291 -3.321 4.883 1.00 0.00 C ATOM 0 H VAL A 79 -8.312 -3.848 7.658 1.00 0.00 H new ATOM 0 HA VAL A 79 -11.145 -4.668 7.221 1.00 0.00 H new ATOM 0 HB VAL A 79 -10.175 -2.489 6.566 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -8.925 -2.216 4.420 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -7.976 -2.941 5.740 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -8.613 -3.968 4.433 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -11.224 -2.450 4.231 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -11.264 -4.229 4.280 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -12.226 -3.285 5.442 1.00 0.00 H new ATOM 1219 N LYS A 80 -10.892 -6.761 5.989 1.00 0.00 N ATOM 1220 CA LYS A 80 -10.772 -8.038 5.225 1.00 0.00 C ATOM 1221 C LYS A 80 -10.948 -7.743 3.699 1.00 0.00 C ATOM 1222 O LYS A 80 -12.051 -7.746 3.147 1.00 0.00 O ATOM 1223 CB LYS A 80 -11.698 -9.141 5.804 1.00 0.00 C ATOM 1224 CG LYS A 80 -11.139 -9.762 7.109 1.00 0.00 C ATOM 1225 CD LYS A 80 -11.863 -11.040 7.565 1.00 0.00 C ATOM 1226 CE LYS A 80 -11.186 -11.684 8.794 1.00 0.00 C ATOM 1227 NZ LYS A 80 -11.768 -13.033 9.014 1.00 0.00 N ATOM 0 H LYS A 80 -11.823 -6.589 6.369 1.00 0.00 H new ATOM 0 HA LYS A 80 -9.773 -8.460 5.340 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -12.683 -8.718 6.000 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -11.831 -9.926 5.060 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -10.083 -9.989 6.966 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -11.200 -9.020 7.905 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -12.899 -10.803 7.805 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -11.882 -11.758 6.745 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -10.110 -11.759 8.635 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -11.335 -11.061 9.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -11.693 -13.284 10.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -12.769 -13.029 8.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -11.250 -13.732 8.444 1.00 0.00 H new ATOM 1241 N THR A 81 -9.809 -7.457 3.052 1.00 0.00 N ATOM 1242 CA THR A 81 -9.723 -7.002 1.638 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 0.826 1.00 0.00 O ATOM 1245 CB THR A 81 -9.010 -5.606 1.640 1.00 0.00 C ATOM 1246 OG1 THR A 81 -9.026 -5.003 0.354 1.00 0.00 O ATOM 1247 CG2 THR A 81 -7.551 -5.576 2.136 1.00 0.00 C ATOM 0 H THR A 81 -8.895 -7.534 3.499 1.00 0.00 H new ATOM 0 HA THR A 81 -10.701 -6.867 1.177 1.00 0.00 H new ATOM 0 HB THR A 81 -9.606 -5.052 2.365 1.00 0.00 H new ATOM 0 HG1 THR A 81 -8.614 -5.609 -0.297 1.00 0.00 H new ATOM 0 HG21 THR A 81 -7.172 -4.555 2.089 1.00 0.00 H new ATOM 0 HG22 THR A 81 -7.509 -5.931 3.166 1.00 0.00 H new ATOM 0 HG23 THR A 81 -6.939 -6.220 1.505 1.00 0.00 H new ATOM 1255 N VAL A 82 -9.784 -8.865 -0.024 1.00 0.00 N ATOM 1256 CA VAL A 82 -9.177 -9.903 -0.917 1.00 0.00 C ATOM 1257 C VAL A 82 -8.615 -9.244 -2.218 1.00 0.00 C ATOM 1258 O VAL A 82 -9.224 -8.343 -2.809 1.00 0.00 O ATOM 1259 CB VAL A 82 -10.069 -11.166 -1.133 1.00 0.00 C ATOM 1260 CG1 VAL A 82 -11.262 -11.050 -2.093 1.00 0.00 C ATOM 1261 CG2 VAL A 82 -9.243 -12.334 -1.686 1.00 0.00 C ATOM 0 H VAL A 82 -10.800 -8.800 -0.080 1.00 0.00 H new ATOM 0 HA VAL A 82 -8.319 -10.328 -0.396 1.00 0.00 H new ATOM 0 HB VAL A 82 -10.464 -11.312 -0.128 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -11.785 -12.005 -2.140 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -11.944 -10.280 -1.734 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -10.904 -10.783 -3.087 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -9.888 -13.201 -1.827 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -8.804 -12.049 -2.642 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -8.449 -12.583 -0.982 1.00 0.00 H new ATOM 1271 N VAL A 83 -7.421 -9.683 -2.628 1.00 0.00 N ATOM 1272 CA VAL A 83 -6.686 -9.082 -3.772 1.00 0.00 C ATOM 1273 C VAL A 83 -6.742 -10.046 -5.004 1.00 0.00 C ATOM 1274 O VAL A 83 -6.503 -11.250 -4.875 1.00 0.00 O ATOM 1275 CB VAL A 83 -5.229 -8.696 -3.323 1.00 0.00 C ATOM 1276 CG1 VAL A 83 -4.550 -7.778 -4.356 1.00 0.00 C ATOM 1277 CG2 VAL A 83 -5.087 -7.981 -1.949 1.00 0.00 C ATOM 0 H VAL A 83 -6.929 -10.460 -2.187 1.00 0.00 H new ATOM 0 HA VAL A 83 -7.160 -8.155 -4.093 1.00 0.00 H new ATOM 0 HB VAL A 83 -4.754 -9.673 -3.235 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -3.545 -7.529 -4.016 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -4.492 -8.291 -5.316 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -5.132 -6.863 -4.468 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -4.035 -7.769 -1.756 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -5.648 -7.047 -1.965 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -5.478 -8.625 -1.161 1.00 0.00 H new ATOM 1287 N GLN A 84 -7.075 -9.520 -6.195 1.00 0.00 N ATOM 1288 CA GLN A 84 -7.092 -10.307 -7.465 1.00 0.00 C ATOM 1289 C GLN A 84 -5.862 -9.910 -8.340 1.00 0.00 C ATOM 1290 O GLN A 84 -5.531 -8.729 -8.487 1.00 0.00 O ATOM 1291 CB GLN A 84 -8.429 -10.093 -8.227 1.00 0.00 C ATOM 1292 CG GLN A 84 -9.633 -10.979 -7.808 1.00 0.00 C ATOM 1293 CD GLN A 84 -10.131 -10.846 -6.363 1.00 0.00 C ATOM 1294 OE1 GLN A 84 -10.744 -9.862 -5.965 1.00 0.00 O ATOM 1295 NE2 GLN A 84 -9.897 -11.837 -5.536 1.00 0.00 N ATOM 0 H GLN A 84 -7.341 -8.543 -6.317 1.00 0.00 H new ATOM 0 HA GLN A 84 -7.021 -11.370 -7.232 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -8.721 -9.049 -8.111 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -8.243 -10.256 -9.289 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -10.466 -10.755 -8.474 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -9.361 -12.021 -7.977 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -9.388 -12.660 -5.858 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -10.224 -11.784 -4.571 1.00 0.00 H new ATOM 1304 N LEU A 85 -5.206 -10.917 -8.936 1.00 0.00 N ATOM 1305 CA LEU A 85 -3.962 -10.736 -9.724 1.00 0.00 C ATOM 1306 C LEU A 85 -4.157 -10.987 -11.255 1.00 0.00 C ATOM 1307 O LEU A 85 -4.623 -12.055 -11.664 1.00 0.00 O ATOM 1308 CB LEU A 85 -2.924 -11.711 -9.089 1.00 0.00 C ATOM 1309 CG LEU A 85 -1.517 -11.755 -9.733 1.00 0.00 C ATOM 1310 CD1 LEU A 85 -0.799 -10.394 -9.721 1.00 0.00 C ATOM 1311 CD2 LEU A 85 -0.639 -12.809 -9.038 1.00 0.00 C ATOM 0 H LEU A 85 -5.519 -11.887 -8.889 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.623 -9.701 -9.678 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -2.808 -11.445 -8.038 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.342 -12.717 -9.119 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.670 -12.026 -10.777 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.181 -10.496 -10.187 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -1.391 -9.666 -10.275 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.678 -10.055 -8.692 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.346 -12.826 -9.504 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -0.537 -12.559 -7.982 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -1.103 -13.790 -9.135 1.00 0.00 H new ATOM 1323 N GLU A 86 -3.735 -10.016 -12.085 1.00 0.00 N ATOM 1324 CA GLU A 86 -3.698 -10.163 -13.568 1.00 0.00 C ATOM 1325 C GLU A 86 -2.204 -10.157 -14.051 1.00 0.00 C ATOM 1326 O GLU A 86 -1.407 -9.269 -13.715 1.00 0.00 O ATOM 1327 CB GLU A 86 -4.526 -9.034 -14.230 1.00 0.00 C ATOM 1328 CG GLU A 86 -4.778 -9.168 -15.755 1.00 0.00 C ATOM 1329 CD GLU A 86 -5.363 -7.914 -16.391 1.00 0.00 C ATOM 1330 OE1 GLU A 86 -6.590 -7.709 -16.297 1.00 0.00 O ATOM 1331 OE2 GLU A 86 -4.595 -7.132 -16.993 1.00 0.00 O ATOM 0 H GLU A 86 -3.409 -9.107 -11.757 1.00 0.00 H new ATOM 0 HA GLU A 86 -4.145 -11.112 -13.864 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -5.492 -8.979 -13.728 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -4.018 -8.087 -14.049 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -3.838 -9.411 -16.250 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -5.456 -10.004 -15.930 1.00 0.00 H new ATOM 1338 N GLY A 87 -1.844 -11.189 -14.832 1.00 0.00 N ATOM 1339 CA GLY A 87 -0.489 -11.335 -15.458 1.00 0.00 C ATOM 1340 C GLY A 87 0.818 -11.292 -14.633 1.00 0.00 C ATOM 1341 O GLY A 87 1.863 -10.913 -15.163 1.00 0.00 O ATOM 0 H GLY A 87 -2.477 -11.957 -15.057 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -0.492 -12.288 -15.988 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -0.408 -10.551 -16.211 1.00 0.00 H new ATOM 1345 N ASP A 88 0.745 -11.679 -13.357 1.00 0.00 N ATOM 1346 CA ASP A 88 1.863 -11.535 -12.366 1.00 0.00 C ATOM 1347 C ASP A 88 2.397 -10.063 -12.122 1.00 0.00 C ATOM 1348 O ASP A 88 3.528 -9.860 -11.672 1.00 0.00 O ATOM 1349 CB ASP A 88 2.945 -12.637 -12.572 1.00 0.00 C ATOM 1350 CG ASP A 88 3.826 -12.946 -11.352 1.00 0.00 C ATOM 1351 OD1 ASP A 88 3.302 -13.019 -10.217 1.00 0.00 O ATOM 1352 OD2 ASP A 88 5.048 -13.138 -11.527 1.00 0.00 O ATOM 0 H ASP A 88 -0.091 -12.107 -12.959 1.00 0.00 H new ATOM 0 HA ASP A 88 1.424 -11.728 -11.387 1.00 0.00 H new ATOM 0 HB2 ASP A 88 2.446 -13.556 -12.878 1.00 0.00 H new ATOM 0 HB3 ASP A 88 3.591 -12.335 -13.396 1.00 0.00 H new ATOM 1357 N ASN A 89 1.563 -9.025 -12.360 1.00 0.00 N ATOM 1358 CA ASN A 89 1.948 -7.599 -12.156 1.00 0.00 C ATOM 1359 C ASN A 89 0.825 -6.635 -11.648 1.00 0.00 C ATOM 1360 O ASN A 89 1.172 -5.648 -10.998 1.00 0.00 O ATOM 1361 CB ASN A 89 2.732 -7.048 -13.380 1.00 0.00 C ATOM 1362 CG ASN A 89 1.944 -6.509 -14.585 1.00 0.00 C ATOM 1363 OD1 ASN A 89 0.984 -7.095 -15.073 1.00 0.00 O ATOM 1364 ND2 ASN A 89 2.321 -5.359 -15.093 1.00 0.00 N ATOM 0 H ASN A 89 0.608 -9.145 -12.697 1.00 0.00 H new ATOM 0 HA ASN A 89 2.622 -7.619 -11.299 1.00 0.00 H new ATOM 0 HB2 ASN A 89 3.379 -6.246 -13.024 1.00 0.00 H new ATOM 0 HB3 ASN A 89 3.382 -7.845 -13.741 1.00 0.00 H new ATOM 0 HD21 ASN A 89 1.817 -4.962 -15.886 1.00 0.00 H new ATOM 0 HD22 ASN A 89 3.118 -4.863 -14.695 1.00 0.00 H new ATOM 1371 N LYS A 90 -0.471 -6.861 -11.936 1.00 0.00 N ATOM 1372 CA LYS A 90 -1.573 -5.948 -11.511 1.00 0.00 C ATOM 1373 C LYS A 90 -2.394 -6.574 -10.339 1.00 0.00 C ATOM 1374 O LYS A 90 -3.129 -7.546 -10.536 1.00 0.00 O ATOM 1375 CB LYS A 90 -2.506 -5.691 -12.724 1.00 0.00 C ATOM 1376 CG LYS A 90 -1.920 -4.941 -13.944 1.00 0.00 C ATOM 1377 CD LYS A 90 -2.814 -5.132 -15.188 1.00 0.00 C ATOM 1378 CE LYS A 90 -2.252 -4.580 -16.509 1.00 0.00 C ATOM 1379 NZ LYS A 90 -2.315 -3.093 -16.556 1.00 0.00 N ATOM 0 H LYS A 90 -0.792 -7.672 -12.465 1.00 0.00 H new ATOM 0 HA LYS A 90 -1.142 -5.010 -11.161 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -2.876 -6.656 -13.071 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -3.369 -5.128 -12.368 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -1.831 -3.879 -13.715 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -0.915 -5.308 -14.153 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -3.006 -6.198 -15.314 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -3.776 -4.656 -14.997 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -1.218 -4.904 -16.628 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -2.815 -4.995 -17.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -2.240 -2.773 -17.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -3.219 -2.771 -16.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -1.530 -2.695 -16.003 1.00 0.00 H new ATOM 1393 N LEU A 91 -2.290 -5.999 -9.132 1.00 0.00 N ATOM 1394 CA LEU A 91 -3.048 -6.459 -7.933 1.00 0.00 C ATOM 1395 C LEU A 91 -4.214 -5.468 -7.619 1.00 0.00 C ATOM 1396 O LEU A 91 -3.971 -4.297 -7.309 1.00 0.00 O ATOM 1397 CB LEU A 91 -2.072 -6.544 -6.731 1.00 0.00 C ATOM 1398 CG LEU A 91 -1.103 -7.748 -6.665 1.00 0.00 C ATOM 1399 CD1 LEU A 91 -0.073 -7.483 -5.559 1.00 0.00 C ATOM 1400 CD2 LEU A 91 -1.802 -9.089 -6.376 1.00 0.00 C ATOM 0 H LEU A 91 -1.681 -5.202 -8.947 1.00 0.00 H new ATOM 0 HA LEU A 91 -3.481 -7.441 -8.123 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -1.474 -5.633 -6.722 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -2.667 -6.544 -5.818 1.00 0.00 H new ATOM 0 HG LEU A 91 -0.639 -7.839 -7.647 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.619 -8.323 -5.498 1.00 0.00 H new ATOM 0 HD12 LEU A 91 0.480 -6.572 -5.788 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.586 -7.366 -4.604 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -1.060 -9.887 -6.344 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -2.315 -9.032 -5.416 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -2.527 -9.299 -7.163 1.00 0.00 H new ATOM 1412 N VAL A 92 -5.474 -5.934 -7.662 1.00 0.00 N ATOM 1413 CA VAL A 92 -6.674 -5.064 -7.438 1.00 0.00 C ATOM 1414 C VAL A 92 -7.493 -5.509 -6.178 1.00 0.00 C ATOM 1415 O VAL A 92 -7.843 -6.688 -6.050 1.00 0.00 O ATOM 1416 CB VAL A 92 -7.557 -4.946 -8.733 1.00 0.00 C ATOM 1417 CG1 VAL A 92 -6.814 -4.291 -9.921 1.00 0.00 C ATOM 1418 CG2 VAL A 92 -8.212 -6.254 -9.236 1.00 0.00 C ATOM 0 H VAL A 92 -5.703 -6.910 -7.850 1.00 0.00 H new ATOM 0 HA VAL A 92 -6.312 -4.059 -7.222 1.00 0.00 H new ATOM 0 HB VAL A 92 -8.362 -4.299 -8.383 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -7.479 -4.240 -10.783 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -6.501 -3.284 -9.644 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -5.937 -4.887 -10.175 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -8.795 -6.047 -10.133 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -7.436 -6.984 -9.468 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -8.867 -6.654 -8.462 1.00 0.00 H new ATOM 1428 N THR A 93 -7.824 -4.577 -5.254 1.00 0.00 N ATOM 1429 CA THR A 93 -8.647 -4.896 -4.040 1.00 0.00 C ATOM 1430 C THR A 93 -9.678 -3.772 -3.669 1.00 0.00 C ATOM 1431 O THR A 93 -9.673 -2.655 -4.204 1.00 0.00 O ATOM 1432 CB THR A 93 -7.747 -5.378 -2.854 1.00 0.00 C ATOM 1433 OG1 THR A 93 -8.531 -6.101 -1.909 1.00 0.00 O ATOM 1434 CG2 THR A 93 -6.961 -4.311 -2.069 1.00 0.00 C ATOM 0 H THR A 93 -7.540 -3.599 -5.316 1.00 0.00 H new ATOM 0 HA THR A 93 -9.284 -5.743 -4.293 1.00 0.00 H new ATOM 0 HB THR A 93 -6.995 -5.982 -3.362 1.00 0.00 H new ATOM 0 HG1 THR A 93 -9.056 -6.785 -2.375 1.00 0.00 H new ATOM 0 HG21 THR A 93 -6.384 -4.792 -1.279 1.00 0.00 H new ATOM 0 HG22 THR A 93 -6.285 -3.787 -2.745 1.00 0.00 H new ATOM 0 HG23 THR A 93 -7.657 -3.598 -1.627 1.00 0.00 H new ATOM 1442 N THR A 94 -10.623 -4.125 -2.783 1.00 0.00 N ATOM 1443 CA THR A 94 -11.667 -3.200 -2.248 1.00 0.00 C ATOM 1444 C THR A 94 -11.371 -3.019 -0.724 1.00 0.00 C ATOM 1445 O THR A 94 -11.673 -3.901 0.086 1.00 0.00 O ATOM 1446 CB THR A 94 -13.094 -3.773 -2.523 1.00 0.00 C ATOM 1447 OG1 THR A 94 -13.310 -4.025 -3.909 1.00 0.00 O ATOM 1448 CG2 THR A 94 -14.237 -2.838 -2.094 1.00 0.00 C ATOM 0 H THR A 94 -10.695 -5.070 -2.406 1.00 0.00 H new ATOM 0 HA THR A 94 -11.639 -2.228 -2.740 1.00 0.00 H new ATOM 0 HB THR A 94 -13.115 -4.687 -1.930 1.00 0.00 H new ATOM 0 HG1 THR A 94 -13.908 -3.341 -4.277 1.00 0.00 H new ATOM 0 HG21 THR A 94 -15.195 -3.308 -2.318 1.00 0.00 H new ATOM 0 HG22 THR A 94 -14.168 -2.647 -1.023 1.00 0.00 H new ATOM 0 HG23 THR A 94 -14.159 -1.896 -2.636 1.00 0.00 H new ATOM 1456 N PHE A 95 -10.782 -1.874 -0.342 1.00 0.00 N ATOM 1457 CA PHE A 95 -10.345 -1.605 1.060 1.00 0.00 C ATOM 1458 C PHE A 95 -11.518 -0.975 1.909 1.00 0.00 C ATOM 1459 O PHE A 95 -12.648 -1.470 1.859 1.00 0.00 O ATOM 1460 CB PHE A 95 -9.035 -0.769 0.863 1.00 0.00 C ATOM 1461 CG PHE A 95 -7.978 -0.834 1.967 1.00 0.00 C ATOM 1462 CD1 PHE A 95 -7.084 -1.906 1.977 1.00 0.00 C ATOM 1463 CD2 PHE A 95 -7.835 0.186 2.914 1.00 0.00 C ATOM 1464 CE1 PHE A 95 -6.110 -2.002 2.967 1.00 0.00 C ATOM 1465 CE2 PHE A 95 -6.846 0.099 3.891 1.00 0.00 C ATOM 1466 CZ PHE A 95 -5.996 -1.003 3.930 1.00 0.00 C ATOM 0 H PHE A 95 -10.591 -1.105 -0.984 1.00 0.00 H new ATOM 0 HA PHE A 95 -10.114 -2.477 1.671 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -8.568 -1.091 -0.068 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -9.320 0.275 0.732 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -7.148 -2.666 1.212 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -8.493 1.042 2.887 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -5.443 -2.851 2.988 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -6.738 0.888 4.620 1.00 0.00 H new ATOM 0 HZ PHE A 95 -5.249 -1.083 4.706 1.00 0.00 H new ATOM 1476 N LYS A 96 -11.295 0.095 2.705 1.00 0.00 N ATOM 1477 CA LYS A 96 -12.388 0.809 3.443 1.00 0.00 C ATOM 1478 C LYS A 96 -13.043 1.849 2.467 1.00 0.00 C ATOM 1479 O LYS A 96 -12.716 3.039 2.492 1.00 0.00 O ATOM 1480 CB LYS A 96 -11.817 1.502 4.717 1.00 0.00 C ATOM 1481 CG LYS A 96 -11.184 0.627 5.826 1.00 0.00 C ATOM 1482 CD LYS A 96 -12.138 -0.178 6.740 1.00 0.00 C ATOM 1483 CE LYS A 96 -12.945 0.661 7.750 1.00 0.00 C ATOM 1484 NZ LYS A 96 -13.530 -0.238 8.785 1.00 0.00 N ATOM 0 H LYS A 96 -10.368 0.492 2.860 1.00 0.00 H new ATOM 0 HA LYS A 96 -13.148 0.102 3.775 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -11.063 2.218 4.392 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -12.626 2.075 5.171 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -10.503 -0.078 5.349 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -10.580 1.275 6.460 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -12.836 -0.731 6.112 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -11.552 -0.915 7.290 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -12.300 1.404 8.220 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -13.737 1.206 7.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -13.713 0.305 9.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -14.423 -0.638 8.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -12.863 -1.009 8.992 1.00 0.00 H new ATOM 1498 N ASN A 97 -13.934 1.386 1.562 1.00 0.00 N ATOM 1499 CA ASN A 97 -14.515 2.213 0.459 1.00 0.00 C ATOM 1500 C ASN A 97 -13.473 2.880 -0.529 1.00 0.00 C ATOM 1501 O ASN A 97 -13.701 3.965 -1.067 1.00 0.00 O ATOM 1502 CB ASN A 97 -15.597 3.174 1.025 1.00 0.00 C ATOM 1503 CG ASN A 97 -16.788 2.534 1.754 1.00 0.00 C ATOM 1504 OD1 ASN A 97 -16.751 2.268 2.950 1.00 0.00 O ATOM 1505 ND2 ASN A 97 -17.875 2.260 1.073 1.00 0.00 N ATOM 0 H ASN A 97 -14.277 0.426 1.569 1.00 0.00 H new ATOM 0 HA ASN A 97 -15.013 1.521 -0.220 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -15.110 3.864 1.714 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -15.986 3.770 0.199 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -18.675 1.831 1.539 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -17.921 2.476 0.077 1.00 0.00 H new ATOM 1512 N ILE A 98 -12.345 2.190 -0.790 1.00 0.00 N ATOM 1513 CA ILE A 98 -11.214 2.688 -1.629 1.00 0.00 C ATOM 1514 C ILE A 98 -10.839 1.527 -2.610 1.00 0.00 C ATOM 1515 O ILE A 98 -10.598 0.388 -2.181 1.00 0.00 O ATOM 1516 CB ILE A 98 -9.980 3.083 -0.727 1.00 0.00 C ATOM 1517 CG1 ILE A 98 -10.242 4.159 0.375 1.00 0.00 C ATOM 1518 CG2 ILE A 98 -8.738 3.531 -1.542 1.00 0.00 C ATOM 1519 CD1 ILE A 98 -9.526 3.872 1.707 1.00 0.00 C ATOM 0 H ILE A 98 -12.182 1.253 -0.421 1.00 0.00 H new ATOM 0 HA ILE A 98 -11.501 3.584 -2.179 1.00 0.00 H new ATOM 0 HB ILE A 98 -9.787 2.138 -0.219 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -9.921 5.132 0.003 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -11.315 4.225 0.557 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -7.928 3.788 -0.859 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -8.419 2.719 -2.195 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -8.994 4.402 -2.145 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -9.756 4.662 2.421 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -9.865 2.915 2.103 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -8.449 3.835 1.541 1.00 0.00 H new ATOM 1531 N LYS A 99 -10.739 1.811 -3.921 1.00 0.00 N ATOM 1532 CA LYS A 99 -10.277 0.800 -4.912 1.00 0.00 C ATOM 1533 C LYS A 99 -8.721 0.908 -5.059 1.00 0.00 C ATOM 1534 O LYS A 99 -8.199 1.819 -5.716 1.00 0.00 O ATOM 1535 CB LYS A 99 -11.080 0.969 -6.228 1.00 0.00 C ATOM 1536 CG LYS A 99 -10.839 -0.144 -7.286 1.00 0.00 C ATOM 1537 CD LYS A 99 -12.082 -0.987 -7.659 1.00 0.00 C ATOM 1538 CE LYS A 99 -12.747 -1.800 -6.526 1.00 0.00 C ATOM 1539 NZ LYS A 99 -11.887 -2.916 -6.051 1.00 0.00 N ATOM 0 H LYS A 99 -10.967 2.720 -4.324 1.00 0.00 H new ATOM 0 HA LYS A 99 -10.474 -0.220 -4.582 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -12.143 0.998 -5.987 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -10.827 1.932 -6.671 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -10.450 0.319 -8.193 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -10.065 -0.815 -6.913 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -12.832 -0.317 -8.079 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -11.796 -1.680 -8.450 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -12.972 -1.137 -5.691 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -13.697 -2.201 -6.