USER MOD reduce.3.24.130724 H: found=0, std=0, add=1017, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 1017 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 102 THR OG1 : rot -57:sc= 0.739 USER MOD Set 1.2: A 111 ASN : amide:sc= 0.658 K(o=1.4,f=-0.56) USER MOD Set 2.1: A 100 SER OG : rot 143:sc= 0.18 USER MOD Set 2.2: A 113 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 81 THR OG1 : rot -111:sc= 0.98 USER MOD Set 3.2: A 93 THR OG1 : rot -150:sc= 0.838 USER MOD Set 4.1: A 19 MET CE :methyl 170:sc= 0 (180deg=-0.163) USER MOD Set 4.2: A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 5.1: A 47 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Set 5.2: A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= 0.00946 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0.0274 X(o=0.027,f=0) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0.212 X(o=0.21,f=-0.22) USER MOD Single : A 14 ASN : amide:sc= -0.0798 X(o=-0.08,f=-0.092) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ -128:sc= 0 (180deg=-0.179) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= 0.417 X(o=0.42,f=0) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 ASN : amide:sc= -0.0417 X(o=-0.042,f=0) USER MOD Single : A 69 CYS SG : rot -36:sc= -1.84 USER MOD Single : A 73 THR OG1 : rot -75:sc= 1.22 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= -0.0219 K(o=-0.022,f=-0.54) USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.475) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 132:sc= 0.295 USER MOD Single : A 114 THR OG1 : rot 180:sc= -0.148 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 2 8.361 -12.598 -4.824 1.00 0.00 N ATOM 2 CA SER A 2 9.425 -12.262 -3.869 1.00 0.00 C ATOM 3 C SER A 2 9.317 -10.763 -3.501 1.00 0.00 C ATOM 4 O SER A 2 9.597 -9.891 -4.331 1.00 0.00 O ATOM 5 CB SER A 2 10.797 -12.640 -4.462 1.00 0.00 C ATOM 6 OG SER A 2 11.835 -12.424 -3.513 1.00 0.00 O ATOM 0 HA SER A 2 9.314 -12.834 -2.948 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.790 -13.686 -4.768 1.00 0.00 H new ATOM 0 HB3 SER A 2 10.987 -12.047 -5.357 1.00 0.00 H new ATOM 0 HG SER A 2 12.697 -12.672 -3.909 1.00 0.00 H new ATOM 12 N PHE A 3 8.888 -10.487 -2.256 1.00 0.00 N ATOM 13 CA PHE A 3 8.660 -9.105 -1.751 1.00 0.00 C ATOM 14 C PHE A 3 9.272 -9.038 -0.321 1.00 0.00 C ATOM 15 O PHE A 3 10.503 -9.017 -0.212 1.00 0.00 O ATOM 16 CB PHE A 3 7.163 -8.680 -1.903 1.00 0.00 C ATOM 17 CG PHE A 3 6.699 -8.307 -3.321 1.00 0.00 C ATOM 18 CD1 PHE A 3 6.295 -9.297 -4.224 1.00 0.00 C ATOM 19 CD2 PHE A 3 6.685 -6.967 -3.725 1.00 0.00 C ATOM 20 CE1 PHE A 3 5.912 -8.954 -5.515 1.00 0.00 C ATOM 21 CE2 PHE A 3 6.286 -6.628 -5.017 1.00 0.00 C ATOM 22 CZ PHE A 3 5.902 -7.621 -5.906 1.00 0.00 C ATOM 0 H PHE A 3 8.687 -11.210 -1.565 1.00 0.00 H new ATOM 0 HA PHE A 3 9.168 -8.347 -2.347 1.00 0.00 H new ATOM 0 HB2 PHE A 3 6.538 -9.497 -1.543 1.00 0.00 H new ATOM 0 HB3 PHE A 3 6.982 -7.827 -1.249 1.00 0.00 H new ATOM 0 HD1 PHE A 3 6.281 -10.332 -3.916 1.00 0.00 H new ATOM 0 HD2 PHE A 3 6.984 -6.193 -3.034 1.00 0.00 H new ATOM 0 HE1 PHE A 3 5.622 -9.724 -6.215 1.00 0.00 H new ATOM 0 HE2 PHE A 3 6.276 -5.593 -5.325 1.00 0.00 H new ATOM 0 HZ PHE A 3 5.594 -7.357 -6.907 1.00 0.00 H new ATOM 32 N SER A 4 8.453 -8.997 0.759 1.00 0.00 N ATOM 33 CA SER A 4 8.906 -8.932 2.179 1.00 0.00 C ATOM 34 C SER A 4 9.788 -7.689 2.504 1.00 0.00 C ATOM 35 O SER A 4 11.007 -7.725 2.304 1.00 0.00 O ATOM 36 CB SER A 4 9.536 -10.257 2.674 1.00 0.00 C ATOM 37 OG SER A 4 8.606 -11.328 2.596 1.00 0.00 O ATOM 0 H SER A 4 7.437 -9.008 0.670 1.00 0.00 H new ATOM 0 HA SER A 4 7.992 -8.793 2.757 1.00 0.00 H new ATOM 0 HB2 SER A 4 10.416 -10.491 2.074 1.00 0.00 H new ATOM 0 HB3 SER A 4 9.874 -10.140 3.704 1.00 0.00 H new ATOM 0 HG SER A 4 9.030 -12.153 2.913 1.00 0.00 H new ATOM 43 N GLY A 5 9.168 -6.600 2.987 1.00 0.00 N ATOM 44 CA GLY A 5 9.905 -5.350 3.276 1.00 0.00 C ATOM 45 C GLY A 5 9.003 -4.147 3.617 1.00 0.00 C ATOM 46 O GLY A 5 7.892 -3.997 3.100 1.00 0.00 O ATOM 0 H GLY A 5 8.168 -6.555 3.185 1.00 0.00 H new ATOM 0 HA2 GLY A 5 10.585 -5.527 4.109 1.00 0.00 H new ATOM 0 HA3 GLY A 5 10.519 -5.096 2.412 1.00 0.00 H new ATOM 50 N LYS A 6 9.556 -3.248 4.447 1.00 0.00 N ATOM 51 CA LYS A 6 8.952 -1.918 4.739 1.00 0.00 C ATOM 52 C LYS A 6 9.358 -0.913 3.627 1.00 0.00 C ATOM 53 O LYS A 6 10.541 -0.824 3.293 1.00 0.00 O ATOM 54 CB LYS A 6 9.441 -1.376 6.109 1.00 0.00 C ATOM 55 CG LYS A 6 9.053 -2.204 7.357 1.00 0.00 C ATOM 56 CD LYS A 6 9.356 -1.508 8.701 1.00 0.00 C ATOM 57 CE LYS A 6 10.857 -1.333 9.013 1.00 0.00 C ATOM 58 NZ LYS A 6 11.067 -0.689 10.322 1.00 0.00 N ATOM 0 H LYS A 6 10.434 -3.413 4.939 1.00 0.00 H new ATOM 0 HA LYS A 6 7.868 -2.032 4.772 1.00 0.00 H new ATOM 0 HB2 LYS A 6 10.528 -1.297 6.076 1.00 0.00 H new ATOM 0 HB3 LYS A 6 9.051 -0.366 6.235 1.00 0.00 H new ATOM 0 HG2 LYS A 6 7.988 -2.431 7.311 1.00 0.00 H new ATOM 0 HG3 LYS A 6 9.584 -3.156 7.326 1.00 0.00 H new ATOM 0 HD2 LYS A 6 8.882 -0.526 8.701 1.00 0.00 H new ATOM 0 HD3 LYS A 6 8.897 -2.084 9.504 1.00 0.00 H new ATOM 0 HE2 LYS A 6 11.347 -2.306 9.003 1.00 0.00 H new ATOM 0 HE3 LYS A 6 11.324 -0.733 8.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 12.087 -0.587 10.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 10.620 0.250 10.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 10.643 -1.275 11.069 1.00 0.00 H new ATOM 72 N TYR A 7 8.391 -0.172 3.056 1.00 0.00 N ATOM 73 CA TYR A 7 8.648 0.723 1.892 1.00 0.00 C ATOM 74 C TYR A 7 8.004 2.109 2.173 1.00 0.00 C ATOM 75 O TYR A 7 6.782 2.254 2.074 1.00 0.00 O ATOM 76 CB TYR A 7 8.103 0.110 0.569 1.00 0.00 C ATOM 77 CG TYR A 7 8.686 -1.244 0.114 1.00 0.00 C ATOM 78 CD1 TYR A 7 9.927 -1.316 -0.530 1.00 0.00 C ATOM 79 CD2 TYR A 7 7.944 -2.414 0.301 1.00 0.00 C ATOM 80 CE1 TYR A 7 10.418 -2.546 -0.970 1.00 0.00 C ATOM 81 CE2 TYR A 7 8.435 -3.639 -0.138 1.00 0.00 C ATOM 82 CZ TYR A 7 9.671 -3.704 -0.776 1.00 0.00 C ATOM 83 OH TYR A 7 10.136 -4.914 -1.223 1.00 0.00 O ATOM 0 H TYR A 7 7.422 -0.169 3.375 1.00 0.00 H new ATOM 0 HA TYR A 7 9.724 0.840 1.764 1.00 0.00 H new ATOM 0 HB2 TYR A 7 7.024 -0.007 0.673 1.00 0.00 H new ATOM 0 HB3 TYR A 7 8.270 0.833 -0.230 1.00 0.00 H new ATOM 0 HD1 TYR A 7 10.506 -0.418 -0.687 1.00 0.00 H new ATOM 0 HD2 TYR A 7 6.982 -2.366 0.790 1.00 0.00 H new ATOM 0 HE1 TYR A 7 11.378 -2.599 -1.461 1.00 0.00 H new ATOM 0 HE2 TYR A 7 7.858 -4.539 0.016 1.00 0.00 H new ATOM 0 HH TYR A 7 9.488 -5.615 -1.002 1.00 0.00 H new ATOM 93 N GLN A 8 8.822 3.131 2.501 1.00 0.00 N ATOM 94 CA GLN A 8 8.323 4.499 2.820 1.00 0.00 C ATOM 95 C GLN A 8 8.300 5.406 1.560 1.00 0.00 C ATOM 96 O GLN A 8 9.274 5.466 0.806 1.00 0.00 O ATOM 97 CB GLN A 8 9.164 5.097 3.976 1.00 0.00 C ATOM 98 CG GLN A 8 8.670 6.482 4.455 1.00 0.00 C ATOM 99 CD GLN A 8 9.136 6.882 5.858 1.00 0.00 C ATOM 100 OE1 GLN A 8 10.330 6.989 6.141 1.00 0.00 O ATOM 101 NE2 GLN A 8 8.196 7.129 6.755 1.00 0.00 N ATOM 0 H GLN A 8 9.837 3.041 2.554 1.00 0.00 H new ATOM 0 HA GLN A 8 7.288 4.436 3.155 1.00 0.00 H new ATOM 0 HB2 GLN A 8 9.150 4.405 4.818 1.00 0.00 H new ATOM 0 HB3 GLN A 8 10.201 5.184 3.651 1.00 0.00 H new ATOM 0 HG2 GLN A 8 9.009 7.238 3.746 1.00 0.00 H new ATOM 0 HG3 GLN A 8 7.580 6.490 4.434 1.00 0.00 H new ATOM 0 HE21 GLN A 8 7.212 7.035 6.502 1.00 0.00 H new ATOM 0 HE22 GLN A 8 8.455 7.414 7.700 1.00 0.00 H new ATOM 110 N LEU A 9 7.182 6.137 1.380 1.00 0.00 N ATOM 111 CA LEU A 9 6.898 6.904 0.138 1.00 0.00 C ATOM 112 C LEU A 9 7.769 8.180 0.015 1.00 0.00 C ATOM 113 O LEU A 9 7.624 9.120 0.799 1.00 0.00 O ATOM 114 CB LEU A 9 5.373 7.201 0.068 1.00 0.00 C ATOM 115 CG LEU A 9 4.834 7.952 -1.186 1.00 0.00 C ATOM 116 CD1 LEU A 9 5.209 7.294 -2.527 1.00 0.00 C ATOM 117 CD2 LEU A 9 3.303 8.099 -1.076 1.00 0.00 C ATOM 0 H LEU A 9 6.449 6.216 2.085 1.00 0.00 H new ATOM 0 HA LEU A 9 7.174 6.299 -0.725 1.00 0.00 H new ATOM 0 HB2 LEU A 9 4.843 6.251 0.142 1.00 0.00 H new ATOM 0 HB3 LEU A 9 5.105 7.785 0.948 1.00 0.00 H new ATOM 0 HG LEU A 9 5.318 8.929 -1.193 1.00 0.00 H new ATOM 0 HD11 LEU A 9 4.795 7.879 -3.348 1.00 0.00 H new ATOM 0 HD12 LEU A 9 6.294 7.253 -2.621 1.00 0.00 H new ATOM 0 HD13 LEU A 9 4.804 6.283 -2.562 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.924 8.624 -1.953 1.00 0.00 H new ATOM 0 HD22 LEU A 9 2.846 7.111 -1.019 1.00 0.00 H new ATOM 0 HD23 LEU A 9 3.055 8.666 -0.178 1.00 0.00 H new ATOM 129 N GLN A 10 8.652 8.190 -0.999 1.00 0.00 N ATOM 130 CA GLN A 10 9.567 9.331 -1.269 1.00 0.00 C ATOM 131 C GLN A 10 8.968 10.279 -2.348 1.00 0.00 C ATOM 132 O GLN A 10 8.725 11.450 -2.043 1.00 0.00 O ATOM 133 CB GLN A 10 11.007 8.859 -1.619 1.00 0.00 C ATOM 134 CG GLN A 10 11.671 7.900 -0.601 1.00 0.00 C ATOM 135 CD GLN A 10 13.197 7.806 -0.754 1.00 0.00 C ATOM 136 OE1 GLN A 10 13.721 7.511 -1.828 1.00 0.00 O ATOM 137 NE2 GLN A 10 13.944 8.035 0.315 1.00 0.00 N ATOM 0 H GLN A 10 8.757 7.416 -1.655 1.00 0.00 H new ATOM 0 HA GLN A 10 9.660 9.907 -0.349 1.00 0.00 H new ATOM 0 HB2 GLN A 10 10.980 8.365 -2.590 1.00 0.00 H new ATOM 0 HB3 GLN A 10 11.641 9.739 -1.726 1.00 0.00 H new ATOM 0 HG2 GLN A 10 11.435 8.235 0.409 1.00 0.00 H new ATOM 0 HG3 GLN A 10 11.240 6.905 -0.716 1.00 0.00 H new ATOM 0 HE21 GLN A 10 13.504 8.279 1.202 1.00 0.00 H new ATOM 0 HE22 GLN A 10 14.960 7.967 0.251 1.00 0.00 H new ATOM 146 N SER A 11 8.742 9.783 -3.586 1.00 0.00 N ATOM 147 CA SER A 11 8.220 10.595 -4.712 1.00 0.00 C ATOM 148 C SER A 11 6.848 10.021 -5.149 1.00 0.00 C ATOM 149 O SER A 11 6.763 8.909 -5.679 1.00 0.00 O ATOM 150 CB SER A 11 9.256 10.582 -5.859 1.00 0.00 C ATOM 151 OG SER A 11 8.834 11.409 -6.936 1.00 0.00 O ATOM 0 H SER A 11 8.916 8.809 -3.834 1.00 0.00 H new ATOM 0 HA SER A 11 8.066 11.633 -4.415 1.00 0.00 H new ATOM 0 HB2 SER A 11 10.220 10.928 -5.487 1.00 0.00 H new ATOM 0 HB3 SER A 11 9.398 9.561 -6.214 1.00 0.00 H new ATOM 0 HG SER A 11 9.506 11.386 -7.649 1.00 0.00 H new ATOM 157 N GLN A 12 5.788 10.820 -4.948 1.00 0.00 N ATOM 158 CA GLN A 12 4.451 10.570 -5.542 1.00 0.00 C ATOM 159 C GLN A 12 4.281 11.441 -6.818 1.00 0.00 C ATOM 160 O GLN A 12 4.641 12.622 -6.882 1.00 0.00 O ATOM 161 CB GLN A 12 3.270 10.790 -4.557 1.00 0.00 C ATOM 162 CG GLN A 12 3.272 12.069 -3.682 1.00 0.00 C ATOM 163 CD GLN A 12 3.724 11.813 -2.234 1.00 0.00 C ATOM 164 OE1 GLN A 12 4.911 11.850 -1.910 1.00 0.00 O ATOM 165 NE2 GLN A 12 2.785 11.514 -1.349 1.00 0.00 N ATOM 0 H GLN A 12 5.827 11.660 -4.370 1.00 0.00 H new ATOM 0 HA GLN A 12 4.413 9.512 -5.801 1.00 0.00 H new ATOM 0 HB2 GLN A 12 2.348 10.786 -5.138 1.00 0.00 H new ATOM 0 HB3 GLN A 12 3.230 9.930 -3.889 1.00 0.00 H new ATOM 0 HG2 GLN A 12 3.930 12.810 -4.135 1.00 0.00 H new ATOM 0 HG3 GLN A 12 2.269 12.496 -3.672 1.00 0.00 H new ATOM 0 HE21 GLN A 12 1.806 11.488 -1.634 1.00 0.00 H new ATOM 0 HE22 GLN A 12 3.041 11.310 -0.383 1.00 0.00 H new ATOM 174 N GLU A 13 3.689 10.790 -7.818 1.00 0.00 N ATOM 175 CA GLU A 13 3.392 11.369 -9.150 1.00 0.00 C ATOM 176 C GLU A 13 1.894 11.070 -9.402 1.00 0.00 C ATOM 177 O GLU A 13 1.516 9.904 -9.542 1.00 0.00 O ATOM 178 CB GLU A 13 4.371 10.726 -10.175 1.00 0.00 C ATOM 179 CG GLU A 13 4.243 11.159 -11.654 1.00 0.00 C ATOM 180 CD GLU A 13 3.154 10.424 -12.446 1.00 0.00 C ATOM 181 OE1 GLU A 13 3.313 9.213 -12.719 1.00 0.00 O ATOM 182 OE2 GLU A 13 2.136 11.054 -12.802 1.00 0.00 O ATOM 0 H GLU A 13 3.390 9.818 -7.733 1.00 0.00 H new ATOM 0 HA GLU A 13 3.541 12.446 -9.233 1.00 0.00 H new ATOM 0 HB2 GLU A 13 5.389 10.941 -9.849 1.00 0.00 H new ATOM 0 HB3 GLU A 13 4.243 9.644 -10.129 1.00 0.00 H new ATOM 0 HG2 GLU A 13 4.038 12.229 -11.689 1.00 0.00 H new ATOM 0 HG3 GLU A 13 5.201 11.002 -12.149 1.00 0.00 H new ATOM 189 N ASN A 14 1.056 12.124 -9.442 1.00 0.00 N ATOM 190 CA ASN A 14 -0.437 12.018 -9.530 1.00 0.00 C ATOM 191 C ASN A 14 -1.139 11.537 -8.212 1.00 0.00 C ATOM 192 O ASN A 14 -1.997 10.651 -8.240 1.00 0.00 O ATOM 193 CB ASN A 14 -0.941 11.292 -10.824 1.00 0.00 C ATOM 194 CG ASN A 14 -0.831 12.066 -12.154 1.00 0.00 C ATOM 195 OD1 ASN A 14 -0.143 13.080 -12.282 1.00 0.00 O ATOM 196 ND2 ASN A 14 -1.502 11.583 -13.188 1.00 0.00 N ATOM 0 H ASN A 14 1.387 13.088 -9.415 1.00 0.00 H new ATOM 0 HA ASN A 14 -0.772 13.050 -9.638 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -0.384 10.361 -10.928 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -1.987 11.023 -10.675 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -1.450 12.050 -14.093 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -2.071 10.743 -13.080 1.00 0.00 H new ATOM 203 N PHE A 15 -0.828 12.179 -7.065 1.00 0.00 N ATOM 204 CA PHE A 15 -1.506 11.917 -5.763 1.00 0.00 C ATOM 205 C PHE A 15 -2.919 12.565 -5.698 1.00 0.00 C ATOM 206 O PHE A 15 -3.913 11.840 -5.618 1.00 0.00 O ATOM 207 CB PHE