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= 0.976 K(o=2.2,f=-2.5!) USER MOD Set 3.1: A 100 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 113 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 94 THR OG1 : rot -106:sc= 0.999 USER MOD Set 4.2: A 99 LYS NZ :NH3+ -173:sc= 1.86 (180deg=0.556) 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=-0.32) USER MOD Set 6.2: A 64 THR OG1 : rot 180:sc= 0 USER MOD Set 7.1: A 56 SER OG : rot 171:sc= 0.772 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= 0.0806 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= -0.0209 USER MOD Single : A 8 GLN : amide:sc= 0.862 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= -0.0328 (180deg=-0.979) 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=-0.61) USER MOD Single : A 31 LYS NZ :NH3+ 167:sc= 2.37 (180deg=2.09) USER MOD Single : A 33 LYS NZ :NH3+ 145:sc= 1.23 (180deg=-0.37!) USER MOD Single : A 39 SER OG : rot -158:sc= 0.939 USER MOD Single : A 43 GLN : amide:sc= 2.09 K(o=2.1,f=-3.5!) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 LYS NZ :NH3+ -139:sc= 1.29 (180deg=0.886) USER MOD Single : A 49 LYS NZ :NH3+ -146:sc= 1.09 (180deg=-0.531!) USER MOD Single : A 51 THR OG1 : rot 137:sc= 0.994 USER MOD Single : A 53 THR OG1 : rot -93:sc= 1.15 USER MOD Single : A 57 LYS NZ :NH3+ 175:sc= 1.19 (180deg=1.13) USER MOD Single : A 60 GLN : amide:sc= 0.143 K(o=0.14,f=-1.3!) USER MOD Single : A 61 ASN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 69 CYS SG : rot 44:sc= 0.775 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=-0.00509!) USER MOD Single : A 84 GLN : amide:sc= -0.484 X(o=-0.48,f=-0.0038) USER MOD Single : A 89 ASN : amide:sc= 0.471 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=0.315) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 ASN : amide:sc= 0.771 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=-0.00347 USER MOD Single : A 114 THR OG1 : rot -60:sc= 0.834 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 6.691 -10.487 -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 -8.593 1.00 0.00 C ATOM 4 O SER A 2 8.287 -9.025 -8.586 1.00 0.00 O ATOM 5 CB SER A 2 8.936 -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 7.125 -11.946 -9.386 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.853 -11.995 -11.196 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.377 -10.388 -10.732 1.00 0.00 H new ATOM 0 HG SER A 2 10.673 -12.053 -9.747 1.00 0.00 H new ATOM 13 N PHE A 3 6.755 -10.314 -7.560 1.00 0.00 N ATOM 14 CA PHE A 3 6.583 -9.427 -6.368 1.00 0.00 C ATOM 15 C PHE A 3 7.570 -9.605 -5.166 1.00 0.00 C ATOM 16 O PHE A 3 7.457 -8.843 -4.206 1.00 0.00 O ATOM 17 CB PHE A 3 5.098 -9.538 -5.910 1.00 0.00 C ATOM 18 CG PHE A 3 4.088 -8.790 -6.793 1.00 0.00 C ATOM 19 CD1 PHE A 3 3.783 -7.450 -6.530 1.00 0.00 C ATOM 20 CD2 PHE A 3 3.445 -9.449 -7.846 1.00 0.00 C ATOM 21 CE1 PHE A 3 2.846 -6.780 -7.313 1.00 0.00 C ATOM 22 CE2 PHE A 3 2.492 -8.781 -8.608 1.00 0.00 C ATOM 23 CZ PHE A 3 2.193 -7.450 -8.340 1.00 0.00 C ATOM 0 H PHE A 3 6.206 -11.172 -7.511 1.00 0.00 H new ATOM 0 HA PHE A 3 6.850 -8.427 -6.709 1.00 0.00 H new ATOM 0 HB2 PHE A 3 4.821 -10.592 -5.880 1.00 0.00 H new ATOM 0 HB3 PHE A 3 5.018 -9.158 -4.891 1.00 0.00 H new ATOM 0 HD1 PHE A 3 4.275 -6.934 -5.719 1.00 0.00 H new ATOM 0 HD2 PHE A 3 3.689 -10.478 -8.068 1.00 0.00 H new ATOM 0 HE1 PHE A 3 2.627 -5.740 -7.122 1.00 0.00 H new ATOM 0 HE2 PHE A 3 1.984 -9.297 -9.409 1.00 0.00 H new ATOM 0 HZ PHE A 3 1.451 -6.935 -8.932 1.00 0.00 H new ATOM 33 N SER A 4 8.540 -10.538 -5.180 1.00 0.00 N ATOM 34 CA SER A 4 9.498 -10.714 -4.051 1.00 0.00 C ATOM 35 C SER A 4 10.605 -9.605 -4.023 1.00 0.00 C ATOM 36 O SER A 4 11.387 -9.472 -4.975 1.00 0.00 O ATOM 37 CB SER A 4 10.085 -12.143 -4.100 1.00 0.00 C ATOM 38 OG SER A 4 9.080 -13.114 -3.795 1.00 0.00 O ATOM 0 H SER A 4 8.688 -11.185 -5.955 1.00 0.00 H new ATOM 0 HA SER A 4 8.958 -10.594 -3.112 1.00 0.00 H new ATOM 0 HB2 SER A 4 10.497 -12.338 -5.090 1.00 0.00 H new ATOM 0 HB3 SER A 4 10.907 -12.228 -3.390 1.00 0.00 H new ATOM 0 HG SER A 4 9.471 -14.012 -3.833 1.00 0.00 H new ATOM 44 N GLY A 5 10.662 -8.811 -2.939 1.00 0.00 N ATOM 45 CA GLY A 5 11.657 -7.717 -2.792 1.00 0.00 C ATOM 46 C GLY A 5 11.350 -6.701 -1.666 1.00 0.00 C ATOM 47 O GLY A 5 10.257 -6.653 -1.094 1.00 0.00 O ATOM 0 H GLY A 5 10.030 -8.902 -2.144 1.00 0.00 H new ATOM 0 HA2 GLY A 5 12.636 -8.159 -2.605 1.00 0.00 H new ATOM 0 HA3 GLY A 5 11.726 -7.179 -3.738 1.00 0.00 H new ATOM 51 N LYS A 6 12.354 -5.869 -1.371 1.00 0.00 N ATOM 52 CA LYS A 6 12.264 -4.757 -0.379 1.00 0.00 C ATOM 53 C LYS A 6 12.239 -3.422 -1.189 1.00 0.00 C ATOM 54 O LYS A 6 13.267 -2.789 -1.424 1.00 0.00 O ATOM 55 CB LYS A 6 13.487 -4.844 0.571 1.00 0.00 C ATOM 56 CG LYS A 6 13.499 -6.027 1.569 1.00 0.00 C ATOM 57 CD LYS A 6 14.819 -6.086 2.370 1.00 0.00 C ATOM 58 CE LYS A 6 14.966 -7.305 3.304 1.00 0.00 C ATOM 59 NZ LYS A 6 14.089 -7.198 4.502 1.00 0.00 N ATOM 0 H LYS A 6 13.271 -5.938 -1.813 1.00 0.00 H new ATOM 0 HA LYS A 6 11.366 -4.815 0.236 1.00 0.00 H new ATOM 0 HB2 LYS A 6 14.389 -4.901 -0.038 1.00 0.00 H new ATOM 0 HB3 LYS A 6 13.545 -3.916 1.140 1.00 0.00 H new ATOM 0 HG2 LYS A 6 12.660 -5.931 2.258 1.00 0.00 H new ATOM 0 HG3 LYS A 6 13.361 -6.962 1.026 1.00 0.00 H new ATOM 0 HD2 LYS A 6 15.652 -6.084 1.667 1.00 0.00 H new ATOM 0 HD3 LYS A 6 14.904 -5.178 2.967 1.00 0.00 H new ATOM 0 HE2 LYS A 6 14.721 -8.214 2.755 1.00 0.00 H new ATOM 0 HE3 LYS A 6 16.005 -7.395 3.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 14.218 -8.037 5.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 14.340 -6.344 5.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 13.095 -7.138 4.201 1.00 0.00 H new ATOM 73 N TYR A 7 11.053 -2.979 -1.618 1.00 0.00 N ATOM 74 CA TYR A 7 10.905 -1.851 -2.580 1.00 0.00 C ATOM 75 C TYR A 7 10.987 -0.457 -1.882 1.00 0.00 C ATOM 76 O TYR A 7 10.056 -0.069 -1.174 1.00 0.00 O ATOM 77 CB TYR A 7 9.557 -2.011 -3.364 1.00 0.00 C ATOM 78 CG TYR A 7 9.309 -3.295 -4.196 1.00 0.00 C ATOM 79 CD1 TYR A 7 8.955 -4.493 -3.562 1.00 0.00 C ATOM 80 CD2 TYR A 7 9.376 -3.265 -5.595 1.00 0.00 C ATOM 81 CE1 TYR A 7 8.746 -5.651 -4.303 1.00 0.00 C ATOM 82 CE2 TYR A 7 9.141 -4.422 -6.339 1.00 0.00 C ATOM 83 CZ TYR A 7 8.852 -5.619 -5.689 1.00 0.00 C ATOM 84 OH TYR A 7 8.728 -6.783 -6.397 1.00 0.00 O ATOM 0 H TYR A 7 10.165 -3.381 -1.318 1.00 0.00 H new ATOM 0 HA TYR A 7 11.740 -1.891 -3.279 1.00 0.00 H new ATOM 0 HB2 TYR A 7 8.746 -1.928 -2.641 1.00 0.00 H new ATOM 0 HB3 TYR A 7 9.469 -1.161 -4.040 1.00 0.00 H new ATOM 0 HD1 TYR A 7 8.843 -4.517 -2.488 1.00 0.00 H new ATOM 0 HD2 TYR A 7 9.611 -2.340 -6.101 1.00 0.00 H new ATOM 0 HE1 TYR A 7 8.501 -6.576 -3.802 1.00 0.00 H new ATOM 0 HE2 TYR A 7 9.183 -4.389 -7.418 1.00 0.00 H new ATOM 0 HH TYR A 7 9.478 -6.867 -7.022 1.00 0.00 H new ATOM 94 N GLN A 8 12.079 0.312 -2.068 1.00 0.00 N ATOM 95 CA GLN A 8 12.206 1.659 -1.438 1.00 0.00 C ATOM 96 C GLN A 8 11.416 2.780 -2.195 1.00 0.00 C ATOM 97 O GLN A 8 11.485 2.907 -3.423 1.00 0.00 O ATOM 98 CB GLN A 8 13.695 2.026 -1.228 1.00 0.00 C ATOM 99 CG GLN A 8 13.894 3.178 -0.206 1.00 0.00 C ATOM 100 CD GLN A 8 15.330 3.635 0.039 1.00 0.00 C ATOM 101 OE1 GLN A 8 16.306 3.191 -0.558 1.00 0.00 O ATOM 102 NE2 GLN A 8 15.492 4.573 0.936 1.00 0.00 N ATOM 0 H GLN A 8 12.879 0.037 -2.639 1.00 0.00 H new ATOM 0 HA GLN A 8 11.732 1.595 -0.459 1.00 0.00 H new ATOM 0 HB2 GLN A 8 14.236 1.145 -0.885 1.00 0.00 H new ATOM 0 HB3 GLN A 8 14.131 2.316 -2.184 1.00 0.00 H new ATOM 0 HG2 GLN A 8 13.316 4.038 -0.545 1.00 0.00 H new ATOM 0 HG3 GLN A 8 13.469 2.865 0.748 1.00 0.00 H new ATOM 0 HE21 GLN A 8 14.685 4.946 1.435 1.00 0.00 H new ATOM 0 HE22 GLN A 8 16.426 4.932 1.136 1.00 0.00 H new ATOM 111 N LEU A 9 10.709 3.621 -1.422 1.00 0.00 N ATOM 112 CA LEU A 9 9.867 4.724 -1.951 1.00 0.00 C ATOM 113 C LEU A 9 10.678 5.887 -2.599 1.00 0.00 C ATOM 114 O LEU A 9 11.656 6.390 -2.040 1.00 0.00 O ATOM 115 CB LEU A 9 8.942 5.189 -0.790 1.00 0.00 C ATOM 116 CG LEU A 9 7.923 6.325 -1.091 1.00 0.00 C ATOM 117 CD1 LEU A 9 6.901 5.948 -2.177 1.00 0.00 C ATOM 118 CD2 LEU A 9 7.182 6.711 0.197 1.00 0.00 C ATOM 0 H LEU A 9 10.701 3.560 -0.404 1.00 0.00 H new ATOM 0 HA LEU A 9 9.269 4.357 -2.785 1.00 0.00 H new ATOM 0 HB2 LEU A 9 8.384 4.322 -0.438 1.00 0.00 H new ATOM 0 HB3 LEU A 9 9.576 5.516 0.034 1.00 0.00 H new ATOM 0 HG LEU A 9 8.497 7.170 -1.472 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.219 6.782 -2.340 1.00 0.00 H new ATOM 0 HD12 LEU A 9 7.424 5.720 -3.106 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.335 5.074 -1.856 1.00 0.00 H new ATOM 0 HD21 LEU A 9 6.469 7.507 -0.018 1.00 0.00 H new ATOM 0 HD22 LEU A 9 6.650 5.842 0.585 1.00 0.00 H new ATOM 0 HD23 LEU A 9 7.900 7.058 0.940 1.00 0.00 H new ATOM 130 N GLN A 10 10.228 6.310 -3.787 1.00 0.00 N ATOM 131 CA GLN A 10 10.854 7.410 -4.567 1.00 0.00 C ATOM 132 C GLN A 10 9.906 8.642 -4.650 1.00 0.00 C ATOM 133 O GLN A 10 10.258 9.715 -4.155 1.00 0.00 O ATOM 134 CB GLN A 10 11.266 6.860 -5.959 1.00 0.00 C ATOM 135 CG GLN A 10 12.343 5.750 -5.946 1.00 0.00 C ATOM 136 CD GLN A 10 13.793 6.208 -5.717 1.00 0.00 C ATOM 137 OE1 GLN A 10 14.098 7.301 -5.236 1.00 0.00 O ATOM 138 NE2 GLN A 10 14.739 5.360 -6.039 1.00 0.00 N ATOM 0 H GLN A 10 9.414 5.902 -4.246 1.00 0.00 H new ATOM 0 HA GLN A 10 11.754 7.766 -4.066 1.00 0.00 H new ATOM 0 HB2 GLN A 10 10.376 6.472 -6.455 1.00 0.00 H new ATOM 0 HB3 GLN A 10 11.632 7.690 -6.564 1.00 0.00 H new ATOM 0 HG2 GLN A 10 12.084 5.032 -5.168 1.00 0.00 H new ATOM 0 HG3 GLN A 10 12.298 5.219 -6.897 1.00 0.00 H new ATOM 0 HE21 GLN A 10 14.497 4.453 -6.438 1.00 0.00 H new ATOM 0 HE22 GLN A 10 15.717 5.607 -5.891 1.00 0.00 H new ATOM 147 N SER A 11 8.728 8.495 -5.286 1.00 0.00 N ATOM 148 CA SER A 11 7.715 9.580 -5.398 1.00 0.00 C ATOM 149 C SER A 11 6.367 9.177 -4.713 1.00 0.00 C ATOM 150 O SER A 11 5.897 8.041 -4.825 1.00 0.00 O ATOM 151 CB SER A 11 7.560 9.927 -6.897 1.00 0.00 C ATOM 152 OG SER A 11 6.646 11.006 -7.095 1.00 0.00 O ATOM 0 H SER A 11 8.445 7.625 -5.738 1.00 0.00 H new ATOM 0 HA SER A 11 8.044 10.472 -4.864 1.00 0.00 H new ATOM 0 HB2 SER A 11 8.532 10.192 -7.312 1.00 0.00 H new ATOM 0 HB3 SER A 11 7.210 9.049 -7.440 1.00 0.00 H new ATOM 0 HG SER A 11 6.572 11.201 -8.053 1.00 0.00 H new ATOM 158 N GLN A 12 5.753 10.129 -3.990 1.00 0.00 N ATOM 159 CA GLN A 12 4.451 9.928 -3.293 1.00 0.00 C ATOM 160 C GLN A 12 3.503 11.090 -3.731 1.00 0.00 C ATOM 161 O GLN A 12 3.760 12.257 -3.418 1.00 0.00 O ATOM 162 CB GLN A 12 4.746 9.852 -1.769 1.00 0.00 C ATOM 163 CG GLN A 12 3.591 9.289 -0.904 1.00 0.00 C ATOM 164 CD GLN A 12 3.932 8.791 0.511 1.00 0.00 C ATOM 165 OE1 GLN A 12 3.515 7.713 0.930 1.00 0.00 O ATOM 166 NE2 GLN A 12 4.643 9.542 1.317 1.00 0.00 N ATOM 0 H GLN A 12 6.139 11.065 -3.866 1.00 0.00 H new ATOM 0 HA GLN A 12 3.941 9.001 -3.553 1.00 0.00 H new ATOM 0 HB2 GLN A 12 5.629 9.232 -1.616 1.00 0.00 H new ATOM 0 HB3 GLN A 12 4.993 10.852 -1.412 1.00 0.00 H new ATOM 0 HG2 GLN A 12 2.832 10.066 -0.812 1.00 0.00 H new ATOM 0 HG3 GLN A 12 3.136 8.462 -1.450 1.00 0.00 H new ATOM 0 HE21 GLN A 12 5.001 10.441 0.994 1.00 0.00 H new ATOM 0 HE22 GLN A 12 4.838 9.227 2.267 1.00 0.00 H new ATOM 175 N GLU A 13 2.423 10.771 -4.466 1.00 0.00 N ATOM 176 CA GLU A 13 1.540 11.786 -5.106 1.00 0.00 C ATOM 177 C GLU A 13 0.481 12.414 -4.133 1.00 0.00 C ATOM 178 O GLU A 13 0.834 13.277 -3.323 1.00 0.00 O ATOM 179 CB GLU A 13 1.016 11.075 -6.390 1.00 0.00 C ATOM 180 CG GLU A 13 0.276 11.949 -7.432 1.00 0.00 C ATOM 181 CD GLU A 13 -0.424 11.114 -8.495 1.00 0.00 C ATOM 182 OE1 GLU A 13 0.241 10.663 -9.452 1.00 0.00 O ATOM 183 OE2 GLU A 13 -1.641 10.878 -8.353 1.00 0.00 O ATOM 0 H GLU A 13 2.131 9.809 -4.638 1.00 0.00 H new ATOM 0 HA GLU A 13 2.060 12.702 -5.386 1.00 0.00 H new ATOM 0 HB2 GLU A 13 1.865 10.605 -6.886 1.00 0.00 H new ATOM 0 HB3 GLU A 13 0.343 10.275 -6.082 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -0.458 12.574 -6.923 1.00 0.00 H new ATOM 0 HG3 GLU A 13 0.989 12.620 -7.912 1.00 0.00 H new ATOM 190 N ASN A 14 -0.798 11.992 -4.167 1.00 0.00 N ATOM 191 CA ASN A 14 -1.879 12.607 -3.340 1.00 0.00 C ATOM 192 C ASN A 14 -1.941 12.100 -1.859 1.00 0.00 C ATOM 193 O ASN A 14 -2.942 11.540 -1.407 1.00 0.00 O ATOM 194 CB ASN A 14 -3.223 12.433 -4.102 1.00 0.00 C ATOM 195 CG ASN A 14 -3.448 13.350 -5.307 1.00 0.00 C ATOM 196 OD1 ASN A 14 -3.645 14.551 -5.163 1.00 0.00 O ATOM 197 ND2 ASN A 14 -3.455 12.835 -6.513 1.00 0.00 N ATOM 0 H ASN A 14 -1.118 11.225 -4.758 1.00 0.00 H new ATOM 0 HA ASN A 14 -1.654 13.666 -3.217 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -3.291 11.400 -4.442 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -4.038 12.591 -3.396 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -3.623 13.433 -7.322 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -3.292 11.836 -6.642 1.00 0.00 H new ATOM 204 N PHE A 15 -0.873 12.351 -1.083 1.00 0.00 N ATOM 205 CA PHE A 15 -0.833 12.030 0.376 1.00 0.00 C ATOM 206 C PHE A 15 -1.659 13.062 1.223 1.00 0.00 C ATOM 207 O PHE A 15 -2.599 12.666 1.918 1.00 0.00 O ATOM 208 CB PHE A 15 0.659 11.880 0.781 1.00 0.00 C ATOM 209 CG PHE A 15 0.910 11.224 2.149 1.00 0.00 C ATOM 210 CD1 PHE A 15 0.941 12.004 3.306 1.00 0.00 C ATOM 211 CD2 PHE A 15 1.188 9.858 2.243 1.00 0.00 C ATOM 212 CE1 PHE A 15 1.265 11.428 4.532 1.00 0.00 C ATOM 213 CE2 PHE A 15 1.531 9.287 3.465 1.00 0.00 C ATOM 214 CZ PHE A 15 1.565 10.074 4.610 1.00 0.00 C ATOM 0 H PHE A 15 -0.015 12.778 -1.433 1.00 0.00 H new ATOM 0 HA PHE A 15 -1.330 11.084 0.591 1.00 0.00 H new ATOM 0 HB2 PHE A 15 1.168 11.292 0.017 1.00 0.00 H new ATOM 0 HB3 PHE A 15 1.119 12.868 0.782 1.00 0.00 H new ATOM 0 HD1 PHE A 15 0.713 13.058 3.250 1.00 0.00 H new ATOM 0 HD2 PHE A 15 1.136 9.239 1.359 1.00 0.00 H new ATOM 0 HE1 PHE A 15 1.283 12.036 5.425 1.00 0.00 H new ATOM 0 HE2 PHE A 15 1.770 8.235 3.523 1.00 0.00 H new ATOM 0 HZ PHE A 15 1.825 9.633 5.561 1.00 0.00 H new ATOM 224 N GLU A 16 -1.341 14.372 1.129 1.00 0.00 N ATOM 225 CA GLU A 16 -2.111 15.478 1.782 1.00 0.00 C ATOM 226 C GLU A 16 -3.657 15.485 1.516 1.00 0.00 C ATOM 227 O GLU A 16 -4.447 15.548 2.464 1.00 0.00 O ATOM 228 CB GLU A 16 -1.435 16.823 1.365 1.00 0.00 C ATOM 229 CG GLU A 16 -0.304 17.326 2.300 1.00 0.00 C ATOM 230 CD GLU A 16 -0.821 18.062 3.521 1.00 0.00 C ATOM 231 OE1 GLU A 16 -1.252 19.227 3.388 1.00 0.00 O ATOM 232 OE2 GLU A 16 -0.881 17.476 4.620 1.00 0.00 O ATOM 0 H GLU A 16 -0.538 14.704 0.596 1.00 0.00 H new ATOM 0 HA GLU A 16 -2.063 15.321 2.860 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.027 16.707 0.361 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.204 17.593 1.309 1.00 0.00 H new ATOM 0 HG2 GLU A 16 0.296 16.476 2.624 1.00 0.00 H new ATOM 0 HG3 GLU A 16 0.356 17.987 1.738 1.00 0.00 H new ATOM 239 N ALA A 17 -4.080 15.396 0.240 1.00 0.00 N ATOM 240 CA ALA A 17 -5.514 15.286 -0.139 1.00 0.00 C ATOM 241 C ALA A 17 -6.247 13.985 0.344 1.00 0.00 C ATOM 242 O ALA A 17 -7.397 14.071 0.778 1.00 0.00 O ATOM 243 CB ALA A 17 -5.569 15.469 -1.669 1.00 0.00 C ATOM 0 H ALA A 17 -3.445 15.398 -0.558 1.00 0.00 H new ATOM 0 HA ALA A 17 -6.075 16.060 0.384 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -6.603 15.398 -2.007 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -5.168 16.447 -1.933 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -4.976 14.691 -2.150 1.00 0.00 H new ATOM 249 N PHE A 18 -5.597 12.804 0.294 1.00 0.00 N ATOM 250 CA PHE A 18 -6.180 11.526 0.800 1.00 0.00 C ATOM 251 C PHE A 18 -6.290 11.457 2.350 1.00 0.00 C ATOM 252 O PHE A 18 -7.388 11.218 2.856 1.00 0.00 O ATOM 253 CB PHE A 18 -5.372 10.359 0.168 1.00 0.00 C ATOM 254 CG PHE A 18 -5.918 8.935 0.376 1.00 0.00 C ATOM 255 CD1 PHE A 18 -5.573 8.220 1.528 1.00 0.00 C ATOM 256 CD2 PHE A 18 -6.689 8.308 -0.611 1.00 0.00 C ATOM 257 CE1 PHE A 18 -5.976 6.898 1.685 1.00 0.00 C ATOM 258 CE2 PHE A 18 -7.091 6.984 -0.454 1.00 0.00 C ATOM 259 CZ PHE A 18 -6.731 6.281 0.693 1.00 0.00 C ATOM 0 H PHE A 18 -4.659 12.700 -0.094 1.00 0.00 H new ATOM 0 HA PHE A 18 -7.222 11.451 0.489 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -5.299 10.540 -0.904 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -4.358 10.394 0.567 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -4.990 8.698 2.301 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -6.973 8.854 -1.498 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -5.703 6.351 2.576 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -7.681 6.503 -1.220 1.00 0.00 H new ATOM 0 HZ PHE A 18 -7.039 5.253 0.813 1.00 0.00 H new ATOM 269 N MET A 19 -5.191 11.671 3.099 1.00 0.00 N ATOM 270 CA MET A 19 -5.201 11.637 4.587 1.00 0.00 C ATOM 271 C MET A 19 -6.151 12.693 5.253 1.00 0.00 C ATOM 272 O MET A 19 -6.857 12.338 6.201 1.00 0.00 O ATOM 273 CB MET A 19 -3.745 11.661 5.105 1.00 0.00 C ATOM 274 CG MET A 19 -2.907 10.383 4.872 1.00 0.00 C ATOM 275 SD MET A 19 -2.702 10.036 3.112 1.00 0.00 S ATOM 276 CE MET A 19 -2.295 8.286 3.128 1.00 0.00 C ATOM 0 H MET A 19 -4.274 11.872 2.700 1.00 0.00 H new ATOM 0 HA MET A 19 -5.654 10.698 4.904 1.00 0.00 H new ATOM 0 HB2 MET A 19 -3.229 12.497 4.633 1.00 0.00 H new ATOM 0 HB3 MET A 19 -3.768 11.863 6.176 1.00 0.00 H new ATOM 0 HG2 MET A 19 -1.928 10.499 5.337 1.00 0.00 H new ATOM 0 HG3 MET A 19 -3.392 9.536 5.357 1.00 0.00 H new ATOM 0 HE1 MET A 19 -2.772 7.794 2.280 1.00 0.00 H new ATOM 0 HE2 MET A 19 -1.214 8.163 3.058 1.00 0.00 H new ATOM 0 HE3 MET A 19 -2.652 7.838 4.055 1.00 0.00 H new ATOM 286 N LYS A 20 -6.228 13.949 4.753 1.00 0.00 N ATOM 287 CA LYS A 20 -7.292 14.907 5.179 1.00 0.00 C ATOM 288 C LYS A 20 -8.741 14.450 4.768 1.00 0.00 C ATOM 289 O LYS A 20 -9.637 14.547 5.611 1.00 0.00 O ATOM 290 CB LYS A 20 -6.962 16.353 4.713 1.00 0.00 C ATOM 291 CG LYS A 20 -5.983 17.115 5.642 1.00 0.00 C ATOM 292 CD LYS A 20 -5.807 18.607 5.267 1.00 0.00 C ATOM 293 CE LYS A 20 -4.674 18.908 4.264 1.00 0.00 C ATOM 294 NZ LYS A 20 -3.374 19.020 4.974 1.00 0.00 N ATOM 0 H LYS A 20 -5.578 14.325 4.063 1.00 0.00 H new ATOM 0 HA LYS A 20 -7.297 14.909 6.269 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -6.535 16.311 3.711 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.890 16.919 4.640 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -6.342 17.047 6.669 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -5.010 16.624 5.612 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.745 18.972 4.850 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -5.622 19.174 6.179 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -4.621 18.117 3.516 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -4.887 19.835 3.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -2.678 19.481 4.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.498 19.587 5.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -3.035 18.071 5.229 1.00 0.00 H new ATOM 308 N ALA A 21 -8.992 13.930 3.539 1.00 0.00 N ATOM 309 CA ALA A 21 -10.316 13.350 3.165 1.00 0.00 C ATOM 310 C ALA A 21 -10.799 12.128 4.024 1.00 0.00 C ATOM 311 O ALA A 21 -11.989 12.051 4.337 1.00 0.00 O ATOM 312 CB ALA A 21 -10.267 13.012 1.663 1.00 0.00 C ATOM 0 H ALA A 21 -8.300 13.899 2.790 1.00 0.00 H new ATOM 0 HA ALA A 21 -11.072 14.104 3.385 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.221 12.585 1.355 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -10.075 13.920 1.092 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.470 12.291 1.478 1.00 0.00 H new ATOM 318 N ILE A 22 -9.906 11.195 4.420 1.00 0.00 N ATOM 319 CA ILE A 22 -10.261 10.058 5.337 1.00 0.00 C ATOM 320 C ILE A 22 -10.260 10.399 6.879 1.00 0.00 C ATOM 321 O ILE A 22 -10.632 9.536 7.680 1.00 0.00 O ATOM 322 CB ILE A 22 -9.451 8.750 5.001 1.00 0.00 C ATOM 323 CG1 ILE A 22 -7.920 8.838 5.262 1.00 0.00 C ATOM 324 CG2 ILE A 22 -9.732 8.243 3.564 1.00 0.00 C ATOM 325 CD1 ILE A 22 -7.192 7.489 5.370 1.00 0.00 C ATOM 0 H ILE A 22 -8.929 11.196 4.126 1.00 0.00 H new ATOM 0 HA ILE A 22 -11.311 9.860 5.123 1.00 0.00 H new ATOM 0 HB ILE A 22 -9.828 8.018 5.715 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -7.464 9.415 4.457 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -7.757 9.395 6.185 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -9.152 7.339 3.377 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -10.794 8.021 3.458 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -9.448 9.012 2.845 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -6.131 7.662 5.552 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -7.613 6.913 6.194 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -7.315 6.934 4.440 1.00 0.00 H new ATOM 337 N GLY A 23 -9.851 11.611 7.307 1.00 0.00 N ATOM 338 CA GLY A 23 -9.873 12.036 8.733 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 -8.714 11.336 10.706 1.00 0.00 O ATOM 0 H GLY A 23 -9.494 12.329 6.676 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -10.119 13.097 8.759 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -10.690 11.507 9.224 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 12.128 9.848 1.00 0.00 C ATOM 346 C LEU A 24 -5.514 13.522 10.254 1.00 0.00 C ATOM 347 O LEU A 24 -5.812 14.536 9.610 1.00 0.00 O ATOM 348 CB LEU A 24 -5.141 11.217 9.063 1.00 0.00 C ATOM 349 CG LEU A 24 -5.029 9.771 9.618 1.00 0.00 C ATOM 350 CD1 LEU A 24 -6.185 8.876 9.144 1.00 0.00 C ATOM 351 CD2 LEU A 24 -3.683 9.146 9.240 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 11.656 10.806 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.454 11.171 8.020 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.153 11.678 9.079 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.094 9.842 10.704 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.063 7.875 9.558 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.132 9.296 9.482 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.180 8.822 8.055 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.627 8.133 9.639 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.589 9.114 8.155 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.874 9.746 9.657 1.00 0.00 H new ATOM 363 N PRO A 25 -4.626 13.622 11.295 1.00 0.00 N ATOM 364 CA PRO A 25 -4.038 14.917 11.735 1.00 0.00 C ATOM 365 C PRO A 25 -2.885 15.468 10.855 1.00 0.00 C ATOM 366 O PRO A 25 -1.938 14.754 10.515 1.00 0.00 O ATOM 367 CB PRO A 25 -3.508 14.600 13.145 1.00 0.00 C ATOM 368 CG PRO A 25 -3.301 13.085 13.192 1.00 0.00 C ATOM 369 CD PRO A 25 -4.195 12.474 12.117 1.00 0.00 C ATOM 0 HA PRO A 25 -4.792 15.702 11.677 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -2.573 15.127 13.337 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -4.217 14.920 13.909 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -2.256 12.834 13.012 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -3.558 12.692 14.176 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -3.653 11.740 11.520 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -5.049 11.959 12.557 1.00 0.00 H new ATOM 377 N GLU A 26 -2.918 16.782 10.598 1.00 0.00 N ATOM 378 CA GLU A 26 -1.876 17.492 9.811 1.00 0.00 C ATOM 379 C GLU A 26 -0.398 17.369 10.323 1.00 0.00 C ATOM 380 O GLU A 26 0.516 17.269 9.502 1.00 0.00 O ATOM 381 CB GLU A 26 -2.362 18.943 9.625 1.00 0.00 C ATOM 382 CG GLU A 26 -3.629 19.118 8.740 1.00 0.00 C ATOM 383 CD GLU A 26 -3.812 20.500 8.143 1.00 0.00 C ATOM 384 OE1 GLU A 26 -4.395 21.377 8.810 1.00 0.00 O ATOM 385 OE2 GLU A 26 -3.411 20.694 6.975 1.00 0.00 O ATOM 0 H GLU A 26 -3.666 17.393 10.927 1.00 0.00 H new ATOM 0 HA GLU A 26 -1.779 16.988 8.849 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -2.565 19.368 10.608 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.551 19.526 9.187 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -3.589 18.391 7.929 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -4.507 18.879 9.339 1.00 0.00 H new ATOM 392 N GLU A 27 -0.180 17.330 11.653 1.00 0.00 N ATOM 393 CA GLU A 27 1.139 17.019 12.284 1.00 0.00 C ATOM 394 C GLU A 27 1.733 15.623 11.869 1.00 0.00 C ATOM 395 O GLU A 27 2.874 15.568 11.399 1.00 0.00 O ATOM 396 CB GLU A 27 0.929 17.233 13.812 1.00 0.00 C ATOM 397 CG GLU A 27 2.123 16.932 14.761 1.00 0.00 C ATOM 398 CD GLU A 27 2.217 15.509 15.304 1.00 0.00 C ATOM 399 OE1 GLU A 27 1.204 14.978 15.803 1.00 0.00 O ATOM 400 OE2 GLU A 27 3.320 14.925 15.267 1.00 0.00 O ATOM 0 H GLU A 27 -0.916 17.514 12.335 1.00 0.00 H new ATOM 0 HA GLU A 27 1.923 17.684 11.922 1.00 0.00 H new ATOM 0 HB2 GLU A 27 0.633 18.271 13.966 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.089 16.612 14.124 1.00 0.00 H new ATOM 0 HG2 GLU A 27 3.047 17.156 14.229 1.00 0.00 H new ATOM 0 HG3 GLU A 27 2.068 17.617 15.607 1.00 0.00 H new ATOM 407 N LEU A 28 0.967 14.516 11.984 1.00 0.00 N ATOM 408 CA LEU A 28 1.413 13.176 11.490 1.00 0.00 C ATOM 409 C LEU A 28 1.500 13.072 9.920 1.00 0.00 C ATOM 410 O LEU A 28 2.416 12.433 9.395 1.00 0.00 O ATOM 411 CB LEU A 28 0.552 12.031 12.101 1.00 0.00 C ATOM 412 CG LEU A 28 0.338 11.975 13.644 1.00 0.00 C ATOM 413 CD1 LEU A 28 -0.515 10.749 14.021 1.00 0.00 C ATOM 414 CD2 LEU A 28 1.627 11.947 14.479 1.00 0.00 C ATOM 0 H LEU A 28 0.041 14.514 12.411 1.00 0.00 H new ATOM 0 HA LEU A 28 2.437 13.054 11.842 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.433 12.078 11.636 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.003 11.086 11.799 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.169 12.909 13.886 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.656 10.722 15.101 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.486 10.816 13.530 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.007 9.840 13.699 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.373 11.908 15.538 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.213 11.067 14.214 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.210 12.846 14.278 1.00 0.00 H new ATOM 426 N ILE A 29 0.585 13.725 9.168 1.00 0.00 N ATOM 427 CA ILE A 29 0.626 13.816 7.670 1.00 0.00 C ATOM 428 C ILE A 29 1.923 14.551 7.174 1.00 0.00 C ATOM 429 O ILE A 29 2.635 14.021 6.316 1.00 0.00 O ATOM 430 CB ILE A 29 -0.700 14.429 7.085 1.00 0.00 C ATOM 431 CG1 ILE A 29 -1.981 13.658 7.510 1.00 0.00 C ATOM 432 CG2 ILE A 29 -0.694 14.508 5.535 1.00 0.00 C ATOM 433 CD1 ILE A 29 -3.312 14.403 7.279 1.00 0.00 C ATOM 0 H ILE A 29 -0.213 14.211 9.576 1.00 0.00 H new ATOM 0 HA ILE A 29 0.683 12.802 7.275 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.727 15.432 7.510 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.014 12.714 6.965 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -1.901 13.412 8.569 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -1.634 14.939 5.189 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.135 15.134 5.206 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -0.579 13.507 5.120 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -4.141 13.777 7.609 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -3.311 15.334 7.846 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -3.425 14.625 6.218 1.00 0.00 H new ATOM 445 N GLN A 30 2.248 15.735 7.732 1.00 0.00 N ATOM 446 CA GLN A 30 3.544 16.439 7.478 1.00 0.00 C ATOM 447 C GLN A 30 4.842 15.625 7.815 1.00 0.00 C ATOM 448 O GLN A 30 5.881 15.869 7.196 1.00 0.00 O ATOM 449 CB GLN A 30 3.499 17.829 8.184 1.00 0.00 C ATOM 450 CG GLN A 30 2.976 19.037 7.350 1.00 0.00 C ATOM 451 CD GLN A 30 1.865 18.814 6.313 1.00 0.00 C ATOM 452 OE1 GLN A 30 2.114 18.820 5.111 1.00 0.00 O ATOM 453 NE2 GLN A 30 0.643 18.584 6.723 1.00 0.00 N ATOM 0 H GLN A 30 1.630 16.237 8.370 1.00 0.00 H new ATOM 0 HA GLN A 30 3.631 16.565 6.399 1.00 0.00 H new ATOM 0 HB2 GLN A 30 2.874 17.736 9.072 1.00 0.00 H new ATOM 0 HB3 GLN A 30 4.506 18.066 8.526 1.00 0.00 H new ATOM 0 HG2 GLN A 30 2.620 19.790 8.053 1.00 0.00 H new ATOM 0 HG3 GLN A 30 3.830 19.467 6.827 1.00 0.00 H new ATOM 0 HE21 GLN A 30 0.433 18.578 7.721 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -0.098 18.411 6.044 1.00 0.00 H new ATOM 462 N LYS A 31 4.784 14.659 8.751 1.00 0.00 N ATOM 463 CA LYS A 31 5.903 13.720 9.020 1.00 0.00 C ATOM 464 C LYS A 31 6.005 12.601 7.930 1.00 0.00 C ATOM 465 O LYS A 31 7.046 12.494 7.279 1.00 0.00 O ATOM 466 CB LYS A 31 5.716 13.152 10.449 1.00 0.00 C ATOM 467 CG LYS A 31 6.115 14.112 11.591 1.00 0.00 C ATOM 468 CD LYS A 31 5.689 13.532 12.949 1.00 0.00 C ATOM 469 CE LYS A 31 6.280 14.286 14.149 1.00 0.00 C ATOM 470 NZ LYS A 31 5.641 13.728 15.364 1.00 0.00 N ATOM 0 H LYS A 31 3.967 14.503 9.342 1.00 0.00 H new ATOM 0 HA LYS A 31 6.855 14.249 8.967 1.00 0.00 H new ATOM 0 HB2 LYS A 31 4.670 12.872 10.578 1.00 0.00 H new ATOM 0 HB3 LYS A 31 6.304 12.239 10.540 1.00 0.00 H new ATOM 0 HG2 LYS A 31 7.193 14.274 11.579 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.645 15.084 11.439 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.601 13.551 13.018 1.00 0.00 H new ATOM 0 HD3 LYS A 31 5.994 12.487 13.001 1.00 0.00 H new ATOM 0 HE2 LYS A 31 7.362 14.161 14.189 1.00 0.00 H new ATOM 0 HE3 LYS A 31 6.086 15.355 14.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 6.161 14.046 16.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 4.656 14.057 15.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 5.657 12.689 15.319 1.00 0.00 H new ATOM 484 N GLY A 32 4.949 11.788 7.707 1.00 0.00 N ATOM 485 CA GLY A 32 4.977 10.710 6.677 1.00 0.00 C ATOM 486 C GLY A 32 4.923 11.052 5.166 1.00 0.00 C ATOM 487 O GLY A 32 5.105 10.134 4.362 1.00 0.00 O ATOM 0 H GLY A 32 4.069 11.852 8.219 1.00 0.00 H new ATOM 0 HA2 GLY A 32 5.887 10.133 6.842 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.137 10.047 6.885 1.00 0.00 H new ATOM 491 N LYS A 33 4.688 12.313 4.762 1.00 0.00 N ATOM 492 CA LYS A 33 4.637 12.706 3.322 1.00 0.00 C ATOM 493 C LYS A 33 5.964 12.619 2.487 1.00 0.00 C ATOM 494 O LYS A 33 5.914 12.186 1.332 1.00 0.00 O ATOM 495 CB LYS A 33 3.951 14.096 3.197 1.00 0.00 C ATOM 496 CG LYS A 33 4.692 15.303 3.827 1.00 0.00 C ATOM 497 CD LYS A 33 4.050 16.672 3.541 1.00 0.00 C ATOM 498 CE LYS A 33 4.322 17.235 2.130 1.00 0.00 C ATOM 499 NZ LYS A 33 5.709 17.767 1.995 1.00 0.00 N ATOM 0 H LYS A 33 4.529 13.087 5.406 1.00 0.00 H new ATOM 0 HA LYS A 33 4.043 11.926 2.845 1.00 0.00 H new ATOM 0 HB2 LYS A 33 3.800 14.306 2.138 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.963 14.029 3.653 1.00 0.00 H new ATOM 0 HG2 LYS A 33 4.742 15.158 4.906 1.00 0.00 H new ATOM 0 HG3 LYS A 33 5.718 15.314 3.459 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.972 16.588 3.681 1.00 0.00 H new ATOM 0 HD3 LYS A 33 4.413 17.388 4.278 1.00 0.00 H new ATOM 0 HE2 LYS A 33 4.162 16.451 1.390 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.607 18.029 1.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 6.059 17.584 1.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 5.707 18.792 2.