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -12.420 -3.503 -5.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -11.595 -3.498 -6.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -11.044 -2.529 -5.581 1.00 0.00 H new ATOM 1553 N SER A 100 -7.997 -0.024 -4.410 1.00 0.00 N ATOM 1554 CA SER A 100 -6.511 -0.049 -4.411 1.00 0.00 C ATOM 1555 C SER A 100 -5.955 -0.901 -5.588 1.00 0.00 C ATOM 1556 O SER A 100 -6.214 -2.106 -5.676 1.00 0.00 O ATOM 1557 CB SER A 100 -6.042 -0.559 -3.031 1.00 0.00 C ATOM 1558 OG SER A 100 -4.622 -0.467 -2.897 1.00 0.00 O ATOM 0 H SER A 100 -8.418 -0.780 -3.871 1.00 0.00 H new ATOM 0 HA SER A 100 -6.116 0.954 -4.572 1.00 0.00 H new ATOM 0 HB2 SER A 100 -6.522 0.023 -2.244 1.00 0.00 H new ATOM 0 HB3 SER A 100 -6.355 -1.594 -2.898 1.00 0.00 H new ATOM 0 HG SER A 100 -4.355 -0.795 -2.013 1.00 0.00 H new ATOM 1564 N VAL A 101 -5.188 -0.253 -6.476 1.00 0.00 N ATOM 1565 CA VAL A 101 -4.606 -0.890 -7.692 1.00 0.00 C ATOM 1566 C VAL A 101 -3.049 -0.832 -7.561 1.00 0.00 C ATOM 1567 O VAL A 101 -2.454 0.243 -7.692 1.00 0.00 O ATOM 1568 CB VAL A 101 -5.141 -0.156 -8.977 1.00 0.00 C ATOM 1569 CG1 VAL A 101 -4.507 -0.677 -10.288 1.00 0.00 C ATOM 1570 CG2 VAL A 101 -6.680 -0.208 -9.151 1.00 0.00 C ATOM 0 H VAL A 101 -4.946 0.733 -6.381 1.00 0.00 H new ATOM 0 HA VAL A 101 -4.904 -1.934 -7.785 1.00 0.00 H new ATOM 0 HB VAL A 101 -4.841 0.877 -8.800 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -4.920 -0.129 -11.135 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -3.427 -0.532 -10.253 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -4.727 -1.739 -10.402 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -6.961 0.322 -10.061 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -7.003 -1.247 -9.221 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -7.159 0.264 -8.293 1.00 0.00 H new ATOM 1580 N THR A 102 -2.381 -1.975 -7.326 1.00 0.00 N ATOM 1581 CA THR A 102 -0.891 -2.033 -7.228 1.00 0.00 C ATOM 1582 C THR A 102 -0.304 -2.607 -8.560 1.00 0.00 C ATOM 1583 O THR A 102 -0.526 -3.790 -8.845 1.00 0.00 O ATOM 1584 CB THR A 102 -0.392 -2.829 -5.979 1.00 0.00 C ATOM 1585 OG1 THR A 102 -1.186 -2.612 -4.814 1.00 0.00 O ATOM 1586 CG2 THR A 102 1.063 -2.508 -5.610 1.00 0.00 C ATOM 0 H THR A 102 -2.839 -2.877 -7.199 1.00 0.00 H new ATOM 0 HA THR A 102 -0.524 -1.017 -7.085 1.00 0.00 H new ATOM 0 HB THR A 102 -0.478 -3.871 -6.288 1.00 0.00 H new ATOM 0 HG1 THR A 102 -1.188 -1.657 -4.593 1.00 0.00 H new ATOM 0 HG21 THR A 102 1.354 -3.090 -4.736 1.00 0.00 H new ATOM 0 HG22 THR A 102 1.715 -2.760 -6.447 1.00 0.00 H new ATOM 0 HG23 THR A 102 1.155 -1.445 -5.385 1.00 0.00 H new ATOM 1594 N GLU A 103 0.430 -1.810 -9.371 1.00 0.00 N ATOM 1595 CA GLU A 103 1.018 -2.307 -10.649 1.00 0.00 C ATOM 1596 C GLU A 103 2.574 -2.378 -10.593 1.00 0.00 C ATOM 1597 O GLU A 103 3.254 -1.432 -10.183 1.00 0.00 O ATOM 1598 CB GLU A 103 0.554 -1.452 -11.854 1.00 0.00 C ATOM 1599 CG GLU A 103 0.778 -2.150 -13.224 1.00 0.00 C ATOM 1600 CD GLU A 103 0.262 -1.385 -14.424 1.00 0.00 C ATOM 1601 OE1 GLU A 103 0.951 -0.451 -14.882 1.00 0.00 O ATOM 1602 OE2 GLU A 103 -0.817 -1.745 -14.941 1.00 0.00 O ATOM 0 H GLU A 103 0.631 -0.830 -9.171 1.00 0.00 H new ATOM 0 HA GLU A 103 0.649 -3.323 -10.787 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -0.505 -1.221 -11.740 1.00 0.00 H new ATOM 0 HB3 GLU A 103 1.090 -0.503 -11.845 1.00 0.00 H new ATOM 0 HG2 GLU A 103 1.846 -2.325 -13.355 1.00 0.00 H new ATOM 0 HG3 GLU A 103 0.296 -3.127 -13.200 1.00 0.00 H new ATOM 1609 N LEU A 104 3.125 -3.498 -11.076 1.00 0.00 N ATOM 1610 CA LEU A 104 4.590 -3.718 -11.166 1.00 0.00 C ATOM 1611 C LEU A 104 5.055 -3.533 -12.647 1.00 0.00 C ATOM 1612 O LEU A 104 4.679 -4.306 -13.536 1.00 0.00 O ATOM 1613 CB LEU A 104 4.932 -5.120 -10.578 1.00 0.00 C ATOM 1614 CG LEU A 104 6.196 -5.188 -9.686 1.00 0.00 C ATOM 1615 CD1 LEU A 104 6.392 -6.630 -9.206 1.00 0.00 C ATOM 1616 CD2 LEU A 104 7.483 -4.723 -10.386 1.00 0.00 C ATOM 0 H LEU A 104 2.574 -4.285 -11.419 1.00 0.00 H new ATOM 0 HA LEU A 104 5.136 -2.983 -10.575 1.00 0.00 H new ATOM 0 HB2 LEU A 104 4.079 -5.466 -9.994 1.00 0.00 H new ATOM 0 HB3 LEU A 104 5.056 -5.819 -11.405 1.00 0.00 H new ATOM 0 HG LEU A 104 6.024 -4.502 -8.857 1.00 0.00 H new ATOM 0 HD11 LEU A 104 7.280 -6.687 -8.577 1.00 0.00 H new ATOM 0 HD12 LEU A 104 5.520 -6.944 -8.632 1.00 0.00 H new ATOM 0 HD13 LEU A 104 6.515 -7.287 -10.067 1.00 0.00 H new ATOM 0 HD21 LEU A 104 8.322 -4.801 -9.694 1.00 0.00 H new ATOM 0 HD22 LEU A 104 7.671 -5.351 -11.257 1.00 0.00 H new ATOM 0 HD23 LEU A 104 7.370 -3.686 -10.704 1.00 0.00 H new ATOM 1628 N ASN A 105 5.866 -2.500 -12.924 1.00 0.00 N ATOM 1629 CA ASN A 105 6.390 -2.228 -14.296 1.00 0.00 C ATOM 1630 C ASN A 105 7.900 -2.624 -14.357 1.00 0.00 C ATOM 1631 O ASN A 105 8.793 -1.796 -14.152 1.00 0.00 O ATOM 1632 CB ASN A 105 6.085 -0.746 -14.654 1.00 0.00 C ATOM 1633 CG ASN A 105 4.638 -0.474 -15.093 1.00 0.00 C ATOM 1634 OD1 ASN A 105 4.311 -0.537 -16.272 1.00 0.00 O ATOM 1635 ND2 ASN A 105 3.737 -0.183 -14.183 1.00 0.00 N ATOM 0 H ASN A 105 6.181 -1.830 -12.222 1.00 0.00 H new ATOM 0 HA ASN A 105 5.898 -2.834 -15.057 1.00 0.00 H new ATOM 0 HB2 ASN A 105 6.310 -0.124 -13.788 1.00 0.00 H new ATOM 0 HB3 ASN A 105 6.757 -0.434 -15.454 1.00 0.00 H new ATOM 0 HD21 ASN A 105 2.770 -0.011 -14.459 1.00 0.00 H new ATOM 0 HD22 ASN A 105 4.004 -0.129 -13.200 1.00 0.00 H new ATOM 1642 N GLY A 106 8.180 -3.918 -14.623 1.00 0.00 N ATOM 1643 CA GLY A 106 9.569 -4.459 -14.640 1.00 0.00 C ATOM 1644 C GLY A 106 10.119 -4.702 -13.219 1.00 0.00 C ATOM 1645 O GLY A 106 9.813 -5.726 -12.605 1.00 0.00 O ATOM 0 H GLY A 106 7.464 -4.615 -14.830 1.00 0.00 H new ATOM 0 HA2 GLY A 106 9.585 -5.395 -15.199 1.00 0.00 H new ATOM 0 HA3 GLY A 106 10.222 -3.762 -15.166 1.00 0.00 H new ATOM 1649 N ASP A 107 10.905 -3.741 -12.714 1.00 0.00 N ATOM 1650 CA ASP A 107 11.391 -3.743 -11.297 1.00 