A 15 -0.550 12.343 -4.612 1.00 0.00 C ATOM 208 CG PHE A 15 -0.949 11.881 -3.199 1.00 0.00 C ATOM 209 CD1 PHE A 15 -1.872 12.613 -2.442 1.00 0.00 C ATOM 210 CD2 PHE A 15 -0.368 10.735 -2.647 1.00 0.00 C ATOM 211 CE1 PHE A 15 -2.213 12.196 -1.159 1.00 0.00 C ATOM 212 CE2 PHE A 15 -0.705 10.324 -1.360 1.00 0.00 C ATOM 213 CZ PHE A 15 -1.626 11.056 -0.617 1.00 0.00 C ATOM 0 H PHE A 15 -0.102 12.893 -7.009 1.00 0.00 H new ATOM 0 HA PHE A 15 -1.704 10.851 -5.650 1.00 0.00 H new ATOM 0 HB2 PHE A 15 0.446 11.957 -4.831 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -0.477 13.431 -4.610 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -2.321 13.504 -2.855 1.00 0.00 H new ATOM 0 HD2 PHE A 15 0.347 10.165 -3.222 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -2.934 12.757 -0.583 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -0.252 9.438 -0.939 1.00 0.00 H new ATOM 0 HZ PHE A 15 -1.886 10.739 0.382 1.00 0.00 H new ATOM 223 N GLU A 16 -2.998 13.909 -5.747 1.00 0.00 N ATOM 224 CA GLU A 16 -4.283 14.660 -5.812 1.00 0.00 C ATOM 225 C GLU A 16 -5.168 14.451 -7.083 1.00 0.00 C ATOM 226 O GLU A 16 -6.392 14.542 -6.968 1.00 0.00 O ATOM 227 CB GLU A 16 -4.033 16.157 -5.465 1.00 0.00 C ATOM 228 CG GLU A 16 -2.990 16.967 -6.275 1.00 0.00 C ATOM 229 CD GLU A 16 -3.431 17.374 -7.683 1.00 0.00 C ATOM 230 OE1 GLU A 16 -4.325 18.242 -7.809 1.00 0.00 O ATOM 231 OE2 GLU A 16 -2.888 16.831 -8.671 1.00 0.00 O ATOM 0 H GLU A 16 -2.176 14.512 -5.743 1.00 0.00 H new ATOM 0 HA GLU A 16 -4.919 14.209 -5.050 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -4.988 16.676 -5.552 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.739 16.204 -4.416 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.739 17.868 -5.715 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.077 16.377 -6.354 1.00 0.00 H new ATOM 238 N ALA A 17 -4.582 14.128 -8.255 1.00 0.00 N ATOM 239 CA ALA A 17 -5.342 13.663 -9.449 1.00 0.00 C ATOM 240 C ALA A 17 -6.054 12.283 -9.288 1.00 0.00 C ATOM 241 O ALA A 17 -7.223 12.166 -9.664 1.00 0.00 O ATOM 242 CB ALA A 17 -4.393 13.669 -10.663 1.00 0.00 C ATOM 0 H ALA A 17 -3.575 14.180 -8.407 1.00 0.00 H new ATOM 0 HA ALA A 17 -6.166 14.362 -9.593 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -4.932 13.331 -11.548 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -4.021 14.680 -10.829 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -3.554 13.000 -10.472 1.00 0.00 H new ATOM 248 N PHE A 18 -5.377 11.266 -8.710 1.00 0.00 N ATOM 249 CA PHE A 18 -5.989 9.952 -8.366 1.00 0.00 C ATOM 250 C PHE A 18 -7.054 10.020 -7.232 1.00 0.00 C ATOM 251 O PHE A 18 -8.185 9.581 -7.450 1.00 0.00 O ATOM 252 CB PHE A 18 -4.835 8.955 -8.055 1.00 0.00 C ATOM 253 CG PHE A 18 -5.257 7.493 -7.824 1.00 0.00 C ATOM 254 CD1 PHE A 18 -5.364 6.603 -8.900 1.00 0.00 C ATOM 255 CD2 PHE A 18 -5.569 7.046 -6.534 1.00 0.00 C ATOM 256 CE1 PHE A 18 -5.792 5.297 -8.691 1.00 0.00 C ATOM 257 CE2 PHE A 18 -6.001 5.740 -6.329 1.00 0.00 C ATOM 258 CZ PHE A 18 -6.113 4.869 -7.407 1.00 0.00 C ATOM 0 H PHE A 18 -4.388 11.328 -8.466 1.00 0.00 H new ATOM 0 HA PHE A 18 -6.565 9.602 -9.223 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -4.124 8.982 -8.881 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -4.307 9.305 -7.168 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -5.113 6.933 -9.897 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -5.474 7.719 -5.694 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -5.875 4.615 -9.525 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -6.249 5.403 -5.333 1.00 0.00 H new ATOM 0 HZ PHE A 18 -6.451 3.856 -7.247 1.00 0.00 H new ATOM 268 N MET A 19 -6.679 10.527 -6.041 1.00 0.00 N ATOM 269 CA MET A 19 -7.565 10.585 -4.847 1.00 0.00 C ATOM 270 C MET A 19 -8.877 11.405 -5.047 1.00 0.00 C ATOM 271 O MET A 19 -9.947 10.893 -4.711 1.00 0.00 O ATOM 272 CB MET A 19 -6.739 11.040 -3.619 1.00 0.00 C ATOM 273 CG MET A 19 -5.750 9.990 -3.081 1.00 0.00 C ATOM 274 SD MET A 19 -5.136 10.517 -1.468 1.00 0.00 S ATOM 275 CE MET A 19 -4.378 8.988 -0.887 1.00 0.00 C ATOM 0 H MET A 19 -5.749 10.911 -5.873 1.00 0.00 H new ATOM 0 HA MET A 19 -7.937 9.576 -4.669 1.00 0.00 H new ATOM 0 HB2 MET A 19 -6.183 11.939 -3.886 1.00 0.00 H new ATOM 0 HB3 MET A 19 -7.426 11.315 -2.819 1.00 0.00 H new ATOM 0 HG2 MET A 19 -6.242 9.021 -2.996 1.00 0.00 H new ATOM 0 HG3 MET A 19 -4.920 9.867 -3.776 1.00 0.00 H new ATOM 0 HE1 MET A 19 -3.800 9.188 0.015 1.00 0.00 H new ATOM 0 HE2 MET A 19 -5.156 8.258 -0.664 1.00 0.00 H new ATOM 0 HE3 MET A 19 -3.719 8.592 -1.660 1.00 0.00 H new ATOM 285 N LYS A 20 -8.822 12.615 -5.645 1.00 0.00 N ATOM 286 CA LYS A 20 -10.030 13.363 -6.084 1.00 0.00 C ATOM 287 C LYS A 20 -10.900 12.653 -7.179 1.00 0.00 C ATOM 288 O LYS A 20 -12.129 12.713 -7.071 1.00 0.00 O ATOM 289 CB LYS A 20 -9.550 14.781 -6.494 1.00 0.00 C ATOM 290 CG LYS A 20 -10.674 15.815 -6.682 1.00 0.00 C ATOM 291 CD LYS A 20 -10.150 17.218 -7.059 1.00 0.00 C ATOM 292 CE LYS A 20 -11.246 18.277 -7.300 1.00 0.00 C ATOM 293 NZ LYS A 20 -11.944 18.693 -6.068 1.00 0.00 N ATOM 0 H LYS A 20 -7.947 13.102 -5.838 1.00 0.00 H new ATOM 0 HA LYS A 20 -10.735 13.415 -5.254 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -8.860 15.149 -5.734 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -8.988 14.704 -7.425 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -11.354 15.467 -7.460 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -11.253 15.885 -5.761 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -9.493 17.570 -6.264 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -9.543 17.133 -7.960 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -10.797 19.153 -7.767 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -11.976 17.879 -8.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -12.666 19.404 -6.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -12.401 17.867 -5.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -11.258 19.102 -5.401 1.00 0.00 H new ATOM 307 N ALA A 21 -10.304 11.972 -8.189 1.00 0.00 N ATOM 308 CA ALA A 21 -11.063 11.136 -9.164 1.00 0.00 C ATOM 309 C ALA A 21 -11.855 9.914 -8.595 1.00 0.00 C ATOM 310 O ALA A 21 -12.917 9.597 -9.139 1.00 0.00 O ATOM 311 CB ALA A 21 -10.098 10.671 -10.273 1.00 0.00 C ATOM 0 H ALA A 21 -9.297 11.983 -8.353 1.00 0.00 H new ATOM 0 HA ALA A 21 -11.850 11.791 -9.538 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -10.640 10.058 -10.993 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.679 11.541 -10.779 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.292 10.085 -9.832 1.00 0.00 H new ATOM 317 N ILE A 22 -11.365 9.247 -7.527 1.00 0.00 N ATOM 318 CA ILE A 22 -12.085 8.121 -6.856 1.00 0.00 C ATOM 319 C ILE A 22 -13.174 8.627 -5.850 1.00 0.00 C ATOM 320 O ILE A 22 -14.336 8.228 -5.981 1.00 0.00 O ATOM 321 CB ILE A 22 -11.115 7.022 -6.285 1.00 0.00 C ATOM 322 CG1 ILE A 22 -10.072 7.510 -5.238 1.00 0.00 C ATOM 323 CG2 ILE A 22 -10.397 6.269 -7.431 1.00 0.00 C ATOM 324 CD1 ILE A 22 -9.462 6.417 -4.349 1.00 0.00 C ATOM 0 H ILE A 22 -10.464 9.466 -7.101 1.00 0.00 H new ATOM 0 HA ILE A 22 -12.645 7.596 -7.630 1.00 0.00 H new ATOM 0 HB ILE A 22 -11.775 6.351 -5.735 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -9.264 8.017 -5.766 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -10.548 8.251 -4.596 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -9.732 5.515 -7.010 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -11.137 5.785 -8.068 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -9.815 6.976 -8.022 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -8.750 6.866 -3.657 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -10.253 5.923 -3.785 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -8.949 5.685 -4.973 1.00 0.00 H new ATOM 336 N GLY A 23 -12.819 9.500 -4.887 1.00 0.00 N ATOM 337 CA GLY A 23 -13.790 10.159 -3.982 1.00 0.00 C ATOM 338 C GLY A 23 -13.229 10.425 -2.570 1.00 0.00 C ATOM 339 O GLY A 23 -13.789 9.915 -1.595 1.00 0.00 O ATOM 0 H GLY A 23 -11.851 9.770 -4.712 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -14.104 11.105 -4.424 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -14.680 9.535 -3.900 1.00 0.00 H new ATOM 343 N LEU A 24 -12.157 11.234 -2.463 1.00 0.00 N ATOM 344 CA LEU A 24 -11.499 11.564 -1.170 1.00 0.00 C ATOM 345 C LEU A 24 -11.767 13.053 -0.759 1.00 0.00 C ATOM 346 O LEU A 24 -11.944 13.906 -1.639 1.00 0.00 O ATOM 347 CB LEU A 24 -9.966 11.291 -1.279 1.00 0.00 C ATOM 348 CG LEU A 24 -9.402 9.899 -0.872 1.00 0.00 C ATOM 349 CD1 LEU A 24 -9.040 9.797 0.617 1.00 0.00 C ATOM 350 CD2 LEU A 24 -10.270 8.702 -1.285 1.00 0.00 C ATOM 0 H LEU A 24 -11.718 11.681 -3.268 1.00 0.00 H new ATOM 0 HA LEU A 24 -11.923 10.929 -0.392 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -9.676 11.470 -2.314 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.458 12.039 -0.671 1.00 0.00 H new ATOM 0 HG LEU A 24 -8.483 9.835 -1.455 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -8.653 8.800 0.830 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -8.280 10.540 0.858 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -9.929 9.978 1.221 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -9.794 7.777 -0.958 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -11.253 8.788 -0.822 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -10.380 8.689 -2.369 1.00 0.00 H new ATOM 362 N PRO A 25 -11.749 13.421 0.557 1.00 0.00 N ATOM 363 CA PRO A 25 -11.857 14.833 1.008 1.00 0.00 C ATOM 364 C PRO A 25 -10.553 15.652 0.787 1.00 0.00 C ATOM 365 O PRO A 25 -9.449 15.104 0.806 1.00 0.00 O ATOM 366 CB PRO A 25 -12.168 14.661 2.508 1.00 0.00 C ATOM 367 CG PRO A 25 -11.525 13.340 2.927 1.00 0.00 C ATOM 368 CD PRO A 25 -11.502 12.476 1.665 1.00 0.00 C ATOM 0 HA PRO A 25 -12.605 15.398 0.451 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -11.764 15.492 3.087 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -13.244 14.643 2.683 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -10.518 13.499 3.312 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -12.097 12.860 3.721 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -10.543 11.971 1.548 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -12.267 11.701 1.702 1.00 0.00 H new ATOM 376 N GLU A 26 -10.694 16.984 0.671 1.00 0.00 N ATOM 377 CA GLU A 26 -9.529 17.923 0.688 1.00 0.00 C ATOM 378 C GLU A 26 -8.614 17.842 1.960 1.00 0.00 C ATOM 379 O GLU A 26 -7.397 17.989 1.826 1.00 0.00 O ATOM 380 CB GLU A 26 -10.041 19.365 0.420 1.00 0.00 C ATOM 381 CG GLU A 26 -8.943 20.383 0.031 1.00 0.00 C ATOM 382 CD GLU A 26 -9.495 21.791 -0.205 1.00 0.00 C ATOM 383 OE1 GLU A 26 -9.949 22.083 -1.334 1.00 0.00 O ATOM 384 OE2 GLU A 26 -9.478 22.612 0.738 1.00 0.00 O ATOM 0 H GLU A 26 -11.597 17.446 0.564 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.860 17.605 -0.111 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -10.783 19.329 -0.378 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -10.551 19.726 1.313 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -8.192 20.420 0.820 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -8.439 20.039 -0.872 1.00 0.00 H new ATOM 391 N GLU A 27 -9.176 17.572 3.160 1.00 0.00 N ATOM 392 CA GLU A 27 -8.394 17.304 4.397 1.00 0.00 C ATOM 393 C GLU A 27 -7.435 16.073 4.307 1.00 0.00 C ATOM 394 O GLU A 27 -6.244 16.256 4.562 1.00 0.00 O ATOM 395 CB GLU A 27 -9.387 17.227 5.591 1.00 0.00 C ATOM 396 CG GLU A 27 -8.724 17.237 6.986 1.00 0.00 C ATOM 397 CD GLU A 27 -9.739 17.185 8.130 1.00 0.00 C ATOM 398 OE1 GLU A 27 -10.185 16.074 8.492 1.00 0.00 O ATOM 399 OE2 GLU A 27 -10.093 18.254 8.675 1.00 0.00 O ATOM 0 H GLU A 27 -10.185 17.533 3.302 1.00 0.00 H new ATOM 0 HA GLU A 27 -7.701 18.131 4.549 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -10.077 18.068 5.526 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -9.981 16.319 5.493 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -8.049 16.385 7.068 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -8.116 18.136 7.087 1.00 0.00 H new ATOM 406 N LEU A 28 -7.911 14.859 3.942 1.00 0.00 N ATOM 407 CA LEU A 28 -7.022 13.662 3.794 1.00 0.00 C ATOM 408 C LEU A 28 -6.048 13.652 2.568 1.00 0.00 C ATOM 409 O LEU A 28 -4.995 13.013 2.655 1.00 0.00 O ATOM 410 CB LEU A 28 -7.840 12.339 3.825 1.00 0.00 C ATOM 411 CG LEU A 28 -8.650 12.009 5.115 1.00 0.00 C ATOM 412 CD1 LEU A 28 -9.497 10.737 4.905 1.00 0.00 C ATOM 413 CD2 LEU A 28 -7.765 11.847 6.369 1.00 0.00 C ATOM 0 H LEU A 28 -8.894 14.674 3.744 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.371 13.738 4.665 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.538 12.359 2.988 