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 6.330 17.297 2.684 1.00 0.00 H new ATOM 513 N ASP A 34 7.117 13.020 3.053 1.00 0.00 N ATOM 514 CA ASP A 34 8.426 13.071 2.323 1.00 0.00 C ATOM 515 C ASP A 34 9.479 11.954 2.687 1.00 0.00 C ATOM 516 O ASP A 34 10.562 11.923 2.092 1.00 0.00 O ATOM 517 CB ASP A 34 9.038 14.488 2.541 1.00 0.00 C ATOM 518 CG ASP A 34 8.204 15.694 2.092 1.00 0.00 C ATOM 519 OD1 ASP A 34 7.886 15.831 0.894 1.00 0.00 O ATOM 520 OD2 ASP A 34 7.814 16.509 2.956 1.00 0.00 O ATOM 0 H ASP A 34 7.182 13.320 4.026 1.00 0.00 H new ATOM 0 HA ASP A 34 8.198 12.867 1.277 1.00 0.00 H new ATOM 0 HB2 ASP A 34 9.251 14.603 3.604 1.00 0.00 H new ATOM 0 HB3 ASP A 34 9.994 14.526 2.018 1.00 0.00 H new ATOM 525 N ILE A 35 9.195 11.023 3.624 1.00 0.00 N ATOM 526 CA ILE A 35 10.162 9.972 4.073 1.00 0.00 C ATOM 527 C ILE A 35 10.282 8.833 3.001 1.00 0.00 C ATOM 528 O ILE A 35 9.327 8.084 2.768 1.00 0.00 O ATOM 529 CB ILE A 35 9.768 9.441 5.508 1.00 0.00 C ATOM 530 CG1 ILE A 35 9.820 10.543 6.614 1.00 0.00 C ATOM 531 CG2 ILE A 35 10.639 8.239 5.977 1.00 0.00 C ATOM 532 CD1 ILE A 35 9.101 10.204 7.934 1.00 0.00 C ATOM 0 H ILE A 35 8.292 10.971 4.096 1.00 0.00 H new ATOM 0 HA ILE A 35 11.156 10.409 4.164 1.00 0.00 H new ATOM 0 HB ILE A 35 8.737 9.111 5.384 1.00 0.00 H new ATOM 0 HG12 ILE A 35 10.865 10.758 6.837 1.00 0.00 H new ATOM 0 HG13 ILE A 35 9.385 11.457 6.210 1.00 0.00 H new ATOM 0 HG21 ILE A 35 10.318 7.922 6.969 1.00 0.00 H new ATOM 0 HG22 ILE A 35 10.524 7.411 5.277 1.00 0.00 H new ATOM 0 HG23 ILE A 35 11.686 8.541 6.014 1.00 0.00 H new ATOM 0 HD11 ILE A 35 9.201 11.039 8.628 1.00 0.00 H new ATOM 0 HD12 ILE A 35 8.045 10.021 7.736 1.00 0.00 H new ATOM 0 HD13 ILE A 35 9.548 9.312 8.373 1.00 0.00 H new ATOM 544 N LYS A 36 11.481 8.655 2.406 1.00 0.00 N ATOM 545 CA LYS A 36 11.743 7.550 1.434 1.00 0.00 C ATOM 546 C LYS A 36 11.999 6.176 2.154 1.00 0.00 C ATOM 547 O LYS A 36 13.127 5.674 2.216 1.00 0.00 O ATOM 548 CB LYS A 36 12.923 7.941 0.497 1.00 0.00 C ATOM 549 CG LYS A 36 12.646 9.045 -0.552 1.00 0.00 C ATOM 550 CD LYS A 36 13.709 9.024 -1.675 1.00 0.00 C ATOM 551 CE LYS A 36 13.449 10.071 -2.770 1.00 0.00 C ATOM 552 NZ LYS A 36 14.331 9.801 -3.940 1.00 0.00 N ATOM 0 H LYS A 36 12.287 9.257 2.576 1.00 0.00 H new ATOM 0 HA LYS A 36 10.849 7.410 0.827 1.00 0.00 H new ATOM 0 HB2 LYS A 36 13.757 8.265 1.119 1.00 0.00 H new ATOM 0 HB3 LYS A 36 13.249 7.045 -0.031 1.00 0.00 H new ATOM 0 HG2 LYS A 36 11.655 8.902 -0.982 1.00 0.00 H new ATOM 0 HG3 LYS A 36 12.645 10.021 -0.066 1.00 0.00 H new ATOM 0 HD2 LYS A 36 14.693 9.199 -1.239 1.00 0.00 H new ATOM 0 HD3 LYS A 36 13.732 8.032 -2.127 1.00 0.00 H new ATOM 0 HE2 LYS A 36 12.403 10.040 -3.076 1.00 0.00 H new ATOM 0 HE3 LYS A 36 13.638 11.072 -2.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 14.142 10.500 -4.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 15.327 9.868 -3.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 14.141 8.846 -4.305 1.00 0.00 H new ATOM 566 N GLY A 37 10.929 5.560 2.682 1.00 0.00 N ATOM 567 CA GLY A 37 11.023 4.264 3.405 1.00 0.00 C ATOM 568 C GLY A 37 10.925 2.989 2.535 1.00 0.00 C ATOM 569 O GLY A 37 10.686 3.030 1.327 1.00 0.00 O ATOM 0 H GLY A 37 9.982 5.934 2.626 1.00 0.00 H new ATOM 0 HA2 GLY A 37 11.971 4.240 3.943 1.00 0.00 H new ATOM 0 HA3 GLY A 37 10.231 4.230 4.153 1.00 0.00 H new ATOM 573 N VAL A 38 11.112 1.834 3.185 1.00 0.00 N ATOM 574 CA VAL A 38 11.042 0.497 2.518 1.00 0.00 C ATOM 575 C VAL A 38 9.576 -0.067 2.543 1.00 0.00 C ATOM 576 O VAL A 38 8.855 0.039 3.544 1.00 0.00 O ATOM 577 CB VAL A 38 12.098 -0.474 3.163 1.00 0.00 C ATOM 578 CG1 VAL A 38 12.063 -1.916 2.601 1.00 0.00 C ATOM 579 CG2 VAL A 38 13.562 0.011 2.999 1.00 0.00 C ATOM 0 H VAL A 38 11.316 1.783 4.183 1.00 0.00 H new ATOM 0 HA VAL A 38 11.302 0.597 1.464 1.00 0.00 H new ATOM 0 HB VAL A 38 11.800 -0.472 4.211 1.00 0.00 H new ATOM 0 HG11 VAL A 38 12.822 -2.519 3.099 1.00 0.00 H new ATOM 0 HG12 VAL A 38 11.080 -2.352 2.778 1.00 0.00 H new ATOM 0 HG13 VAL A 38 12.263 -1.894 1.530 1.00 0.00 H new ATOM 0 HG21 VAL A 38 14.237 -0.706 3.467 1.00 0.00 H new ATOM 0 HG22 VAL A 38 13.801 0.096 1.939 1.00 0.00 H new ATOM 0 HG23 VAL A 38 13.679 0.984 3.476 1.00 0.00 H new ATOM 589 N SER A 39 9.164 -0.683 1.426 1.00 0.00 N ATOM 590 CA SER A 39 7.865 -1.389 1.293 1.00 0.00 C ATOM 591 C SER A 39 8.170 -2.831 0.798 1.00 0.00 C ATOM 592 O SER A 39 8.370 -3.098 -0.391 1.00 0.00 O ATOM 593 CB SER A 39 6.943 -0.656 0.308 1.00 0.00 C ATOM 594 OG SER A 39 6.437 0.565 0.846 1.00 0.00 O ATOM 0 H SER A 39 9.725 -0.710 0.574 1.00 0.00 H new ATOM 0 HA SER A 39 7.347 -1.417 2.251 1.00 0.00 H new ATOM 0 HB2 SER A 39 7.490 -0.446 -0.611 1.00 0.00 H new ATOM 0 HB3 SER A 39 6.110 -1.306 0.041 1.00 0.00 H new ATOM 0 HG SER A 39 5.615 0.814 0.375 1.00 0.00 H new ATOM 600 N GLU A 40 8.225 -3.764 1.745 1.00 0.00 N ATOM 601 CA GLU A 40 8.542 -5.188 1.468 1.00 0.00 C ATOM 602 C GLU A 40 7.318 -6.024 1.006 1.00 0.00 C ATOM 603 O GLU A 40 6.189 -5.786 1.443 1.00 0.00 O ATOM 604 CB GLU A 40 9.120 -5.768 2.782 1.00 0.00 C ATOM 605 CG GLU A 40 9.784 -7.165 2.707 1.00 0.00 C ATOM 606 CD GLU A 40 10.372 -7.614 4.032 1.00 0.00 C ATOM 607 OE1 GLU A 40 9.607 -7.855 4.992 1.00 0.00 O ATOM 608 OE2 GLU A 40 11.612 -7.715 4.122 1.00 0.00 O ATOM 0 H GLU A 40 8.053 -3.568 2.731 1.00 0.00 H new ATOM 0 HA GLU A 40 9.248 -5.240 0.639 1.00 0.00 H new ATOM 0 HB2 GLU A 40 9.858 -5.064 3.167 1.00 0.00 H new ATOM 0 HB3 GLU A 40 8.313 -5.816 3.514 1.00 0.00 H new ATOM 0 HG2 GLU A 40 9.045 -7.895 2.378 1.00 0.00 H new ATOM 0 HG3 GLU A 40 10.572 -7.147 1.954 1.00 0.00 H new ATOM 615 N ILE A 41 7.562 -7.022 0.145 1.00 0.00 N ATOM 616 CA ILE A 41 6.536 -8.032 -0.239 1.00 0.00 C ATOM 617 C ILE A 41 7.299 -9.393 -0.443 1.00 0.00 C ATOM 618 O ILE A 41 8.301 -9.451 -1.166 1.00 0.00 O ATOM 619 CB ILE A 41 5.693 -7.678 -1.523 1.00 0.00 C ATOM 620 CG1 ILE A 41 5.067 -6.253 -1.571 1.00 0.00 C ATOM 621 CG2 ILE A 41 4.568 -8.724 -1.765 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 8.465 -7.161 -0.308 1.00 0.00 H new ATOM 0 HA ILE A 41 5.794 -8.076 0.558 1.00 0.00 H new ATOM 0 HB ILE A 41 6.440 -7.701 -2.317 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.229 -6.212 -0.875 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.806 -5.531 -1.223 1.00 0.00 H new ATOM 0 HG21 ILE A 41 4.004 -8.452 -2.657 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.012 -9.710 -1.902 1.00 0.00 H new ATOM 0 HG23 ILE A 41 3.898 -8.744 -0.905 1.00 0.00 H new ATOM 0 HD11 ILE A 41 4.155 -4.827 -2.916 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.415 -5.837 -3.664 1.00 0.00 H new ATOM 0 HD13 ILE A 41 3.814 -6.529 -3.311 1.00 0.00 H new ATOM 634 N VAL A 42 6.803 -10.492 0.155 1.00 0.00 N ATOM 635 CA VAL A 42 7.360 -11.868 -0.052 1.00 0.00 C ATOM 636 C VAL A 42 6.239 -12.694 -0.770 1.00 0.00 C ATOM 637 O VAL A 42 5.243 -13.070 -0.137 1.00 0.00 O ATOM 638 CB VAL A 42 7.831 -12.578 1.271 1.00 0.00 C ATOM 639 CG1 VAL A 42 8.683 -13.835 0.979 1.00 0.00 C ATOM 640 CG2 VAL A 42 8.623 -11.708 2.272 1.00 0.00 C ATOM 0 H VAL A 42 6.009 -10.466 0.795 1.00 0.00 H new ATOM 0 HA VAL A 42 8.268 -11.798 -0.652 1.00 0.00 H new ATOM 0 HB VAL A 42 6.882 -12.828 1.745 1.00 0.00 H new ATOM 0 HG11 VAL A 42 8.987 -14.295 1.919 1.00 0.00 H new ATOM 0 HG12 VAL A 42 8.094 -14.547 0.401 1.00 0.00 H new ATOM 0 HG13 VAL A 42 9.569 -13.550 0.411 1.00 0.00 H new ATOM 0 HG21 VAL A 42 8.892 -12.307 3.142 1.00 0.00 H new ATOM 0 HG22 VAL A 42 9.529 -11.336 1.794 1.00 0.00 H new ATOM 0 HG23 VAL A 42 8.008 -10.865 2.588 1.00 0.00 H new ATOM 650 N GLN A 43 6.394 -12.997 -2.073 1.00 0.00 N ATOM 651 CA GLN A 43 5.371 -13.752 -2.853 1.00 0.00 C ATOM 652 C GLN A 43 5.445 -15.297 -2.608 1.00 0.00 C ATOM 653 O GLN A 43 6.336 -15.976 -3.127 1.00 0.00 O ATOM 654 CB GLN A 43 5.551 -13.353 -4.346 1.00 0.00 C ATOM 655 CG GLN A 43 4.475 -13.922 -5.310 1.00 0.00 C ATOM 656 CD GLN A 43 4.555 -13.458 -6.774 1.00 0.00 C ATOM 657 OE1 GLN A 43 5.517 -12.856 -7.241 1.00 0.00 O ATOM 658 NE2 GLN A 43 3.533 -13.745 -7.545 1.00 0.00 N ATOM 0 H GLN A 43 7.216 -12.734 -2.616 1.00 0.00 H new ATOM 0 HA GLN A 43 4.367 -13.487 -2.521 1.00 0.00 H new ATOM 0 HB2 GLN A 43 5.545 -12.265 -4.419 1.00 0.00 H new ATOM 0 HB3 GLN A 43 6.532 -13.689 -4.681 1.00 0.00 H new ATOM 0 HG2 GLN A 43 4.541 -15.010 -5.292 1.00 0.00 H new ATOM 0 HG3 GLN A 43 3.492 -13.656 -4.920 1.00 0.00 H new ATOM 0 HE21 GLN A 43 2.730 -14.245 -7.163 1.00 0.00 H new ATOM 0 HE22 GLN A 43 3.541 -13.468 -8.527 1.00 0.00 H new ATOM 667 N ASN A 44 4.488 -15.851 -1.840 1.00 0.00 N ATOM 668 CA ASN A 44 4.417 -17.317 -1.549 1.00 0.00 C ATOM 669 C ASN A 44 3.129 -17.929 -2.203 1.00 0.00 C ATOM 670 O ASN A 44 2.201 -18.368 -1.509 1.00 0.00 O ATOM 671 CB ASN A 44 4.470 -17.547 -0.007 1.00 0.00 C ATOM 672 CG ASN A 44 5.722 -17.077 0.743 1.00 0.00 C ATOM 673 OD1 ASN A 44 6.699 -17.799 0.900 1.00 0.00 O ATOM 674 ND2 ASN A 44 5.729 -15.869 1.252 1.00 0.00 N ATOM 0 H ASN A 44 3.743 -15.310 -1.402 1.00 0.00 H new ATOM 0 HA ASN A 44 5.274 -17.829 -1.986 1.00 0.00 H new ATOM 0 HB2 ASN A 44 3.608 -17.049 0.436 1.00 0.00 H new ATOM 0 HB3 ASN A 44 4.351 -18.615 0.177 1.00 0.00 H new ATOM 0 HD21 ASN A 44 6.542 -15.539 1.772 1.00 0.00 H new ATOM 0 HD22 ASN A 44 4.921 -15.259 1.128 1.00 0.00 H new ATOM 681 N GLY A 45 3.063 -17.954 -3.553 1.00 0.00 N ATOM 682 CA GLY A 45 1.866 -18.436 -4.304 1.00 0.00 C ATOM 683 C GLY A 45 0.625 -17.526 -4.140 1.00 0.00 C ATOM 684 O GLY A 45 0.491 -16.515 -4.831 1.00 0.00 O ATOM 0 H GLY A 45 3.827 -17.645 -4.154 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.116 -18.508 -5.362 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.616 -19.442 -3.966 1.00 0.00 H new ATOM 688 N LYS A 46 -0.265 -17.902 -3.212 1.00 0.00 N ATOM 689 CA LYS A 46 -1.414 -17.050 -2.794 1.00 0.00 C ATOM 690 C LYS A 46 -1.059 -16.046 -1.637 1.00 0.00 C ATOM 691 O LYS A 46 -1.613 -14.946 -1.630 1.00 0.00 O ATOM 692 CB LYS A 46 -2.605 -17.960 -2.370 1.00 0.00 C ATOM 693 CG LYS A 46 -3.300 -18.757 -3.504 1.00 0.00 C ATOM 694 CD LYS A 46 -4.378 -19.761 -3.008 1.00 0.00 C ATOM 695 CE LYS A 46 -5.862 -19.358 -3.163 1.00 0.00 C ATOM 696 NZ LYS A 46 -6.240 -18.224 -2.279 1.00 0.00 N ATOM 0 H LYS A 46 -0.220 -18.797 -2.726 1.00 0.00 H new ATOM 0 HA LYS A 46 -1.688 -16.439 -3.654 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.245 -18.669 -1.625 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -3.354 -17.337 -1.881 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -3.765 -18.054 -4.195 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -2.542 -19.303 -4.066 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -4.229 -20.702 -3.538 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -4.193 -19.957 -1.952 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -6.054 -19.085 -4.201 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -6.494 -20.217 -2.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -7.181 -18.400 -1.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -5.542 -18.133 -1.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -6.262 -17.344 -2.833 1.00 0.00 H new ATOM 710 N HIS A 47 -0.187 -16.401 -0.666 1.00 0.00 N ATOM 711 CA HIS A 47 0.141 -15.543 0.509 1.00 0.00 C ATOM 712 C HIS A 47 1.304 -14.544 0.221 1.00 0.00 C ATOM 713 O HIS A 47 2.464 -14.925 0.039 1.00 0.00 O ATOM 714 CB HIS A 47 0.475 -16.453 1.727 1.00 0.00 C ATOM 715 CG HIS A 47 -0.732 -17.150 2.353 1.00 0.00 C ATOM 716 ND1 HIS A 47 -1.170 -18.412 2.006 1.00 0.00 N ATOM 717 CD2 HIS A 47 -1.595 -16.588 3.306 1.00 0.00 C ATOM 718 CE1 HIS A 47 -2.286 -18.502 2.793 1.00 0.00 C ATOM 719 NE2 HIS A 47 -2.648 -17.448 3.594 1.00 0.00 N ATOM 0 H HIS A 47 0.313 -17.290 -0.670 1.00 0.00 H new ATOM 0 HA HIS A 47 -0.732 -14.930 0.733 1.00 0.00 H new ATOM 0 HB2 HIS A 47 1.192 -17.211 1.411 1.00 0.00 H new ATOM 0 HB3 HIS A 47 0.965 -15.849 2.491 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -1.459 -15.616 3.756 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -2.882 -19.403 2.784 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -3.449 -17.331 4.214 1.00 0.00 H new ATOM 727 N PHE A 48 0.978 -13.248 0.212 1.00 0.00 N ATOM 728 CA PHE A 48 1.948 -12.155 -0.052 1.00 0.00 C ATOM 729 C PHE A 48 2.253 -11.450 1.306 1.00 0.00 C ATOM 730 O PHE A 48 1.442 -10.662 1.805 1.00 0.00 O ATOM 731 CB PHE A 48 1.319 -11.194 -1.095 1.00 0.00 C ATOM 732 CG PHE A 48 1.330 -11.590 -2.589 1.00 0.00 C ATOM 733 CD1 PHE A 48 0.772 -12.789 -3.054 1.00 0.00 C ATOM 734 CD2 PHE A 48 1.795 -10.658 -3.523 1.00 0.00 C ATOM 735 CE1 PHE A 48 0.701 -13.054 -4.420 1.00 0.00 C ATOM 736 CE2 PHE A 48 1.710 -10.918 -4.885 1.00 0.00 C ATOM 737 CZ PHE A 48 1.165 -12.112 -5.333 1.00 0.00 C ATOM 0 H PHE A 48 0.030 -12.915 0.388 1.00 0.00 H new ATOM 0 HA PHE A 48 2.889 -12.521 -0.462 1.00 0.00 H new ATOM 0 HB2 PHE A 48 0.281 -11.031 -0.807 1.00 0.00 H new ATOM 0 HB3 PHE A 48 1.829 -10.235 -1.006 1.00 0.00 H new ATOM 0 HD1 PHE A 48 0.394 -13.513 -2.348 1.00 0.00 H new ATOM 0 HD2 PHE A 48 2.224 -9.727 -3.182 1.00 0.00 H new ATOM 0 HE1 PHE A 48 0.287 -13.988 -4.769 1.00 0.00 H new ATOM 0 HE2 PHE A 48 2.069 -10.189 -5.596 1.00 0.00 H new ATOM 0 HZ PHE A 48 1.101 -12.311 -6.393 1.00 0.00 H new ATOM 747 N LYS A 49 3.420 -11.743 1.906 1.00 0.00 N ATOM 748 CA LYS A 49 3.799 -11.191 3.243 1.00 0.00 C ATOM 749 C LYS A 49 4.473 -9.807 3.104 1.00 0.00 C ATOM 750 O LYS A 49 5.576 -9.712 2.560 1.00 0.00 O ATOM 751 CB LYS A 49 4.729 -12.168 4.009 1.00 0.00 C ATOM 752 CG LYS A 49 4.090 -13.526 4.353 1.00 0.00 C ATOM 753 CD LYS A 49 5.098 -14.548 4.921 1.00 0.00 C ATOM 754 CE LYS A 49 4.641 -16.017 4.845 1.00 0.00 C ATOM 755 NZ LYS A 49 3.459 -16.297 5.710 1.00 0.00 N ATOM 0 H LYS A 49 4.124 -12.357 1.497 1.00 0.00 H new ATOM 0 HA LYS A 49 2.881 -11.069 3.818 1.00 0.00 H new ATOM 0 HB2 LYS A 49 5.622 -12.343 3.410 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.054 -11.690 4.933 1.00 0.00 H new ATOM 0 HG2 LYS A 49 3.292 -13.371 5.079 1.00 0.00 H new ATOM 0 HG3 LYS A 49 3.629 -13.940 3.456 1.00 0.00 H new ATOM 0 HD2 LYS A 49 6.040 -14.447 4.381 1.00 0.00 H new ATOM 0 HD3 LYS A 49 5.299 -14.298 5.963 1.00 0.00 H new ATOM 0 HE2 LYS A 49 4.397 -16.264 3.812 1.00 0.00 H new ATOM 0 HE3 LYS A 49 5.465 -16.666 5.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 3.526 -17.264 6.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 3.437 -15.619 6.