0.00 C ATOM 1651 C ASP A 107 11.043 -2.418 -10.507 1.00 0.00 C ATOM 1652 O ASP A 107 11.756 -2.012 -9.581 1.00 0.00 O ATOM 1653 CB ASP A 107 12.897 -4.131 -11.275 1.00 0.00 C ATOM 1654 CG ASP A 107 13.202 -5.608 -11.551 1.00 0.00 C ATOM 1655 OD1 ASP A 107 12.625 -6.491 -10.875 1.00 0.00 O ATOM 1656 OD2 ASP A 107 14.042 -5.888 -12.429 1.00 0.00 O ATOM 0 H ASP A 107 11.228 -2.941 -13.258 1.00 0.00 H new ATOM 0 HA ASP A 107 10.844 -4.504 -10.740 1.00 0.00 H new ATOM 0 HB2 ASP A 107 13.421 -3.525 -12.014 1.00 0.00 H new ATOM 0 HB3 ASP A 107 13.308 -3.869 -10.300 1.00 0.00 H new ATOM 1661 N ILE A 108 9.911 -1.758 -10.833 1.00 0.00 N ATOM 1662 CA ILE A 108 9.386 -0.567 -10.111 1.00 0.00 C ATOM 1663 C ILE A 108 7.875 -0.831 -9.823 1.00 0.00 C ATOM 1664 O ILE A 108 7.102 -1.157 -10.732 1.00 0.00 O ATOM 1665 CB ILE A 108 9.689 0.814 -10.773 1.00 0.00 C ATOM 1666 CG1 ILE A 108 8.904 1.129 -12.068 1.00 0.00 C ATOM 1667 CG2 ILE A 108 11.198 1.084 -10.980 1.00 0.00 C ATOM 1668 CD1 ILE A 108 7.613 1.924 -11.817 1.00 0.00 C ATOM 0 H ILE A 108 9.323 -2.038 -11.618 1.00 0.00 H new ATOM 0 HA ILE A 108 9.931 -0.457 -9.174 1.00 0.00 H new ATOM 0 HB ILE A 108 9.313 1.509 -10.022 1.00 0.00 H new ATOM 0 HG12 ILE A 108 9.545 1.694 -12.745 1.00 0.00 H new ATOM 0 HG13 ILE A 108 8.655 0.194 -12.570 1.00 0.00 H new ATOM 0 HG21 ILE A 108 11.332 2.061 -11.444 1.00 0.00 H new ATOM 0 HG22 ILE A 108 11.706 1.067 -10.016 1.00 0.00 H new ATOM 0 HG23 ILE A 108 11.620 0.314 -11.626 1.00 0.00 H new ATOM 0 HD11 ILE A 108 7.111 2.112 -12.766 1.00 0.00 H new ATOM 0 HD12 ILE A 108 6.954 1.351 -11.165 1.00 0.00 H new ATOM 0 HD13 ILE A 108 7.857 2.874 -11.342 1.00 0.00 H new ATOM 1680 N ILE A 109 7.446 -0.686 -8.563 1.00 0.00 N ATOM 1681 CA ILE A 109 6.035 -0.925 -8.149 1.00 0.00 C ATOM 1682 C ILE A 109 5.284 0.411 -7.862 1.00 0.00 C ATOM 1683 O ILE A 109 5.816 1.309 -7.198 1.00 0.00 O ATOM 1684 CB ILE A 109 6.013 -1.942 -6.951 1.00 0.00 C ATOM 1685 CG1 ILE A 109 4.613 -2.584 -6.760 1.00 0.00 C ATOM 1686 CG2 ILE A 109 6.524 -1.357 -5.605 1.00 0.00 C ATOM 1687 CD1 ILE A 109 4.611 -3.850 -5.890 1.00 0.00 C ATOM 0 H ILE A 109 8.055 -0.401 -7.796 1.00 0.00 H new ATOM 0 HA ILE A 109 5.481 -1.380 -8.970 1.00 0.00 H new ATOM 0 HB ILE A 109 6.723 -2.717 -7.239 1.00 0.00 H new ATOM 0 HG12 ILE A 109 3.947 -1.848 -6.311 1.00 0.00 H new ATOM 0 HG13 ILE A 109 4.202 -2.830 -7.739 1.00 0.00 H new ATOM 0 HG21 ILE A 109 6.475 -2.125 -4.833 1.00 0.00 H new ATOM 0 HG22 ILE A 109 7.555 -1.024 -5.721 1.00 0.00 H new ATOM 0 HG23 ILE A 109 5.900 -0.511 -5.316 1.00 0.00 H new ATOM 0 HD11 ILE A 109 3.594 -4.234 -5.808 1.00 0.00 H new ATOM 0 HD12 ILE A 109 5.249 -4.607 -6.347 1.00 0.00 H new ATOM 0 HD13 ILE A 109 4.989 -3.609 -4.896 1.00 0.00 H new ATOM 1699 N THR A 110 4.034 0.529 -8.340 1.00 0.00 N ATOM 1700 CA THR A 110 3.167 1.703 -8.040 1.00 0.00 C ATOM 1701 C THR A 110 1.898 1.267 -7.261 1.00 0.00 C ATOM 1702 O THR A 110 1.171 0.394 -7.732 1.00 0.00 O ATOM 1703 CB THR A 110 2.850 2.547 -9.312 1.00 0.00 C ATOM 1704 OG1 THR A 110 2.510 3.886 -8.948 1.00 0.00 O ATOM 1705 CG2 THR A 110 1.732 2.052 -10.236 1.00 0.00 C ATOM 0 H THR A 110 3.592 -0.170 -8.937 1.00 0.00 H new ATOM 0 HA THR A 110 3.725 2.373 -7.386 1.00 0.00 H new ATOM 0 HB THR A 110 3.777 2.459 -9.879 1.00 0.00 H new ATOM 0 HG1 THR A 110 2.515 3.971 -7.972 1.00 0.00 H new ATOM 0 HG21 THR A 110 1.625 2.737 -11.077 1.00 0.00 H new ATOM 0 HG22 THR A 110 1.981 1.058 -10.608 1.00 0.00 H new ATOM 0 HG23 THR A 110 0.795 2.008 -9.682 1.00 0.00 H new ATOM 1713 N ASN A 111 1.606 1.885 -6.108 1.00 0.00 N ATOM 1714 CA ASN A 111 0.366 1.588 -5.335 1.00 0.00 C ATOM 1715 C ASN A 111 -0.623 2.775 -5.511 1.00 0.00 C ATOM 1716 O ASN A 111 -0.410 3.850 -4.943 1.00 0.00 O ATOM 1717 CB ASN A 111 0.715 1.271 -3.860 1.00 0.00 C ATOM 1718 CG ASN A 111 -0.443 0.592 -3.123 1.00 0.00 C ATOM 1719 OD1 ASN A 111 -0.817 -0.535 -3.429 1.00 0.00 O ATOM 1720 ND2 ASN A 111 -1.079 1.248 -2.185 1.00 0.00 N ATOM 0 H ASN A 111 2.202 2.594 -5.681 1.00 0.00 H new ATOM 0 HA ASN A 111 -0.130 0.694 -5.713 1.00 0.00 H new ATOM 0 HB2 ASN A 111 1.592 0.625 -3.827 1.00 0.00 H new ATOM 0 HB3 ASN A 111 0.979 2.194 -3.345 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -1.878 0.821 -1.716 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -0.776 2.186 -1.923 1.00 0.00 H new ATOM 1727 N THR A 112 -1.684 2.569 -6.309 1.00 0.00 N ATOM 1728 CA THR A 112 -2.676 3.630 -6.639 1.00 0.00 C ATOM 1729 C THR A 112 -4.004 3.399 -5.848 1.00 0.00 C ATOM 1730 O THR A 112 -4.849 2.581 -6.229 1.00 0.00 O ATOM 1731 CB THR A 112 -2.869 3.663 -8.187 1.00 0.00 C ATOM 1732 OG1 THR A 112 -1.615 3.691 -8.866 1.00 0.00 O ATOM 1733 CG2 THR A 112 -3.637 4.889 -8.690 1.00 0.00 C ATOM 0 H THR A 112 -1.886 1.670 -6.746 1.00 0.00 H new ATOM 0 HA THR A 112 -2.316 4.611 -6.330 1.00 0.00 H new ATOM 0 HB THR A 112 -3.437 2.758 -8.400 1.00 0.00 H new ATOM 0 HG1 THR A 112 -1.767 3.710 -9.834 1.00 0.00 H new ATOM 0 HG21 THR A 112 -3.730 4.840 -9.775 1.00 0.00 H new ATOM 0 HG22 THR A 112 -4.630 4.906 -8.241 1.00 0.00 H new ATOM 0 HG23 THR A 112 -3.098 5.795 -8.413 1.00 0.00 H new ATOM 1741 N MET A 113 -4.183 4.134 -4.740 1.00 0.00 N ATOM 1742 CA MET A 113 -5.416 4.077 -3.908 1.00 0.00 C ATOM 1743 C MET A 113 -6.444 5.134 -4.409 1.00 0.00 C ATOM 1744 O MET A 113 -6.329 6.337 -4.148 1.00 0.00 O ATOM 1745 CB MET A 113 -5.060 4.256 -2.413 1.00 0.00 C ATOM 1746 CG MET A 113 -4.522 2.989 -1.726 1.00 0.00 C ATOM 1747 SD MET A 113 -4.502 3.230 0.060 1.00 0.00 S ATOM 1748 CE MET A 113 -4.542 1.509 0.586 1.00 0.00 C ATOM 0 H MET A 113 -3.483 4.787 -4.387 1.00 0.00 H new ATOM 0 HA MET A 113 -5.884 3.098 -4.009 1.00 0.00 H new ATOM 0 HB2 MET A 113 -4.315 5.046 -2.323 1.00 0.00 H new ATOM 0 HB3 MET A 113 -5.949 4.593 -1.879 1.00 0.00 H new ATOM 0 HG2 MET A 113 -5.146 2.133 -1.980 1.00 0.00 H new ATOM 0 HG3 MET A 113 -3.517 2.768 -2.084 1.00 0.00 H new ATOM 0 HE1 MET A 113 -4.535 1.461 1.675 1.00 0.00 H new ATOM 0 HE2 MET A 113 -5.447 1.034 0.208 1.00 0.00 H new ATOM 0 HE3 MET A 113 -3.668 0.988 0.194 1.00 0.00 H new ATOM 1758 N THR A 114 -7.458 4.648 -5.136 1.00 0.00 N ATOM 1759 CA THR A 114 -8.496 5.507 -5.771 1.00 0.00 C ATOM 1760 C THR A 114 -9.760 5.633 -4.860 1.00 0.00 C ATOM 1761 O THR A 114 -10.505 4.669 -4.648 1.00 0.00 O ATOM 1762 CB THR A 114 -8.832 5.015 -7.214 1.00 0.00 C ATOM 1763 OG1 THR A 114 -9.365 3.696 -7.222 1.00 0.00 O ATOM 1764 CG2 THR A 114 -7.658 5.019 -8.205 1.00 0.00 C ATOM 0 H THR A 114 -7.592 3.651 -5.307 1.00 0.00 H new ATOM 0 HA THR A 114 -8.090 6.513 -5.876 1.00 0.00 H new ATOM 0 HB THR A 114 -9.564 5.752 -7.545 1.00 0.00 H new ATOM 0 HG1 THR A 114 -8.714 3.078 -6.830 1.00 0.00 H new ATOM 0 HG21 THR A 114 -8.000 4.660 -9.176 1.00 