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.149 11.515 3.645 1.00 0.00 H new ATOM 0 HG LEU A 28 -9.299 12.866 5.296 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -10.057 10.519 5.814 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -10.191 10.894 4.080 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -8.842 9.898 4.672 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -8.393 11.618 7.230 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -7.056 11.035 6.211 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -7.221 12.773 6.552 1.00 0.00 H new ATOM 425 N ILE A 29 -6.363 14.352 1.459 1.00 0.00 N ATOM 426 CA ILE A 29 -5.430 14.555 0.310 1.00 0.00 C ATOM 427 C ILE A 29 -4.250 15.499 0.718 1.00 0.00 C ATOM 428 O ILE A 29 -3.090 15.116 0.559 1.00 0.00 O ATOM 429 CB ILE A 29 -6.191 15.045 -0.979 1.00 0.00 C ATOM 430 CG1 ILE A 29 -7.325 14.073 -1.424 1.00 0.00 C ATOM 431 CG2 ILE A 29 -5.225 15.271 -2.171 1.00 0.00 C ATOM 432 CD1 ILE A 29 -8.298 14.596 -2.494 1.00 0.00 C ATOM 0 H ILE A 29 -7.271 14.797 1.326 1.00 0.00 H new ATOM 0 HA ILE A 29 -4.992 13.592 0.048 1.00 0.00 H new ATOM 0 HB ILE A 29 -6.646 15.994 -0.695 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -6.863 13.160 -1.800 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -7.904 13.798 -0.542 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -5.791 15.608 -3.039 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -4.487 16.027 -1.903 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -4.717 14.337 -2.410 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -9.039 13.829 -2.718 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -8.801 15.489 -2.123 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -7.744 14.841 -3.400 1.00 0.00 H new ATOM 444 N GLN A 30 -4.552 16.712 1.218 1.00 0.00 N ATOM 445 CA GLN A 30 -3.523 17.704 1.634 1.00 0.00 C ATOM 446 C GLN A 30 -2.705 17.357 2.920 1.00 0.00 C ATOM 447 O GLN A 30 -1.567 17.822 3.035 1.00 0.00 O ATOM 448 CB GLN A 30 -4.170 19.115 1.751 1.00 0.00 C ATOM 449 CG GLN A 30 -4.820 19.713 0.475 1.00 0.00 C ATOM 450 CD GLN A 30 -3.865 19.918 -0.717 1.00 0.00 C ATOM 451 OE1 GLN A 30 -2.949 20.737 -0.671 1.00 0.00 O ATOM 452 NE2 GLN A 30 -4.059 19.184 -1.804 1.00 0.00 N ATOM 0 H GLN A 30 -5.510 17.038 1.348 1.00 0.00 H new ATOM 0 HA GLN A 30 -2.775 17.681 0.841 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -4.933 19.072 2.528 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -3.403 19.809 2.095 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -5.632 19.058 0.160 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -5.266 20.674 0.731 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -4.821 18.507 -1.833 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -3.446 19.296 -2.611 1.00 0.00 H new ATOM 461 N LYS A 31 -3.238 16.538 3.853 1.00 0.00 N ATOM 462 CA LYS A 31 -2.452 15.960 4.974 1.00 0.00 C ATOM 463 C LYS A 31 -1.545 14.787 4.492 1.00 0.00 C ATOM 464 O LYS A 31 -0.326 14.876 4.660 1.00 0.00 O ATOM 465 CB LYS A 31 -3.406 15.538 6.124 1.00 0.00 C ATOM 466 CG LYS A 31 -3.967 16.706 6.968 1.00 0.00 C ATOM 467 CD LYS A 31 -4.909 16.235 8.094 1.00 0.00 C ATOM 468 CE LYS A 31 -5.453 17.406 8.931 1.00 0.00 C ATOM 469 NZ LYS A 31 -6.371 16.938 9.985 1.00 0.00 N ATOM 0 H LYS A 31 -4.219 16.258 3.854 1.00 0.00 H new ATOM 0 HA LYS A 31 -1.777 16.723 5.362 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -4.242 14.983 5.698 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.874 14.854 6.785 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -3.138 17.263 7.404 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -4.505 17.394 6.315 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -5.743 15.684 7.660 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.375 15.543 8.746 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.622 17.947 9.385 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -5.973 18.109 8.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -6.719 17.753 10.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -7.176 16.444 9.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -5.867 16.287 10.620 1.00 0.00 H new ATOM 483 N GLY A 32 -2.116 13.724 3.884 1.00 0.00 N ATOM 484 CA GLY A 32 -1.336 12.563 3.387 1.00 0.00 C ATOM 485 C GLY A 32 -0.327 12.751 2.222 1.00 0.00 C ATOM 486 O GLY A 32 0.520 11.870 2.045 1.00 0.00 O ATOM 0 H GLY A 32 -3.120 13.644 3.724 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -0.782 12.157 4.234 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -2.050 11.800 3.078 1.00 0.00 H new ATOM 490 N LYS A 33 -0.380 13.860 1.450 1.00 0.00 N ATOM 491 CA LYS A 33 0.675 14.205 0.453 1.00 0.00 C ATOM 492 C LYS A 33 2.054 14.589 1.087 1.00 0.00 C ATOM 493 O LYS A 33 3.088 14.087 0.638 1.00 0.00 O ATOM 494 CB LYS A 33 0.135 15.227 -0.587 1.00 0.00 C ATOM 495 CG LYS A 33 -0.071 16.686 -0.123 1.00 0.00 C ATOM 496 CD LYS A 33 -0.777 17.596 -1.147 1.00 0.00 C ATOM 497 CE LYS A 33 0.001 17.911 -2.439 1.00 0.00 C ATOM 498 NZ LYS A 33 1.209 18.729 -2.217 1.00 0.00 N ATOM 0 H LYS A 33 -1.142 14.537 1.494 1.00 0.00 H new ATOM 0 HA LYS A 33 0.911 13.293 -0.096 1.00 0.00 H new ATOM 0 HB2 LYS A 33 0.822 15.238 -1.433 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -0.820 14.855 -0.957 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -0.652 16.681 0.799 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.901 17.117 0.116 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -1.722 17.129 -1.423 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -1.019 18.539 -0.656 1.00 0.00 H new ATOM 0 HE2 LYS A 33 0.289 16.975 -2.917 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -0.659 18.433 -3.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 1.683 18.903 -3.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 0.939 19.637 -1.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 1.858 18.224 -1.580 1.00 0.00 H new ATOM 512 N ASP A 34 2.056 15.427 2.147 1.00 0.00 N ATOM 513 CA ASP A 34 3.252 15.686 2.993 1.00 0.00 C ATOM 514 C ASP A 34 3.719 14.469 3.864 1.00 0.00 C ATOM 515 O ASP A 34 4.930 14.252 3.969 1.00 0.00 O ATOM 516 CB ASP A 34 2.957 16.949 3.849 1.00 0.00 C ATOM 517 CG ASP A 34 4.176 17.540 4.573 1.00 0.00 C ATOM 518 OD1 ASP A 34 5.006 18.206 3.917 1.00 0.00 O ATOM 519 OD2 ASP A 34 4.309 17.334 5.800 1.00 0.00 O ATOM 0 H ASP A 34 1.229 15.946 2.444 1.00 0.00 H new ATOM 0 HA ASP A 34 4.104 15.855 2.335 1.00 0.00 H new ATOM 0 HB2 ASP A 34 2.530 17.716 3.203 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.199 16.698 4.591 1.00 0.00 H new ATOM 524 N ILE A 35 2.793 13.695 4.479 1.00 0.00 N ATOM 525 CA ILE A 35 3.135 12.539 5.360 1.00 0.00 C ATOM 526 C ILE A 35 3.617 11.358 4.456 1.00 0.00 C ATOM 527 O ILE A 35 2.893 10.912 3.557 1.00 0.00 O ATOM 528 CB ILE A 35 1.932 12.113 6.284 1.00 0.00 C ATOM 529 CG1 ILE A 35 1.287 13.261 7.123 1.00 0.00 C ATOM 530 CG2 ILE A 35 2.334 10.964 7.252 1.00 0.00 C ATOM 531 CD1 ILE A 35 -0.165 12.988 7.560 1.00 0.00 C ATOM 0 H ILE A 35 1.789 13.849 4.382 1.00 0.00 H new ATOM 0 HA ILE A 35 3.935 12.833 6.040 1.00 0.00 H new ATOM 0 HB ILE A 35 1.176 11.782 5.572 1.00 0.00 H new ATOM 0 HG12 ILE A 35 1.895 13.432 8.011 1.00 0.00 H new ATOM 0 HG13 ILE A 35 1.311 14.180 6.538 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.480 10.696 7.874 1.00 0.00 H new ATOM 0 HG22 ILE A 35 2.649 10.095 6.674 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.156 11.294 7.887 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -0.536 13.835 8.137 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.790 12.848 6.678 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.197 12.088 8.174 1.00 0.00 H new ATOM 543 N LYS A 36 4.835 10.855 4.729 1.00 0.00 N ATOM 544 CA LYS A 36 5.445 9.742 3.955 1.00 0.00 C ATOM 545 C LYS A 36 4.930 8.386 4.519 1.00 0.00 C ATOM 546 O LYS A 36 5.293 7.983 5.630 1.00 0.00 O ATOM 547 CB LYS A 36 6.994 9.829 3.990 1.00 0.00 C ATOM 548 CG LYS A 36 7.603 11.095 3.343 1.00 0.00 C ATOM 549 CD LYS A 36 9.141 11.036 3.214 1.00 0.00 C ATOM 550 CE LYS A 36 9.786 12.297 2.605 1.00 0.00 C ATOM 551 NZ LYS A 36 9.491 12.477 1.169 1.00 0.00 N ATOM 0 H LYS A 36 5.426 11.201 5.485 1.00 0.00 H new ATOM 0 HA LYS A 36 5.148 9.819 2.909 1.00 0.00 H new ATOM 0 HB2 LYS A 36 7.320 9.780 5.029 1.00 0.00 H new ATOM 0 HB3 LYS A 36 7.402 8.952 3.486 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.167 11.234 2.354 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.328 11.966 3.938 1.00 0.00 H new ATOM 0 HD2 LYS A 36 9.569 10.867 4.202 1.00 0.00 H new ATOM 0 HD3 LYS A 36 9.408 10.176 2.600 1.00 0.00 H new ATOM 0 HE2 LYS A 36 9.438 13.173 3.152 1.00 0.00 H new ATOM 0 HE3 LYS A 36 10.866 12.245 2.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 10.380 12.616 0.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 9.005 11.632 0.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 8.880 13.309 1.042 1.00 0.00 H new ATOM 565 N GLY A 37 4.050 7.717 3.754 1.00 0.00 N ATOM 566 CA GLY A 37 3.328 6.516 4.230 1.00 0.00 C ATOM 567 C GLY A 37 4.088 5.198 3.988 1.00 0.00 C ATOM 568 O GLY A 37 4.507 4.914 2.862 1.00 0.00 O ATOM 0 H GLY A 37 3.818 7.987 2.798 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.131 6.621 5.297 1.00 0.00 H new ATOM 0 HA3 GLY A 37 2.360 6.464 3.731 1.00 0.00 H new ATOM 572 N VAL A 38 4.226 4.391 5.056 1.00 0.00 N ATOM 573 CA VAL A 38 4.979 3.106 5.007 1.00 0.00 C ATOM 574 C VAL A 38 3.990 1.982 4.577 1.00 0.00 C ATOM 575 O VAL A 38 3.063 1.635 5.314 1.00 0.00 O ATOM 576 CB VAL A 38 5.713 2.757 6.350 1.00 0.00 C ATOM 577 CG1 VAL A 38 6.658 1.538 6.200 1.00 0.00 C ATOM 578 CG2 VAL A 38 6.545 3.913 6.954 1.00 0.00 C ATOM 0 H VAL A 38 3.827 4.600 5.971 1.00 0.00 H new ATOM 0 HA VAL A 38 5.782 3.203 4.276 1.00 0.00 H new ATOM 0 HB VAL A 38 4.890 2.536 7.030 1.00 0.00 H new ATOM 0 HG11 VAL A 38 7.143 1.334 7.154 1.00 0.00 H new ATOM 0 HG12 VAL A 38 6.081 0.666 5.893 1.00 0.00 H new ATOM 0 HG13 VAL A 38 7.415 1.755 5.447 1.00 0.00 H new ATOM 0 HG21 VAL A 38 7.015 3.579 7.879 1.00 0.00 H new ATOM 0 HG22 VAL A 38 7.315 4.216 6.245 1.00 0.00 H new ATOM 0 HG23 VAL A 38 5.892 4.760 7.164 1.00 0.00 H new ATOM 588 N SER A 39 4.238 1.398 3.394 1.00 0.00 N ATOM 589 CA SER A 39 3.529 0.184 2.923 1.00 0.00 C ATOM 590 C SER A 39 4.414 -1.045 3.250 1.00 0.00 C ATOM 591 O SER A 39 5.444 -1.287 2.612 1.00 0.00 O ATOM 592 CB SER A 39 3.230 0.269 1.413 1.00 0.00 C ATOM 593 OG SER A 39 2.390 1.377 1.104 1.00 0.00 O ATOM 0 H SER A 39 4.933 1.748 2.734 1.00 0.00 H new ATOM 0 HA SER A 39 2.568 0.093 3.429 1.00 0.00 H new ATOM 0 HB2 SER A 39 4.166 0.357 0.861 1.00 0.00 H new ATOM 0 HB3 SER A 39 2.751 -0.653 1.084 1.00 0.00 H new ATOM 0 HG SER A 39 2.222 1.401 0.139 1.00 0.00 H new ATOM 599 N GLU A 40 3.993 -1.805 4.270 1.00 0.00 N ATOM 600 CA GLU A 40 4.698 -3.023 4.729 1.00 0.00 C ATOM 601 C GLU A 40 4.221 -4.265 3.938 1.00 0.00 C ATOM 602 O GLU A 40 3.066 -4.351 3.512 1.00 0.00 O ATOM 603 CB GLU A 40 4.427 -3.235 6.240 1.00 0.00 C ATOM 604 CG GLU A 40 5.077 -2.225 7.206 1.00 0.00 C ATOM 605 CD GLU A 40 4.092 -1.254 7.865 1.00 0.00 C ATOM 606 OE1 GLU A 40 3.435 -1.640 8.857 1.00 0.00 O ATOM 607 OE2 GLU A 40 3.962 -0.105 7.392 1.00 0.00 O ATOM 0 H GLU A 40 3.151 -1.597 4.806 1.00 0.00 H new ATOM 0 HA GLU A 40 5.767 -2.893 4.558 1.00 0.00 H new ATOM 0 HB2 GLU A 40 3.349 -3.213 6.399 1.00 0.00 H new ATOM 0 HB3 GLU A 40 4.769 -4.234 6.511 1.00 0.00 H new ATOM 0 HG2 GLU A 40 5.603 -2.775 7.986 1.00 0.00 H new ATOM 0 HG3 GLU A 40 5.825 -1.650 6.661 1.00 0.00 H new ATOM 614 N ILE A 41 5.133 -5.235 3.784 1.00 0.00 N ATOM 615 CA ILE A 41 4.807 -6.581 3.226 1.00 0.00 C ATOM 616 C ILE A 41 5.468 -7.626 4.181 1.00 0.00 C ATOM 617 O ILE A 41 6.639 -7.517 4.561 1.00 0.00 O ATOM 618 CB ILE A 41 5.189 -6.757 1.705 1.00 0.00 C ATOM 619 CG1 ILE A 41 4.447 -5.740 0.779 1.00 0.00 C ATOM 620 CG2 ILE A 41 4.908 -8.208 1.227 1.00 0.00 C ATOM 621 CD1 ILE A 41 4.853 -5.710 -0.704 1.00 0.00 C ATOM 0 H ILE A 41 6.115 -5.123 4.037 1.00 0.00 H new ATOM 0 HA ILE A 41 3.727 -6.729 3.200 1.00 0.00 H new ATOM 0 HB ILE A 41 6.257 -6.553 1.629 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.379 -5.952 0.832 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.594 -4.741 1.189 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.179 -8.304 0.176 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.498 -8.907 1.819 1.00 0.00 H new ATOM 0 HG23 ILE A 41 3.849 -8.433 1.350 1.00 0.00 H new ATOM 0 HD11 ILE A 41 4.260 -4.961 -1.228 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.910 -5.459 -0.787 1.00 0.00 H new ATOM 0 HD13 ILE A 41 4.677 -6.689 -1.149 1.00 0.00 H new ATOM 633 N VAL A 42 4.689 -8.670 4.516 