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 2.588 -16.204 5.149 1.00 0.00 H new ATOM 769 N PHE A 50 3.815 -8.748 3.596 1.00 0.00 N ATOM 770 CA PHE A 50 4.351 -7.364 3.491 1.00 0.00 C ATOM 771 C PHE A 50 4.944 -6.769 4.803 1.00 0.00 C ATOM 772 O PHE A 50 4.492 -7.071 5.911 1.00 0.00 O ATOM 773 CB PHE A 50 3.345 -6.429 2.746 1.00 0.00 C ATOM 774 CG PHE A 50 2.018 -5.896 3.351 1.00 0.00 C ATOM 775 CD1 PHE A 50 1.891 -5.419 4.664 1.00 0.00 C ATOM 776 CD2 PHE A 50 0.958 -5.684 2.463 1.00 0.00 C ATOM 777 CE1 PHE A 50 0.731 -4.772 5.079 1.00 0.00 C ATOM 778 CE2 PHE A 50 -0.207 -5.048 2.877 1.00 0.00 C ATOM 779 CZ PHE A 50 -0.320 -4.592 4.187 1.00 0.00 C ATOM 0 H PHE A 50 2.914 -8.812 4.070 1.00 0.00 H new ATOM 0 HA PHE A 50 5.242 -7.436 2.868 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.915 -5.549 2.450 1.00 0.00 H new ATOM 0 HB3 PHE A 50 3.069 -6.953 1.831 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.704 -5.556 5.362 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.046 -6.020 1.440 1.00 0.00 H new ATOM 0 HE1 PHE A 50 0.647 -4.410 6.093 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.023 -4.908 2.183 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.224 -4.098 4.511 1.00 0.00 H new ATOM 789 N THR A 51 5.936 -5.876 4.640 1.00 0.00 N ATOM 790 CA THR A 51 6.504 -5.067 5.766 1.00 0.00 C ATOM 791 C THR A 51 6.522 -3.596 5.229 1.00 0.00 C ATOM 792 O THR A 51 7.459 -3.190 4.532 1.00 0.00 O ATOM 793 CB THR A 51 7.892 -5.593 6.260 1.00 0.00 C ATOM 794 OG1 THR A 51 7.902 -7.009 6.441 1.00 0.00 O ATOM 795 CG2 THR A 51 8.362 -4.980 7.580 1.00 0.00 C ATOM 0 H THR A 51 6.373 -5.686 3.738 1.00 0.00 H new ATOM 0 HA THR A 51 5.900 -5.140 6.671 1.00 0.00 H new ATOM 0 HB THR A 51 8.570 -5.291 5.462 1.00 0.00 H new ATOM 0 HG1 THR A 51 8.732 -7.380 6.075 1.00 0.00 H new ATOM 0 HG21 THR A 51 9.331 -5.398 7.851 1.00 0.00 H new ATOM 0 HG22 THR A 51 8.452 -3.899 7.468 1.00 0.00 H new ATOM 0 HG23 THR A 51 7.638 -5.205 8.364 1.00 0.00 H new ATOM 803 N ILE A 52 5.467 -2.805 5.515 1.00 0.00 N ATOM 804 CA ILE A 52 5.274 -1.451 4.901 1.00 0.00 C ATOM 805 C ILE A 52 5.622 -0.304 5.898 1.00 0.00 C ATOM 806 O ILE A 52 5.159 -0.265 7.040 1.00 0.00 O ATOM 807 CB ILE A 52 3.819 -1.310 4.314 1.00 0.00 C ATOM 808 CG1 ILE A 52 3.403 -2.422 3.303 1.00 0.00 C ATOM 809 CG2 ILE A 52 3.518 0.071 3.671 1.00 0.00 C ATOM 810 CD1 ILE A 52 4.289 -2.606 2.059 1.00 0.00 C ATOM 0 H ILE A 52 4.729 -3.071 6.167 1.00 0.00 H new ATOM 0 HA ILE A 52 5.975 -1.355 4.072 1.00 0.00 H new ATOM 0 HB ILE A 52 3.215 -1.423 5.214 1.00 0.00 H new ATOM 0 HG12 ILE A 52 3.371 -3.371 3.838 1.00 0.00 H new ATOM 0 HG13 ILE A 52 2.388 -2.211 2.967 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.496 0.081 3.293 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.636 0.854 4.420 1.00 0.00 H new ATOM 0 HG23 ILE A 52 4.211 0.248 2.848 1.00 0.00 H new ATOM 0 HD11 ILE A 52 3.887 -3.410 1.442 1.00 0.00 H new ATOM 0 HD12 ILE A 52 4.305 -1.680 1.484 1.00 0.00 H new ATOM 0 HD13 ILE A 52 5.303 -2.858 2.369 1.00 0.00 H new ATOM 822 N THR A 53 6.387 0.682 5.415 1.00 0.00 N ATOM 823 CA THR A 53 6.764 1.889 6.198 1.00 0.00 C ATOM 824 C THR A 53 5.752 3.052 5.941 1.00 0.00 C ATOM 825 O THR A 53 5.692 3.664 4.864 1.00 0.00 O ATOM 826 CB THR A 53 8.229 2.333 5.905 1.00 0.00 C ATOM 827 OG1 THR A 53 8.468 2.421 4.506 1.00 0.00 O ATOM 828 CG2 THR A 53 9.305 1.414 6.503 1.00 0.00 C ATOM 0 H THR A 53 6.768 0.676 4.469 1.00 0.00 H new ATOM 0 HA THR A 53 6.717 1.627 7.255 1.00 0.00 H new ATOM 0 HB THR A 53 8.314 3.307 6.387 1.00 0.00 H new ATOM 0 HG1 THR A 53 8.832 1.571 4.182 1.00 0.00 H new ATOM 0 HG21 THR A 53 10.293 1.798 6.250 1.00 0.00 H new ATOM 0 HG22 THR A 53 9.195 1.382 7.587 1.00 0.00 H new ATOM 0 HG23 THR A 53 9.192 0.409 6.097 1.00 0.00 H new ATOM 836 N ALA A 54 4.949 3.348 6.971 1.00 0.00 N ATOM 837 CA ALA A 54 4.029 4.515 6.992 1.00 0.00 C ATOM 838 C ALA A 54 4.697 5.703 7.753 1.00 0.00 C ATOM 839 O ALA A 54 4.314 6.067 8.871 1.00 0.00 O ATOM 840 CB ALA A 54 2.724 3.999 7.627 1.00 0.00 C ATOM 0 H ALA A 54 4.912 2.788 7.822 1.00 0.00 H new ATOM 0 HA ALA A 54 3.806 4.916 6.003 1.00 0.00 H new ATOM 0 HB1 ALA A 54 1.997 4.810 7.675 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.322 3.186 7.022 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.928 3.635 8.634 1.00 0.00 H new ATOM 846 N GLY A 55 5.731 6.296 7.122 1.00 0.00 N ATOM 847 CA GLY A 55 6.570 7.345 7.753 1.00 0.00 C ATOM 848 C GLY A 55 7.505 6.785 8.848 1.00 0.00 C ATOM 849 O GLY A 55 8.596 6.294 8.552 1.00 0.00 O ATOM 0 H GLY A 55 6.009 6.066 6.168 1.00 0.00 H new ATOM 0 HA2 GLY A 55 7.169 7.835 6.986 1.00 0.00 H new ATOM 0 HA3 GLY A 55 5.924 8.108 8.188 1.00 0.00 H new ATOM 853 N SER A 56 7.036 6.848 10.100 1.00 0.00 N ATOM 854 CA SER A 56 7.734 6.237 11.270 1.00 0.00 C ATOM 855 C SER A 56 7.242 4.788 11.627 1.00 0.00 C ATOM 856 O SER A 56 8.054 3.978 12.083 1.00 0.00 O ATOM 857 CB SER A 56 7.591 7.152 12.513 1.00 0.00 C ATOM 858 OG SER A 56 8.055 8.486 12.283 1.00 0.00 O ATOM 0 H SER A 56 6.165 7.320 10.345 1.00 0.00 H new ATOM 0 HA SER A 56 8.779 6.144 10.976 1.00 0.00 H new ATOM 0 HB2 SER A 56 6.544 7.185 12.815 1.00 0.00 H new ATOM 0 HB3 SER A 56 8.148 6.718 13.343 1.00 0.00 H new ATOM 0 HG SER A 56 7.810 9.053 13.044 1.00 0.00 H new ATOM 864 N LYS A 57 5.939 4.450 11.464 1.00 0.00 N ATOM 865 CA LYS A 57 5.393 3.117 11.840 1.00 0.00 C ATOM 866 C LYS A 57 5.643 2.005 10.766 1.00 0.00 C ATOM 867 O LYS A 57 5.343 2.170 9.578 1.00 0.00 O ATOM 868 CB LYS A 57 3.872 3.268 12.144 1.00 0.00 C ATOM 869 CG LYS A 57 3.245 2.034 12.848 1.00 0.00 C ATOM 870 CD LYS A 57 1.708 2.079 12.964 1.00 0.00 C ATOM 871 CE LYS A 57 1.166 0.813 13.659 1.00 0.00 C ATOM 872 NZ LYS A 57 -0.317 0.789 13.619 1.00 0.00 N ATOM 0 H LYS A 57 5.242 5.084 11.073 1.00 0.00 H new ATOM 0 HA LYS A 57 5.930 2.780 12.727 1.00 0.00 H new ATOM 0 HB2 LYS A 57 3.722 4.147 12.771 1.00 0.00 H new ATOM 0 HB3 LYS A 57 3.341 3.449 11.210 1.00 0.00 H new ATOM 0 HG2 LYS A 57 3.530 1.135 12.301 1.00 0.00 H new ATOM 0 HG3 LYS A 57 3.670 1.946 13.848 1.00 0.00 H new ATOM 0 HD2 LYS A 57 1.408 2.963 13.527 1.00 0.00 H new ATOM 0 HD3 LYS A 57 1.268 2.169 11.971 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.563 -0.076 13.168 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.508 0.785 14.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -0.660 -0.109 14.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -0.692 1.581 14.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -0.639 0.878 12.634 1.00 0.00 H new ATOM 886 N VAL A 58 6.122 0.838 11.228 1.00 0.00 N ATOM 887 CA VAL A 58 6.309 -0.368 10.368 1.00 0.00 C ATOM 888 C VAL A 58 4.999 -1.227 10.487 1.00 0.00 C ATOM 889 O VAL A 58 4.739 -1.850 11.521 1.00 0.00 O ATOM 890 CB VAL A 58 7.614 -1.140 10.768 1.00 0.00 C ATOM 891 CG1 VAL A 58 7.839 -2.396 9.899 1.00 0.00 C ATOM 892 CG2 VAL A 58 8.908 -0.294 10.662 1.00 0.00 C ATOM 0 H VAL A 58 6.392 0.693 12.201 1.00 0.00 H new ATOM 0 HA VAL A 58 6.455 -0.101 9.321 1.00 0.00 H new ATOM 0 HB VAL A 58 7.439 -1.404 11.811 1.00 0.00 H new ATOM 0 HG11 VAL A 58 8.755 -2.897 10.214 1.00 0.00 H new ATOM 0 HG12 VAL A 58 6.995 -3.076 10.016 1.00 0.00 H new ATOM 0 HG13 VAL A 58 7.927 -2.104 8.853 1.00 0.00 H new ATOM 0 HG21 VAL A 58 9.765 -0.901 10.956 1.00 0.00 H new ATOM 0 HG22 VAL A 58 9.038 0.044 9.634 1.00 0.00 H new ATOM 0 HG23 VAL A 58 8.833 0.571 11.322 1.00 0.00 H new ATOM 902 N ILE A 59 4.178 -1.240 9.425 1.00 0.00 N ATOM 903 CA ILE A 59 2.883 -1.985 9.383 1.00 0.00 C ATOM 904 C ILE A 59 3.141 -3.319 8.612 1.00 0.00 C ATOM 905 O ILE A 59 3.239 -3.332 7.378 1.00 0.00 O ATOM 906 CB ILE A 59 1.741 -1.102 8.753 1.00 0.00 C ATOM 907 CG1 ILE A 59 1.499 0.233 9.523 1.00 0.00 C ATOM 908 CG2 ILE A 59 0.399 -1.878 8.650 1.00 0.00 C ATOM 909 CD1 ILE A 59 0.580 1.248 8.825 1.00 0.00 C ATOM 0 H ILE A 59 4.383 -0.736 8.562 1.00 0.00 H new ATOM 0 HA ILE A 59 2.528 -2.223 10.386 1.00 0.00 H new ATOM 0 HB ILE A 59 2.096 -0.855 7.753 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.074 -0.004 10.498 1.00 0.00 H new ATOM 0 HG13 ILE A 59 2.464 0.708 9.702 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -0.362 -1.233 8.210 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.535 -2.758 8.022 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.081 -2.188 9.645 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.481 2.137 9.447 1.00 0.00 H new ATOM 0 HD12 ILE A 59 1.009 1.525 7.862 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.403 0.803 8.670 1.00 0.00 H new ATOM 921 N GLN A 60 3.239 -4.439 9.346 1.00 0.00 N ATOM 922 CA GLN A 60 3.500 -5.779 8.756 1.00 0.00 C ATOM 923 C GLN A 60 2.266 -6.727 8.891 1.00 0.00 C ATOM 924 O GLN A 60 1.790 -7.047 9.984 1.00 0.00 O ATOM 925 CB GLN A 60 4.842 -6.360 9.276 1.00 0.00 C ATOM 926 CG GLN A 60 4.975 -6.778 10.762 1.00 0.00 C ATOM 927 CD GLN A 60 4.984 -5.628 11.779 1.00 0.00 C ATOM 928 OE1 GLN A 60 3.949 -5.146 12.226 1.00 0.00 O ATOM 929 NE2 GLN A 60 6.134 -5.120 12.151 1.00 0.00 N ATOM 0 H GLN A 60 3.141 -4.451 10.361 1.00 0.00 H new ATOM 0 HA GLN A 60 3.633 -5.673 7.679 1.00 0.00 H new ATOM 0 HB2 GLN A 60 5.074 -7.236 8.670 1.00 0.00 H new ATOM 0 HB3 GLN A 60 5.616 -5.619 9.076 1.00 0.00 H new ATOM 0 HG2 GLN A 60 4.151 -7.449 11.007 1.00 0.00 H new ATOM 0 HG3 GLN A 60 5.896 -7.349 10.879 1.00 0.00 H new ATOM 0 HE21 GLN A 60 7.004 -5.509 11.789 1.00 0.00 H new ATOM 0 HE22 GLN A 60 6.158 -4.336 12.803 1.00 0.00 H new ATOM 938 N ASN A 61 1.743 -7.139 7.733 1.00 0.00 N ATOM 939 CA ASN A 61 0.563 -8.047 7.600 1.00 0.00 C ATOM 940 C ASN A 61 0.729 -8.890 6.281 1.00 0.00 C ATOM 941 O ASN A 61 1.544 -8.562 5.409 1.00 0.00 O ATOM 942 CB ASN A 61 -0.774 -7.241 7.575 1.00 0.00 C ATOM 943 CG ASN A 61 -1.258 -6.614 8.886 1.00 0.00 C ATOM 944 OD1 ASN A 61 -1.927 -7.239 9.702 1.00 0.00 O ATOM 945 ND2 ASN A 61 -0.980 -5.354 9.116 1.00 0.00 N ATOM 0 H ASN A 61 2.125 -6.853 6.832 1.00 0.00 H new ATOM 0 HA ASN A 61 0.520 -8.711 8.463 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -0.669 -6.442 6.841 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -1.558 -7.906 7.213 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -1.319 -4.904 9.966 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -0.424 -4.824 8.445 1.00 0.00 H new ATOM 952 N GLU A 62 -0.038 -9.985 6.111 1.00 0.00 N ATOM 953 CA GLU A 62 0.025 -10.823 4.876 1.00 0.00 C ATOM 954 C GLU A 62 -1.350 -10.951 4.161 1.00 0.00 C ATOM 955 O GLU A 62 -2.366 -11.272 4.787 1.00 0.00 O ATOM 956 CB GLU A 62 0.739 -12.170 5.147 1.00 0.00 C ATOM 957 CG GLU A 62 0.012 -13.303 5.915 1.00 0.00 C ATOM 958 CD GLU A 62 0.887 -14.540 6.039 1.00 0.00 C ATOM 959 OE1 GLU A 62 1.101 -15.250 5.030 1.00 0.00 O ATOM 960 OE2 GLU A 62 1.454 -14.784 7.124 1.00 0.00 O ATOM 0 H GLU A 62 -0.709 -10.317 6.804 1.00 0.00 H new ATOM 0 HA GLU A 62 0.648 -10.299 4.151 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.038 -12.576 4.181 1.00 0.00 H new ATOM 0 HB3 GLU A 62 1.654 -11.945 5.695 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.266 -12.951 6.909 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -0.913 -13.560 5.398 1.00 0.00 H new ATOM 967 N PHE A 63 -1.372 -10.692 2.839 1.00 0.00 N ATOM 968 CA PHE A 63 -2.607 -10.804 2.018 1.00 0.00 C ATOM 969 C PHE A 63 -2.660 -12.102 1.167 1.00 0.00 C ATOM 970 O PHE A 63 -1.712 -12.476 0.471 1.00 0.00 O ATOM 971 CB PHE A 63 -2.928 -9.529 1.205 1.00 0.00 C ATOM 972 CG PHE A 63 -1.944 -9.076 0.113 1.00 0.00 C ATOM 973 CD1 PHE A 63 -0.903 -8.193 0.415 1.00 0.00 C ATOM 974 CD2 PHE A 63 -2.111 -9.518 -1.204 1.00 0.00 C ATOM 975 CE1 PHE A 63 -0.046 -7.753 -0.591 1.00 0.00 C ATOM 976 CE2 PHE A 63 -1.268 -9.056 -2.211 1.00 0.00 C ATOM 977 CZ PHE A 63 -0.236 -8.173 -1.901 1.00 0.00 C ATOM 0 H PHE A 63 -0.549 -10.403 2.310 1.00 0.00 H new ATOM 0 HA PHE A 63 -3.420 -10.893 2.739 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -3.900 -9.675 0.733 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -3.037 -8.706 1.912 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -0.763 -7.851 1.430 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -2.897 -10.220 -1.440 1.00 0.00 H new ATOM 0 HE1 PHE A 63 0.768 -7.084 -0.352 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -1.414 -9.381 -3.230 1.00 0.00 H new ATOM 0 HZ PHE A 63 0.418 -7.814 -2.682 1.00 0.00 H new ATOM 987 N THR A 64 -3.824 -12.754 1.210 1.00 0.00 N ATOM 988 CA THR A 64 -4.086 -14.012 0.473 1.00 0.00 C ATOM 989 C THR A 64 -4.846 -13.654 -0.843 1.00 0.00 C ATOM 990 O THR A 64 -5.969 -13.142 -0.816 1.00 0.00 O ATOM 991 CB THR A 64 -4.869 -15.003 1.392 1.00 0.00 C ATOM 992 OG1 THR A 64 -4.269 -15.117 2.680 1.00 0.00 O ATOM 993 CG2 THR A 64 -4.939 -16.429 0.831 1.00 0.00 C ATOM 0 H THR A 64 -4.621 -12.430 1.757 1.00 0.00 H new ATOM 0 HA THR A 64 -3.161 -14.518 0.196 1.00 0.00 H new ATOM 0 HB THR A 64 -5.870 -14.575 1.450 1.00 0.00 H new ATOM 0 HG1 THR A 64 -4.786 -15.744 3.228 1.00 0.00 H new ATOM 0 HG21 THR A 64 -5.497 -17.064 1.520 1.00 0.00 H new ATOM 0 HG22 THR A 64 -5.440 -16.415 -0.137 1.00 0.00 H new ATOM 0 HG23 THR A 64 -3.930 -16.823 0.711 1.00 0.00 H new ATOM 1001 N VAL A 65 -4.242 -13.928 -2.010 1.00 0.00 N ATOM 1002 CA VAL A 65 -4.876 -13.649 -3.339 1.00 0.00 C ATOM 1003 C VAL A 65 -5.974 -14.733 -3.603 1.00 0.00 C ATOM 1004 O VAL A 65 -5.673 -15.932 -3.670 1.00 0.00 O ATOM 1005 CB VAL A 65 -3.781 -13.572 -4.455 1.00 0.00 C ATOM 1006 CG1 VAL A 65 -4.301 -13.473 -5.910 1.00 0.00 C ATOM 1007 CG2 VAL A 65 -2.799 -12.389 -4.263 1.00 0.00 C ATOM 0 H VAL A 65 -3.313 -14.344 -2.076 1.00 0.00 H new ATOM 0 HA VAL A 65 -5.369 -12.677 -3.345 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.285 -14.534 -4.328 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -3.455 -13.426 -6.596 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -4.907 -14.350 -6.140 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -4.908 -12.574 -6.019 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -2.065 -12.391 -5.069 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -3.353 -11.450 -4.279 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -2.288 -12.492 -3.306 1.00 0.00 H new ATOM 1017 N GLY A 66 -7.244 -14.313 -3.715 1.00 0.00 N ATOM 1018 CA GLY A 66 -8.388 -15.260 -3.880 1.00 0.00 C ATOM 1019 C GLY A 66 -9.148 -15.755 -2.618 1.00 0.00 C ATOM 1020 O GLY A 66 -10.213 -16.343 -2.789 1.00 0.00 O ATOM 0 H GLY A 66 -7.517 -13.330 -3.696 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -9.116 -14.784 -4.536 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -8.014 -16.139 -4.404 1.00 0.00 H new ATOM 1024 N GLU A 67 -8.621 -15.561 -1.393 1.00 0.00 N ATOM 1025 CA GLU A 67 -9.347 -15.873 -0.120 1.00 0.00 C ATOM 1026 C GLU A 67 -9.177 -14.711 0.921 1.00 0.00 C ATOM 1027 O GLU A 67 -8.203 -13.954 0.881 1.00 0.00 O ATOM 1028 CB GLU A 67 -8.862 -17.237 0.457 1.00 0.00 C ATOM 1029 CG GLU A 67 -9.458 -18.503 -0.215 1.00 0.00 C ATOM 1030 CD GLU A 67 -10.931 -18.808 0.042 1.00 0.00 C ATOM 1031 OE1 GLU A 67 -11.633 -18.040 0.735 1.00 0.00 O ATOM 1032 OE2 GLU A 67 -11.385 -19.852 -0.469 1.00 0.00 O ATOM 0 H GLU A 67 -7.684 -15.185 -1.245 1.00 0.00 H new ATOM 0 HA GLU A 67 -10.412 -15.959 -0.337 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -7.776 -17.281 0.373 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -9.101 -17.266 1.520 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -9.316 -18.411 -1.292 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -8.874 -19.364 0.111 1.00 0.00 H new ATOM 1039 N GLU A 68 -10.127 -14.563 1.866 1.00 0.00 N ATOM 1040 CA GLU A 68 -10.136 -13.450 2.866 1.00 0.00 C ATOM 1041 C GLU A 68 -8.816 -13.169 3.675 1.00 0.00 C ATOM 1042 O GLU A 68 -8.187 -14.082 4.220 1.00 0.00 O ATOM 1043 CB GLU A 68 -11.372 -13.571 3.800 1.00 0.00 C ATOM 1044 CG GLU A 68 -11.415 -14.802 4.746 1.00 0.00 C ATOM 1045 CD GLU A 68 -11.899 -14.528 6.162 1.00 0.00 C ATOM 1046 OE1 GLU A 68 -13.053 -14.098 6.360 1.00 0.00 O ATOM 1047 OE2 GLU A 68 -11.103 -14.694 7.111 1.00 0.00 O ATOM 0 H GLU A 68 -10.913 -15.205 1.966 1.00 0.00 H new ATOM 0 HA GLU A 68 -10.205 -12.557 2.245 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -11.426 -12.670 4.411 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -12.267 -13.588 3.179 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -12.062 -15.558 4.300 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -10.414 -15.231 4.800 1.00 0.00 H new ATOM 1054 N CYS A 69 -8.411 -11.886 3.741 1.00 0.00 N ATOM 1055 CA CYS A 69 -7.183 -11.457 4.460 1.00 0.00 C ATOM 1056 C CYS A 69 -7.340 -10.070 5.145 1.00 0.00 C ATOM 1057 O CYS A 69 -7.635 -9.050 4.513 1.00 0.00 O ATOM 1058 CB CYS A 69 -5.967 -11.468 3.521 1.00 0.00 C ATOM 1059 SG CYS A 69 -6.321 -10.700 1.899 1.00 0.00 S ATOM 0 H CYS A 69 -8.918 -11.118 3.302 1.00 0.00 H new ATOM 0 HA CYS A 69 -7.018 -12.183 5.256 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -5.141 -10.939 3.996 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -5.641 -12.497 3.368 1.00 0.00 H new ATOM 0 HG CYS A 