0.00 H new ATOM 0 HG22 THR A 114 -7.273 6.033 -8.309 1.00 0.00 H new ATOM 0 HG23 THR A 114 -6.867 4.367 -7.835 1.00 0.00 H new ATOM 1772 N LEU A 115 -9.977 6.837 -4.308 1.00 0.00 N ATOM 1773 CA LEU A 115 -11.163 7.164 -3.467 1.00 0.00 C ATOM 1774 C LEU A 115 -12.048 8.196 -4.238 1.00 0.00 C ATOM 1775 O LEU A 115 -12.004 9.404 -3.974 1.00 0.00 O ATOM 1776 CB LEU A 115 -10.613 7.626 -2.085 1.00 0.00 C ATOM 1777 CG LEU A 115 -11.621 8.157 -1.031 1.00 0.00 C ATOM 1778 CD1 LEU A 115 -12.684 7.123 -0.621 1.00 0.00 C ATOM 1779 CD2 LEU A 115 -10.858 8.634 0.216 1.00 0.00 C ATOM 0 H LEU A 115 -9.337 7.622 -4.427 1.00 0.00 H new ATOM 0 HA LEU A 115 -11.828 6.322 -3.273 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -10.081 6.785 -1.641 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -9.877 8.410 -2.265 1.00 0.00 H new ATOM 0 HG LEU A 115 -12.155 8.984 -1.499 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -13.354 7.563 0.118 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -13.258 6.824 -1.498 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -12.195 6.249 -0.192 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -11.567 9.007 0.956 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -10.296 7.801 0.639 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -10.170 9.432 -0.062 1.00 0.00 H new ATOM 1791 N GLY A 116 -12.839 7.708 -5.219 1.00 0.00 N ATOM 1792 CA GLY A 116 -13.693 8.574 -6.083 1.00 0.00 C ATOM 1793 C GLY A 116 -12.900 9.496 -7.036 1.00 0.00 C ATOM 1794 O GLY A 116 -12.487 9.083 -8.121 1.00 0.00 O ATOM 0 H GLY A 116 -12.908 6.714 -5.438 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -14.353 7.940 -6.675 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -14.329 9.189 -5.446 1.00 0.00 H new ATOM 1798 N ASP A 117 -12.692 10.733 -6.580 1.00 0.00 N ATOM 1799 CA ASP A 117 -11.846 11.746 -7.283 1.00 0.00 C ATOM 1800 C ASP A 117 -10.347 11.766 -6.798 1.00 0.00 C ATOM 1801 O ASP A 117 -9.457 12.155 -7.559 1.00 0.00 O ATOM 1802 CB ASP A 117 -12.488 13.149 -7.101 1.00 0.00 C ATOM 1803 CG ASP A 117 -13.836 13.356 -7.792 1.00 0.00 C ATOM 1804 OD1 ASP A 117 -13.854 13.576 -9.022 1.00 0.00 O ATOM 1805 OD2 ASP A 117 -14.878 13.307 -7.104 1.00 0.00 O ATOM 0 H ASP A 117 -13.099 11.078 -5.711 1.00 0.00 H new ATOM 0 HA ASP A 117 -11.814 11.466 -8.336 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -12.615 13.335 -6.034 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -11.790 13.899 -7.474 1.00 0.00 H new ATOM 1810 N ILE A 118 -10.057 11.363 -5.542 1.00 0.00 N ATOM 1811 CA ILE A 118 -8.689 11.358 -4.958 1.00 0.00 C ATOM 1812 C ILE A 118 -7.891 10.105 -5.465 1.00 0.00 C ATOM 1813 O ILE A 118 -8.295 8.961 -5.224 1.00 0.00 O ATOM 1814 CB ILE A 118 -8.773 11.361 -3.390 1.00 0.00 C ATOM 1815 CG1 ILE A 118 -9.719 12.386 -2.686 1.00 0.00 C ATOM 1816 CG2 ILE A 118 -7.363 11.436 -2.753 1.00 0.00 C ATOM 1817 CD1 ILE A 118 -9.301 13.865 -2.694 1.00 0.00 C ATOM 0 H ILE A 118 -10.770 11.028 -4.895 1.00 0.00 H new ATOM 0 HA ILE A 118 -8.162 12.257 -5.279 1.00 0.00 H new ATOM 0 HB ILE A 118 -9.261 10.404 -3.204 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -10.701 12.312 -3.153 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -9.836 12.076 -1.648 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -7.454 11.436 -1.667 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -6.775 10.574 -3.068 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -6.866 12.351 -3.076 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -10.051 14.458 -2.170 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -8.339 13.974 -2.194 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -9.217 14.214 -3.723 1.00 0.00 H new ATOM 1829 N VAL A 119 -6.728 10.326 -6.097 1.00 0.00 N ATOM 1830 CA VAL A 119 -5.871 9.220 -6.625 1.00 0.00 C ATOM 1831 C VAL A 119 -4.525 9.217 -5.823 1.00 0.00 C ATOM 1832 O VAL A 119 -3.554 9.861 -6.229 1.00 0.00 O ATOM 1833 CB VAL A 119 -5.721 9.367 -8.184 1.00 0.00 C ATOM 1834 CG1 VAL A 119 -4.830 8.275 -8.815 1.00 0.00 C ATOM 1835 CG2 VAL A 119 -7.065 9.338 -8.959 1.00 0.00 C ATOM 0 H VAL A 119 -6.347 11.258 -6.262 1.00 0.00 H new ATOM 0 HA VAL A 119 -6.321 8.239 -6.476 1.00 0.00 H new ATOM 0 HB VAL A 119 -5.260 10.350 -8.284 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -4.768 8.434 -9.892 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -3.831 8.326 -8.382 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -5.262 7.294 -8.617 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -6.872 9.445 -10.026 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -7.571 8.390 -8.775 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -7.698 10.158 -8.621 1.00 0.00 H new ATOM 1845 N PHE A 120 -4.445 8.502 -4.679 1.00 0.00 N ATOM 1846 CA PHE A 120 -3.190 8.411 -3.873 1.00 0.00 C ATOM 1847 C PHE A 120 -2.190 7.404 -4.522 1.00 0.00 C ATOM 1848 O PHE A 120 -2.327 6.189 -4.360 1.00 0.00 O ATOM 1849 CB PHE A 120 -3.543 8.121 -2.384 1.00 0.00 C ATOM 1850 CG PHE A 120 -2.378 7.761 -1.430 1.00 0.00 C ATOM 1851 CD1 PHE A 120 -1.172 8.471 -1.466 1.00 0.00 C ATOM 1852 CD2 PHE A 120 -2.481 6.641 -0.597 1.00 0.00 C ATOM 1853 CE1 PHE A 120 -0.074 8.031 -0.738 1.00 0.00 C ATOM 1854 CE2 PHE A 120 -1.382 6.206 0.141 1.00 0.00 C ATOM 1855 CZ PHE A 120 -0.177 6.900 0.066 1.00 0.00 C ATOM 0 H PHE A 120 -5.228 7.978 -4.287 1.00 0.00 H new ATOM 0 HA PHE A 120 -2.663 9.365 -3.874 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -4.049 8.999 -1.981 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -4.261 7.301 -2.362 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -1.095 9.367 -2.064 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -3.419 6.110 -0.526 1.00 0.00 H new ATOM 0 HE1 PHE A 120 0.861 8.568 -0.796 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -1.465 5.332 0.770 1.00 0.00 H new ATOM 0 HZ PHE A 120 0.678 6.560 0.632 1.00 0.00 H new ATOM 1865 N LYS A 121 -1.173 7.931 -5.223 1.00 0.00 N ATOM 1866 CA LYS A 121 -0.207 7.090 -5.975 1.00 0.00 C ATOM 1867 C LYS A 121 1.241 7.097 -5.391 1.00 0.00 C ATOM 1868 O LYS A 121 1.955 8.102 -5.452 1.00 0.00 O ATOM 1869 CB LYS A 121 -0.262 7.544 -7.458 1.00 0.00 C ATOM 1870 CG LYS A 121 0.443 6.592 -8.449 1.00 0.00 C ATOM 1871 CD LYS A 121 0.329 7.110 -9.894 1.00 0.00 C ATOM 1872 CE LYS A 121 1.017 6.170 -10.896 1.00 0.00 C ATOM 1873 NZ LYS A 121 0.882 6.746 -12.259 1.00 0.00 N ATOM 0 H LYS A 121 -0.992 8.933 -5.289 1.00 0.00 H new ATOM 0 HA LYS A 121 -0.500 6.044 -5.884 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -1.306 7.647 -7.754 1.00 0.00 H new ATOM 0 HB3 LYS A 121 0.191 8.532 -7.539 1.00 0.00 H new ATOM 0 HG2 LYS A 121 1.494 6.493 -8.177 1.00 0.00 H new ATOM 0 HG3 LYS A 121 0.001 5.598 -8.380 1.00 0.00 H new ATOM 0 HD2 LYS A 121 -0.723 7.216 -10.159 1.00 0.00 H new ATOM 0 HD3 LYS A 121 0.776 8.102 -9.960 1.00 0.00 H new ATOM 0 HE2 LYS A 121 2.069 6.049 -10.639 1.00 0.00 H new ATOM 0 HE3 LYS A 121 0.564 5.180 -10.