1.00 0.00 N ATOM 634 CA VAL A 42 5.188 -9.878 5.226 1.00 0.00 C ATOM 635 C VAL A 42 4.604 -11.068 4.403 1.00 0.00 C ATOM 636 O VAL A 42 3.454 -11.474 4.605 1.00 0.00 O ATOM 637 CB VAL A 42 4.793 -9.916 6.746 1.00 0.00 C ATOM 638 CG1 VAL A 42 5.414 -11.134 7.468 1.00 0.00 C ATOM 639 CG2 VAL A 42 5.172 -8.645 7.545 1.00 0.00 C ATOM 0 H VAL A 42 3.692 -8.707 4.305 1.00 0.00 H new ATOM 0 HA VAL A 42 6.277 -9.907 5.268 1.00 0.00 H new ATOM 0 HB VAL A 42 3.705 -9.985 6.727 1.00 0.00 H new ATOM 0 HG11 VAL A 42 5.118 -11.125 8.517 1.00 0.00 H new ATOM 0 HG12 VAL A 42 5.062 -12.053 6.999 1.00 0.00 H new ATOM 0 HG13 VAL A 42 6.501 -11.084 7.397 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.861 -8.762 8.583 1.00 0.00 H new ATOM 0 HG22 VAL A 42 6.251 -8.498 7.504 1.00 0.00 H new ATOM 0 HG23 VAL A 42 4.671 -7.780 7.111 1.00 0.00 H new ATOM 649 N GLN A 43 5.408 -11.618 3.474 1.00 0.00 N ATOM 650 CA GLN A 43 4.969 -12.700 2.554 1.00 0.00 C ATOM 651 C GLN A 43 5.106 -14.088 3.246 1.00 0.00 C ATOM 652 O GLN A 43 6.205 -14.457 3.678 1.00 0.00 O ATOM 653 CB GLN A 43 5.835 -12.607 1.267 1.00 0.00 C ATOM 654 CG GLN A 43 5.362 -13.493 0.095 1.00 0.00 C ATOM 655 CD GLN A 43 6.319 -13.441 -1.106 1.00 0.00 C ATOM 656 OE1 GLN A 43 7.262 -14.226 -1.206 1.00 0.00 O ATOM 657 NE2 GLN A 43 6.110 -12.518 -2.029 1.00 0.00 N ATOM 0 H GLN A 43 6.377 -11.331 3.335 1.00 0.00 H new ATOM 0 HA GLN A 43 3.918 -12.584 2.291 1.00 0.00 H new ATOM 0 HB2 GLN A 43 5.853 -11.569 0.934 1.00 0.00 H new ATOM 0 HB3 GLN A 43 6.860 -12.879 1.517 1.00 0.00 H new ATOM 0 HG2 GLN A 43 5.270 -14.524 0.437 1.00 0.00 H new ATOM 0 HG3 GLN A 43 4.370 -13.172 -0.221 1.00 0.00 H new ATOM 0 HE21 GLN A 43 5.326 -11.873 -1.936 1.00 0.00 H new ATOM 0 HE22 GLN A 43 6.733 -12.451 -2.834 1.00 0.00 H new ATOM 666 N ASN A 44 4.001 -14.854 3.312 1.00 0.00 N ATOM 667 CA ASN A 44 4.033 -16.276 3.769 1.00 0.00 C ATOM 668 C ASN A 44 3.548 -17.165 2.586 1.00 0.00 C ATOM 669 O ASN A 44 2.409 -17.646 2.572 1.00 0.00 O ATOM 670 CB ASN A 44 3.198 -16.464 5.070 1.00 0.00 C ATOM 671 CG ASN A 44 3.727 -15.712 6.310 1.00 0.00 C ATOM 672 OD1 ASN A 44 4.759 -16.066 6.880 1.00 0.00 O ATOM 673 ND2 ASN A 44 3.046 -14.660 6.741 1.00 0.00 N ATOM 0 H ASN A 44 3.071 -14.522 3.057 1.00 0.00 H new ATOM 0 HA ASN A 44 5.045 -16.579 4.037 1.00 0.00 H new ATOM 0 HB2 ASN A 44 2.176 -16.137 4.876 1.00 0.00 H new ATOM 0 HB3 ASN A 44 3.154 -17.528 5.303 1.00 0.00 H new ATOM 0 HD21 ASN A 44 3.376 -14.136 7.552 1.00 0.00 H new ATOM 0 HD22 ASN A 44 2.192 -14.374 6.262 1.00 0.00 H new ATOM 680 N GLY A 45 4.422 -17.342 1.571 1.00 0.00 N ATOM 681 CA GLY A 45 4.074 -18.031 0.307 1.00 0.00 C ATOM 682 C GLY A 45 3.055 -17.254 -0.558 1.00 0.00 C ATOM 683 O GLY A 45 3.319 -16.127 -0.990 1.00 0.00 O ATOM 0 H GLY A 45 5.387 -17.012 1.604 1.00 0.00 H new ATOM 0 HA2 GLY A 45 4.983 -18.191 -0.273 1.00 0.00 H new ATOM 0 HA3 GLY A 45 3.666 -19.015 0.539 1.00 0.00 H new ATOM 687 N LYS A 46 1.880 -17.871 -0.756 1.00 0.00 N ATOM 688 CA LYS A 46 0.695 -17.206 -1.365 1.00 0.00 C ATOM 689 C LYS A 46 -0.161 -16.334 -0.389 1.00 0.00 C ATOM 690 O LYS A 46 -0.695 -15.316 -0.831 1.00 0.00 O ATOM 691 CB LYS A 46 -0.123 -18.224 -2.199 1.00 0.00 C ATOM 692 CG LYS A 46 -0.829 -19.328 -1.393 1.00 0.00 C ATOM 693 CD LYS A 46 -1.647 -20.330 -2.236 1.00 0.00 C ATOM 694 CE LYS A 46 -0.831 -21.320 -3.098 1.00 0.00 C ATOM 695 NZ LYS A 46 -0.035 -22.272 -2.298 1.00 0.00 N ATOM 0 H LYS A 46 1.714 -18.845 -0.502 1.00 0.00 H new ATOM 0 HA LYS A 46 1.082 -16.451 -2.049 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -0.875 -17.679 -2.770 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.545 -18.696 -2.920 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -0.079 -19.880 -0.827 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -1.494 -18.859 -0.668 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -2.283 -20.905 -1.563 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.307 -19.765 -2.894 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -1.512 -21.877 -3.742 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -0.163 -20.758 -3.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 0.488 -22.907 -2.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 0.637 -21.748 -1.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -0.669 -22.832 -1.693 1.00 0.00 H new ATOM 709 N HIS A 47 -0.280 -16.697 0.910 1.00 0.00 N ATOM 710 CA HIS A 47 -0.969 -15.869 1.939 1.00 0.00 C ATOM 711 C HIS A 47 -0.091 -14.645 2.305 1.00 0.00 C ATOM 712 O HIS A 47 1.044 -14.790 2.767 1.00 0.00 O ATOM 713 CB HIS A 47 -1.266 -16.718 3.204 1.00 0.00 C ATOM 714 CG HIS A 47 -2.464 -17.661 3.052 1.00 0.00 C ATOM 715 ND1 HIS A 47 -2.376 -18.994 2.691 1.00 0.00 N ATOM 716 CD2 HIS A 47 -3.815 -17.291 3.187 1.00 0.00 C ATOM 717 CE1 HIS A 47 -3.708 -19.310 2.636 1.00 0.00 C ATOM 718 NE2 HIS A 47 -4.658 -18.359 2.919 1.00 0.00 N ATOM 0 H HIS A 47 0.097 -17.570 1.278 1.00 0.00 H new ATOM 0 HA HIS A 47 -1.916 -15.515 1.532 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -0.382 -17.306 3.450 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -1.448 -16.048 4.045 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -4.152 -16.303 3.464 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -4.012 -20.311 2.369 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -5.676 -18.420 2.929 1.00 0.00 H new ATOM 726 N PHE A 48 -0.613 -13.447 2.014 1.00 0.00 N ATOM 727 CA PHE A 48 0.237 -12.269 1.707 1.00 0.00 C ATOM 728 C PHE A 48 -0.187 -11.106 2.637 1.00 0.00 C ATOM 729 O PHE A 48 -1.107 -10.346 2.322 1.00 0.00 O ATOM 730 CB PHE A 48 0.049 -11.965 0.190 1.00 0.00 C ATOM 731 CG PHE A 48 1.251 -11.337 -0.513 1.00 0.00 C ATOM 732 CD1 PHE A 48 1.582 -9.995 -0.294 1.00 0.00 C ATOM 733 CD2 PHE A 48 1.949 -12.072 -1.478 1.00 0.00 C ATOM 734 CE1 PHE A 48 2.600 -9.399 -1.033 1.00 0.00 C ATOM 735 CE2 PHE A 48 2.959 -11.469 -2.218 1.00 0.00 C ATOM 736 CZ PHE A 48 3.300 -10.142 -1.979 1.00 0.00 C ATOM 0 H PHE A 48 -1.615 -13.259 1.982 1.00 0.00 H new ATOM 0 HA PHE A 48 1.299 -12.437 1.889 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -0.202 -12.895 -0.320 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -0.805 -11.298 0.075 1.00 0.00 H new ATOM 0 HD1 PHE A 48 1.047 -9.421 0.449 1.00 0.00 H new ATOM 0 HD2 PHE A 48 1.702 -13.110 -1.648 1.00 0.00 H new ATOM 0 HE1 PHE A 48 2.847 -8.360 -0.872 1.00 0.00 H new ATOM 0 HE2 PHE A 48 3.479 -12.031 -2.979 1.00 0.00 H new ATOM 0 HZ PHE A 48 4.110 -9.687 -2.529 1.00 0.00 H new ATOM 746 N LYS A 49 0.476 -10.997 3.801 1.00 0.00 N ATOM 747 CA LYS A 49 0.012 -10.124 4.913 1.00 0.00 C ATOM 748 C LYS A 49 0.704 -8.743 4.832 1.00 0.00 C ATOM 749 O LYS A 49 1.831 -8.566 5.298 1.00 0.00 O ATOM 750 CB LYS A 49 0.266 -10.829 6.270 1.00 0.00 C ATOM 751 CG LYS A 49 -0.720 -11.983 6.563 1.00 0.00 C ATOM 752 CD LYS A 49 -0.400 -12.804 7.831 1.00 0.00 C ATOM 753 CE LYS A 49 -0.398 -12.041 9.173 1.00 0.00 C ATOM 754 NZ LYS A 49 -1.735 -11.553 9.563 1.00 0.00 N ATOM 0 H LYS A 49 1.339 -11.501 4.005 1.00 0.00 H new ATOM 0 HA LYS A 49 -1.061 -9.951 4.825 1.00 0.00 H new ATOM 0 HB2 LYS A 49 1.283 -11.220 6.282 1.00 0.00 H new ATOM 0 HB3 LYS A 49 0.198 -10.092 7.071 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -1.724 -11.569 6.660 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.734 -12.656 5.706 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -1.125 -13.615 7.902 1.00 0.00 H new ATOM 0 HD3 LYS A 49 0.580 -13.263 7.700 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -0.014 -12.695 9.956 1.00 0.00 H new ATOM 0 HE3 LYS A 49 0.285 -11.194 9.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -1.670 -11.050 10.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -2.095 -10.905 8.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -2.384 -12.360 9.660 1.00 0.00 H new ATOM 768 N PHE A 50 -0.005 -7.777 4.227 1.00 0.00 N ATOM 769 CA PHE A 50 0.520 -6.410 3.976 1.00 0.00 C ATOM 770 C PHE A 50 -0.209 -5.387 4.891 1.00 0.00 C ATOM 771 O PHE A 50 -1.441 -5.397 4.993 1.00 0.00 O ATOM 772 CB PHE A 50 0.472 -6.063 2.457 1.00 0.00 C ATOM 773 CG PHE A 50 -0.888 -5.717 1.819 1.00 0.00 C ATOM 774 CD1 PHE A 50 -1.799 -6.724 1.488 1.00 0.00 C ATOM 775 CD2 PHE A 50 -1.234 -4.378 1.598 1.00 0.00 C ATOM 776 CE1 PHE A 50 -3.047 -6.395 0.967 1.00 0.00 C ATOM 777 CE2 PHE A 50 -2.476 -4.054 1.056 1.00 0.00 C ATOM 778 CZ PHE A 50 -3.379 -5.064 0.735 1.00 0.00 C ATOM 0 H PHE A 50 -0.960 -7.914 3.895 1.00 0.00 H new ATOM 0 HA PHE A 50 1.575 -6.361 4.244 1.00 0.00 H new ATOM 0 HB2 PHE A 50 1.140 -5.218 2.290 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.887 -6.910 1.911 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -1.534 -7.760 1.637 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.535 -3.594 1.849 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -3.759 -7.175 0.742 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -2.738 -3.020 0.885 1.00 0.00 H new ATOM 0 HZ PHE A 50 -4.338 -4.814 0.306 1.00 0.00 H new ATOM 788 N THR A 51 0.567 -4.502 5.539 1.00 0.00 N ATOM 789 CA THR A 51 0.018 -3.493 6.487 1.00 0.00 C ATOM 790 C THR A 51 0.306 -2.093 5.882 1.00 0.00 C ATOM 791 O THR A 51 1.412 -1.558 5.996 1.00 0.00 O ATOM 792 CB THR A 51 0.572 -3.731 7.922 1.00 0.00 C ATOM 793 OG1 THR A 51 0.245 -5.047 8.357 1.00 0.00 O ATOM 794 CG2 THR A 51 0.007 -2.761 8.970 1.00 0.00 C ATOM 0 H THR A 51 1.580 -4.458 5.429 1.00 0.00 H new ATOM 0 HA THR A 51 -1.062 -3.578 6.611 1.00 0.00 H new ATOM 0 HB THR A 51 1.648 -3.573 7.848 1.00 0.00 H new ATOM 0 HG1 THR A 51 0.598 -5.190 9.260 1.00 0.00 H new ATOM 0 HG21 THR A 51 0.438 -2.987 9.945 1.00 0.00 H new ATOM 0 HG22 THR A 51 0.258 -1.738 8.691 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.077 -2.869 9.019 1.00 0.00 H new ATOM 802 N ILE A 52 -0.722 -1.517 5.231 1.00 0.00 N ATOM 803 CA ILE A 52 -0.624 -0.214 4.525 1.00 0.00 C ATOM 804 C ILE A 52 -0.962 0.937 5.514 1.00 0.00 C ATOM 805 O ILE A 52 -2.076 1.028 6.039 1.00 0.00 O ATOM 806 CB ILE A 52 -1.453 -0.224 3.193 1.00 0.00 C ATOM 807 CG1 ILE A 52 -1.189 1.047 2.332 1.00 0.00 C ATOM 808 CG2 ILE A 52 -2.976 -0.492 3.363 1.00 0.00 C ATOM 809 CD1 ILE A 52 -1.562 0.924 0.846 1.00 0.00 C ATOM 0 H ILE A 52 -1.649 -1.939 5.176 1.00 0.00 H new ATOM 0 HA ILE A 52 0.399 -0.033 4.194 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.078 -1.092 2.651 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -1.747 1.879 2.762 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -0.132 1.301 2.404 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.459 -0.479 2.386 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -3.124 -1.467 3.828 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -3.413 0.281 3.995 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.340 1.861 0.336 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.985 0.118 0.392 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.626 0.705 0.755 1.00 0.00 H new ATOM 821 N THR A 53 0.032 1.813 5.730 1.00 0.00 N ATOM 822 CA THR A 53 -0.117 3.023 6.580 1.00 0.00 C ATOM 823 C THR A 53 -0.300 4.224 5.610 1.00 0.00 C ATOM 824 O THR A 53 0.673 4.718 5.029 1.00 0.00 O ATOM 825 CB THR A 53 1.080 3.178 7.565 1.00 0.00 C ATOM 826 OG1 THR A 53 1.231 1.993 8.343 1.00 0.00 O ATOM 827 CG2 THR A 53 0.927 4.353 8.549 1.00 0.00 C ATOM 0 H THR A 53 0.963 1.710 5.325 1.00 0.00 H new ATOM 0 HA THR A 53 -0.987 2.956 7.233 1.00 0.00 H new ATOM 0 HB THR A 53 1.949 3.369 6.935 1.00 0.00 H new ATOM 0 HG1 THR A 53 1.987 2.099 8.958 1.00 0.00 H new ATOM 0 HG21 THR A 53 1.799 4.397 9.202 1.00 0.00 H new ATOM 0 HG22 THR A 53 0.844 5.286 7.992 1.00 0.00 H new ATOM 0 HG23 THR A 53 0.030 4.209 9.151 1.00 0.00 H new ATOM 835 N ALA A 54 -1.561 4.661 5.437 1.00 0.00 N ATOM 836 CA ALA A 54 -1.920 5.767 4.514 1.00 0.00 C ATOM 837 C ALA A 54 -2.140 7.066 5.330 1.00 0.00 C ATOM 838 O ALA A 54 -3.186 7.252 5.965 1.00 0.00 O ATOM 839 CB ALA A 54 -3.167 5.355 3.709 1.00 0.00 C ATOM 0 H ALA A 54 -2.361 4.263 5.929 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.116 5.964 3.805 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -3.442 6.159 3.027 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.949 4.453 3.138 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -3.994 5.161 4.393 1.00 0.00 H new ATOM 845 N GLY A 55 -1.113 7.938 5.342 1.00 0.00 N ATOM 846 CA GLY A 55 -1.103 9.156 6.183 1.00 0.00 C ATOM 847 C GLY A 55 -0.814 8.831 7.662 1.00 0.00 C ATOM 848 O GLY A 55 0.274 8.344 7.986 1.00 0.00 O ATOM 0 H GLY A 55 -0.273 7.822 4.775 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -0.349 9.849 5.810 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -2.066 9.660 6.104 1.00 0.00 H new ATOM 852 N SER A 56 -1.811 9.072 8.532 1.00 0.00 N ATOM 853 CA SER A 56 -1.776 8.603 9.947 1.00 0.00 C ATOM 854 C SER A 56 -2.991 7.668 10.226 1.00 0.00 C ATOM 855 O SER A 56 -3.910 8.011 10.978 1.00 0.00 O ATOM 856 CB SER A 56 -1.697 9.823 10.897 1.00 0.00 C ATOM 857 OG SER A 56 -0.487 10.549 10.711 1.00 0.00 O ATOM 0 H SER A 56 -2.656 9.589 8.289 1.00 0.00 H new ATOM 0 HA SER A 56 -0.883 8.006 10.133 1.00 0.00 H new ATOM 0 HB2 SER A 56 -2.548 10.480 10.719 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.765 9.486 11.931 1.00 0.00 H new ATOM 0 HG SER A 56 -0.467 11.314 11.323 1.00 0.00 H new ATOM 863 N LYS A 57 -2.975 6.465 9.612 1.00 0.00 N ATOM 864 CA LYS A 57 -4.020 5.425 9.797 1.00 0.00 C ATOM 865 C LYS A 57 -3.407 4.076 9.331 1.00 0.00 C ATOM 866 O LYS A 57 -2.995 3.946 8.174 1.00 0.00 O ATOM 867 CB LYS A 57 -5.322 5.757 9.015 1.00 0.00 C ATOM 868 CG LYS A 57 -6.519 4.845 9.368 1.00 0.00 C ATOM 869 CD LYS A 57 -7.799 5.184 8.578 1.00 0.00 C ATOM 870 CE LYS A 57 -8.987 4.236 8.838 1.00 0.00 C ATOM 871 NZ LYS A 57 -9.578 4.389 10.183 1.00 0.00 N ATOM 0 H LYS A 57 -2.234 6.183 8.970 1.00 0.00 H new ATOM 0 HA LYS A 57 -4.314 5.374 10.845 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -5.598 6.793 9.212 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -5.122 5.678 7.946 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -6.246 3.808 9.175 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -6.727 4.927 10.435 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -8.103 6.201 8.824 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -7.567 5.170 7.513 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -9.757 4.417 8.088 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -8.654 3.206 8.