69 -6.993 -9.601 2.076 1.00 0.00 H new ATOM 1065 N GLU A 70 -7.088 -10.064 6.460 1.00 0.00 N ATOM 1066 CA GLU A 70 -7.199 -8.861 7.328 1.00 0.00 C ATOM 1067 C GLU A 70 -5.921 -7.959 7.329 1.00 0.00 C ATOM 1068 O GLU A 70 -4.840 -8.378 7.753 1.00 0.00 O ATOM 1069 CB GLU A 70 -7.697 -9.262 8.742 1.00 0.00 C ATOM 1070 CG GLU A 70 -6.876 -10.335 9.487 1.00 0.00 C ATOM 1071 CD GLU A 70 -7.321 -10.597 10.912 1.00 0.00 C ATOM 1072 OE1 GLU A 70 -8.457 -11.077 11.111 1.00 0.00 O ATOM 1073 OE2 GLU A 70 -6.525 -10.326 11.838 1.00 0.00 O ATOM 0 H GLU A 70 -6.797 -10.900 6.968 1.00 0.00 H new ATOM 0 HA GLU A 70 -7.957 -8.210 6.892 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -7.725 -8.365 9.360 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -8.723 -9.619 8.653 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -6.930 -11.268 8.927 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -5.830 -10.030 9.498 1.00 0.00 H new ATOM 1080 N LEU A 71 -6.067 -6.702 6.873 1.00 0.00 N ATOM 1081 CA LEU A 71 -4.949 -5.717 6.797 1.00 0.00 C ATOM 1082 C LEU A 71 -5.296 -4.416 7.592 1.00 0.00 C ATOM 1083 O LEU A 71 -6.419 -3.906 7.512 1.00 0.00 O ATOM 1084 CB LEU A 71 -4.653 -5.356 5.310 1.00 0.00 C ATOM 1085 CG LEU A 71 -4.280 -6.492 4.317 1.00 0.00 C ATOM 1086 CD1 LEU A 71 -4.012 -5.886 2.932 1.00 0.00 C ATOM 1087 CD2 LEU A 71 -3.059 -7.317 4.756 1.00 0.00 C ATOM 0 H LEU A 71 -6.959 -6.331 6.545 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.065 -6.173 7.243 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -5.532 -4.849 4.914 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.838 -4.633 5.303 1.00 0.00 H new ATOM 0 HG LEU A 71 -5.127 -7.177 4.291 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.750 -6.680 2.232 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -4.907 -5.373 2.580 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.189 -5.175 2.999 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.857 -8.091 4.015 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.191 -6.664 4.844 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.262 -7.782 5.721 1.00 0.00 H new ATOM 1099 N GLU A 72 -4.332 -3.847 8.339 1.00 0.00 N ATOM 1100 CA GLU A 72 -4.542 -2.566 9.084 1.00 0.00 C ATOM 1101 C GLU A 72 -4.715 -1.328 8.133 1.00 0.00 C ATOM 1102 O GLU A 72 -4.018 -1.153 7.129 1.00 0.00 O ATOM 1103 CB GLU A 72 -3.337 -2.387 10.050 1.00 0.00 C ATOM 1104 CG GLU A 72 -3.497 -1.244 11.087 1.00 0.00 C ATOM 1105 CD GLU A 72 -2.235 -0.898 11.853 1.00 0.00 C ATOM 1106 OE1 GLU A 72 -1.462 -0.029 11.391 1.00 0.00 O ATOM 1107 OE2 GLU A 72 -2.020 -1.423 12.964 1.00 0.00 O ATOM 0 H GLU A 72 -3.399 -4.243 8.450 1.00 0.00 H new ATOM 0 HA GLU A 72 -5.476 -2.621 9.643 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -3.176 -3.323 10.584 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -2.441 -2.199 9.459 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -3.848 -0.351 10.571 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -4.272 -1.525 11.800 1.00 0.00 H new ATOM 1114 N THR A 73 -5.680 -0.481 8.497 1.00 0.00 N ATOM 1115 CA THR A 73 -6.026 0.774 7.773 1.00 0.00 C ATOM 1116 C THR A 73 -5.586 2.042 8.573 1.00 0.00 C ATOM 1117 O THR A 73 -5.354 2.018 9.787 1.00 0.00 O ATOM 1118 CB THR A 73 -7.556 0.752 7.428 1.00 0.00 C ATOM 1119 OG1 THR A 73 -7.997 1.986 6.865 1.00 0.00 O ATOM 1120 CG2 THR A 73 -8.519 0.458 8.586 1.00 0.00 C ATOM 0 H THR A 73 -6.263 -0.639 9.319 1.00 0.00 H new ATOM 0 HA THR A 73 -5.471 0.828 6.837 1.00 0.00 H new ATOM 0 HB THR A 73 -7.603 -0.081 6.726 1.00 0.00 H new ATOM 0 HG1 THR A 73 -8.686 2.380 7.440 1.00 0.00 H new ATOM 0 HG21 THR A 73 -9.545 0.471 8.218 1.00 0.00 H new ATOM 0 HG22 THR A 73 -8.296 -0.523 9.004 1.00 0.00 H new ATOM 0 HG23 THR A 73 -8.401 1.217 9.359 1.00 0.00 H new ATOM 1128 N MET A 74 -5.505 3.175 7.857 1.00 0.00 N ATOM 1129 CA MET A 74 -5.272 4.513 8.491 1.00 0.00 C ATOM 1130 C MET A 74 -6.529 4.977 9.301 1.00 0.00 C ATOM 1131 O MET A 74 -6.430 5.187 10.512 1.00 0.00 O ATOM 1132 CB MET A 74 -4.804 5.552 7.435 1.00 0.00 C ATOM 1133 CG MET A 74 -3.330 5.442 7.009 1.00 0.00 C ATOM 1134 SD MET A 74 -2.259 5.742 8.429 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 -5.595 3.207 6.841 1.00 0.00 H new ATOM 0 HA MET A 74 -4.461 4.424 9.214 1.00 0.00 H new ATOM 0 HB2 MET A 74 -5.429 5.450 6.548 1.00 0.00 H new ATOM 0 HB3 MET A 74 -4.976 6.552 7.833 1.00 0.00 H new ATOM 0 HG2 MET A 74 -3.134 4.452 6.597 1.00 0.00 H new ATOM 0 HG3 MET A 74 -3.115 6.164 6.221 1.00 0.00 H new ATOM 0 HE1 MET A 74 -0.833 4.132 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 3.840 7.731 1.00 0.00 H new ATOM 1145 N THR A 75 -7.698 5.110 8.646 1.00 0.00 N ATOM 1146 CA THR A 75 -8.993 5.342 9.342 1.00 0.00 C ATOM 1147 C THR A 75 -9.697 3.948 9.438 1.00 0.00 C ATOM 1148 O THR A 75 -9.950 3.283 8.421 1.00 0.00 O ATOM 1149 CB THR A 75 -9.872 6.393 8.608 1.00 0.00 C ATOM 1150 OG1 THR A 75 -9.155 7.611 8.434 1.00 0.00 O ATOM 1151 CG2 THR A 75 -11.163 6.773 9.353 1.00 0.00 C ATOM 0 H THR A 75 -7.779 5.061 7.630 1.00 0.00 H new ATOM 0 HA THR A 75 -8.829 5.761 10.335 1.00 0.00 H new ATOM 0 HB THR A 75 -10.132 5.911 7.665 1.00 0.00 H new ATOM 0 HG1 THR A 75 -9.767 8.369 8.539 1.00 0.00 H new ATOM 0 HG21 THR A 75 -11.715 7.511 8.771 1.00 0.00 H new ATOM 0 HG22 THR A 75 -11.779 5.884 9.490 1.00 0.00 H new ATOM 0 HG23 THR A 75 -10.911 7.194 10.326 1.00 0.00 H new ATOM 1159 N GLY A 76 -9.979 3.508 10.671 1.00 0.00 N ATOM 1160 CA GLY A 76 -10.688 2.229 10.930 1.00 0.00 C ATOM 1161 C GLY A 76 -10.106 1.323 12.031 1.00 0.00 C ATOM 1162 O GLY A 76 -10.146 1.681 13.209 1.00 0.00 O ATOM 0 H GLY A 76 -9.728 4.018 11.518 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -11.721 2.460 11.191 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -10.713 1.660 10.000 1.00 0.00 H new ATOM 1166 N GLU A 77 -9.626 0.128 11.641 1.00 0.00 N ATOM 1167 CA GLU A 77 -9.270 -0.967 12.581 1.00 0.00 C ATOM 1168 C GLU A 77 -8.415 -2.036 11.827 1.00 0.00 C ATOM 1169 O GLU A 77 -7.183 -2.032 11.894 1.00 0.00 O ATOM 1170 CB GLU A 77 -10.518 -1.490 13.374 1.00 0.00 C ATOM 1171 CG GLU A 77 -11.717 -2.166 12.648 1.00 0.00 C ATOM 1172 CD GLU A 77 -12.332 -1.474 11.433 1.00 0.00 C ATOM 1173 OE1 GLU A 77 -11.876 -1.718 10.292 1.00 0.00 O ATOM 1174 OE2 GLU A 77 -13.277 -0.673 11.585 1.00 0.00 O ATOM 0 H GLU A 77 -9.471 -0.113 10.662 1.00 0.00 H new ATOM 0 HA GLU A 77 -8.629 -0.598 13.381 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -10.149 -2.205 14.110 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -10.920 -0.641 13.928 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -11.394 -3.158 12.333 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -12.510 -2.307 13.383 1.00 0.00 H new ATOM 1181 N LYS A 78 -9.082 -2.930 11.084 1.00 0.00 N ATOM 1182 CA LYS A 78 -8.456 -4.015 10.297 1.00 0.00 C ATOM 1183 C LYS A 78 -9.491 -4.499 9.240 1.00 0.00 C ATOM 1184 O LYS A 78 -10.534 -5.072 9.575 1.00 0.00 O ATOM 1185 CB LYS A 78 -7.959 -5.160 11.230 1.00 0.00 C ATOM 1186 CG LYS A 78 -6.629 -5.759 10.748 1.00 0.00 C ATOM 1187 CD LYS A 78 -6.137 -6.904 11.651 1.00 0.00 C ATOM 1188 CE LYS A 78 -4.783 -7.472 11.191 1.00 0.00 C ATOM 1189 NZ LYS A 78 -4.493 -8.711 11.955 1.00 0.00 N ATOM 0 H LYS A 78 -10.099 -2.923 11.008 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.569 -3.655 9.776 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -7.838 -4.775 12.243 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -8.715 -5.944 11.275 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -6.749 -6.129 9.730 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -5.872 -4.975 10.715 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -6.047 -6.543 12.675 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -6.879 -7.702 11.658 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -4.808 -7.686 10.123 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -3.993 -6.738 11.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -3.864 -9.324 11.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -4.030 -8.465 12.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -5.382 -9.214 12.151 1.00 0.00 H new ATOM 1203 N VAL A 79 -9.200 -4.253 7.956 1.00 0.00 N ATOM 1204 CA VAL A 79 -10.133 -4.546 6.836 1.00 0.00 C ATOM 1205 C VAL A 79 -9.852 -5.918 6.149 1.00 0.00 C ATOM 1206 O VAL A 79 -8.718 -6.198 5.744 1.00 0.00 O ATOM 1207 CB VAL A 79 -10.107 -3.319 5.860 1.00 0.00 C ATOM 1208 CG1 VAL A 79 -8.811 -3.094 5.051 1.00 0.00 C ATOM 1209 CG2 VAL A 79 -11.293 -3.320 4.878 1.00 0.00 C ATOM 0 H VAL A 79 -8.315 -3.846 7.654 1.00 0.00 H new ATOM 0 HA VAL A 79 -11.147 -4.669 7.217 1.00 0.00 H new ATOM 0 HB VAL A 79 -10.175 -2.488 6.563 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -8.926 -2.215 4.417 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -7.977 -2.941 5.736 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -8.614 -3.967 4.429 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -11.226 -2.449 4.226 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -11.266 -4.228 4.275 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -12.228 -3.284 5.437 1.00 0.00 H new ATOM 1219 N LYS A 80 -10.894 -6.760 5.985 1.00 0.00 N ATOM 1220 CA LYS A 80 -10.774 -8.037 5.221 1.00 0.00 C ATOM 1221 C LYS A 80 -10.950 -7.742 3.694 1.00 0.00 C ATOM 1222 O LYS A 80 -12.053 -7.747 3.142 1.00 0.00 O ATOM 1223 CB LYS A 80 -11.701 -9.140 5.800 1.00 0.00 C ATOM 1224 CG LYS A 80 -11.142 -9.761 7.105 1.00 0.00 C ATOM 1225 CD LYS A 80 -11.865 -11.039 7.561 1.00 0.00 C ATOM 1226 CE LYS A 80 -11.187 -11.684 8.789 1.00 0.00 C ATOM 1227 NZ LYS A 80 -11.769 -13.032 9.009 1.00 0.00 N ATOM 0 H LYS A 80 -11.825 -6.588 6.365 1.00 0.00 H new ATOM 0 HA LYS A 80 -9.775 -8.459 5.336 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -12.686 -8.716 5.996 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -11.834 -9.925 5.056 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -10.085 -9.987 6.962 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -11.204 -9.019 7.901 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -12.901 -10.802 7.802 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -11.885 -11.756 6.740 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -10.111 -11.760 8.629 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -11.335 -11.061 9.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -11.693 -13.283 10.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -12.770 -13.028 8.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -11.252 -13.731 8.438 1.00 0.00 H new ATOM 1241 N THR A 81 -9.811 -7.454 3.048 1.00 0.00 N ATOM 1242 CA THR A 81 -9.726 -7.000 1.635 1.00 0.00 C ATOM 1243 C THR A 81 -9.024 -8.093 0.773 1.00 0.00 C ATOM 1244 O THR A 81 -7.800 -8.252 0.823 1.00 0.00 O ATOM 1245 CB THR A 81 -9.012 -5.605 1.636 1.00 0.00 C ATOM 1246 OG1 THR A 81 -9.028 -5.001 0.351 1.00 0.00 O ATOM 1247 CG2 THR A 81 -7.553 -5.575 2.132 1.00 0.00 C ATOM 0 H THR A 81 -8.897 -7.529 3.495 1.00 0.00 H new ATOM 0 HA THR A 81 -10.705 -6.866 1.176 1.00 0.00 H new ATOM 0 HB THR A 81 -9.608 -5.052 2.362 1.00 0.00 H new ATOM 0 HG1 THR A 81 -8.615 -5.606 -0.300 1.00 0.00 H new ATOM 0 HG21 THR A 81 -7.173 -4.554 2.084 1.00 0.00 H new ATOM 0 HG22 THR A 81 -7.511 -5.929 3.162 1.00 0.00 H new ATOM 0 HG23 THR A 81 -6.941 -6.220 1.502 1.00 0.00 H new ATOM 1255 N VAL A 82 -9.786 -8.863 -0.028 1.00 0.00 N ATOM 1256 CA VAL A 82 -9.179 -9.900 -0.922 1.00 0.00 C ATOM 1257 C VAL A 82 -8.616 -9.241 -2.222 1.00 0.00 C ATOM 1258 O VAL A 82 -9.225 -8.340 -2.813 1.00 0.00 O ATOM 1259 CB VAL A 82 -10.071 -11.163 -1.138 1.00 0.00 C ATOM 1260 CG1 VAL A 82 -11.264 -11.046 -2.098 1.00 0.00 C ATOM 1261 CG2 VAL A 82 -9.246 -12.331 -1.691 1.00 0.00 C ATOM 0 H VAL A 82 -10.802 -8.799 -0.083 1.00 0.00 H new ATOM 0 HA VAL A 82 -8.321 -10.325 -0.402 1.00 0.00 H new ATOM 0 HB VAL A 82 -10.466 -11.309 -0.133 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -11.788 -12.001 -2.146 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -11.946 -10.276 -1.739 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -10.906 -10.779 -3.092 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -9.892 -13.198 -1.832 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -8.807 -12.046 -2.647 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -8.452 -12.581 -0.987 1.00 0.00 H new ATOM 1271 N VAL A 83 -7.422 -9.680 -2.631 1.00 0.00 N ATOM 1272 CA VAL A 83 -6.687 -9.079 -3.776 1.00 0.00 C ATOM 1273 C VAL A 83 -6.743 -10.043 -5.007 1.00 0.00 C ATOM 1274 O VAL A 83 -6.504 -11.247 -4.878 1.00 0.00 O ATOM 1275 CB VAL A 83 -5.230 -8.694 -3.326 1.00 0.00 C ATOM 1276 CG1 VAL A 83 -4.550 -7.776 -4.359 1.00 0.00 C ATOM 1277 CG2 VAL A 83 -5.088 -7.979 -1.951 1.00 0.00 C ATOM 0 H VAL A 83 -6.930 -10.456 -2.189 1.00 0.00 H new ATOM 0 HA VAL A 83 -7.161 -8.152 -4.098 1.00 0.00 H new ATOM 0 HB VAL A 83 -4.755 -9.671 -3.238 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -3.545 -7.528 -4.019 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -4.492 -8.289 -5.319 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -5.131 -6.861 -4.471 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -4.036 -7.768 -1.758 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -5.649 -7.044 -1.967 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -5.480 -8.623 -1.164 1.00 0.00 H new ATOM 1287 N GLN A 84 -7.075 -9.517 -6.198 1.00 0.00 N ATOM 1288 CA GLN A 84 -7.092 -10.304 -7.469 1.00 0.00 C ATOM 1289 C GLN A 84 -5.861 -9.907 -8.343 1.00 0.00 C ATOM 1290 O GLN A 84 -5.531 -8.726 -8.490 1.00 0.00 O ATOM 1291 CB GLN A 84 -8.429 -10.090 -8.231 1.00 0.00 C ATOM 1292 CG GLN A 84 -9.633 -10.975 -7.812 1.00 0.00 C ATOM 1293 CD GLN A 84 -10.131 -10.843 -6.366 1.00 0.00 C ATOM 1294 OE1 GLN A 84 -10.743 -9.859 -5.968 1.00 0.00 O ATOM 1295 NE2 GLN A 84 -9.898 -11.835 -5.541 1.00 0.00 N ATOM 0 H GLN A 84 -7.340 -8.540 -6.320 1.00 0.00 H new ATOM 0 HA GLN A 84 -7.022 -11.367 -7.237 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -8.721 -9.046 -8.115 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -8.243 -10.253 -9.293 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -10.466 -10.750 -8.478 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -9.362 -12.017 -7.982 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -9.389 -12.658 -5.864 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -10.225 -11.784 -4.576 1.00 0.00 H new ATOM 1304 N LEU A 85 -5.206 -10.914 -8.939 1.00 0.00 N ATOM 1305 CA LEU A 85 -3.961 -10.734 -9.727 1.00 0.00 C ATOM 1306 C LEU A 85 -4.157 -10.984 -11.257 1.00 0.00 C ATOM 1307 O LEU A 85 -4.623 -12.052 -11.667 1.00 0.00 O ATOM 1308 CB LEU A 85 -2.924 -11.709 -9.092 1.00 0.00 C ATOM 1309 CG LEU A 85 -1.517 -11.754 -9.736 1.00 0.00 C ATOM 1310 CD1 LEU A 85 -0.799 -10.394 -9.723 1.00 0.00 C ATOM 1311 CD2 LEU A 85 -0.640 -12.809 -9.041 1.00 0.00 C ATOM 0 H LEU A 85 -5.520 -11.883 -8.892 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.620 -9.700 -9.680 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -2.808 -11.443 -8.041 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.343 -12.715 -9.121 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.670 -12.025 -10.781 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.181 -10.496 -10.189 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -1.390 -9.665 -10.277 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.678 -10.056 -8.694 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.345 -12.827 -9.507 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -0.538 -12.559 -7.985 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -1.105 -13.790 -9.138 1.00 0.00 H new ATOM 1323 N GLU A 86 -3.734 -10.014 -12.088 1.00 0.00 N ATOM 1324 CA GLU A 86 -3.697 -10.160 -13.571 1.00 0.00 C ATOM 1325 C GLU A 86 -2.203 -10.154 -14.053 1.00 0.00 C ATOM 1326 O GLU A 86 -1.406 -9.266 -13.717 1.00 0.00 O ATOM 1327 CB GLU A 86 -4.525 -9.032 -14.232 1.00 0.00 C ATOM 1328 CG GLU A 86 -4.777 -9.165 -15.757 1.00 0.00 C ATOM 1329 CD GLU A 86 -5.362 -7.911 -16.393 1.00 0.00 C ATOM 1330 OE1 GLU A 86 -6.589 -7.708 -16.302 1.00 0.00 O ATOM 1331 OE2 GLU A 86 -4.594 -7.128 -16.994 1.00 0.00 O ATOM 0 H GLU A 86 -3.407 -9.105 -11.760 1.00 0.00 H new ATOM 0 HA GLU A 86 -4.144 -11.108 -13.869 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -5.491 -8.978 -13.730 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -4.018 -8.084 -14.051 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -3.837 -9.408 -16.252 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -5.454 -10.001 -15.933 1.00 0.00 H new ATOM 1338 N GLY A 87 -1.843 -11.185 -14.835 1.00 0.00 N ATOM 1339 CA GLY A 87 -0.488 -11.331 -15.460 1.00 0.00 C ATOM 1340 C GLY A 87 0.820 -11.289 -14.635 1.00 0.00 C ATOM 1341 O GLY A 87 1.864 -10.909 -15.164 1.00 0.00 O ATOM 0 H GLY A 87 -2.476 -11.952 -15.062 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -0.491 -12.283 -15.990 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -0.406 -10.547 -16.213 1.00 0.00 H new ATOM 1345 N ASP A 88 0.746 -11.677 -13.359 1.00 0.00 N ATOM 1346 CA ASP A 88 1.864 -11.534 -12.368 1.00 0.00 C ATOM 1347 C ASP A 88 2.398 -10.062 -12.122 1.00 0.00 C ATOM 1348 O ASP A 88 3.529 -9.859 -11.670 1.00 0.00 O ATOM 1349 CB ASP A 88 2.946 -12.636 -12.575 1.00 0.00 C ATOM 1350 CG ASP A 88 3.828 -12.945 -11.356 1.00 0.00 C ATOM 1351 OD1 ASP A 88 3.303 -13.021 -10.221 1.00 0.00 O ATOM 1352 OD2 ASP A 88 5.050 -13.136 -11.531 1.00 0.00 O ATOM 0 H ASP A 88 -0.090 -12.105 -12.962 1.00 0.00 H new ATOM 0 HA ASP A 88 1.425 -11.728 -11.389 1.00 0.00 H new ATOM 0 HB2 ASP A 88 2.447 -13.555 -12.881 1.00 0.00 H new ATOM 0 HB3 ASP A 88 3.592 -12.334 -13.400 1.00 0.00 H new ATOM 1357 N ASN A 89 1.565 -9.024 -12.362 1.00 0.00 N ATOM 1358 CA ASN A 89 1.950 -7.597 -12.157 1.00 0.00 C ATOM 1359 C ASN A 89 0.827 -6.633 -11.650 1.00 0.00 C ATOM 1360 O ASN A 89 1.174 -5.646 -11.000 1.00 0.00 O ATOM 1361 CB ASN A 89 2.736 -7.046 -13.380 1.00 0.00 C ATOM 1362 CG ASN A 89 1.949 -6.508 -14.586 1.00 0.00 C ATOM 1363 OD1 ASN A 89 0.989 -7.093 -15.075 1.00 0.00 O ATOM 1364 ND2 ASN A 89 2.327 -5.358 -15.093 1.00 0.00 N ATOM 0 H ASN A 89 0.611 -9.144 -12.702 1.00 0.00 H new ATOM 0 HA ASN A 89 2.622 -7.617 -11.299 1.00 0.00 H new ATOM 0 HB2 ASN A 89 3.382 -6.244 -13.023 1.00 0.00 H new ATOM 0 HB3 ASN A 89 3.387 -7.843 -13.740 1.00 0.00 H new ATOM 0 HD21 ASN A 89 1.823 -4.960 -15.886 1.00 0.00 H new ATOM 0 HD22 ASN A 89 3.124 -4.862 -14.694 1.00 0.00 H new ATOM 1371 N LYS A 90 -0.469 -6.860 -11.937 1.00 0.00 N ATOM 1372 CA LYS A 90 -1.571 -5.947 -11.514 1.00 0.00 C ATOM 1373 C LYS A 90 -2.392 -6.572 -10.341 1.00 0.00 C ATOM 1374 O LYS A 90 -3.128 -7.544 -10.539 1.00 0.00 O ATOM 1375 CB LYS A 90 -2.503 -5.691 -12.728 1.00 0.00 C ATOM 1376 CG LYS A 90 -1.916 -4.940 -13.946 1.00 0.00 C ATOM 1377 CD LYS A 90 -2.808 -5.132 -15.192 1.00 0.00 C ATOM 1378 CE LYS A 90 -2.245 -4.578 -16.512 1.00 0.00 C ATOM 1379 NZ LYS A 90 -2.309 -3.091 -16.559 1.00 0.00 N ATOM 0 H LYS A 90 -0.790 -7.672 -12.464 1.00 0.00 H new ATOM 0 HA LYS A 90 -1.141 -5.008 -11.165 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -2.871 -6.656 -13.076 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -3.367 -5.129 -12.373 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -1.828 -3.878 -13.716 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -0.910 -5.305 -14.154 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -2.997 -6.198 -15.319 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -3.771 -4.658 -15.002 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -1.211 -4.901 -16.630 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -2.806 -4.993 -17.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -2.233 -2.771 -17.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -3.214 -2.770 -16.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -1.525 -2.692 -16.005 1.00 0.00 H new ATOM 1393 N LEU A 91 -2.288 -5.997 -9.135 1.00 0.00 N ATOM 1394 CA LEU A 91 -3.047 -6.457 -7.936 1.00 0.00 C ATOM 1395 C LEU A 91 -4.213 -5.465 -7.622 1.00 0.00 C ATOM 1396 O LEU A 91 -3.969 -4.295 -7.312 1.00 0.00 O ATOM 1397 CB LEU A 91 -2.072 -6.542 -6.734 1.00 0.00 C ATOM 1398 CG LEU A 91 -1.102 -7.747 -6.668 1.00 0.00 C ATOM 1399 CD1 LEU A 91 -0.073 -7.482 -5.561 1.00 0.00 C ATOM 1400 CD2 LEU A 91 -1.802 -9.087 -6.379 1.00 0.00 C ATOM 0 H LEU A 91 -1.679 -5.200 -8.950 1.00 0.00 H new ATOM 0 HA LEU A 91 -3.480 -7.439 -8.127 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -1.474 -5.631 -6.724 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -2.667 -6.542 -5.821 1.00 0.00 H new ATOM 0 HG LEU A 91 -0.637 -7.838 -7.650 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.620 -8.321 -5.500 1.00 0.00 H new ATOM 0 HD12 LEU A 91 0.480 -6.571 -5.789 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.587 -7.365 -4.607 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -1.061 -9.885 -6.347 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -2.315 -9.030 -5.419 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -2.527 -9.296 -7.166 1.00 0.00 H new ATOM 1412 N VAL A 92 -5.473 -5.931 -7.664 1.00 0.00 N ATOM 1413 CA VAL A 92 -6.673 -5.061 -7.441 1.00 0.00 C ATOM 1414 C VAL A 92 -7.492 -5.506 -6.181 1.00 0.00 C ATOM 1415 O VAL A 92 -7.842 -6.685 -6.054 1.00 0.00 O ATOM 1416 CB VAL A 92 -7.555 -4.942 -8.736 1.00 0.00 C ATOM 1417 CG1 VAL A 92 -6.812 -4.287 -9.924 1.00 0.00 C ATOM 1418 CG2 VAL A 92 -8.211 -6.250 -9.239 1.00 0.00 C ATOM 0 H VAL A 92 -5.702 -6.907 -7.850 1.00 0.00 H new ATOM 0 HA VAL A 92 -6.312 -4.055 -7.226 1.00 0.00 H new ATOM 0 HB VAL A 92 -8.359 -4.294 -8.386 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -7.478 -4.236 -10.786 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -6.499 -3.280 -9.647 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -5.935 -4.883 -10.178 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -8.794 -6.043 -10.137 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -7.436 -6.980 -9.470 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -8.867 -6.649 -8.465 1.00 0.00 H new ATOM 1428 N THR A 93 -7.824 -4.574 -5.257 1.00 0.00 N ATOM 1429 CA THR A 93 -8.647 -4.893 -4.044 1.00 0.00 C ATOM 1430 C THR A 93 -9.678 -3.769 -3.673 1.00 0.00 C ATOM 1431 O THR A 93 -9.672 -2.652 -4.208 1.00 0.00 O ATOM 1432 CB THR A 93 -7.747 -5.375 -2.857 1.00 0.00 C ATOM 1433 OG1 THR A 93 -8.532 -6.098 -1.913 1.00 0.00 O ATOM 1434 CG2 THR A 93 -6.961 -4.309 -2.072 1.00 0.00 C ATOM 0 H THR A 93 -7.541 -3.596 -5.319 1.00 0.00 H new ATOM 0 HA THR A 93 -9.284 -5.740 -4.298 1.00 0.00 H new ATOM 0 HB THR A 93 -6.994 -5.978 -3.364 1.00 0.00 H new ATOM 0 HG1 THR A 93 -9.056 -6.782 -2.379 1.00 0.00 H new ATOM 0 HG21 THR A 93 -6.384 -4.790 -1.282 1.00 0.00 H new ATOM 0 HG22 THR A 93 -6.285 -3.785 -2.747 1.00 0.00 H new ATOM 0 HG23 THR A 93 -7.657 -3.596 -1.630 1.00 0.00 H new ATOM 1442 N THR A 94 -10.623 -4.122 -2.787 1.00 0.00 N ATOM 1443 CA THR A 94 -11.668 -3.196 -2.252 1.00 0.00 C ATOM 1444 C THR A 94 -11.372 -3.016 -0.728 1.00 0.00 C ATOM 1445 O THR A 94 -11.674 -3.898 0.082 1.00 0.00 O ATOM 1446 CB THR A 94 -13.095 -3.770 -2.528 1.00 0.00 C ATOM 1447 OG1 THR A 94 -13.310 -4.021 -3.914 1.00 0.00 O ATOM 1448 CG2 THR A 94 -14.237 -2.834 -2.098 1.00 0.00 C ATOM 0 H THR A 94 -10.695 -5.067 -2.409 1.00 0.00 H new ATOM 0 HA THR A 94 -11.640 -2.224 -2.744 1.00 0.00 H new ATOM 0 HB THR A 94 -13.118 -4.685 -1.937 1.00 0.00 H new ATOM 0 HG1 THR A 94 -13.908 -3.337 -4.281 1.00 0.00 H new ATOM 0 HG21 THR A 94 -15.195 -3.302 -2.322 1.00 0.00 H new ATOM 0 HG22 THR A 94 -14.168 -2.644 -1.027 1.00 0.00 H new ATOM 0 HG23 THR A 94 -14.158 -1.891 -2.640 1.00 0.00 H new ATOM 1456 N PHE A 95 -10.782 -1.871 -0.346 1.00 0.00 N ATOM 1457 CA PHE A 95 -10.346 -1.603 1.056 1.00 0.00 C ATOM 1458 C PHE A 95 -11.518 -0.972 1.905 1.00 0.00 C ATOM 1459 O PHE A 95 -12.649 -1.467 1.855 1.00 0.00 O ATOM 1460 CB PHE A 95 -9.036 -0.768 0.860 1.00 0.00 C ATOM 1461 CG PHE A 95 -7.978 -0.832 1.964 1.00 0.00 C ATOM 1462 CD1 PHE A 95 -7.085 -1.905 1.975 1.00 0.00 C ATOM 1463 CD2 PHE A 95 -7.836 0.187 2.912 1.00 0.00 C ATOM 1464 CE1 PHE A 95 -6.111 -2.001 2.964 1.00 0.00 C ATOM 1465 CE2 PHE A 95 -6.847 0.101 3.888 1.00 0.00 C ATOM 1466 CZ PHE A 95 -5.998 -1.002 3.927 1.00 0.00 C ATOM 0 H PHE A 95 -10.590 -1.102 -0.988 1.00 0.00 H new ATOM 0 HA PHE A 95 -10.117 -2.476 1.667 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -8.569 -1.091 -0.071 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -9.321 0.276 0.729 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -7.151 -2.665 1.211 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -8.495 1.042 2.887 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -5.443 -2.850 2.985 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -6.738 0.891 4.616 1.00 0.00 H new ATOM 0 HZ PHE A 95 -5.252 -1.082 4.704 1.00 0.00 H new ATOM 1476 N LYS A 96 -11.295 0.097 2.701 1.00 0.00 N ATOM 1477 CA LYS A 96 -12.389 0.811 3.440 1.00 0.00 C ATOM 1478 C LYS A 96 -13.043 1.852 2.464 1.00 0.00 C ATOM 1479 O LYS A 96 -12.714 3.042 2.489 1.00 0.00 O ATOM 1480 CB LYS A 96 -11.817 1.503 4.714 1.00 0.00 C ATOM 1481 CG LYS A 96 -11.186 0.628 5.823 1.00 0.00 C ATOM 1482 CD LYS A 96 -12.139 -0.177 6.736 1.00 0.00 C ATOM 1483 CE LYS A 96 -12.947 0.662 7.746 1.00 0.00 C ATOM 1484 NZ LYS A 96 -13.533 -0.237 8.781 1.00 0.00 N ATOM 0 H LYS A 96 -10.368 0.494 2.856 1.00 0.00 H new ATOM 0 HA LYS A 96 -13.149 0.104 3.772 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -11.061 2.218 4.389 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -12.625 2.077 5.168 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -10.504 -0.076 5.346 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -10.582 1.276 6.458 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -12.837 -0.730 6.108 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -11.553 -0.913 7.286 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -12.302 1.405 8.216 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -13.739 1.207 7.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -13.716 0.306 9.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -14.426 -0.637 8.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -12.866 -1.008 8.989 1.00 0.00 H new ATOM 1498 N ASN A 97 -13.933 1.391 1.558 1.00 0.00 N ATOM 1499 CA ASN A 97 -14.514 2.219 0.456 1.00 0.00 C ATOM 1500 C ASN A 97 -13.470 2.885 -0.532 1.00 0.00 C ATOM 1501 O ASN A 97 -13.698 3.970 -1.071 1.00 0.00 O ATOM 1502 CB ASN A 97 -15.595 3.180 1.021 1.00 0.00 C ATOM 1503 CG ASN A 97 -16.787 2.541 1.749 1.00 0.00 C ATOM 1504 OD1 ASN A 97 -16.750 2.274 2.945 1.00 0.00 O ATOM 1505 ND2 ASN A 97 -17.874 2.269 1.068 1.00 0.00 N ATOM 0 H ASN A 97 -14.276 0.430 1.563 1.00 0.00 H new ATOM 0 HA ASN A 97 -15.014 1.528 -0.223 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -15.108 3.870 1.710 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -15.983 3.776 0.195 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -18.674 1.841 1.534 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -17.920 2.485 0.072 1.00 0.00 H new ATOM 1512 N ILE A 98 -12.343 2.194 -0.793 1.00 0.00 N ATOM 1513 CA ILE A 98 -11.212 2.692 -1.631 1.00 0.00 C ATOM 1514 C ILE A 98 -10.836 1.530 -2.612 1.00 0.00 C ATOM 1515 O ILE A 98 -10.597 0.391 -2.184 1.00 0.00 O ATOM 1516 CB ILE A 98 -9.978 3.086 -0.729 1.00 0.00 C ATOM 1517 CG1 ILE A 98 -10.239 4.161 0.373 1.00 0.00 C ATOM 1518 CG2 ILE A 98 -8.735 3.534 -1.544 1.00 0.00 C ATOM 1519 CD1 ILE A 98 -9.523 3.875 1.705 1.00 0.00 C ATOM 0 H ILE A 98 -12.181 1.256 -0.425 1.00 0.00 H new ATOM 0 HA ILE A 98 -11.499 3.588 -2.181 1.00 0.00 H new ATOM 0 HB ILE A 98 -9.785 2.141 -0.221 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -9.918 5.134 0.001 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -11.312 4.227 0.555 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -7.925 3.790 -0.861 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -8.416 2.722 -2.197 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -8.990 4.405 -2.147 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -9.753 4.666 2.419 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -9.861 2.918 2.102 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -8.446 3.839 1.539 1.00 0.00 H new ATOM 1531 N LYS A 99 -10.737 1.814 -3.924 1.00 0.00 N ATOM 1532 CA LYS A 99 -10.274 0.804 -4.915 1.00 0.00 C ATOM 1533 C LYS A 99 -8.718 0.911 -5.061 1.00 0.00 C ATOM 1534 O LYS A 99 -8.196 1.822 -5.718 1.00 0.00 O ATOM 1535 CB LYS A 99 -11.077 0.972 -6.231 1.00 0.00 C ATOM 1536 CG LYS A 99 -10.835 -0.141 -7.289 1.00 0.00 C ATOM 1537 CD LYS A 99 -12.079 -0.983 -7.663 1.00 0.00 C ATOM 1538 CE LYS A 99 -12.745 -1.796 -6.532 1.00 0.00 C ATOM 1539 NZ LYS A 99 -11.886 -2.913 -6.055 1.00 0.00 N ATOM 0 H LYS A 99 -10.967 2.722 -4.327 1.00 0.00 H new ATOM 0 HA LYS A 99 -10.470 -0.216 -4.585 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -12.140 1.000 -5.991 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -10.825 1.936 -6.674 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -10.444 0.322 -8.195 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -10.062 -0.812 -6.915 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -12.828 -0.312 -8.083 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -11.793 -1.676 -8.454 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -12.972 -1.133 -5.697 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -13.694 -2.197 -6.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -12.421 -3.499 -5.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -11.592 -3.496 -6.