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 1.344 6.119 -12.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 -0.126 6.840 -12.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 1.333 7.683 -12.286 1.00 0.00 H new ATOM 1887 N ARG A 122 1.688 5.947 -4.862 1.00 0.00 N ATOM 1888 CA ARG A 122 3.121 5.732 -4.506 1.00 0.00 C ATOM 1889 C ARG A 122 3.906 5.166 -5.742 1.00 0.00 C ATOM 1890 O ARG A 122 3.344 4.479 -6.603 1.00 0.00 O ATOM 1891 CB ARG A 122 3.243 4.748 -3.309 1.00 0.00 C ATOM 1892 CG ARG A 122 3.126 5.368 -1.896 1.00 0.00 C ATOM 1893 CD ARG A 122 3.576 4.355 -0.828 1.00 0.00 C ATOM 1894 NE ARG A 122 3.708 4.969 0.518 1.00 0.00 N ATOM 1895 CZ ARG A 122 4.304 4.388 1.562 1.00 0.00 C ATOM 1896 NH1 ARG A 122 4.761 3.158 1.558 1.00 0.00 N ATOM 1897 NH2 ARG A 122 4.453 5.086 2.649 1.00 0.00 N ATOM 0 H ARG A 122 1.087 5.146 -4.667 1.00 0.00 H new ATOM 0 HA ARG A 122 3.552 6.691 -4.217 1.00 0.00 H new ATOM 0 HB2 ARG A 122 2.471 3.986 -3.413 1.00 0.00 H new ATOM 0 HB3 ARG A 122 4.205 4.240 -3.381 1.00 0.00 H new ATOM 0 HG2 ARG A 122 3.739 6.267 -1.835 1.00 0.00 H new ATOM 0 HG3 ARG A 122 2.096 5.671 -1.709 1.00 0.00 H new ATOM 0 HD2 ARG A 122 2.857 3.537 -0.782 1.00 0.00 H new ATOM 0 HD3 ARG A 122 4.532 3.923 -1.122 1.00 0.00 H new ATOM 0 HE ARG A 122 3.316 5.901 0.654 1.00 0.00 H new ATOM 0 HH11 ARG A 122 4.671 2.583 0.720 1.00 0.00 H new ATOM 0 HH12 ARG A 122 5.206 2.777 2.393 1.00 0.00 H new ATOM 0 HH21 ARG A 122 4.118 6.049 2.687 1.00 0.00 H new ATOM 0 HH22 ARG A 122 4.904 4.671 3.464 1.00 0.00 H new ATOM 1911 N ILE A 123 5.213 5.463 -5.820 1.00 0.00 N ATOM 1912 CA ILE A 123 6.125 4.928 -6.876 1.00 0.00 C ATOM 1913 C ILE A 123 7.409 4.464 -6.101 1.00 0.00 C ATOM 1914 O ILE A 123 8.196 5.298 -5.637 1.00 0.00 O ATOM 1915 CB ILE A 123 6.410 5.953 -8.039 1.00 0.00 C ATOM 1916 CG1 ILE A 123 5.154 6.462 -8.820 1.00 0.00 C ATOM 1917 CG2 ILE A 123 7.388 5.349 -9.083 1.00 0.00 C ATOM 1918 CD1 ILE A 123 4.451 7.702 -8.233 1.00 0.00 C ATOM 0 H ILE A 123 5.680 6.081 -5.157 1.00 0.00 H new ATOM 0 HA ILE A 123 5.672 4.096 -7.416 1.00 0.00 H new ATOM 0 HB ILE A 123 6.835 6.811 -7.518 1.00 0.00 H new ATOM 0 HG12 ILE A 123 5.454 6.689 -9.843 1.00 0.00 H new ATOM 0 HG13 ILE A 123 4.430 5.649 -8.873 1.00 0.00 H new ATOM 0 HG21 ILE A 123 7.569 6.076 -9.875 1.00 0.00 H new ATOM 0 HG22 ILE A 123 8.331 5.100 -8.597 1.00 0.00 H new ATOM 0 HG23 ILE A 123 6.951 4.447 -9.511 1.00 0.00 H new ATOM 0 HD11 ILE A 123 3.596 7.964 -8.856 1.00 0.00 H new ATOM 0 HD12 ILE A 123 4.110 7.482 -7.221 1.00 0.00 H new ATOM 0 HD13 ILE A 123 5.150 8.538 -8.206 1.00 0.00 H new ATOM 1930 N SER A 124 7.620 3.141 -5.979 1.00 0.00 N ATOM 1931 CA SER A 124 8.752 2.547 -5.209 1.00 0.00 C ATOM 1932 C SER A 124 9.610 1.582 -6.089 1.00 0.00 C ATOM 1933 O SER A 124 9.074 0.787 -6.866 1.00 0.00 O ATOM 1934 CB SER A 124 8.155 1.808 -3.981 1.00 0.00 C ATOM 1935 OG SER A 124 7.462 2.698 -3.101 1.00 0.00 O ATOM 0 H SER A 124 7.014 2.443 -6.409 1.00 0.00 H new ATOM 0 HA SER A 124 9.427 3.338 -4.881 1.00 0.00 H new ATOM 0 HB2 SER A 124 7.471 1.032 -4.323 1.00 0.00 H new ATOM 0 HB3 SER A 124 8.955 1.309 -3.435 1.00 0.00 H new ATOM 0 HG SER A 124 6.544 2.381 -2.972 1.00 0.00 H new ATOM 1941 N LYS A 125 10.952 1.626 -5.977 1.00 0.00 N ATOM 1942 CA LYS A 125 11.858 0.767 -6.791 1.00 0.00 C ATOM 1943 C LYS A 125 12.371 -0.491 -6.019 1.00 0.00 C ATOM 1944 O LYS A 125 12.786 -0.395 -4.862 1.00 0.00 O ATOM 1945 CB LYS A 125 13.004 1.677 -7.302 1.00 0.00 C ATOM 1946 CG LYS A 125 13.980 0.950 -8.256 1.00 0.00 C ATOM 1947 CD LYS A 125 14.771 1.897 -9.179 1.00 0.00 C ATOM 1948 CE LYS A 125 15.330 1.212 -10.443 1.00 0.00 C ATOM 1949 NZ LYS A 125 16.393 0.217 -10.115 1.00 0.00 N ATOM 0 H LYS A 125 11.441 2.246 -5.331 1.00 0.00 H new ATOM 0 HA LYS A 125 11.313 0.342 -7.634 1.00 0.00 H new ATOM 0 HB2 LYS A 125 12.575 2.536 -7.817 1.00 0.00 H new ATOM 0 HB3 LYS A 125 13.561 2.063 -6.448 1.00 0.00 H new ATOM 0 HG2 LYS A 125 14.683 0.364 -7.664 1.00 0.00 H new ATOM 0 HG3 LYS A 125 13.417 0.247 -8.870 1.00 0.00 H new ATOM 0 HD2 LYS A 125 14.123 2.721 -9.480 1.00 0.00 H new ATOM 0 HD3 LYS A 125 15.598 2.331 -8.616 1.00 0.00 H new ATOM 0 HE2 LYS A 125 14.519 0.714 -10.975 1.00 0.00 H new ATOM 0 HE3 LYS A 125 15.736 1.968 -11.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 16.742 -0.220 -10.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 17.179 0.696 -9.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 16.000 -0.519 -9.494 1.00 0.00 H new ATOM 1963 N ARG A 126 12.417 -1.651 -6.703 1.00 0.00 N ATOM 1964 CA ARG A 126 12.861 -2.942 -6.114 1.00 0.00 C ATOM 1965 C ARG A 126 14.339 -2.973 -5.614 1.00 0.00 C ATOM 1966 O ARG A 126 15.282 -2.704 -6.366 1.00 0.00 O ATOM 1967 CB ARG A 126 12.623 -4.014 -7.205 1.00 0.00 C ATOM 1968 CG ARG A 126 12.583 -5.473 -6.700 1.00 0.00 C ATOM 1969 CD ARG A 126 12.397 -6.428 -7.888 1.00 0.00 C ATOM 1970 NE ARG A 126 12.000 -7.793 -7.464 1.00 0.00 N ATOM 1971 CZ ARG A 126 11.589 -8.746 -8.301 1.00 0.00 C ATOM 1972 NH1 ARG A 126 11.593 -8.637 -9.612 1.00 0.00 N ATOM 1973 NH2 ARG A 126 11.156 -9.854 -7.779 1.00 0.00 N ATOM 0 H ARG A 126 12.147 -1.725 -7.684 1.00 0.00 H new ATOM 0 HA ARG A 126 12.286 -3.123 -5.206 1.00 0.00 H new ATOM 0 HB2 ARG A 126 11.681 -3.795 -7.707 1.00 0.00 H new ATOM 0 HB3 ARG A 126 13.410 -3.928 -7.954 1.00 0.00 H new ATOM 0 HG2 ARG A 126 13.506 -5.710 -6.172 1.00 0.00 H new ATOM 0 HG3 ARG A 126 11.767 -5.599 -5.988 1.00 0.00 H new ATOM 0 HD2 ARG A 126 11.638 -6.025 -8.559 1.00 0.00 H new ATOM 0 HD3 ARG A 126 13.327 -6.483 -8.454 1.00 0.00 H new ATOM 0 HE ARG A 126 12.044 -8.017 -6.470 1.00 0.00 H new ATOM 0 HH11 ARG A 126 11.927 -7.779 -10.051 1.00 0.00 H new ATOM 0 HH12 ARG A 126 11.263 -9.410 -10.189 1.00 0.00 H new ATOM 0 HH21 ARG A 126 11.140 -9.968 -6.766 1.00 0.00 H new ATOM 0 HH22 ARG A 126 10.832 -10.610 -8.383 1.00 0.00 H new ATOM 1987 N ILE A 127 14.494 -3.298 -4.327 1.00 0.00 N ATOM 1988 CA ILE A 127 15.804 -3.407 -3.632 1.00 0.00 C ATOM 1989 C ILE A 127 15.821 -4.757 -2.823 1.00 0.00 C ATOM 1990 O ILE A 127 16.926 -5.156 -2.390 1.00 0.00 O ATOM 1991 CB ILE A 127 16.062 -2.047 -2.858 1.00 0.00 C ATOM 1992 CG1 ILE A 127 16.556 -0.928 -3.826 1.00 0.00 C ATOM 1993 CG2 ILE A 127 16.991 -2.165 -1.629 1.00 0.00 C ATOM 1994 CD1 ILE A 127 16.691 0.491 -3.248 1.00 0.00 C ATOM 1995 OXT ILE A 127 14.780 -5.443 -2.637 1.00 0.00 O ATOM 0 H ILE A 127 13.702 -3.499 -3.716 1.00 0.00 H new ATOM 0 HA ILE A 127 16.671 -3.497 -4.287 1.00 0.00 H new ATOM 