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -10.370 3.724 10.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -8.856 4.189 10.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -9.925 5.362 10.301 1.00 0.00 H new ATOM 885 N VAL A 58 -3.384 3.078 10.230 1.00 0.00 N ATOM 886 CA VAL A 58 -2.780 1.738 9.962 1.00 0.00 C ATOM 887 C VAL A 58 -3.945 0.756 9.611 1.00 0.00 C ATOM 888 O VAL A 58 -4.888 0.599 10.396 1.00 0.00 O ATOM 889 CB VAL A 58 -1.920 1.275 11.192 1.00 0.00 C ATOM 890 CG1 VAL A 58 -1.303 -0.130 11.011 1.00 0.00 C ATOM 891 CG2 VAL A 58 -0.756 2.242 11.531 1.00 0.00 C ATOM 0 H VAL A 58 -3.780 3.165 11.166 1.00 0.00 H new ATOM 0 HA VAL A 58 -2.091 1.768 9.118 1.00 0.00 H new ATOM 0 HB VAL A 58 -2.642 1.264 12.009 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -0.722 -0.389 11.896 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.099 -0.862 10.873 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -0.653 -0.132 10.136 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -0.204 1.860 12.390 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -0.086 2.319 10.675 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -1.158 3.227 11.767 1.00 0.00 H new ATOM 901 N ILE A 59 -3.859 0.098 8.436 1.00 0.00 N ATOM 902 CA ILE A 59 -4.913 -0.833 7.938 1.00 0.00 C ATOM 903 C ILE A 59 -4.171 -2.134 7.509 1.00 0.00 C ATOM 904 O ILE A 59 -3.426 -2.122 6.522 1.00 0.00 O ATOM 905 CB ILE A 59 -5.788 -0.248 6.761 1.00 0.00 C ATOM 906 CG1 ILE A 59 -6.370 1.186 6.984 1.00 0.00 C ATOM 907 CG2 ILE A 59 -6.958 -1.204 6.414 1.00 0.00 C ATOM 908 CD1 ILE A 59 -5.471 2.319 6.461 1.00 0.00 C ATOM 0 H ILE A 59 -3.065 0.191 7.803 1.00 0.00 H new ATOM 0 HA ILE A 59 -5.638 -1.017 8.731 1.00 0.00 H new ATOM 0 HB ILE A 59 -5.078 -0.161 5.938 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -7.341 1.252 6.494 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -6.540 1.335 8.050 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -7.546 -0.779 5.601 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -6.559 -2.171 6.107 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -7.593 -1.335 7.290 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -5.947 3.280 6.655 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -4.507 2.283 6.969 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -5.321 2.198 5.388 1.00 0.00 H new ATOM 920 N GLN A 60 -4.424 -3.260 8.208 1.00 0.00 N ATOM 921 CA GLN A 60 -3.935 -4.597 7.776 1.00 0.00 C ATOM 922 C GLN A 60 -5.003 -5.286 6.876 1.00 0.00 C ATOM 923 O GLN A 60 -6.160 -5.473 7.269 1.00 0.00 O ATOM 924 CB GLN A 60 -3.528 -5.464 8.997 1.00 0.00 C ATOM 925 CG GLN A 60 -2.810 -6.785 8.620 1.00 0.00 C ATOM 926 CD GLN A 60 -2.305 -7.585 9.830 1.00 0.00 C ATOM 927 OE1 GLN A 60 -3.085 -8.190 10.567 1.00 0.00 O ATOM 928 NE2 GLN A 60 -1.000 -7.625 10.055 1.00 0.00 N ATOM 0 H GLN A 60 -4.963 -3.276 9.074 1.00 0.00 H new ATOM 0 HA GLN A 60 -3.033 -4.474 7.177 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -2.874 -4.879 9.644 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -4.421 -5.700 9.576 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -3.495 -7.408 8.045 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -1.966 -6.556 7.970 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -0.361 -7.121 9.440 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -0.635 -8.160 10.843 1.00 0.00 H new ATOM 937 N ASN A 61 -4.559 -5.675 5.672 1.00 0.00 N ATOM 938 CA ASN A 61 -5.349 -6.493 4.711 1.00 0.00 C ATOM 939 C ASN A 61 -4.448 -7.662 4.206 1.00 0.00 C ATOM 940 O ASN A 61 -3.214 -7.562 4.193 1.00 0.00 O ATOM 941 CB ASN A 61 -5.826 -5.627 3.510 1.00 0.00 C ATOM 942 CG ASN A 61 -6.856 -4.519 3.812 1.00 0.00 C ATOM 943 OD1 ASN A 61 -7.860 -4.731 4.493 1.00 0.00 O ATOM 944 ND2 ASN A 61 -6.636 -3.320 3.295 1.00 0.00 N ATOM 0 H ASN A 61 -3.631 -5.433 5.324 1.00 0.00 H new ATOM 0 HA ASN A 61 -6.235 -6.887 5.209 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -4.950 -5.161 3.059 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -6.254 -6.293 2.761 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -7.300 -2.564 3.460 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -5.802 -3.153 2.732 1.00 0.00 H new ATOM 951 N GLU A 62 -5.067 -8.775 3.759 1.00 0.00 N ATOM 952 CA GLU A 62 -4.317 -9.922 3.172 1.00 0.00 C ATOM 953 C GLU A 62 -5.043 -10.534 1.944 1.00 0.00 C ATOM 954 O GLU A 62 -6.267 -10.718 1.948 1.00 0.00 O ATOM 955 CB GLU A 62 -3.915 -10.979 4.239 1.00 0.00 C ATOM 956 CG GLU A 62 -5.044 -11.786 4.919 1.00 0.00 C ATOM 957 CD GLU A 62 -4.495 -12.809 5.917 1.00 0.00 C ATOM 958 OE1 GLU A 62 -4.160 -13.940 5.501 1.00 0.00 O ATOM 959 OE2 GLU A 62 -4.385 -12.482 7.120 1.00 0.00 O ATOM 0 H GLU A 62 -6.078 -8.910 3.790 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.378 -9.520 2.791 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.235 -11.688 3.767 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.352 -10.468 5.020 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.719 -11.102 5.434 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.631 -12.300 4.158 1.00 0.00 H new ATOM 966 N PHE A 63 -4.248 -10.877 0.913 1.00 0.00 N ATOM 967 CA PHE A 63 -4.722 -11.603 -0.298 1.00 0.00 C ATOM 968 C PHE A 63 -4.023 -12.978 -0.437 1.00 0.00 C ATOM 969 O PHE A 63 -2.856 -13.152 -0.074 1.00 0.00 O ATOM 970 CB PHE A 63 -4.563 -10.766 -1.603 1.00 0.00 C ATOM 971 CG PHE A 63 -3.192 -10.164 -1.957 1.00 0.00 C ATOM 972 CD1 PHE A 63 -2.211 -10.930 -2.597 1.00 0.00 C ATOM 973 CD2 PHE A 63 -2.935 -8.820 -1.674 1.00 0.00 C ATOM 974 CE1 PHE A 63 -0.983 -10.360 -2.919 1.00 0.00 C ATOM 975 CE2 PHE A 63 -1.703 -8.255 -1.990 1.00 0.00 C ATOM 976 CZ PHE A 63 -0.728 -9.028 -2.608 1.00 0.00 C ATOM 0 H PHE A 63 -3.252 -10.660 0.889 1.00 0.00 H new ATOM 0 HA PHE A 63 -5.790 -11.770 -0.158 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -4.866 -11.400 -2.436 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -5.277 -9.944 -1.552 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -2.407 -11.964 -2.841 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -3.698 -8.215 -1.207 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -0.226 -10.953 -3.411 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -1.506 -7.219 -1.756 1.00 0.00 H new ATOM 0 HZ PHE A 63 0.231 -8.594 -2.848 1.00 0.00 H new ATOM 986 N THR A 64 -4.739 -13.931 -1.055 1.00 0.00 N ATOM 987 CA THR A 64 -4.140 -15.202 -1.537 1.00 0.00 C ATOM 988 C THR A 64 -3.862 -15.040 -3.061 1.00 0.00 C ATOM 989 O THR A 64 -4.746 -14.659 -3.840 1.00 0.00 O ATOM 990 CB THR A 64 -5.075 -16.396 -1.189 1.00 0.00 C ATOM 991 OG1 THR A 64 -5.321 -16.431 0.214 1.00 0.00 O ATOM 992 CG2 THR A 64 -4.491 -17.766 -1.569 1.00 0.00 C ATOM 0 H THR A 64 -5.739 -13.851 -1.237 1.00 0.00 H new ATOM 0 HA THR A 64 -3.193 -15.422 -1.044 1.00 0.00 H new ATOM 0 HB THR A 64 -5.984 -16.229 -1.767 1.00 0.00 H new ATOM 0 HG1 THR A 64 -5.911 -17.185 0.424 1.00 0.00 H new ATOM 0 HG21 THR A 64 -5.197 -18.551 -1.297 1.00 0.00 H new ATOM 0 HG22 THR A 64 -4.308 -17.798 -2.643 1.00 0.00 H new ATOM 0 HG23 THR A 64 -3.553 -17.922 -1.037 1.00 0.00 H new ATOM 1000 N VAL A 65 -2.614 -15.344 -3.467 1.00 0.00 N ATOM 1001 CA VAL A 65 -2.120 -15.114 -4.856 1.00 0.00 C ATOM 1002 C VAL A 65 -2.728 -16.187 -5.818 1.00 0.00 C ATOM 1003 O VAL A 65 -2.680 -17.393 -5.547 1.00 0.00 O ATOM 1004 CB VAL A 65 -0.552 -15.057 -4.892 1.00 0.00 C ATOM 1005 CG1 VAL A 65 0.041 -14.886 -6.311 1.00 0.00 C ATOM 1006 CG2 VAL A 65 0.039 -13.910 -4.037 1.00 0.00 C ATOM 0 H VAL A 65 -1.914 -15.756 -2.849 1.00 0.00 H new ATOM 0 HA VAL A 65 -2.458 -14.140 -5.211 1.00 0.00 H new ATOM 0 HB VAL A 65 -0.273 -16.029 -4.485 1.00 0.00 H new ATOM 0 HG11 VAL A 65 1.129 -14.856 -6.249 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -0.264 -15.725 -6.936 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -0.324 -13.957 -6.748 1.00 0.00 H new ATOM 0 HG21 VAL A 65 1.127 -13.928 -4.106 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -0.332 -12.953 -4.405 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -0.261 -14.040 -2.997 1.00 0.00 H new ATOM 1016 N GLY A 66 -3.313 -15.705 -6.927 1.00 0.00 N ATOM 1017 CA GLY A 66 -4.114 -16.547 -7.850 1.00 0.00 C ATOM 1018 C GLY A 66 -5.595 -16.850 -7.489 1.00 0.00 C ATOM 1019 O GLY A 66 -6.198 -17.698 -8.151 1.00 0.00 O ATOM 0 H GLY A 66 -3.249 -14.728 -7.213 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -4.104 -16.066 -8.828 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -3.598 -17.501 -7.958 1.00 0.00 H new ATOM 1023 N GLU A 67 -6.172 -16.179 -6.473 1.00 0.00 N ATOM 1024 CA GLU A 67 -7.558 -16.422 -5.988 1.00 0.00 C ATOM 1025 C GLU A 67 -8.253 -15.055 -5.709 1.00 0.00 C ATOM 1026 O GLU A 67 -7.606 -14.055 -5.372 1.00 0.00 O ATOM 1027 CB GLU A 67 -7.534 -17.302 -4.704 1.00 0.00 C ATOM 1028 CG GLU A 67 -7.142 -18.781 -4.934 1.00 0.00 C ATOM 1029 CD GLU A 67 -7.138 -19.628 -3.658 1.00 0.00 C ATOM 1030 OE1 GLU A 67 -8.213 -19.812 -3.045 1.00 0.00 O ATOM 1031 OE2 GLU A 67 -6.059 -20.127 -3.269 1.00 0.00 O ATOM 0 H GLU A 67 -5.689 -15.444 -5.956 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.122 -16.957 -6.752 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.834 -16.862 -3.993 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.520 -17.271 -4.241 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -7.835 -19.223 -5.650 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.151 -18.818 -5.386 1.00 0.00 H new ATOM 1038 N GLU A 68 -9.600 -15.038 -5.808 1.00 0.00 N ATOM 1039 CA GLU A 68 -10.421 -13.830 -5.515 1.00 0.00 C ATOM 1040 C GLU A 68 -10.411 -13.500 -3.995 1.00 0.00 C ATOM 1041 O GLU A 68 -10.894 -14.278 -3.166 1.00 0.00 O ATOM 1042 CB GLU A 68 -11.884 -14.000 -6.004 1.00 0.00 C ATOM 1043 CG GLU A 68 -12.079 -13.809 -7.520 1.00 0.00 C ATOM 1044 CD GLU A 68 -13.548 -13.887 -7.941 1.00 0.00 C ATOM 1045 OE1 GLU A 68 -14.230 -12.838 -7.950 1.00 0.00 O ATOM 1046 OE2 GLU A 68 -14.028 -14.996 -8.261 1.00 0.00 O ATOM 0 H GLU A 68 -10.150 -15.850 -6.090 1.00 0.00 H new ATOM 0 HA GLU A 68 -9.970 -13.001 -6.060 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -12.232 -14.996 -5.729 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -12.515 -13.285 -5.477 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -11.671 -12.842 -7.816 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -11.511 -14.571 -8.054 1.00 0.00 H new ATOM 1053 N CYS A 69 -9.830 -12.334 -3.678 1.00 0.00 N ATOM 1054 CA CYS A 69 -9.624 -11.868 -2.287 1.00 0.00 C ATOM 1055 C CYS A 69 -10.313 -10.506 -2.062 1.00 0.00 C ATOM 1056 O CYS A 69 -10.206 -9.572 -2.865 1.00 0.00 O ATOM 1057 CB CYS A 69 -8.124 -11.745 -1.986 1.00 0.00 C ATOM 1058 SG CYS A 69 -7.279 -10.741 -3.255 1.00 0.00 S ATOM 0 H CYS A 69 -9.485 -11.679 -4.380 1.00 0.00 H new ATOM 0 HA CYS A 69 -10.067 -12.601 -1.612 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -7.983 -11.291 -1.005 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -7.676 -12.738 -1.945 1.00 0.00 H new ATOM 0 HG CYS A 69 -7.818 -10.966 -4.416 1.00 0.00 H new ATOM 1064 N GLU A 70 -10.991 -10.424 -0.911 1.00 0.00 N ATOM 1065 CA GLU A 70 -11.807 -9.247 -0.518 1.00 0.00 C ATOM 1066 C GLU A 70 -10.917 -8.192 0.205 1.00 0.00 C ATOM 1067 O GLU A 70 -10.457 -8.415 1.329 1.00 0.00 O ATOM 1068 CB GLU A 70 -13.095 -9.722 0.213 1.00 0.00 C ATOM 1069 CG GLU A 70 -12.950 -10.433 1.573 1.00 0.00 C ATOM 1070 CD GLU A 70 -13.148 -9.552 2.811 1.00 0.00 C ATOM 1071 OE1 GLU A 70 -14.301 -9.150 3.087 1.00 0.00 O ATOM 1072 OE2 GLU A 70 -12.159 -9.262 3.519 1.00 0.00 O ATOM 0 H GLU A 70 -10.995 -11.171 -0.216 1.00 0.00 H new ATOM 0 HA GLU A 70 -12.185 -8.703 -1.383 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -13.732 -8.850 0.361 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -13.627 -10.396 -0.458 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -13.670 -11.250 1.613 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -11.957 -10.880 1.624 1.00 0.00 H new ATOM 1079 N LEU A 71 -10.624 -7.079 -0.495 1.00 0.00 N ATOM 1080 CA LEU A 71 -9.569 -6.108 -0.089 1.00 0.00 C ATOM 1081 C LEU A 71 -10.174 -4.683 0.035 1.00 0.00 C ATOM 1082 O LEU A 71 -10.777 -4.164 -0.911 1.00 0.00 O ATOM 1083 CB LEU A 71 -8.420 -6.092 -1.137 1.00 0.00 C ATOM 1084 CG LEU A 71 -7.527 -7.357 -1.265 1.00 0.00 C ATOM 1085 CD1 LEU A 71 -6.577 -7.208 -2.471 1.00 0.00 C ATOM 1086 CD2 LEU A 71 -6.723 -7.648 0.019 1.00 0.00 C ATOM 0 H LEU A 71 -11.106 -6.821 -1.356 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.169 -6.416 0.877 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -8.863 -5.896 -2.114 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -7.770 -5.248 -0.906 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.190 -8.208 -1.422 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -5.954 -8.098 -2.555 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.162 -7.087 -3.383 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -5.943 -6.333 -2.329 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.117 -8.542 -0.126 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.074 -6.801 0.241 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.410 -7.806 0.850 1.00 0.00 H new ATOM 1098 N GLU A 72 -9.962 -4.045 1.203 1.00 0.00 N ATOM 1099 CA GLU A 72 -10.461 -2.671 1.484 1.00 0.00 C ATOM 1100 C GLU A 72 -9.627 -1.604 0.712 1.00 0.00 C ATOM 1101 O GLU A 72 -8.391 -1.614 0.753 1.00 0.00 O ATOM 1102 CB GLU A 72 -10.417 -2.429 3.018 1.00 0.00 C ATOM 1103 CG GLU A 72 -11.220 -1.196 3.488 1.00 0.00 C ATOM 1104 CD GLU A 72 -11.088 -0.916 4.986 1.00 0.00 C ATOM 1105 OE1 GLU A 72 -10.120 -0.236 5.389 1.00 0.00 O ATOM 1106 OE2 GLU A 72 -11.956 -1.364 5.766 1.00 0.00 O ATOM 0 H GLU A 72 -9.444 -4.459 1.978 1.00 0.00 H new ATOM 0 HA GLU A 72 -11.490 -2.576 1.137 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -10.802 -3.314 3.525 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -9.378 -2.311 3.326 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -10.885 -0.321 2.932 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -12.272 -1.344 3.245 1.00 0.00 H new ATOM 1113 N THR A 73 -10.328 -0.684 0.025 1.00 0.00 N ATOM 1114 CA THR A 73 -9.685 0.361 -0.829 1.00 0.00 C ATOM 1115 C THR A 73 -9.273 1.616 0.028 1.00 0.00 C ATOM 1116 O THR A 73 -9.244 1.567 1.264 1.00 0.00 O ATOM 1117 CB THR A 73 -10.571 0.666 -2.091 1.00 0.00 C ATOM 1118 OG1 THR A 73 -11.661 1.523 -1.761 1.00 0.00 O ATOM 1119 CG2 THR A 73 -11.129 -0.545 -2.867 1.00 0.00 C ATOM 0 H THR A 73 -11.347 -0.634 0.038 1.00 0.00 H new ATOM 0 HA THR A 73 -8.744 -0.014 -1.231 1.00 0.00 H new ATOM 0 HB THR A 73 -9.859 1.144 -2.764 1.00 0.00 H new ATOM 0 HG1 THR A 73 -12.343 1.013 -1.277 1.00 0.00 H new ATOM 0 HG21 THR A 73 -11.721 -0.194 -3.712 1.00 0.00 H new ATOM 0 HG22 THR A 73 -10.303 -1.156 -3.231 1.00 0.00 H new ATOM 0 HG23 THR A 73 -11.758 -1.142 -2.207 1.00 0.00 H new ATOM 1127 N MET A 74 -8.953 2.752 -0.629 1.00 0.00 N ATOM 1128 CA MET A 74 -8.717 4.059 0.060 1.00 0.00 C ATOM 1129 C MET A 74 -9.956 4.606 0.843 1.00 0.00 C ATOM 1130 O MET A 74 -9.814 4.924 2.028 1.00 0.00 O ATOM 1131 CB MET A 74 -8.180 5.128 -0.926 1.00 0.00 C ATOM 1132 CG MET A 74 -6.793 4.853 -1.526 1.00 0.00 C ATOM 1133 SD MET A 74 -6.325 6.268 -2.536 1.00 0.00 S ATOM 1134 CE MET A 74 -4.614 5.866 -2.916 1.00 0.00 C ATOM 0 H MET A 74 -8.849 2.799 -1.643 1.00 0.00 H new ATOM 0 HA MET A 74 -7.956 3.850 0.812 1.00 0.00 H new ATOM 0 HB2 MET A 74 -8.894 5.231 -1.743 1.00 0.00 H new ATOM 0 HB3 MET A 74 -8.147 6.087 -0.409 1.00 0.00 H new ATOM 0 HG2 MET A 74 -6.061 4.693 -0.734 1.00 0.00 H new ATOM 0 HG3 MET A 74 -6.813 3.946 -2.129 1.00 0.00 H new ATOM 0 HE1 MET A 74 -4.185 6.652 -3.538 1.00 0.00 H new ATOM 0 HE2 MET A 74 -4.045 5.785 -1.990 1.00 0.00 H new ATOM 0 HE3 MET A 74 -4.573 4.917 -3.451 1.00 0.00 H new ATOM 1144 N THR A 75 -11.154 4.671 0.217 1.00 0.00 N ATOM 1145 CA THR A 75 -12.436 4.943 0.934 1.00 0.00 C ATOM 1146 C THR A 75 -12.867 3.727 1.819 1.00 0.00 C ATOM 1147 O THR A 75 -12.833 3.827 3.049 1.00 0.00 O ATOM 1148 CB THR A 75 -13.574 5.426 -0.025 1.00 0.00 C ATOM 1149 OG1 THR A 75 -13.813 4.488 -1.072 1.00 0.00 O ATOM 1150 CG2 THR A 75 -13.338 6.798 -0.669 1.00 0.00 C ATOM 0 H THR A 75 -11.266 4.539 -0.788 1.00 0.00 H new ATOM 0 HA THR A 75 -12.250 5.778 1.610 1.00 0.00 H new ATOM 0 HB THR A 75 -14.440 5.513 0.632 1.00 0.00 H new ATOM 0 HG1 THR A 75 -14.530 4.820 -1.651 1.00 0.00 H new ATOM 0 HG21 THR A 75 -14.180 7.046 -1.316 1.00 0.00 H new ATOM 0 HG22 THR A 75 -13.244 7.554 0.110 1.00 0.00 H new ATOM 0 HG23 THR A 75 -12.422 6.770 -1.260 1.00 0.00 H new ATOM 1158 N GLY A 76 -13.239 2.598 1.192 1.00 0.00 N ATOM 1159 CA GLY A 76 -13.627 1.367 1.904 1.00 0.00 C ATOM 1160 C GLY A 76 -13.995 0.254 0.902 1.00 0.00 C ATOM 1161 O GLY A 76 -13.415 0.145 -0.182 1.00 0.00 O ATOM 0 H GLY A 76 -13.279 2.513 0.176 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -12.807 1.034 2.540 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -14.475 1.570 2.558 1.00 0.00 H new ATOM 1165 N GLU A 77 -14.975 -0.583 1.282 1.00 0.00 N ATOM 1166 CA GLU A 77 -15.571 -1.641 0.422 1.00 0.00 C ATOM 1167 C GLU A 77 -14.566 -2.783 0.088 1.00 0.00 C ATOM 1168 O GLU A 77 -13.598 -2.575 -0.653 1.00 0.00 O ATOM 1169 CB GLU A 77 -16.305 -1.065 -0.827 1.00 0.00 C ATOM 1170 CG GLU A 77 -17.219 -2.053 -1.583 1.00 0.00 C ATOM 1171 CD GLU A 77 -18.485 -2.460 -0.821 1.00 0.00 C ATOM 1172 OE1 GLU A 77 -19.506 -1.744 -0.918 1.00 0.00 O ATOM 1173 OE2 GLU A 77 -18.461 -3.498 -0.122 1.00 0.00 O ATOM 0 H GLU A 77 -15.389 -0.549 2.213 1.00 0.00 H new ATOM 0 HA GLU A 77 -16.353 -2.113 1.017 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -16.906 -0.212 -0.511 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -15.556 -0.687 -1.523 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -17.511 -1.604 -2.533 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -16.647 -2.951 -1.817 1.00 0.00 H new ATOM 1180 N LYS A 78 -14.829 -3.990 0.616 1.00 0.00 N ATOM 1181 CA LYS A 78 -13.943 -5.161 0.411 1.00 0.00 C ATOM 1182 C LYS A 78 -14.335 -5.873 -0.917 1.00 0.00 C ATOM 1183 O LYS A 78 -15.297 -6.646 -0.967 1.00 0.00 O ATOM 1184 CB LYS A 78 -13.973 -6.111 1.636 1.00 0.00 C ATOM 1185 CG LYS A 78 -13.244 -5.650 2.919 1.00 0.00 C ATOM 1186 CD LYS A 78 -14.005 -4.627 3.790 1.00 0.00 C ATOM 1187 CE LYS A 78 -13.371 -4.356 5.170 1.00 0.00 C ATOM 1188 NZ LYS A 78 -13.473 -5.495 6.101 1.00 0.00 N ATOM 0 H LYS A 78 -15.649 -4.186 1.190 1.00 0.00 H new ATOM 0 HA LYS A 78 -12.909 -4.828 0.321 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -15.016 -6.297 1.891 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -13.544 -7.066 1.331 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -13.028 -6.528 3.527 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -12.286 -5.216 2.634 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -14.072 -3.685 3.245 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -15.025 -4.983 3.938 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -12.320 -4.102 5.034 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -13.854 -3.487 5.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -13.028 -5.244 7.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -14.475 -5.725 6.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -12.989 -6.320 5.694 1.00 0.00 H new ATOM 1202 N VAL A 79 -13.587 -5.555 -1.991 1.00 0.00 N ATOM 1203 CA VAL A 79 -13.920 -5.980 -3.382 1.00 0.00 C ATOM 1204 C VAL A 79 -13.121 -7.263 -3.755 1.00 0.00 C ATOM 1205 O VAL A 79 -11.897 -7.315 -3.588 1.00 0.00 O ATOM 1206 CB VAL A 79 -13.728 -4.829 -4.434 1.00 0.00 C ATOM 1207 CG1 VAL A 79 -14.749 -3.682 -4.259 1.00 0.00 C ATOM 1208 CG2 VAL A 79 -12.302 -4.234 -4.542 1.00 0.00 C ATOM 0 H VAL A 79 -12.735 -4.998 -1.929 1.00 0.00 H new ATOM 0 HA VAL A 79 -14.983 -6.219 -3.411 1.00 0.00 H new ATOM 0 HB VAL A 79 -13.910 -5.348 -5.375 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -14.568 -2.916 -5.013 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -15.760 -4.074 -4.375 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -14.640 -3.247 -3.266 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -12.291 -3.449 -5.299 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -12.009 -3.814 -3.580 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -11.600 -5.019 -4.824 1.00 0.00 H new ATOM 1218 N LYS A 80 -13.827 -8.279 -4.289 1.00 0.00 N ATOM 1219 CA LYS A 80 -13.208 -9.565 -4.719 1.00 0.00 C ATOM 1220 C LYS A 80 -12.444 -9.391 -6.063 1.00 0.00 C ATOM 1221 O LYS A 80 -13.040 -9.087 -7.101 1.00 0.00 O ATOM 1222 CB LYS A 80 -14.280 -10.681 -4.830 1.00 0.00 C ATOM 1223 CG LYS A 80 -14.771 -11.240 -3.473 1.00 0.00 C ATOM 1224 CD LYS A 80 -15.644 -12.509 -3.573 1.00 0.00 C ATOM 1225 CE LYS A 80 -17.024 -12.291 -4.224 1.00 0.00 C ATOM 1226 NZ LYS A 80 -17.822 -13.529 -4.232 1.00 0.00 N ATOM 0 H LYS A 80 -14.835 -8.240 -4.437 1.00 0.00 H new ATOM 0 HA LYS A 80 -12.486 -9.865 -3.960 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -15.137 -10.290 -5.378 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -13.871 -11.502 -5.420 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -13.903 -11.461 -2.852 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -15.340 -10.464 -2.961 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -15.102 -13.262 -4.145 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -15.790 -12.913 -2.571 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -17.563 -11.513 -3.683 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -16.893 -11.936 -5.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -18.744 -13.345 -4.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -17.318 -14.263 -4.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -17.968 -13.854 -3.255 1.00 0.00 H new ATOM 1240 N THR A 81 -11.113 -9.566 -5.999 1.00 0.00 N ATOM 1241 CA THR A 81 -10.190 -9.304 -7.136 1.00 0.00 C ATOM 1242 C THR A 81 -9.009 -10.321 -7.090 1.00 0.00 C ATOM 1243 O THR A 81 -8.469 -10.631 -6.023 1.00 0.00 O ATOM 1244 CB THR A 81 -9.736 -7.811 -7.172 1.00 0.00 C ATOM 1245 OG1 THR A 81 -8.951 -7.597 -8.339 1.00 0.00 O ATOM 1246 CG2 THR A 81 -8.951 -7.286 -5.953 1.00 0.00 C ATOM 0 H THR A 81 -10.638 -9.894 -5.158 1.00 0.00 H new ATOM 0 HA THR A 81 -10.714 -9.461 -8.079 1.00 0.00 H new ATOM 0 HB THR A 81 -10.669 -7.247 -7.164 1.00 0.00 H new ATOM 0 HG1 THR A 81 -8.020 -7.432 -8.081 1.00 0.00 H new ATOM 0 HG21 THR A 81 -8.698 -6.237 -6.108 1.00 0.00 H new ATOM 0 HG22 THR A 81 -9.563 -7.383 -5.057 1.00 0.00 H new ATOM 0 HG23 THR A 81 -8.036 -7.866 -5.832 1.00 0.00 H new ATOM 1254 N VAL A 82 -8.596 -10.812 -8.276 1.00 0.00 N ATOM 1255 CA VAL A 82 -7.509 -11.825 -8.407 1.00 0.00 C ATOM 1256 C VAL A 82 -6.159 -11.052 -8.475 1.00 0.00 C ATOM 1257 O VAL A 82 -5.914 -10.295 -9.421 1.00 0.00 O ATOM 1258 CB VAL A 82 -7.735 -12.772 -9.639 1.00 0.00 C ATOM 1259 CG1 VAL A 82 -6.605 -13.814 -9.824 1.00 0.00 C ATOM 1260 CG2 VAL A 82 -9.073 -13.546 -9.578 1.00 0.00 C ATOM 0 H VAL A 82 -8.998 -10.525 -9.169 1.00 0.00 H new ATOM 0 HA VAL A 82 -7.502 -12.492 -7.545 1.00 0.00 H new ATOM 0 HB VAL A 82 -7.746 -12.086 -10.486 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -6.822 -14.436 -10.692 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -5.656 -13.299 -9.975 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -6.540 -14.441 -8.935 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -9.166 -14.181 -10.459 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -9.095 -14.164 -8.681 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -9.902 -12.838 -9.552 1.00 0.00 H new ATOM 1270 N VAL A 83 -5.292 -11.285 -7.473 1.00 0.00 N ATOM 1271 CA VAL A 83 -3.945 -10.658 -7.411 1.00 0.00 C ATOM 1272 C VAL A 83 -2.937 -11.741 -7.884 1.00 0.00 C ATOM 1273 O VAL A 83 -2.579 -12.629 -7.106 1.00 0.00 O ATOM 1274 CB VAL A 83 -3.602 -10.086 -5.990 1.00 0.00 C ATOM 1275 CG1 VAL A 83 -2.287 -9.275 -6.040 1.00 0.00 C ATOM 1276 CG2 VAL A 83 -4.695 -9.213 -5.326 1.00 0.00 C ATOM 0 H VAL A 83 -5.495 -11.905 -6.689 1.00 0.00 H new ATOM 0 HA VAL A 83 -3.901 -9.783 -8.059 1.00 0.00 H new ATOM 0 HB VAL A 83 -3.512 -10.975 -5.365 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -2.062 -8.885 -5.047 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -1.473 -9.921 -6.369 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -2.397 -8.446 -6.739 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -4.347 -8.874 -4.350 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.903 -8.349 -5.957 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -5.605 -9.800 -5.203 1.00 0.00 H new ATOM 1286 N GLN A 84 -2.489 -11.662 -9.152 1.00 0.00 N ATOM 1287 CA GLN A 84 -1.542 -12.656 -9.724 1.00 0.00 C ATOM 1288 C GLN A 84 -0.102 -12.095 -9.717 1.00 0.00 C ATOM 1289 O GLN A 84 0.150 -10.926 -10.025 1.00 0.00 O ATOM 1290 CB GLN A 84 -1.975 -13.073 -11.152 1.00 0.00 C ATOM 1291 CG GLN A 84 -1.299 -14.334 -11.750 1.00 0.00 C ATOM 1292 CD GLN A 84 -1.574 -15.645 -10.986 1.00 0.00 C ATOM 1293 OE1 GLN A 84 -0.852 -16.006 -10.057 1.00 0.00 O ATOM 1294 NE2 GLN A 84 -2.615 -16.378 -11.352 1.00 0.00 N ATOM 0 H GLN A 84 -2.763 -10.926 -9.802 1.00 0.00 H new ATOM 0 HA GLN A 84 -1.560 -13.549 -9.100 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -3.053 -13.237 -11.146 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -1.784 -12.235 -11.823 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -1.635 -14.454 -12.780 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -0.222 -14.169 -11.783 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -3.209 -16.072 -12.123 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -2.823 -17.249 -10.863 1.00 0.00 H new ATOM 1303 N LEU A 85 0.834 -12.996 -9.408 1.00 0.00 N ATOM 1304 CA LEU A 85 2.279 -12.693 -9.375 1.00 0.00 C ATOM 1305 C LEU A 85 2.895 -13.107 -10.737 1.00 0.00 C ATOM 1306 O LEU A 85 3.098 -14.295 -11.011 1.00 0.00 O ATOM 1307 CB LEU A 85 2.892 -13.413 -8.144 1.00 0.00 C ATOM 1308 CG LEU A 85 4.423 -13.271 -7.959 1.00 0.00 C ATOM 1309 CD1 LEU A 85 4.882 -11.804 -7.874 1.00 0.00 C ATOM 1310 CD2 LEU A 85 4.911 -14.060 -6.730 1.00 0.00 C ATOM 0 H LEU A 85 0.616 -13.964 -9.171 1.00 0.00 H new ATOM 0 HA LEU A 85 2.491 -11.631 -9.253 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.402 -13.034 -7.247 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.653 -14.474 -8.214 1.00 0.00 H new ATOM 0 HG LEU A 85 4.878 -13.696 -8.853 1.00 0.00 H new ATOM 0 HD11 LEU A 85 5.964 -11.768 -7.745 1.00 0.00 H new ATOM 0 HD12 LEU A 85 4.609 -11.284 -8.792 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.399 -11.320 -7.025 1.00 0.00 H new ATOM 0 HD21 LEU A 85 5.990 -13.941 -6.626 1.00 0.00 H new ATOM 0 HD22 LEU A 85 4.416 -13.682 -5.835 1.00 0.00 H new ATOM 0 HD23 LEU A 85 4.673 -15.116 -6.858 1.00 0.00 H new ATOM 1322 N GLU A 86 3.190 -12.095 -11.570 1.00 0.00 N ATOM 1323 CA GLU A 86 3.798 -12.287 -12.906 1.00 0.00 C ATOM 1324 C GLU A 86 5.329 -12.095 -12.785 1.00 0.00 C ATOM 1325 O GLU A 86 5.835 -11.015 -12.458 1.00 0.00 O ATOM 1326 CB GLU A 86 3.145 -11.326 -13.929 1.00 0.00 C ATOM 1327 CG GLU A 86 1.780 -11.853 -14.414 1.00 0.00 C ATOM 1328 CD GLU A 86 1.099 -10.950 -15.445 1.00 0.00 C ATOM 1329 OE1 GLU A 86 1.573 -10.882 -16.601 1.00 0.00 O ATOM 1330 OE2 GLU A 86 0.080 -10.309 -15.105 1.00 0.00 O ATOM 0 H GLU A 86 3.015 -11.117 -11.339 1.00 0.00 H new ATOM 0 HA GLU A 86 3.617 -13.297 -13.275 1.00 0.00 H new ATOM 0 HB2 GLU A 86 3.015 -10.344 -13.475 1.00 0.00 H new ATOM 0 HB3 GLU A 86 3.810 -11.197 -14.783 1.00 0.00 H new ATOM 0 HG2 GLU A 86 1.917 -12.844 -14.847 1.00 0.00 H new ATOM 0 HG3 GLU A 86 1.120 -11.969 -13.554 1.00 0.00 H new ATOM 1337 N GLY A 87 6.031 -13.216 -13.002 1.00 0.00 N ATOM 1338 CA GLY A 87 7.461 -13.354 -12.646 1.00 0.00 C ATOM 1339 C GLY A 87 7.660 -13.587 -11.131 1.00 0.00 C ATOM 1340 O GLY A 87 6.994 -14.435 -10.529 1.00 0.00 O ATOM 0 H GLY A 87 5.631 -14.052 -13.427 1.00 0.00 H new ATOM 0 HA2 GLY A 87 7.894 -14.186 -13.201 1.00 0.00 H new ATOM 0 HA3 GLY A 87 7.998 -12.455 -12.948 1.00 0.00 H new ATOM 1344 N ASP A 88 8.556 -12.790 -10.527 1.00 0.00 N ATOM 1345 CA ASP A 88 8.571 -12.573 -9.049 1.00 0.00 C ATOM 1346 C ASP A 88 8.754 -11.050 -8.727 1.00 0.00 C ATOM 1347 O ASP A 88 9.618 -10.670 -7.929 1.00 0.00 O ATOM 1348 CB ASP A 88 9.631 -13.476 -8.350 1.00 0.00 C ATOM 1349 CG ASP A 88 9.283 -14.969 -8.277 1.00 0.00 C ATOM 1350 OD1 ASP A 88 8.540 -15.371 -7.354 1.00 0.00 O ATOM 1351 OD2 ASP A 88 9.748 -15.742 -9.143 1.00 0.00 O ATOM 0 H ASP A 88 9.284 -12.280 -11.028 1.00 0.00 H new ATOM 0 HA ASP A 88 7.608 -12.875 -8.639 1.00 0.00 H new ATOM 0 HB2 ASP A 88 10.579 -13.367 -8.877 1.00 0.00 H new ATOM 0 HB3 ASP A 88 9.785 -13.107 -7.336 1.00 0.00 H new ATOM 1356 N ASN A 89 7.918 -10.174 -9.332 1.00 0.00 N ATOM 1357 CA ASN A 89 8.017 -8.696 -9.162 1.00 0.00 C ATOM 1358 C ASN A 89 6.722 -7.880 -9.468 1.00 0.00 C ATOM 1359 O ASN A 89 6.673 -6.739 -9.008 1.00 0.00 O ATOM 1360 CB ASN A 89 9.251 -8.083 -9.893 1.00 0.00 C ATOM 1361 CG ASN A 89 9.208 -7.981 -11.435 1.00 0.00 C ATOM 1362 OD1 ASN A 89 8.977 -8.964 -12.139 1.00 0.00 O ATOM 1363 ND2 ASN A 89 9.435 -6.794 -11.983 1.00 0.00 N ATOM 0 H ASN A 89 7.159 -10.464 -9.949 1.00 0.00 H new ATOM 0 HA ASN A 89 8.162 -8.592 -8.087 1.00 0.00 H new ATOM 0 HB2 ASN A 89 9.409 -7.080 -9.497 1.00 0.00 H new ATOM 0 HB3 ASN A 89 10.126 -8.674 -9.622 1.00 0.00 H new ATOM 0 HD21 ASN A 89 9.419 -6.689 -12.997 1.00 0.00 H new ATOM 0 HD22 ASN A 89 9.625 -5.986 -11.390 1.00 0.00 H new ATOM 1370 N LYS A 90 5.727 -8.378 -10.236 1.00 0.00 N ATOM 1371 CA LYS A 90 4.536 -7.575 -10.646 1.00 0.00 C ATOM 1372 C LYS A 90 3.244 -8.222 -10.080 1.00 0.00 C ATOM 1373 O LYS A 90 2.852 -9.310 -10.511 1.00 0.00 O ATOM 1374 CB LYS A 90 4.471 -7.444 -12.194 1.00 0.00 C ATOM 1375 CG LYS A 90 5.494 -6.445 -12.785 1.00 0.00 C ATOM 1376 CD LYS A 90 5.519 -6.350 -14.327 1.00 0.00 C ATOM 1377 CE LYS A 90 6.368 -7.409 -15.064 1.00 0.00 C ATOM 1378 NZ LYS A 90 5.745 -8.743 -15.132 1.00 0.00 N ATOM 0 H LYS A 90 5.719 -9.335 -10.589 1.00 0.00 H new ATOM 0 HA LYS A 90 4.625 -6.570 -10.234 1.00 0.00 H new ATOM 0 HB2 LYS A 90 4.638 -8.425 -12.639 1.00 0.00 H new ATOM 0 HB3 LYS A 90 3.467 -7.131 -12.480 1.00 0.00 H new ATOM 0 HG2 LYS A 90 5.283 -5.455 -12.381 1.00 0.00 H new ATOM 0 HG3 LYS A 90 6.489 -6.725 -12.440 1.00 0.00 H new ATOM 0 HD2 LYS A 90 4.494 -6.420 -14.691 1.00 0.00 H new ATOM 0 HD3 LYS A 90 5.889 -5.362 -14.603 1.00 0.00 H new ATOM 0 HE2 LYS A 90 6.564 -7.060 -16.078 1.00 0.00 H new ATOM 0 HE3 LYS A 90 7.333 -7.496 -14.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 6.182 -9.291 -15.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 5.887 -9.239 -14.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 4.726 -8.641 -15.315 1.00 0.00 H new ATOM 1392 N LEU A 91 2.567 -7.527 -9.143 1.00 0.00 N ATOM 1393 CA LEU A 91 1.258 -7.977 -8.586 1.00 0.00 C ATOM 1394 C LEU A 91 0.131 -7.220 -9.343 1.00 0.00 C ATOM 1395 O LEU A 91 -0.070 -6.021 -9.125 1.00 0.00 O ATOM 1396 CB LEU A 91 1.165 -7.721 -7.056 1.00 0.00 C ATOM 1397 CG LEU A 91 2.187 -8.462 -6.148 1.00 0.00 C ATOM 1398 CD1 LEU A 91 2.383 -7.701 -4.824 1.00 0.00 C ATOM 1399 CD2 LEU A 91 1.787 -9.929 -5.892 1.00 0.00 C ATOM 0 H LEU A 91 2.901 -6.647 -8.750 1.00 0.00 H new ATOM 0 HA LEU A 91 1.154 -9.053 -8.726 1.00 0.00 H new ATOM 0 HB2 LEU A 91 1.276 -6.650 -6.885 1.00 0.00 H new ATOM 0 HB3 LEU A 91 0.162 -7.994 -6.728 1.00 0.00 H new ATOM 0 HG LEU A 91 3.138 -8.485 -6.680 1.00 0.00 H new ATOM 0 HD11 LEU A 91 3.101 -8.234 -4.201 1.00 0.00 H new ATOM 0 HD12 LEU A 91 2.757 -6.699 -5.032 1.00 0.00 H new ATOM 0 HD13 LEU A 91 1.430 -7.631 -4.300 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.532 -10.403 -5.253 1.00 0.00 H new ATOM 0 HD22 LEU A 91 0.815 -9.961 -5.401 1.00 0.00 H new ATOM 0 HD23 LEU A 91 1.731 -10.462 -6.841 1.00 0.00 H new ATOM 1411 N VAL A 92 -0.567 -7.915 -10.260 1.00 0.00 N ATOM 1412 CA VAL A 92 -1.486 -7.269 -11.242 1.00 0.00 C ATOM 1413 C VAL A 92 -2.936 -7.565 -10.762 1.00 0.00 C ATOM 1414 O VAL A 92 -3.375 -8.721 -10.761 1.00 0.00 O ATOM 1415 CB VAL A 92 -1.191 -7.749 -12.705 1.00 0.00 C ATOM 1416 CG1 VAL A 92 -2.131 -7.108 -13.756 1.00 0.00 C ATOM 1417 CG2 VAL A 92 0.269 -7.493 -13.160 1.00 0.00 C ATOM 0 H VAL A 92 -0.518 -8.930 -10.349 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.338 -6.190 -11.281 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.369 -8.823 -12.658 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -1.876 -7.481 -14.748 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -3.164 -7.367 -13.526 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -2.015 -6.024 -13.735 1.00 0.00 H new ATOM 0 HG21 VAL A 92 0.400 -7.850 -14.181 1.00 0.00 H new ATOM 0 HG22 VAL A 92 0.481 -6.425 -13.120 1.00 0.00 H new ATOM 0 HG23 VAL A 92 0.954 -8.024 -12.499 1.00 0.00 H new ATOM 1427 N THR A 93 -3.658 -6.503 -10.356 1.00 0.00 N ATOM 1428 CA THR A 93 -5.019 -6.629 -9.761 1.00 0.00 C ATOM 1429 C THR A 93 -5.904 -5.418 -10.161 1.00 0.00 C ATOM 1430 O THR A 93 -5.484 -4.264 -10.046 1.00 0.00 O ATOM 1431 CB THR A 93 -4.942 -6.836 -8.221 1.00 0.00 C ATOM 1432 OG1 THR A 93 -6.242 -7.070 -7.696 1.00 0.00 O ATOM 1433 CG2 THR A 93 -4.292 -5.714 -7.394 1.00 0.00 C ATOM 0 H THR A 93 -3.327 -5.541 -10.426 1.00 0.00 H new ATOM 0 HA THR A 93 -5.497 -7.520 -10.167 1.00 0.00 H new ATOM 0 HB THR A 93 -4.277 -7.693 -8.119 1.00 0.00 H new ATOM 0 HG1 THR A 93 -6.288 -6.737 -6.776 1.00 0.00 H new ATOM 0 HG21 THR A 93 -4.304 -5.986 -6.339 1.00 0.00 H new ATOM 0 HG22 THR A 93 -3.262 -5.571 -7.721 1.00 0.00 H new ATOM 0 HG23 THR A 93 -4.849 -4.788 -7.536 1.00 0.00 H new ATOM 1441 N THR A 94 -7.148 -5.698 -10.581 1.00 0.00 N ATOM 1442 CA THR A 94 -8.118 -4.649 -10.997 1.00 0.00 C ATOM 1443 C THR A 94 -9.186 -4.517 -9.874 1.00 0.00 C ATOM 1444 O THR A 94 -10.051 -5.387 -9.732 1.00 0.00 O ATOM 1445 CB THR A 94 -8.699 -4.966 -12.407 1.00 0.00 C ATOM 1446 OG1 THR A 94 -7.639 -5.126 -13.348 1.00 0.00 O ATOM 1447 CG2 THR A 94 -9.614 -3.857 -12.958 1.00 0.00 C ATOM 0 H THR A 94 -7.516 -6.647 -10.645 1.00 0.00 H new ATOM 0 HA THR A 94 -7.637 -3.678 -11.111 1.00 0.00 H new ATOM 0 HB THR A 94 -9.285 -5.877 -12.281 1.00 0.00 H new ATOM 0 HG1 THR A 94 -8.013 -5.327 -14.231 1.00 0.00 H new ATOM 0 HG21 THR A 94 -9.982 -4.145 -13.943 1.00 0.00 H new ATOM 0 HG22 THR A 94 -10.457 -3.712 -12.283 1.00 0.00 H new ATOM 0 HG23 THR A 94 -9.051 -2.927 -13.039 1.00 0.00 H new ATOM 1455 N PHE A 95 -9.132 -3.410 -9.102 1.00 0.00 N ATOM 1456 CA PHE A 95 -10.124 -3.116 -8.023 1.00 0.00 C ATOM 1457 C PHE A 95 -11.384 -2.422 -8.637 1.00 0.00 C ATOM 1458 O PHE A 95 -11.540 -1.199 -8.548 1.00 0.00 O ATOM 1459 CB PHE A 95 -9.491 -2.228 -6.907 1.00 0.00 C ATOM 1460 CG PHE A 95 -8.288 -2.773 -6.115 1.00 0.00 C ATOM 1461 CD1 PHE A 95 -8.484 -3.470 -4.917 1.00 0.00 C ATOM 1462 CD2 PHE A 95 -6.984 -2.479 -6.531 1.00 0.00 C ATOM 1463 CE1 PHE A 95 -7.392 -3.872 -4.153 1.00 0.00 C ATOM 1464 CE2 PHE A 95 -5.896 -2.878 -5.758 1.00 0.00 C ATOM 1465 CZ PHE A 95 -6.099 -3.581 -4.576 1.00 0.00 C ATOM 0 H PHE A 95 -8.410 -2.696 -9.201 1.00 0.00 H new ATOM 0 HA PHE A 95 -10.428 -4.056 -7.563 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -9.184 -1.289 -7.368 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -10.277 -1.990 -6.190 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -9.486 -3.697 -4.584 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -6.821 -1.942 -7.453 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -7.549 -4.411 -3.230 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -4.892 -2.641 -6.078 1.00 0.00 H new ATOM 0 HZ PHE A 95 -5.253 -3.901 -3.986 1.00 0.00 H new ATOM 1475 N LYS A 96 -12.259 -3.215 -9.300 1.00 0.00 N ATOM 1476 CA LYS A 96 -13.363 -2.714 -10.174 1.00 0.00 C ATOM 1477 C LYS A 96 -12.837 -2.063 -11.496 1.00 0.00 C ATOM 1478 O LYS A 96 -12.920 -2.685 -12.559 1.00 0.00 O ATOM 1479 CB LYS A 96 -14.476 -1.934 -9.407 1.00 0.00 C ATOM 1480 CG LYS A 96 -15.780 -1.720 -10.214 1.00 0.00 C ATOM 1481 CD LYS A 96 -16.903 -0.971 -9.467 1.00 0.00 C ATOM 1482 CE LYS A 96 -17.587 -1.790 -8.355 1.00 0.00 C ATOM 1483 NZ LYS A 96 -18.705 -1.048 -7.743 1.00 0.00 N ATOM 0 H LYS A 96 -12.223 -4.233 -9.247 1.00 0.00 H new ATOM 0 HA LYS A 96 -13.909 -3.590 -10.523 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -14.715 -2.474 -8.491 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -14.083 -0.961 -9.111 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -15.539 -1.167 -11.122 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -16.159 -2.694 -10.524 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -16.488 -0.063 -9.029 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -17.658 -0.661 -10.189 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -17.956 -2.729 -8.768 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -16.856 -2.045 -7.