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -11.044 -2.526 -5.583 1.00 0.00 H new ATOM 1553 N SER A 100 -7.995 -0.021 -4.411 1.00 0.00 N ATOM 1554 CA SER A 100 -6.508 -0.046 -4.412 1.00 0.00 C ATOM 1555 C SER A 100 -5.953 -0.899 -5.589 1.00 0.00 C ATOM 1556 O SER A 100 -6.211 -2.104 -5.677 1.00 0.00 O ATOM 1557 CB SER A 100 -6.040 -0.557 -3.032 1.00 0.00 C ATOM 1558 OG SER A 100 -4.620 -0.465 -2.898 1.00 0.00 O ATOM 0 H SER A 100 -8.417 -0.777 -3.871 1.00 0.00 H new ATOM 0 HA SER A 100 -6.112 0.957 -4.572 1.00 0.00 H new ATOM 0 HB2 SER A 100 -6.520 0.024 -2.245 1.00 0.00 H new ATOM 0 HB3 SER A 100 -6.353 -1.593 -2.900 1.00 0.00 H new ATOM 0 HG SER A 100 -4.353 -0.794 -2.014 1.00 0.00 H new ATOM 1564 N VAL A 101 -5.185 -0.250 -6.477 1.00 0.00 N ATOM 1565 CA VAL A 101 -4.604 -0.888 -7.694 1.00 0.00 C ATOM 1566 C VAL A 101 -3.046 -0.830 -7.562 1.00 0.00 C ATOM 1567 O VAL A 101 -2.451 0.245 -7.693 1.00 0.00 O ATOM 1568 CB VAL A 101 -5.138 -0.153 -8.978 1.00 0.00 C ATOM 1569 CG1 VAL A 101 -4.504 -0.674 -10.290 1.00 0.00 C ATOM 1570 CG2 VAL A 101 -6.677 -0.204 -9.153 1.00 0.00 C ATOM 0 H VAL A 101 -4.942 0.736 -6.381 1.00 0.00 H new ATOM 0 HA VAL A 101 -4.903 -1.932 -7.788 1.00 0.00 H new ATOM 0 HB VAL A 101 -4.837 0.879 -8.800 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -4.916 -0.125 -11.136 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -3.424 -0.530 -10.255 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -4.724 -1.735 -10.404 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -6.958 0.327 -10.063 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -7.001 -1.242 -9.224 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -7.157 0.268 -8.295 1.00 0.00 H new ATOM 1580 N THR A 102 -2.378 -1.973 -7.327 1.00 0.00 N ATOM 1581 CA THR A 102 -0.889 -2.031 -7.229 1.00 0.00 C ATOM 1582 C THR A 102 -0.302 -2.606 -8.561 1.00 0.00 C ATOM 1583 O THR A 102 -0.524 -3.788 -8.847 1.00 0.00 O ATOM 1584 CB THR A 102 -0.390 -2.828 -5.980 1.00 0.00 C ATOM 1585 OG1 THR A 102 -1.184 -2.612 -4.816 1.00 0.00 O ATOM 1586 CG2 THR A 102 1.065 -2.508 -5.612 1.00 0.00 C ATOM 0 H THR A 102 -2.836 -2.875 -7.200 1.00 0.00 H new ATOM 0 HA THR A 102 -0.522 -1.015 -7.086 1.00 0.00 H new ATOM 0 HB THR A 102 -0.476 -3.870 -6.288 1.00 0.00 H new ATOM 0 HG1 THR A 102 -1.187 -1.657 -4.594 1.00 0.00 H new ATOM 0 HG21 THR A 102 1.356 -3.091 -4.738 1.00 0.00 H new ATOM 0 HG22 THR A 102 1.716 -2.760 -6.449 1.00 0.00 H new ATOM 0 HG23 THR A 102 1.158 -1.445 -5.387 1.00 0.00 H new ATOM 1594 N GLU A 103 0.433 -1.808 -9.372 1.00 0.00 N ATOM 1595 CA GLU A 103 1.021 -2.305 -10.650 1.00 0.00 C ATOM 1596 C GLU A 103 2.577 -2.377 -10.593 1.00 0.00 C ATOM 1597 O GLU A 103 3.258 -1.431 -10.183 1.00 0.00 O ATOM 1598 CB GLU A 103 0.558 -1.450 -11.855 1.00 0.00 C ATOM 1599 CG GLU A 103 0.781 -2.148 -13.225 1.00 0.00 C ATOM 1600 CD GLU A 103 0.266 -1.384 -14.425 1.00 0.00 C ATOM 1601 OE1 GLU A 103 0.956 -0.449 -14.882 1.00 0.00 O ATOM 1602 OE2 GLU A 103 -0.813 -1.743 -14.942 1.00 0.00 O ATOM 0 H GLU A 103 0.634 -0.828 -9.172 1.00 0.00 H new ATOM 0 HA GLU A 103 0.652 -3.321 -10.789 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -0.501 -1.218 -11.741 1.00 0.00 H new ATOM 0 HB3 GLU A 103 1.095 -0.502 -11.846 1.00 0.00 H new ATOM 0 HG2 GLU A 103 1.849 -2.324 -13.356 1.00 0.00 H new ATOM 0 HG3 GLU A 103 0.298 -3.125 -13.201 1.00 0.00 H new ATOM 1609 N LEU A 104 3.128 -3.497 -11.076 1.00 0.00 N ATOM 1610 CA LEU A 104 4.593 -3.716 -11.165 1.00 0.00 C ATOM 1611 C LEU A 104 5.059 -3.532 -12.646 1.00 0.00 C ATOM 1612 O LEU A 104 4.683 -4.304 -13.535 1.00 0.00 O ATOM 1613 CB LEU A 104 4.935 -5.119 -10.577 1.00 0.00 C ATOM 1614 CG LEU A 104 6.199 -5.187 -9.686 1.00 0.00 C ATOM 1615 CD1 LEU A 104 6.395 -6.629 -9.205 1.00 0.00 C ATOM 1616 CD2 LEU A 104 7.486 -4.722 -10.385 1.00 0.00 C ATOM 0 H LEU A 104 2.577 -4.284 -11.419 1.00 0.00 H new ATOM 0 HA LEU A 104 5.138 -2.980 -10.573 1.00 0.00 H new ATOM 0 HB2 LEU A 104 4.082 -5.464 -9.992 1.00 0.00 H new ATOM 0 HB3 LEU A 104 5.059 -5.818 -11.404 1.00 0.00 H new ATOM 0 HG LEU A 104 6.027 -4.500 -8.857 1.00 0.00 H new ATOM 0 HD11 LEU A 104 7.284 -6.685 -8.577 1.00 0.00 H new ATOM 0 HD12 LEU A 104 5.524 -6.942 -8.630 1.00 0.00 H new ATOM 0 HD13 LEU A 104 6.517 -7.286 -10.066 1.00 0.00 H new ATOM 0 HD21 LEU A 104 8.325 -4.801 -9.693 1.00 0.00 H new ATOM 0 HD22 LEU A 104 7.674 -5.350 -11.256 1.00 0.00 H new ATOM 0 HD23 LEU A 104 7.373 -3.685 -10.702 1.00 0.00 H new ATOM 1628 N ASN A 105 5.870 -2.499 -12.923 1.00 0.00 N ATOM 1629 CA ASN A 105 6.394 -2.227 -14.295 1.00 0.00 C ATOM 1630 C ASN A 105 7.905 -2.623 -14.356 1.00 0.00 C ATOM 1631 O ASN A 105 8.798 -1.795 -14.150 1.00 0.00 O ATOM 1632 CB ASN A 105 6.089 -0.745 -14.653 1.00 0.00 C ATOM 1633 CG ASN A 105 4.642 -0.473 -15.093 1.00 0.00 C ATOM 1634 OD1 ASN A 105 4.316 -0.536 -16.272 1.00 0.00 O ATOM 1635 ND2 ASN A 105 3.741 -0.182 -14.183 1.00 0.00 N ATOM 0 H ASN A 105 6.185 -1.829 -12.221 1.00 0.00 H new ATOM 0 HA ASN A 105 5.902 -2.834 -15.056 1.00 0.00 H new ATOM 0 HB2 ASN A 105 6.313 -0.123 -13.786 1.00 0.00 H new ATOM 0 HB3 ASN A 105 6.762 -0.433 -15.452 1.00 0.00 H new ATOM 0 HD21 ASN A 105 2.774 -0.010 -14.459 1.00 0.00 H new ATOM 0 HD22 ASN A 105 4.008 -0.128 -13.200 1.00 0.00 H new ATOM 1642 N GLY A 106 8.184 -3.917 -14.622 1.00 0.00 N ATOM 1643 CA GLY A 106 9.573 -4.458 -14.638 1.00 0.00 C ATOM 1644 C GLY A 106 10.123 -4.702 -13.217 1.00 0.00 C ATOM 1645 O GLY A 106 9.816 -5.725 -12.603 1.00 0.00 O ATOM 0 H GLY A 106 7.468 -4.613 -14.830 1.00 0.00 H new ATOM 0 HA2 GLY A 106 9.590 -5.393 -15.197 1.00 0.00 H new ATOM 0 HA3 GLY A 106 10.226 -3.761 -15.163 1.00 0.00 H new ATOM 1649 N ASP A 107 10.909 -3.741 -12.712 1.00 0.00 N ATOM 1650 CA ASP A 107 11.394 -3.744 -11.294 1.00 0.00 C ATOM 1651 C ASP A 107 11.046 -2.418 -10.505 1.00 0.00 C ATOM 1652 O ASP A 107 11.759 -2.013 -9.578 1.00 0.00 O ATOM 1653 CB ASP A 107 12.900 -4.132 -11.273 1.00 0.00 C ATOM 1654 CG ASP A 107 13.205 -5.608 -11.548 1.00 0.00 C ATOM 1655 OD1 ASP A 107 12.627 -6.491 -10.873 1.00 0.00 O ATOM 1656 OD2 ASP A 107 14.045 -5.889 -12.426 1.00 0.00 O ATOM 0 H ASP A 107 11.233 -2.941 -13.255 1.00 0.00 H new ATOM 0 HA ASP A 107 10.848 -4.504 -10.736 1.00 0.00 H new ATOM 0 HB2 ASP A 107 13.423 -3.527 -12.013 1.00 0.00 H new ATOM 0 HB3 ASP A 107 13.311 -3.870 -10.298 1.00 0.00 H new ATOM 1661 N ILE A 108 9.915 -1.758 -10.831 1.00 0.00 N ATOM 1662 CA ILE A 108 9.390 -0.567 -10.109 1.00 0.00 C ATOM 1663 C ILE A 108 7.878 -0.830 -9.821 1.00 0.00 C ATOM 1664 O ILE A 108 7.105 -1.156 -10.731 1.00 0.00 O ATOM 1665 CB ILE A 108 9.693 0.814 -10.770 1.00 0.00 C ATOM 1666 CG1 ILE A 108 8.909 1.130 -12.066 1.00 0.00 C ATOM 1667 CG2 ILE A 108 11.203 1.083 -10.977 1.00 0.00 C ATOM 1668 CD1 ILE A 108 7.618 1.925 -11.815 1.00 0.00 C ATOM 0 H ILE A 108 9.327 -2.038 -11.616 1.00 0.00 H new ATOM 0 HA ILE A 108 9.936 -0.459 -9.172 1.00 0.00 H new ATOM 0 HB ILE A 108 9.316 1.509 -10.019 1.00 0.00 H new ATOM 0 HG12 ILE A 108 9.550 1.695 -12.742 1.00 0.00 H new ATOM 0 HG13 ILE A 108 8.660 0.196 -12.569 1.00 0.00 H new ATOM 0 HG21 ILE A 108 11.338 2.060 -11.440 1.00 0.00 H new ATOM 0 HG22 ILE A 108 11.711 1.065 -10.013 1.00 0.00 H new ATOM 0 HG23 ILE A 108 11.624 0.313 -11.624 1.00 0.00 H new ATOM 0 HD11 ILE A 108 7.116 2.113 -12.764 1.00 0.00 H new ATOM 0 HD12 ILE A 108 6.958 1.352 -11.164 1.00 0.00 H new ATOM 0 HD13 ILE A 108 7.862 2.875 -11.339 1.00 0.00 H new ATOM 1680 N ILE A 109 7.450 -0.686 -8.562 1.00 0.00 N ATOM 1681 CA ILE A 109 6.039 -0.924 -8.148 1.00 0.00 C ATOM 1682 C ILE A 109 5.287 0.412 -7.861 1.00 0.00 C ATOM 1683 O ILE A 109 5.819 1.310 -7.198 1.00 0.00 O ATOM 1684 CB ILE A 109 6.016 -1.941 -6.950 1.00 0.00 C ATOM 1685 CG1 ILE A 109 4.615 -2.583 -6.759 1.00 0.00 C ATOM 1686 CG2 ILE A 109 6.527 -1.355 -5.604 1.00 0.00 C ATOM 1687 CD1 ILE A 109 4.614 -3.849 -5.889 1.00 0.00 C ATOM 0 H ILE A 109 8.060 -0.403 -7.795 1.00 0.00 H new ATOM 0 HA ILE A 109 5.485 -1.378 -8.970 1.00 0.00 H new ATOM 0 HB ILE A 109 6.726 -2.717 -7.238 1.00 0.00 H new ATOM 0 HG12 ILE A 109 3.949 -1.847 -6.309 1.00 0.00 H new ATOM 0 HG13 ILE A 109 4.204 -2.829 -7.738 1.00 0.00 H new ATOM 0 HG21 ILE A 109 6.478 -2.122 -4.831 1.00 0.00 H new ATOM 0 HG22 ILE A 109 7.559 -1.023 -5.720 1.00 0.00 H new ATOM 0 HG23 ILE A 109 5.904 -0.509 -5.316 1.00 0.00 H new ATOM 0 HD11 ILE A 109 3.597 -4.233 -5.807 1.00 0.00 H new ATOM 0 HD12 ILE A 109 5.252 -4.605 -6.347 1.00 0.00 H new ATOM 0 HD13 ILE A 109 4.992 -3.608 -4.896 1.00 0.00 H new ATOM 1699 N THR A 110 4.037 0.530 -8.339 1.00 0.00 N ATOM 1700 CA THR A 110 3.170 1.704 -8.039 1.00 0.00 C ATOM 1701 C THR A 110 1.901 1.268 -7.261 1.00 0.00 C ATOM 1702 O THR A 110 1.174 0.395 -7.732 1.00 0.00 O ATOM 1703 CB THR A 110 2.854 2.548 -9.311 1.00 0.00 C ATOM 1704 OG1 THR A 110 2.514 3.887 -8.947 1.00 0.00 O ATOM 1705 CG2 THR A 110 1.736 2.053 -10.235 1.00 0.00 C ATOM 0 H THR A 110 3.595 -0.169 -8.936 1.00 0.00 H new ATOM 0 HA THR A 110 3.727 2.374 -7.384 1.00 0.00 H new ATOM 0 HB THR A 110 3.781 2.460 -9.878 1.00 0.00 H new ATOM 0 HG1 THR A 110 2.519 3.972 -7.971 1.00 0.00 H new ATOM 0 HG21 THR A 110 1.629 2.738 -11.076 1.00 0.00 H new ATOM 0 HG22 THR A 110 1.984 1.059 -10.606 1.00 0.00 H new ATOM 0 HG23 THR A 110 0.798 2.010 -9.681 1.00 0.00 H new ATOM 1713 N ASN A 111 1.608 1.886 -6.107 1.00 0.00 N ATOM 1714 CA ASN A 111 0.368 1.589 -5.336 1.00 0.00 C ATOM 1715 C ASN A 111 -0.620 2.776 -5.512 1.00 0.00 C ATOM 1716 O ASN A 111 -0.408 3.851 -4.943 1.00 0.00 O ATOM 1717 CB ASN A 111 0.716 1.271 -3.861 1.00 0.00 C ATOM 1718 CG ASN A 111 -0.442 0.592 -3.124 1.00 0.00 C ATOM 1719 OD1 ASN A 111 -0.816 -0.534 -3.431 1.00 0.00 O ATOM 1720 ND2 ASN A 111 -1.078 1.248 -2.186 1.00 0.00 N ATOM 0 H ASN A 111 2.204 2.594 -5.679 1.00 0.00 H new ATOM 0 HA ASN A 111 -0.129 0.696 -5.715 1.00 0.00 H new ATOM 0 HB2 ASN A 111 1.593 0.625 -3.828 1.00 0.00 H new ATOM 0 HB3 ASN A 111 0.981 2.194 -3.345 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -1.877 0.821 -1.718 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -0.774 2.186 -1.924 1.00 0.00 H new ATOM 1727 N THR A 112 -1.681 2.571 -6.309 1.00 0.00 N ATOM 1728 CA THR A 112 -2.673 3.632 -6.639 1.00 0.00 C ATOM 1729 C THR A 112 -4.001 3.402 -5.849 1.00 0.00 C ATOM 1730 O THR A 112 -4.846 2.584 -6.230 1.00 0.00 O ATOM 1731 CB THR A 112 -2.865 3.666 -8.187 1.00 0.00 C ATOM 1732 OG1 THR A 112 -1.611 3.694 -8.866 1.00 0.00 O ATOM 1733 CG2 THR A 112 -3.634 4.892 -8.691 1.00 0.00 C ATOM 0 H THR A 112 -1.884 1.672 -6.746 1.00 0.00 H new ATOM 0 HA THR A 112 -2.313 4.613 -6.329 1.00 0.00 H new ATOM 0 HB THR A 112 -3.433 2.760 -8.400 1.00 0.00 H new ATOM 0 HG1 THR A 112 -1.763 3.713 -9.834 1.00 0.00 H new ATOM 0 HG21 THR A 112 -3.726 4.843 -9.776 1.00 0.00 H new ATOM 0 HG22 THR A 112 -4.627 4.908 -8.243 1.00 0.00 H new ATOM 0 HG23 THR A 112 -3.096 5.798 -8.413 1.00 0.00 H new ATOM 1741 N MET A 113 -4.181 4.137 -4.741 1.00 0.00 N ATOM 1742 CA MET A 113 -5.414 4.080 -3.909 1.00 0.00 C ATOM 1743 C MET A 113 -6.442 5.137 -4.410 1.00 0.00 C ATOM 1744 O MET A 113 -6.326 6.340 -4.149 1.00 0.00 O ATOM 1745 CB MET A 113 -5.057 4.258 -2.413 1.00 0.00 C ATOM 1746 CG MET A 113 -4.520 2.991 -1.727 1.00 0.00 C ATOM 1747 SD MET A 113 -4.501 3.231 0.059 1.00 0.00 S ATOM 1748 CE MET A 113 -4.541 1.510 0.585 1.00 0.00 C ATOM 0 H MET A 113 -3.482 4.791 -4.388 1.00 0.00 H new ATOM 0 HA MET A 113 -5.883 3.101 -4.010 1.00 0.00 H new ATOM 0 HB2 MET A 113 -4.311 5.048 -2.323 1.00 0.00 H new ATOM 0 HB3 MET A 113 -5.945 4.596 -1.879 1.00 0.00 H new ATOM 0 HG2 MET A 113 -5.144 2.135 -1.982 1.00 0.00 H new ATOM 0 HG3 MET A 113 -3.514 2.770 -2.085 1.00 0.00 H new ATOM 0 HE1 MET A 113 -4.534 1.462 1.674 1.00 0.00 H new ATOM 0 HE2 MET A 113 -5.446 1.035 0.206 1.00 0.00 H new ATOM 0 HE3 MET A 113 -3.667 0.990 0.194 1.00 0.00 H new ATOM 1758 N THR A 114 -7.456 4.651 -5.137 1.00 0.00 N ATOM 1759 CA THR A 114 -8.493 5.510 -5.772 1.00 0.00 C ATOM 1760 C THR A 114 -9.757 5.636 -4.862 1.00 0.00 C ATOM 1761 O THR A 114 -10.503 4.672 -4.650 1.00 0.00 O ATOM 1762 CB THR A 114 -8.829 5.018 -7.216 1.00 0.00 C ATOM 1763 OG1 THR A 114 -9.362 3.700 -7.223 1.00 0.00 O ATOM 1764 CG2 THR A 114 -7.655 5.022 -8.206 1.00 0.00 C ATOM 0 H THR A 114 -7.591 3.654 -5.308 1.00 0.00 H new ATOM 0 HA THR A 114 -8.087 6.516 -5.877 1.00 0.00 H new ATOM 0 HB THR A 114 -9.560 5.755 -7.548 1.00 0.00 H new ATOM 0 HG1 THR A 114 -8.710 3.082 -6.832 1.00 0.00 H new ATOM 0 HG21 THR A 114 -7.997 4.663 -9.177 1.00 0.00 H new ATOM 0 HG22 THR A 114 -7.270 6.036 -8.309 1.00 0.00 H new ATOM 0 HG23 THR A 114 -6.864 4.369 -7.836 1.00 0.00 H new ATOM 1772 N LEU A 115 -9.973 6.841 -4.309 1.00 0.00 N ATOM 1773 CA LEU A 115 -11.160 7.167 -3.468 1.00 0.00 C ATOM 1774 C LEU A 115 -12.045 8.200 -4.240 1.00 0.00 C ATOM 1775 O LEU A 115 -12.001 9.407 -3.975 1.00 0.00 O ATOM 1776 CB LEU A 115 -10.609 7.630 -2.087 1.00 0.00 C ATOM 1777 CG LEU A 115 -11.617 8.161 -1.033 1.00 0.00 C ATOM 1778 CD1 LEU A 115 -12.680 7.127 -0.622 1.00 0.00 C ATOM 1779 CD2 LEU A 115 -10.855 8.639 0.214 1.00 0.00 C ATOM 0 H LEU A 115 -9.333 7.626 -4.427 1.00 0.00 H new ATOM 0 HA LEU A 115 -11.825 6.326 -3.273 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -10.076 6.789 -1.643 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -9.874 8.414 -2.268 1.00 0.00 H new ATOM 0 HG LEU A 115 -12.151 8.987 -1.502 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -13.350 7.567 0.117 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -13.254 6.827 -1.499 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -12.190 6.253 -0.192 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -11.564 9.012 0.953 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -10.293 7.807 0.638 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -10.167 9.438 -0.064 1.00 0.00 H new ATOM 1791 N GLY A 116 -12.836 7.712 -5.221 1.00 0.00 N ATOM 1792 CA GLY A 116 -13.689 8.578 -6.084 1.00 0.00 C ATOM 1793 C GLY A 116 -12.896 9.500 -7.037 1.00 0.00 C ATOM 1794 O GLY A 116 -12.483 9.088 -8.123 1.00 0.00 O ATOM 0 H GLY A 116 -12.906 6.718 -5.440 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -14.349 7.944 -6.676 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -14.325 9.193 -5.447 1.00 0.00 H new ATOM 1798 N ASP A 117 -12.688 10.737 -6.581 1.00 0.00 N ATOM 1799 CA ASP A 117 -11.842 11.750 -7.283 1.00 0.00 C ATOM 1800 C ASP A 117 -10.343 11.770 -6.798 1.00 0.00 C ATOM 1801 O ASP A 117 -9.452 12.158 -7.559 1.00 0.00 O ATOM 1802 CB ASP A 117 -12.483 13.153 -7.101 1.00 0.00 C ATOM 1803 CG ASP A 117 -13.831 13.361 -7.792 1.00 0.00 C ATOM 1804 OD1 ASP A 117 -13.849 13.581 -9.022 1.00 0.00 O ATOM 1805 OD2 ASP A 117 -14.874 13.311 -7.104 1.00 0.00 O ATOM 0 H ASP A 117 -13.096 11.082 -5.712 1.00 0.00 H new ATOM 0 HA ASP A 117 -11.810 11.469 -8.336 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -12.610 13.339 -6.034 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -11.785 13.902 -7.474 1.00 0.00 H new ATOM 1810 N ILE A 118 -10.053 11.366 -5.543 1.00 0.00 N ATOM 1811 CA ILE A 118 -8.685 11.362 -4.959 1.00 0.00 C ATOM 1812 C ILE A 118 -7.888 10.108 -5.465 1.00 0.00 C ATOM 1813 O ILE A 118 -8.291 8.964 -5.225 1.00 0.00 O ATOM 1814 CB ILE A 118 -8.769 11.364 -3.390 1.00 0.00 C ATOM 1815 CG1 ILE A 118 -9.715 12.389 -2.687 1.00 0.00 C ATOM 1816 CG2 ILE A 118 -7.358 11.440 -2.753 1.00 0.00 C ATOM 1817 CD1 ILE A 118 -9.298 13.869 -2.694 1.00 0.00 C ATOM 0 H ILE A 118 -10.766 11.029 -4.896 1.00 0.00 H new ATOM 0 HA ILE A 118 -8.159 12.261 -5.280 1.00 0.00 H new ATOM 0 HB ILE A 118 -9.256 10.407 -3.203 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -10.697 12.315 -3.155 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -9.833 12.079 -1.649 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -7.449 11.440 -1.667 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -6.770 10.578 -3.068 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -6.862 12.356 -3.075 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -10.049 14.461 -2.171 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -8.336 13.978 -2.193 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -9.213 14.218 -3.723 1.00 0.00 H new ATOM 1829 N VAL A 119 -6.724 10.329 -6.097 1.00 0.00 N ATOM 1830 CA VAL A 119 -5.867 9.223 -6.625 1.00 0.00 C ATOM 1831 C VAL A 119 -4.521 9.220 -5.823 1.00 0.00 C ATOM 1832 O VAL A 119 -3.550 9.864 -6.228 1.00 0.00 O ATOM 1833 CB VAL A 119 -5.717 9.370 -8.184 1.00 0.00 C ATOM 1834 CG1 VAL A 119 -4.826 8.277 -8.814 1.00 0.00 C ATOM 1835 CG2 VAL A 119 -7.060 9.341 -8.959 1.00 0.00 C ATOM 0 H VAL A 119 -6.343 11.261 -6.261 1.00 0.00 H new ATOM 0 HA VAL A 119 -6.317 8.242 -6.476 1.00 0.00 H new ATOM 0 HB VAL A 119 -5.256 10.353 -8.284 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -4.763 8.435 -9.891 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -3.827 8.327 -8.381 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -5.258 7.296 -8.616 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -6.867 