0 HB ILE A 127 15.089 -1.768 -2.454 1.00 0.00 H new ATOM 0 HG12 ILE A 127 17.528 -1.226 -4.220 1.00 0.00 H new ATOM 0 HG13 ILE A 127 15.869 -0.885 -4.671 1.00 0.00 H new ATOM 0 HG21 ILE A 127 17.108 -1.185 -1.166 1.00 0.00 H new ATOM 0 HG22 ILE A 127 16.555 -2.857 -0.909 1.00 0.00 H new ATOM 0 HG23 ILE A 127 17.966 -2.536 -1.944 1.00 0.00 H new ATOM 0 HD11 ILE A 127 17.042 1.169 -4.026 1.00 0.00 H new ATOM 0 HD12 ILE A 127 15.721 0.829 -2.883 1.00 0.00 H new ATOM 0 HD13 ILE A 127 17.405 0.482 -2.425 1.00 0.00 H new TER 2007 ILE A 127 HETATM 2008 C1 OLA A 128 5.940 10.134 14.488 1.00 0.00 C HETATM 2009 O1 OLA A 128 5.817 11.121 15.247 1.00 0.00 O HETATM 2010 O2 OLA A 128 6.991 9.910 13.848 1.00 0.00 O HETATM 2011 C2 OLA A 128 4.714 9.269 14.224 1.00 0.00 C HETATM 2012 C3 OLA A 128 3.933 9.580 12.927 1.00 0.00 C HETATM 2013 C4 OLA A 128 4.566 9.017 11.642 1.00 0.00 C HETATM 2014 C5 OLA A 128 3.781 9.350 10.359 1.00 0.00 C HETATM 2015 C6 OLA A 128 2.450 8.585 10.219 1.00 0.00 C HETATM 2016 C7 OLA A 128 1.730 8.890 8.895 1.00 0.00 C HETATM 2017 C8 OLA A 128 0.383 8.149 8.801 1.00 0.00 C HETATM 2018 C9 OLA A 128 -0.352 8.490 7.522 1.00 0.00 C HETATM 2019 C10 OLA A 128 -0.366 7.790 6.382 1.00 0.00 C HETATM 2020 C11 OLA A 128 0.345 6.480 6.099 1.00 0.00 C HETATM 2021 C12 OLA A 128 -0.027 5.897 4.723 1.00 0.00 C HETATM 2022 C13 OLA A 128 0.634 4.544 4.406 1.00 0.00 C HETATM 2023 C14 OLA A 128 0.342 4.134 2.951 1.00 0.00 C HETATM 2024 C15 OLA A 128 0.942 2.778 2.549 1.00 0.00 C HETATM 2025 C16 OLA A 128 0.653 2.455 1.069 1.00 0.00 C HETATM 2026 C17 OLA A 128 1.374 1.198 0.552 1.00 0.00 C HETATM 2027 C18 OLA A 128 0.697 -0.119 0.956 1.00 0.00 C HETATM 0 H183 OLA A 128 0.663 -0.192 2.043 1.00 0.00 H new HETATM 0 H182 OLA A 128 -0.318 -0.143 0.558 1.00 0.00 H new HETATM 0 H181 OLA A 128 1.265 -0.958 0.554 1.00 0.00 H new HETATM 0 H172 OLA A 128 1.432 1.246 -0.535 1.00 0.00 H new HETATM 0 H171 OLA A 128 2.398 1.199 0.927 1.00 0.00 H new HETATM 0 H162 OLA A 128 -0.421 2.325 0.939 1.00 0.00 H new HETATM 0 H161 OLA A 128 0.947 3.308 0.457 1.00 0.00 H new HETATM 0 H152 OLA A 128 2.019 2.790 2.717 1.00 0.00 H new HETATM 0 H151 OLA A 128 0.529 1.993 3.182 1.00 0.00 H new HETATM 0 H142 OLA A 128 -0.738 4.099 2.804 1.00 0.00 H new HETATM 0 H141 OLA A 128 0.730 4.903 2.283 1.00 0.00 H new HETATM 0 H132 OLA A 128 1.711 4.612 4.563 1.00 0.00 H new HETATM 0 H131 OLA A 128 0.260 3.780 5.088 1.00 0.00 H new HETATM 0 H122 OLA A 128 -1.109 5.779 4.672 1.00 0.00 H new HETATM 0 H121 OLA A 128 0.252 6.614 3.951 1.00 0.00 H new HETATM 0 H112 OLA A 128 1.423 6.637 6.145 1.00 0.00 H new HETATM 0 H111 OLA A 128 0.095 5.758 6.876 1.00 0.00 H new HETATM 0 HO2 OLA A 128 7.759 10.257 14.348 1.00 0.00 H new HETATM 0 H9 OLA A 128 -0.936 9.410 7.531 1.00 0.00 H new HETATM 0 H82 OLA A 128 0.555 7.074 8.847 1.00 0.00 H new HETATM 0 H81 OLA A 128 -0.237 8.410 9.659 1.00 0.00 H new HETATM 0 H72 OLA A 128 1.562 9.964 8.810 1.00 0.00 H new HETATM 0 H71 OLA A 128 2.366 8.599 8.059 1.00 0.00 H new HETATM 0 H62 OLA A 128 2.642 7.514 10.286 1.00 0.00 H new HETATM 0 H61 OLA A 128 1.797 8.844 11.052 1.00 0.00 H new HETATM 0 H52 OLA A 128 3.576 10.420 10.339 1.00 0.00 H new HETATM 0 H51 OLA A 128 4.407 9.129 9.495 1.00 0.00 H new HETATM 0 H42 OLA A 128 5.579 9.407 11.547 1.00 0.00 H new HETATM 0 H41 OLA A 128 4.649 7.934 11.734 1.00 0.00 H new HETATM 0 H32 OLA A 128 2.923 9.181 13.023 1.00 0.00 H new HETATM 0 H31 OLA A 128 3.840 10.661 12.826 1.00 0.00 H new HETATM 0 H22 OLA A 128 5.029 8.226 14.194 1.00 0.00 H new HETATM 0 H21 OLA A 128 4.033 9.372 15.069 1.00 0.00 H new HETATM 0 H10 OLA A 128 -0.954 8.208 5.565 1.00 0.00 H new HETATM 2061 C1 OLA A 129 4.740 1.233 -1.879 1.00 0.00 C HETATM 2062 O1 OLA A 129 4.840 1.488 -0.654 1.00 0.00 O HETATM 2063 O2 OLA A 129 5.231 1.998 -2.734 1.00 0.00 O HETATM 2064 C2 OLA A 129 4.496 -0.206 -2.316 1.00 0.00 C HETATM 2065 C3 OLA A 129 3.364 -0.944 -1.569 1.00 0.00 C HETATM 2066 C4 OLA A 129 3.337 -2.452 -1.876 1.00 0.00 C HETATM 2067 C5 OLA A 129 2.234 -3.240 -1.133 1.00 0.00 C HETATM 2068 C6 OLA A 129 0.823 -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 -1.667 -3.506 -1.533 1.00 0.00 C HETATM 2071 C9 OLA A 129 -2.804 -4.020 -0.676 1.00 0.00 C HETATM 2072 C10 OLA A 129 -3.429 -3.367 0.313 1.00 0.00 C HETATM 2073 C11 OLA A 129 -3.142 -1.977 0.852 1.00 0.00 C HETATM 2074 C12 OLA A 129 -2.486 -2.024 2.249 1.00 0.00 C HETATM 2075 C13 OLA A 129 -2.415 -0.643 2.927 1.00 0.00 C HETATM 2076 C14 OLA A 129 -1.923 -0.719 4.387 1.00 0.00 C HETATM 2077 C15 OLA A 129 -1.782 0.632 5.130 1.00 0.00 C HETATM 2078 C16 OLA A 129 -3.050 1.519 5.188 1.00 0.00 C HETATM 2079 C17 OLA A 129 -3.085 2.625 4.115 1.00 0.00 C HETATM 2080 C18 OLA A 129 -4.449 3.323 4.014 1.00 0.00 C HETATM 0 H183 OLA A 129 -5.214 2.590 3.758 1.00 0.00 H new HETATM 0 H182 OLA A 129 -4.694 3.784 4.971 1.00 0.00 H new HETATM 0 H181 OLA A 129 -4.408 4.091 3.241 1.00 0.00 H new HETATM 0 H172 OLA A 129 -2.320 3.367 4.342 1.00 0.00 H new HETATM 0 H171 OLA A 129 -2.832 2.192 3.147 1.00 0.00 H new HETATM 0 H162 OLA A 129 -3.930 0.886 5.073 1.00 0.00 H new HETATM 0 H161 OLA A 129 -3.115 1.980 6.174 1.00 0.00 H new HETATM 0 H152 OLA A 129 -1.460 0.429 6.151 1.00 0.00 H new HETATM 0 H151 OLA A 129 -0.986 1.204 4.652 1.00 0.00 H new HETATM 0 H142 OLA A 129 -2.612 -1.349 4.949 1.00 0.00 H new HETATM 0 H141 OLA A 129 -0.954 -1.219 4.397 1.00 0.00 H new HETATM 0 H132 OLA A 129 -1.748 0.003 2.357 1.00 0.00 H new HETATM 0 H131 OLA A 129 -3.402 -0.181 2.904 1.00 0.00 H new HETATM 0 H122 OLA A 129 -3.049 -2.707 2.886 1.00 0.00 H new HETATM 0 H121 OLA A 129 -1.479 -2.430 2.158 1.00 0.00 H new HETATM 0 H112 OLA A 129 -2.486 -1.448 0.161 1.00 0.00 H new HETATM 0 H111 OLA A 129 -4.071 -1.410 0.906 1.00 0.00 H new HETATM 0 HO2 OLA A 129 4.925 1.731 -3.626 1.00 0.00 H new HETATM 0 H9 OLA A 129 -3.152 -5.031 -0.886 1.00 0.00 H new HETATM 0 H82 OLA A 129 -1.823 -2.447 -1.738 1.00 0.00 H new HETATM 0 H81 OLA A 129 -1.680 -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 -0.293 -3.261 0.125 1.00 0.00 H new HETATM 0 H62 OLA A 129 0.621 -1.974 -1.801 1.00 0.00 H new HETATM 0 H61 OLA A 129 0.794 -3.454 -2.724 1.00 0.00 H new HETATM 0 H52 OLA A 129 2.481 -4.301 -1.158 1.00 0.00 H new HETATM 0 H51 OLA A 129 2.229 -2.939 -0.086 1.00 0.00 H new HETATM 0 H42 OLA A 129 3.203 -2.589 -2.949 1.00 0.00 H new HETATM 0 H41 OLA A 129 4.306 -2.879 -1.619 1.00 0.00 H new HETATM 0 H32 OLA A 129 3.486 -0.798 -0.496 1.00 0.00 H new HETATM 0 H31 OLA A 129 2.405 -0.504 -1.844 1.00 0.00 H new HETATM 0 H22 OLA A 129 4.267 -0.210 -3.382 1.00 0.00 H new HETATM 0 H21 OLA A 129 5.421 -0.769 -2.186 1.00 0.00 H new HETATM 0 H10 OLA A 129 -4.249 -3.902 0.792 1.00 0.00 H new