9.448 -10.026 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -7.566 8.393 -8.775 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -7.693 10.161 -8.621 1.00 0.00 H new ATOM 1845 N PHE A 120 -4.442 8.505 -4.679 1.00 0.00 N ATOM 1846 CA PHE A 120 -3.187 8.413 -3.872 1.00 0.00 C ATOM 1847 C PHE A 120 -2.187 7.406 -4.521 1.00 0.00 C ATOM 1848 O PHE A 120 -2.324 6.191 -4.360 1.00 0.00 O ATOM 1849 CB PHE A 120 -3.540 8.123 -2.383 1.00 0.00 C ATOM 1850 CG PHE A 120 -2.375 7.762 -1.430 1.00 0.00 C ATOM 1851 CD1 PHE A 120 -1.169 8.473 -1.465 1.00 0.00 C ATOM 1852 CD2 PHE A 120 -2.478 6.642 -0.597 1.00 0.00 C ATOM 1853 CE1 PHE A 120 -0.071 8.033 -0.736 1.00 0.00 C ATOM 1854 CE2 PHE A 120 -1.379 6.208 0.141 1.00 0.00 C ATOM 1855 CZ PHE A 120 -0.174 6.902 0.067 1.00 0.00 C ATOM 0 H PHE A 120 -5.225 7.982 -4.288 1.00 0.00 H new ATOM 0 HA PHE A 120 -2.660 9.367 -3.872 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -4.045 9.001 -1.980 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -4.259 7.304 -2.361 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -1.092 9.369 -2.063 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -3.416 6.111 -0.526 1.00 0.00 H new ATOM 0 HE1 PHE A 120 0.864 8.570 -0.793 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -1.462 5.334 0.770 1.00 0.00 H new ATOM 0 HZ PHE A 120 0.681 6.562 0.633 1.00 0.00 H new ATOM 1865 N LYS A 121 -1.170 7.933 -5.222 1.00 0.00 N ATOM 1866 CA LYS A 121 -0.203 7.092 -5.974 1.00 0.00 C ATOM 1867 C LYS A 121 1.244 7.099 -5.389 1.00 0.00 C ATOM 1868 O LYS A 121 1.959 8.103 -5.450 1.00 0.00 O ATOM 1869 CB LYS A 121 -0.258 7.546 -7.456 1.00 0.00 C ATOM 1870 CG LYS A 121 0.448 6.595 -8.448 1.00 0.00 C ATOM 1871 CD LYS A 121 0.335 7.113 -9.892 1.00 0.00 C ATOM 1872 CE LYS A 121 1.024 6.174 -10.894 1.00 0.00 C ATOM 1873 NZ LYS A 121 0.890 6.751 -12.257 1.00 0.00 N ATOM 0 H LYS A 121 -0.990 8.935 -5.288 1.00 0.00 H new ATOM 0 HA LYS A 121 -0.495 6.046 -5.884 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -1.302 7.648 -7.752 1.00 0.00 H new ATOM 0 HB3 LYS A 121 0.195 8.534 -7.536 1.00 0.00 H new ATOM 0 HG2 LYS A 121 1.499 6.496 -8.176 1.00 0.00 H new ATOM 0 HG3 LYS A 121 0.006 5.601 -8.380 1.00 0.00 H new ATOM 0 HD2 LYS A 121 -0.717 7.219 -10.158 1.00 0.00 H new ATOM 0 HD3 LYS A 121 0.782 8.105 -9.958 1.00 0.00 H new ATOM 0 HE2 LYS A 121 2.076 6.053 -10.637 1.00 0.00 H new ATOM 0 HE3 LYS A 121 0.571 5.183 -10.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 1.353 6.125 -12.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 -0.118 6.845 -12.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 1.341 7.688 -12.283 1.00 0.00 H new ATOM 1887 N ARG A 122 1.691 5.948 -4.860 1.00 0.00 N ATOM 1888 CA ARG A 122 3.123 5.732 -4.504 1.00 0.00 C ATOM 1889 C ARG A 122 3.909 5.167 -5.740 1.00 0.00 C ATOM 1890 O ARG A 122 3.347 4.480 -6.601 1.00 0.00 O ATOM 1891 CB ARG A 122 3.245 4.749 -3.307 1.00 0.00 C ATOM 1892 CG ARG A 122 3.128 5.369 -1.894 1.00 0.00 C ATOM 1893 CD ARG A 122 3.578 4.355 -0.826 1.00 0.00 C ATOM 1894 NE ARG A 122 3.709 4.969 0.520 1.00 0.00 N ATOM 1895 CZ ARG A 122 4.304 4.387 1.564 1.00 0.00 C ATOM 1896 NH1 ARG A 122 4.761 3.157 1.560 1.00 0.00 N ATOM 1897 NH2 ARG A 122 4.453 5.085 2.651 1.00 0.00 N ATOM 0 H ARG A 122 1.090 5.147 -4.666 1.00 0.00 H new ATOM 0 HA ARG A 122 3.554 6.691 -4.215 1.00 0.00 H new ATOM 0 HB2 ARG A 122 2.473 3.987 -3.411 1.00 0.00 H new ATOM 0 HB3 ARG A 122 4.207 4.241 -3.379 1.00 0.00 H new ATOM 0 HG2 ARG A 122 3.741 6.268 -1.832 1.00 0.00 H new ATOM 0 HG3 ARG A 122 2.098 5.672 -1.707 1.00 0.00 H new ATOM 0 HD2 ARG A 122 2.859 3.537 -0.780 1.00 0.00 H new ATOM 0 HD3 ARG A 122 4.535 3.923 -1.120 1.00 0.00 H new ATOM 0 HE ARG A 122 3.317 5.901 0.656 1.00 0.00 H new ATOM 0 HH11 ARG A 122 4.672 2.582 0.722 1.00 0.00 H new ATOM 0 HH12 ARG A 122 5.206 2.775 2.395 1.00 0.00 H new ATOM 0 HH21 ARG A 122 4.119 6.048 2.688 1.00 0.00 H new ATOM 0 HH22 ARG A 122 4.904 4.669 3.466 1.00 0.00 H new ATOM 1911 N ILE A 123 5.216 5.463 -5.818 1.00 0.00 N ATOM 1912 CA ILE A 123 6.128 4.929 -6.873 1.00 0.00 C ATOM 1913 C ILE A 123 7.412 4.465 -6.098 1.00 0.00 C ATOM 1914 O ILE A 123 8.199 5.299 -5.634 1.00 0.00 O ATOM 1915 CB ILE A 123 6.414 5.954 -8.036 1.00 0.00 C ATOM 1916 CG1 ILE A 123 5.158 6.464 -8.817 1.00 0.00 C ATOM 1917 CG2 ILE A 123 7.392 5.350 -9.080 1.00 0.00 C ATOM 1918 CD1 ILE A 123 4.456 7.704 -8.229 1.00 0.00 C ATOM 0 H ILE A 123 5.683 6.081 -5.154 1.00 0.00 H new ATOM 0 HA ILE A 123 5.674 4.098 -7.413 1.00 0.00 H new ATOM 0 HB ILE A 123 6.840 6.811 -7.515 1.00 0.00 H new ATOM 0 HG12 ILE A 123 5.458 6.692 -9.840 1.00 0.00 H new ATOM 0 HG13 ILE A 123 4.433 5.652 -8.871 1.00 0.00 H new ATOM 0 HG21 ILE A 123 7.573 6.077 -9.872 1.00 0.00 H new ATOM 0 HG22 ILE A 123 8.335 5.101 -8.594 1.00 0.00 H new ATOM 0 HG23 ILE A 123 6.955 4.448 -9.508 1.00 0.00 H new ATOM 0 HD11 ILE A 123 3.601 7.967 -8.851 1.00 0.00 H new ATOM 0 HD12 ILE A 123 4.115 7.484 -7.218 1.00 0.00 H new ATOM 0 HD13 ILE A 123 5.156 8.539 -8.202 1.00 0.00 H new ATOM 1930 N SER A 124 7.622 3.141 -5.976 1.00 0.00 N ATOM 1931 CA SER A 124 8.754 2.547 -5.206 1.00 0.00 C ATOM 1932 C SER A 124 9.612 1.582 -6.086 1.00 0.00 C ATOM 1933 O SER A 124 9.076 0.789 -6.865 1.00 0.00 O ATOM 1934 CB SER A 124 8.157 1.808 -3.979 1.00 0.00 C ATOM 1935 OG SER A 124 7.463 2.698 -3.098 1.00 0.00 O ATOM 0 H SER A 124 7.015 2.443 -6.406 1.00 0.00 H new ATOM 0 HA SER A 124 9.429 3.338 -4.878 1.00 0.00 H new ATOM 0 HB2 SER A 124 7.473 1.032 -4.322 1.00 0.00 H new ATOM 0 HB3 SER A 124 8.957 1.309 -3.433 1.00 0.00 H new ATOM 0 HG SER A 124 6.545 2.381 -2.970 1.00 0.00 H new ATOM 1941 N LYS A 125 10.954 1.625 -5.973 1.00 0.00 N ATOM 1942 CA LYS A 125 11.860 0.766 -6.787 1.00 0.00 C ATOM 1943 C LYS A 125 12.372 -0.492 -6.015 1.00 0.00 C ATOM 1944 O LYS A 125 12.787 -0.397 -4.858 1.00 0.00 O ATOM 1945 CB LYS A 125 13.006 1.676 -7.297 1.00 0.00 C ATOM 1946 CG LYS A 125 13.983 0.949 -8.251 1.00 0.00 C ATOM 1947 CD LYS A 125 14.775 1.897 -9.173 1.00 0.00 C ATOM 1948 CE LYS A 125 15.335 1.212 -10.436 1.00 0.00 C ATOM 1949 NZ LYS A 125 16.397 0.217 -10.109 1.00 0.00 N ATOM 0 H LYS A 125 11.443 2.244 -5.327 1.00 0.00 H new ATOM 0 HA LYS A 125 11.315 0.341 -7.630 1.00 0.00 H new ATOM 0 HB2 LYS A 125 12.577 2.535 -7.813 1.00 0.00 H new ATOM 0 HB3 LYS A 125 13.562 2.062 -6.443 1.00 0.00 H new ATOM 0 HG2 LYS A 125 14.686 0.363 -7.659 1.00 0.00 H new ATOM 0 HG3 LYS A 125 13.420 0.246 -8.865 1.00 0.00 H new ATOM 0 HD2 LYS A 125 14.128 2.721 -9.474 1.00 0.00 H new ATOM 0 HD3 LYS A 125 15.601 2.331 -8.610 1.00 0.00 H new ATOM 0 HE2 LYS A 125 14.524 0.715 -10.968 1.00 0.00 H new ATOM 0 HE3 LYS A 125 15.741 1.968 -11.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 16.746 -0.220 -10.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 17.183 0.695 -9.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 16.004 -0.519 -9.488 1.00 0.00 H new ATOM 1963 N ARG A 126 12.419 -1.652 -6.699 1.00 0.00 N ATOM 1964 CA ARG A 126 12.862 -2.943 -6.111 1.00 0.00 C ATOM 1965 C ARG A 126 14.340 -2.975 -5.610 1.00 0.00 C ATOM 1966 O ARG A 126 15.283 -2.706 -6.362 1.00 0.00 O ATOM 1967 CB ARG A 126 12.624 -4.015 -7.202 1.00 0.00 C ATOM 1968 CG ARG A 126 12.584 -5.474 -6.698 1.00 0.00 C ATOM 1969 CD ARG A 126 12.398 -6.429 -7.886 1.00 0.00 C ATOM 1970 NE ARG A 126 12.001 -7.794 -7.463 1.00 0.00 N ATOM 1971 CZ ARG A 126 11.590 -8.747 -8.300 1.00 0.00 C ATOM 1972 NH1 ARG A 126 11.594 -8.637 -9.610 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 12.150 -1.726 -7.680 1.00 0.00 H new ATOM 0 HA ARG A 126 12.286 -3.124 -5.204 1.00 0.00 H new ATOM 0 HB2 ARG A 126 11.682 -3.796 -7.704 1.00 0.00 H new ATOM 0 HB3 ARG A 126 13.411 -3.928 -7.951 1.00 0.00 H new ATOM 0 HG2 ARG A 126 13.507 -5.711 -6.170 1.00 0.00 H new ATOM 0 HG3 ARG A 126 11.768 -5.601 -5.986 1.00 0.00 H new ATOM 0 HD2 ARG A 126 11.640 -6.025 -8.557 1.00 0.00 H new ATOM 0 HD3 ARG A 126 13.328 -6.484 -8.452 1.00 0.00 H new ATOM 0 HE ARG A 126 12.045 -8.018 -6.469 1.00 0.00 H new ATOM 0 HH11 ARG A 126 11.927 -7.779 -10.049 1.00 0.00 H new ATOM 0 HH12 ARG A 126 11.264 -9.410 -10.188 1.00 0.00 H new ATOM 0 HH21 ARG A 126 11.139 -9.968 -6.766 1.00 0.00 H new ATOM 0 HH22 ARG A 126 10.832 -10.609 -8.383 1.00 0.00 H new ATOM 1987 N ILE A 127 14.494 -3.300 -4.323 1.00 0.00 N ATOM 1988 CA ILE A 127 15.804 -3.410 -3.627 1.00 0.00 C ATOM 1989 C ILE A 127 15.820 -4.761 -2.818 1.00 0.00 C ATOM 1990 O ILE A 127 16.925 -5.160 -2.386 1.00 0.00 O ATOM 1991 CB ILE A 127 16.062 -2.051 -2.853 1.00 0.00 C ATOM 1992 CG1 ILE A 127 16.556 -0.931 -3.820 1.00 0.00 C ATOM 1993 CG2 ILE A 127 16.990 -2.169 -1.623 1.00 0.00 C ATOM 1994 CD1 ILE A 127 16.692 0.487 -3.241 1.00 0.00 C ATOM 1995 OXT ILE A 127 14.779 -5.445 -2.634 1.00 0.00 O ATOM 0 H ILE A 127 13.702 -3.501 -3.713 1.00 0.00 H new ATOM 0 HA ILE A 127 16.671 -3.500 -4.281 1.00 0.00 H new ATOM 0 HB ILE A 127 15.088 -1.773 -2.450 1.00 0.00 H new ATOM 0 HG12 ILE A 127 17.527 -1.229 -4.215 1.00 0.00 H new ATOM 0 HG13 ILE A 127 15.869 -0.887 -4.665 1.00 0.00 H new ATOM 0 HG21 ILE A 127 17.107 -1.189 -1.160 1.00 0.00 H new ATOM 0 HG22 ILE A 127 16.553 -2.861 -0.903 1.00 0.00 H new ATOM 0 HG23 ILE A 127 17.965 -2.540 -1.937 1.00 0.00 H new ATOM 0 HD11 ILE A 127 17.043 1.165 -4.019 1.00 0.00 H new ATOM 0 HD12 ILE A 127 15.722 0.825 -2.875 1.00 0.00 H new ATOM 0 HD13 ILE A 127 17.407 0.477 -2.418 1.00 0.00 H new TER 2007 ILE A 127 HETATM 2008 C1 OLA A 128 5.935 10.129 14.493 1.00 0.00 C HETATM 2009 O1 OLA A 128 5.813 11.116 15.252 1.00 0.00 O HETATM 2010 O2 OLA A 128 6.987 9.905 13.854 1.00 0.00 O HETATM 2011 C2 OLA A 128 4.710 9.264 14.229 1.00 0.00 C HETATM 2012 C3 OLA A 128 3.929 9.576 12.931 1.00 0.00 C HETATM 2013 C4 OLA A 128 4.563 9.013 11.646 1.00 0.00 C HETATM 2014 C5 OLA A 128 3.779 9.347 10.363 1.00 0.00 C HETATM 2015 C6 OLA A 128 2.448 8.583 10.222 1.00 0.00 C HETATM 2016 C7 OLA A 128 1.729 8.887 8.897 1.00 0.00 C HETATM 2017 C8 OLA A 128 0.382 8.147 8.802 1.00 0.00 C HETATM 2018 C9 OLA A 128 -0.352 8.489 7.523 1.00 0.00 C HETATM 2019 C10 OLA A 128 -0.366 7.789 6.382 1.00 0.00 C HETATM 2020 C11 OLA A 128 0.346 6.479 6.099 1.00 0.00 C HETATM 2021 C12 OLA A 128 -0.026 5.897 4.723 1.00 0.00 C HETATM 2022 C13 OLA A 128 0.635 4.543 4.406 1.00 0.00 C HETATM 2023 C14 OLA A 128 0.343 4.134 2.951 1.00 0.00 C HETATM 2024 C15 OLA A 128 0.942 2.777 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 1.197 0.551 1.00 0.00 C HETATM 2027 C18 OLA A 128 0.697 -0.119 0.955 1.00 0.00 C HETATM 0 H183 OLA A 128 0.663 -0.192 2.042 1.00 0.00 H new HETATM 0 H182 OLA A 128 -0.318 -0.143 0.558 1.00 0.00 H new HETATM 0 H181 OLA A 128 1.264 -0.958 0.553 1.00 0.00 H new HETATM 0 H172 OLA A 128 1.432 1.245 -0.536 1.00 0.00 H new HETATM 0 H171 OLA A 128 2.398 1.197 0.925 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 0.458 1.00 0.00 H new HETATM 0 H152 OLA A 128 2.019 2.788 2.718 1.00 0.00 H new HETATM 0 H151 OLA A 128 0.528 1.992 3.182 1.00 0.00 H new HETATM 0 H142 OLA A 128 -0.737 4.101 2.804 1.00 0.00 H new HETATM 0 H141 OLA A 128 0.732 4.903 2.284 1.00 0.00 H new HETATM 0 H132 OLA A 128 1.712 4.610 4.563 1.00 0.00 H new HETATM 0 H131 OLA A 128 0.261 3.779 5.088 1.00 0.00 H new HETATM 0 H122 OLA A 128 -1.109 5.780 4.672 1.00 0.00 H new HETATM 0 H121 OLA A 128 0.254 6.614 3.951 1.00 0.00 H new HETATM 0 H112 OLA A 128 1.424 6.636 6.145 1.00 0.00 H new HETATM 0 H111 OLA A 128 0.096 5.757 6.876 1.00 0.00 H new HETATM 0 HO2 OLA A 128 7.754 10.252 14.355 1.00 0.00 H new HETATM 0 H9 OLA A 128 -0.935 9.410 7.532 1.00 0.00 H new HETATM 0 H82 OLA A 128 0.553 7.071 8.848 1.00 0.00 H new HETATM 0 H81 OLA A 128 -0.239 8.408 9.659 1.00 0.00 H new HETATM 0 H72 OLA A 128 1.562 9.961 8.811 1.00 0.00 H new HETATM 0 H71 OLA A 128 2.365 8.595 8.061 1.00 0.00 H new HETATM 0 H62 OLA A 128 2.639 7.512 10.290 1.00 0.00 H new HETATM 0 H61 OLA A 128 1.794 8.843 11.054 1.00 0.00 H new HETATM 0 H52 OLA A 128 3.575 10.418 10.343 1.00 0.00 H new HETATM 0 H51 OLA A 128 4.406 9.126 9.499 1.00 0.00 H new HETATM 0 H42 OLA A 128 5.577 9.403 11.552 1.00 0.00 H new HETATM 0 H41 OLA A 128 4.645 7.930 11.738 1.00 0.00 H new HETATM 0 H32 OLA A 128 2.919 9.177 13.026 1.00 0.00 H new HETATM 0 H31 OLA A 128 3.836 10.657 12.830 1.00 0.00 H new HETATM 0 H22 OLA A 128 5.026 8.221 14.198 1.00 0.00 H new HETATM 0 H21 OLA A 128 4.028 9.366 15.073 1.00 0.00 H new HETATM 0 H10 OLA A 128 -0.954 8.207 5.565 1.00 0.00 H new HETATM 2061 C1 OLA A 129 4.741 1.233 -1.878 1.00 0.00 C HETATM 2062 O1 OLA A 129 4.840 1.488 -0.653 1.00 0.00 O HETATM 2063 O2 OLA A 129 5.232 1.998 -2.732 1.00 0.00 O HETATM 2064 C2 OLA A 129 4.497 -0.206 -2.316 1.00 0.00 C HETATM 2065 C3 OLA A 129 3.365 -0.944 -1.570 1.00 0.00 C HETATM 2066 C4 OLA A 129 3.337 -2.451 -1.877 1.00 0.00 C HETATM 2067 C5 OLA A 129 2.234 -3.240 -1.135 1.00 0.00 C HETATM 2068 C6 OLA A 129 0.823 -3.041 -1.717 1.00 0.00 C HETATM 2069 C7 OLA A 129 -0.287 -3.695 -0.876 1.00 0.00 C HETATM 2070 C8 OLA A 129 -1.667 -3.505 -1.535 1.00 0.00 C HETATM 2071 C9 OLA A 129 -2.805 -4.019 -0.679 1.00 0.00 C HETATM 2072 C10 OLA A 129 -3.430 -3.366 0.310 1.00 0.00 C HETATM 2073 C11 OLA A 129 -3.143 -1.977 0.850 1.00 0.00 C HETATM 2074 C12 OLA A 129 -2.487 -2.024 2.247 1.00 0.00 C HETATM 2075 C13 OLA A 129 -2.416 -0.643 2.925 1.00 0.00 C HETATM 2076 C14 OLA A 129 -1.924 -0.720 4.385 1.00 0.00 C HETATM 2077 C15 OLA A 129 -1.783 0.631 5.128 1.00 0.00 C HETATM 2078 C16 OLA A 129 -3.050 1.519 5.186 1.00 0.00 C HETATM 2079 C17 OLA A 129 -3.085 2.625 4.114 1.00 0.00 C HETATM 2080 C18 OLA A 129 -4.448 3.323 4.013 1.00 0.00 C HETATM 0 H183 OLA A 129 -5.214 2.591 3.756 1.00 0.00 H new HETATM 0 H182 OLA A 129 -4.693 3.784 4.970 1.00 0.00 H new HETATM 0 H181 OLA A 129 -4.407 4.091 3.241 1.00 0.00 H new HETATM 0 H172 OLA A 129 -2.320 3.367 4.341 1.00 0.00 H new HETATM 0 H171 OLA A 129 -2.832 2.192 3.146 1.00 0.00 H new HETATM 0 H162 OLA A 129 -3.931 0.887 5.071 1.00 0.00 H new HETATM 0 H161 OLA A 129 -3.115 1.980 6.172 1.00 0.00 H new HETATM 0 H152 OLA A 129 -1.461 0.427 6.149 1.00 0.00 H new HETATM 0 H151 OLA A 129 -0.987 1.202 4.651 1.00 0.00 H new HETATM 0 H142 OLA A 129 -2.614 -1.350 4.947 1.00 0.00 H new HETATM 0 H141 OLA A 129 -0.955 -1.220 4.395 1.00 0.00 H new HETATM 0 H132 OLA A 129 -1.748 0.003 2.355 1.00 0.00 H new HETATM 0 H131 OLA A 129 -3.403 -0.181 2.903 1.00 0.00 H new HETATM 0 H122 OLA A 129 -3.050 -2.707 2.884 1.00 0.00 H new HETATM 0 H121 OLA A 129 -1.480 -2.430 2.156 1.00 0.00 H new HETATM 0 H112 OLA A 129 -2.487 -1.448 0.159 1.00 0.00 H new HETATM 0 H111 OLA A 129 -4.072 -1.410 0.905 1.00 0.00 H new HETATM 0 HO2 OLA A 129 4.927 1.731 -3.624 1.00 0.00 H new HETATM 0 H9 OLA A 129 -3.154 -5.030 -0.890 1.00 0.00 H new HETATM 0 H82 OLA A 129 -1.823 -2.446 -1.740 1.00 0.00 H new HETATM 0 H81 OLA A 129 -1.680 -4.021 -2.495 1.00 0.00 H new HETATM 0 H72 OLA A 129 -0.080 -4.759 -0.759 1.00 0.00 H new HETATM 0 H71 OLA A 129 -0.295 -3.260 0.123 1.00 0.00 H new HETATM 0 H62 OLA A 129 0.621 -1.973 -1.802 1.00 0.00 H new HETATM 0 H61 OLA A 129 0.794 -3.453 -2.726 1.00 0.00 H new HETATM 0 H52 OLA A 129 2.480 -4.301 -1.162 1.00 0.00 H new HETATM 0 H51 OLA A 129 2.229 -2.940 -0.087 1.00 0.00 H new HETATM 0 H42 OLA A 129 3.203 -2.587 -2.950 1.00 0.00 H new HETATM 0 H41 OLA A 129 4.306 -2.879 -1.620 1.00 0.00 H new HETATM 0 H32 OLA A 129 3.487 -0.798 -0.497 1.00 0.00 H new HETATM 0 H31 OLA A 129 2.407 -0.503 -1.845 1.00 0.00 H new HETATM 0 H22 OLA A 129 4.269 -0.209 -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 -4.250 -3.901 0.788 1.00 0.00 H new