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -19.142 -1.629 -6.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -18.349 -0.164 -7.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -19.414 -0.827 -8.471 1.00 0.00 H new ATOM 1497 N ASN A 97 -12.306 -0.830 -11.411 1.00 0.00 N ATOM 1498 CA ASN A 97 -11.662 -0.108 -12.545 1.00 0.00 C ATOM 1499 C ASN A 97 -10.132 0.176 -12.358 1.00 0.00 C ATOM 1500 O ASN A 97 -9.451 0.374 -13.368 1.00 0.00 O ATOM 1501 CB ASN A 97 -12.422 1.226 -12.788 1.00 0.00 C ATOM 1502 CG ASN A 97 -13.861 1.101 -13.328 1.00 0.00 C ATOM 1503 OD1 ASN A 97 -14.084 0.679 -14.463 1.00 0.00 O ATOM 1504 ND2 ASN A 97 -14.858 1.474 -12.541 1.00 0.00 N ATOM 0 H ASN A 97 -12.308 -0.292 -10.545 1.00 0.00 H new ATOM 0 HA ASN A 97 -11.728 -0.770 -13.408 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -12.455 1.777 -11.848 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -11.844 1.827 -13.490 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -15.820 1.413 -12.873 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -14.664 1.822 -11.602 1.00 0.00 H new ATOM 1511 N ILE A 98 -9.586 0.226 -11.118 1.00 0.00 N ATOM 1512 CA ILE A 98 -8.185 0.663 -10.837 1.00 0.00 C ATOM 1513 C ILE A 98 -7.220 -0.516 -11.164 1.00 0.00 C ATOM 1514 O ILE A 98 -7.116 -1.462 -10.377 1.00 0.00 O ATOM 1515 CB ILE A 98 -8.036 1.133 -9.340 1.00 0.00 C ATOM 1516 CG1 ILE A 98 -8.995 2.290 -8.918 1.00 0.00 C ATOM 1517 CG2 ILE A 98 -6.572 1.514 -8.981 1.00 0.00 C ATOM 1518 CD1 ILE A 98 -9.262 2.383 -7.406 1.00 0.00 C ATOM 0 H ILE A 98 -10.102 -0.035 -10.278 1.00 0.00 H new ATOM 0 HA ILE A 98 -7.930 1.517 -11.465 1.00 0.00 H new ATOM 0 HB ILE A 98 -8.333 0.254 -8.767 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -8.573 3.236 -9.258 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -9.946 2.162 -9.434 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -6.524 1.831 -7.939 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -5.925 0.650 -9.128 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -6.240 2.329 -9.624 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -9.938 3.215 -7.206 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -9.716 1.455 -7.059 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -8.321 2.546 -6.880 1.00 0.00 H new ATOM 1530 N LYS A 99 -6.473 -0.412 -12.278 1.00 0.00 N ATOM 1531 CA LYS A 99 -5.461 -1.428 -12.665 1.00 0.00 C ATOM 1532 C LYS A 99 -4.130 -1.163 -11.897 1.00 0.00 C ATOM 1533 O LYS A 99 -3.298 -0.344 -12.300 1.00 0.00 O ATOM 1534 CB LYS A 99 -5.314 -1.416 -14.209 1.00 0.00 C ATOM 1535 CG LYS A 99 -4.458 -2.575 -14.762 1.00 0.00 C ATOM 1536 CD LYS A 99 -4.227 -2.490 -16.284 1.00 0.00 C ATOM 1537 CE LYS A 99 -3.387 -3.644 -16.866 1.00 0.00 C ATOM 1538 NZ LYS A 99 -4.092 -4.940 -16.851 1.00 0.00 N ATOM 0 H LYS A 99 -6.547 0.367 -12.933 1.00 0.00 H new ATOM 0 HA LYS A 99 -5.773 -2.433 -12.382 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -6.306 -1.462 -14.659 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -4.868 -0.469 -14.515 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -3.493 -2.579 -14.255 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -4.945 -3.521 -14.528 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -5.195 -2.472 -16.786 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -3.732 -1.546 -16.512 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -3.108 -3.401 -17.891 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -2.462 -3.734 -16.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -3.476 -5.675 -17.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -4.335 -5.191 -15.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -4.962 -4.869 -17.416 1.00 0.00 H new ATOM 1552 N SER A 100 -3.966 -1.881 -10.778 1.00 0.00 N ATOM 1553 CA SER A 100 -2.815 -1.740 -9.857 1.00 0.00 C ATOM 1554 C SER A 100 -1.714 -2.754 -10.240 1.00 0.00 C ATOM 1555 O SER A 100 -1.924 -3.968 -10.168 1.00 0.00 O ATOM 1556 CB SER A 100 -3.311 -2.002 -8.420 1.00 0.00 C ATOM 1557 OG SER A 100 -4.089 -0.913 -7.937 1.00 0.00 O ATOM 0 H SER A 100 -4.636 -2.589 -10.477 1.00 0.00 H new ATOM 0 HA SER A 100 -2.394 -0.737 -9.924 1.00 0.00 H new ATOM 0 HB2 SER A 100 -3.906 -2.915 -8.399 1.00 0.00 H new ATOM 0 HB3 SER A 100 -2.457 -2.163 -7.762 1.00 0.00 H new ATOM 0 HG SER A 100 -4.829 -1.255 -7.394 1.00 0.00 H new ATOM 1563 N VAL A 101 -0.546 -2.230 -10.640 1.00 0.00 N ATOM 1564 CA VAL A 101 0.614 -3.055 -11.070 1.00 0.00 C ATOM 1565 C VAL A 101 1.743 -2.711 -10.057 1.00 0.00 C ATOM 1566 O VAL A 101 2.373 -1.652 -10.163 1.00 0.00 O ATOM 1567 CB VAL A 101 0.989 -2.764 -12.566 1.00 0.00 C ATOM 1568 CG1 VAL A 101 2.257 -3.522 -13.019 1.00 0.00 C ATOM 1569 CG2 VAL A 101 -0.149 -3.086 -13.565 1.00 0.00 C ATOM 0 H VAL A 101 -0.370 -1.226 -10.678 1.00 0.00 H new ATOM 0 HA VAL A 101 0.408 -4.125 -11.056 1.00 0.00 H new ATOM 0 HB VAL A 101 1.175 -1.690 -12.584 1.00 0.00 H new ATOM 0 HG11 VAL A 101 2.470 -3.284 -14.061 1.00 0.00 H new ATOM 0 HG12 VAL A 101 3.101 -3.222 -12.398 1.00 0.00 H new ATOM 0 HG13 VAL A 101 2.095 -4.595 -12.918 1.00 0.00 H new ATOM 0 HG21 VAL A 101 0.182 -2.860 -14.579 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -0.407 -4.143 -13.494 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -1.024 -2.482 -13.326 1.00 0.00 H new ATOM 1579 N THR A 102 1.994 -3.609 -9.085 1.00 0.00 N ATOM 1580 CA THR A 102 2.964 -3.348 -7.984 1.00 0.00 C ATOM 1581 C THR A 102 4.357 -3.889 -8.416 1.00 0.00 C ATOM 1582 O THR A 102 4.667 -5.062 -8.197 1.00 0.00 O ATOM 1583 CB THR A 102 2.463 -3.953 -6.639 1.00 0.00 C ATOM 1584 OG1 THR A 102 1.087 -3.657 -6.402 1.00 0.00 O ATOM 1585 CG2 THR A 102 3.254 -3.463 -5.418 1.00 0.00 C ATOM 0 H THR A 102 1.543 -4.523 -9.033 1.00 0.00 H new ATOM 0 HA THR A 102 3.055 -2.277 -7.804 1.00 0.00 H new ATOM 0 HB THR A 102 2.612 -5.027 -6.754 1.00 0.00 H new ATOM 0 HG1 THR A 102 0.955 -2.686 -6.413 1.00 0.00 H new ATOM 0 HG21 THR A 102 2.852 -3.924 -4.515 1.00 0.00 H new ATOM 0 HG22 THR A 102 4.303 -3.738 -5.530 1.00 0.00 H new ATOM 0 HG23 THR A 102 3.169 -2.379 -5.341 1.00 0.00 H new ATOM 1593 N GLU A 103 5.182 -3.021 -9.030 1.00 0.00 N ATOM 1594 CA GLU A 103 6.506 -3.398 -9.588 1.00 0.00 C ATOM 1595 C GLU A 103 7.584 -3.393 -8.474 1.00 0.00 C ATOM 1596 O GLU A 103 7.600 -2.485 -7.643 1.00 0.00 O ATOM 1597 CB GLU A 103 6.915 -2.357 -10.662 1.00 0.00 C ATOM 1598 CG GLU A 103 6.024 -2.259 -11.918 1.00 0.00 C ATOM 1599 CD GLU A 103 6.408 -1.081 -12.814 1.00 0.00 C ATOM 1600 OE1 GLU A 103 5.885 0.035 -12.597 1.00 0.00 O ATOM 1601 OE2 GLU A 103 7.239 -1.260 -13.733 1.00 0.00 O ATOM 0 H GLU A 103 4.954 -2.035 -9.156 1.00 0.00 H new ATOM 0 HA GLU A 103 6.433 -4.396 -10.020 1.00 0.00 H new ATOM 0 HB2 GLU A 103 6.943 -1.375 -10.189 1.00 0.00 H new ATOM 0 HB3 GLU A 103 7.931 -2.584 -10.984 1.00 0.00 H new ATOM 0 HG2 GLU A 103 6.100 -3.185 -12.488 1.00 0.00 H new ATOM 0 HG3 GLU A 103 4.982 -2.157 -11.614 1.00 0.00 H new ATOM 1608 N LEU A 104 8.508 -4.366 -8.490 1.00 0.00 N ATOM 1609 CA LEU A 104 9.678 -4.376 -7.571 1.00 0.00 C ATOM 1610 C LEU A 104 10.955 -4.317 -8.454 1.00 0.00 C ATOM 1611 O LEU A 104 11.306 -5.299 -9.119 1.00 0.00 O ATOM 1612 CB LEU A 104 9.643 -5.614 -6.621 1.00 0.00 C ATOM 1613 CG LEU A 104 10.203 -5.401 -5.182 1.00 0.00 C ATOM 1614 CD1 LEU A 104 10.299 -6.742 -4.437 1.00 0.00 C ATOM 1615 CD2 LEU A 104 11.564 -4.687 -5.081 1.00 0.00 C ATOM 0 H LEU A 104 8.475 -5.162 -9.127 1.00 0.00 H new ATOM 0 HA LEU A 104 9.663 -3.513 -6.905 1.00 0.00 H new ATOM 0 HB2 LEU A 104 8.610 -5.952 -6.539 1.00 0.00 H new ATOM 0 HB3 LEU A 104 10.206 -6.421 -7.091 1.00 0.00 H new ATOM 0 HG LEU A 104 9.479 -4.728 -4.722 1.00 0.00 H new ATOM 0 HD11 LEU A 104 10.692 -6.574 -3.434 1.00 0.00 H new ATOM 0 HD12 LEU A 104 9.308 -7.192 -4.368 1.00 0.00 H new ATOM 0 HD13 LEU A 104 10.965 -7.413 -4.980 1.00 0.00 H new ATOM 0 HD21 LEU A 104 11.850 -4.596 -4.033 1.00 0.00 H new ATOM 0 HD22 LEU A 104 12.319 -5.265 -5.615 1.00 0.00 H new ATOM 0 HD23 LEU A 104 11.488 -3.694 -5.524 1.00 0.00 H new ATOM 1627 N ASN A 105 11.641 -3.156 -8.464 1.00 0.00 N ATOM 1628 CA ASN A 105 12.843 -2.930 -9.315 1.00 0.00 C ATOM 1629 C ASN A 105 14.115 -3.381 -8.533 1.00 0.00 C ATOM 1630 O ASN A 105 14.392 -4.586 -8.504 1.00 0.00 O ATOM 1631 CB ASN A 105 12.836 -1.482 -9.899 1.00 0.00 C ATOM 1632 CG ASN A 105 11.865 -1.201 -11.067 1.00 0.00 C ATOM 1633 OD1 ASN A 105 12.284 -1.048 -12.213 1.00 0.00 O ATOM 1634 ND2 ASN A 105 10.566 -1.106 -10.818 1.00 0.00 N ATOM 0 H ASN A 105 11.386 -2.352 -7.891 1.00 0.00 H new ATOM 0 HA ASN A 105 12.837 -3.553 -10.209 1.00 0.00 H new ATOM 0 HB2 ASN A 105 12.600 -0.791 -9.089 1.00 0.00 H new ATOM 0 HB3 ASN A 105 13.846 -1.247 -10.234 1.00 0.00 H new ATOM 0 HD21 ASN A 105 9.915 -0.906 -11.577 1.00 0.00 H new ATOM 0 HD22 ASN A 105 10.218 -1.233 -9.868 1.00 0.00 H new ATOM 1641 N GLY A 106 14.866 -2.459 -7.902 1.00 0.00 N ATOM 1642 CA GLY A 106 16.093 -2.799 -7.138 1.00 0.00 C ATOM 1643 C GLY A 106 15.779 -3.043 -5.651 1.00 0.00 C ATOM 1644 O GLY A 106 15.223 -4.090 -5.305 1.00 0.00 O ATOM 0 H GLY A 106 14.646 -1.463 -7.904 1.00 0.00 H new ATOM 0 HA2 GLY A 106 16.554 -3.690 -7.565 1.00 0.00 H new ATOM 0 HA3 GLY A 106 16.817 -1.990 -7.231 1.00 0.00 H new ATOM 1648 N ASP A 107 16.108 -2.059 -4.795 1.00 0.00 N ATOM 1649 CA ASP A 107 15.570 -1.997 -3.402 1.00 0.00 C ATOM 1650 C ASP A 107 14.586 -0.787 -3.267 1.00 0.00 C ATOM 1651 O ASP A 107 14.771 0.114 -2.443 1.00 0.00 O ATOM 1652 CB ASP A 107 16.730 -1.969 -2.366 1.00 0.00 C ATOM 1653 CG ASP A 107 17.560 -3.259 -2.267 1.00 0.00 C ATOM 1654 OD1 ASP A 107 18.536 -3.409 -3.036 1.00 0.00 O ATOM 1655 OD2 ASP A 107 17.240 -4.124 -1.421 1.00 0.00 O ATOM 0 H ASP A 107 16.740 -1.294 -5.031 1.00 0.00 H new ATOM 0 HA ASP A 107 14.996 -2.898 -3.186 1.00 0.00 H new ATOM 0 HB2 ASP A 107 17.399 -1.146 -2.618 1.00 0.00 H new ATOM 0 HB3 ASP A 107 16.311 -1.751 -1.384 1.00 0.00 H new ATOM 1660 N ILE A 108 13.514 -0.804 -4.085 1.00 0.00 N ATOM 1661 CA ILE A 108 12.410 0.191 -4.061 1.00 0.00 C ATOM 1662 C ILE A 108 11.055 -0.580 -4.263 1.00 0.00 C ATOM 1663 O ILE A 108 10.987 -1.806 -4.118 1.00 0.00 O ATOM 1664 CB ILE A 108 12.653 1.370 -5.077 1.00 0.00 C ATOM 1665 CG1 ILE A 108 12.733 0.917 -6.563 1.00 0.00 C ATOM 1666 CG2 ILE A 108 13.823 2.313 -4.713 1.00 0.00 C ATOM 1667 CD1 ILE A 108 12.095 1.913 -7.534 1.00 0.00 C ATOM 0 H ILE A 108 13.384 -1.523 -4.797 1.00 0.00 H new ATOM 0 HA ILE A 108 12.367 0.694 -3.095 1.00 0.00 H new ATOM 0 HB ILE A 108 11.746 1.966 -4.973 1.00 0.00 H new ATOM 0 HG12 ILE A 108 13.778 0.773 -6.836 1.00 0.00 H new ATOM 0 HG13 ILE A 108 12.240 -0.049 -6.668 1.00 0.00 H new ATOM 0 HG21 ILE A 108 13.912 3.092 -5.471 1.00 0.00 H new ATOM 0 HG22 ILE A 108 13.633 2.771 -3.742 1.00 0.00 H new ATOM 0 HG23 ILE A 108 14.750 1.742 -4.669 1.00 0.00 H new ATOM 0 HD11 ILE A 108 12.185 1.536 -8.553 1.00 0.00 H new ATOM 0 HD12 ILE A 108 11.041 2.039 -7.286 1.00 0.00 H new ATOM 0 HD13 ILE A 108 12.604 2.874 -7.456 1.00 0.00 H new ATOM 1679 N ILE A 109 9.959 0.128 -4.610 1.00 0.00 N ATOM 1680 CA ILE A 109 8.714 -0.503 -5.130 1.00 0.00 C ATOM 1681 C ILE A 109 7.942 0.588 -5.939 1.00 0.00 C ATOM 1682 O ILE A 109 7.530 1.608 -5.373 1.00 0.00 O ATOM 1683 CB ILE A 109 7.911 -1.250 -3.996 1.00 0.00 C ATOM 1684 CG1 ILE A 109 6.926 -2.330 -4.505 1.00 0.00 C ATOM 1685 CG2 ILE A 109 7.227 -0.300 -2.982 1.00 0.00 C ATOM 1686 CD1 ILE A 109 6.442 -3.302 -3.414 1.00 0.00 C ATOM 0 H ILE A 109 9.906 1.144 -4.541 1.00 0.00 H new ATOM 0 HA ILE A 109 8.924 -1.319 -5.822 1.00 0.00 H new ATOM 0 HB ILE A 109 8.693 -1.785 -3.456 1.00 0.00 H new ATOM 0 HG12 ILE A 109 6.060 -1.837 -4.948 1.00 0.00 H new ATOM 0 HG13 ILE A 109 7.408 -2.902 -5.298 1.00 0.00 H new ATOM 0 HG21 ILE A 109 6.695 -0.888 -2.234 1.00 0.00 H new ATOM 0 HG22 ILE A 109 7.983 0.313 -2.491 1.00 0.00 H new ATOM 0 HG23 ILE A 109 6.521 0.344 -3.506 1.00 0.00 H new ATOM 0 HD11 ILE A 109 5.756 -4.027 -3.851 1.00 0.00 H new ATOM 0 HD12 ILE A 109 7.298 -3.824 -2.986 1.00 0.00 H new ATOM 0 HD13 ILE A 109 5.929 -2.744 -2.631 1.00 0.00 H new ATOM 1698 N THR A 110 7.768 0.384 -7.263 1.00 0.00 N ATOM 1699 CA THR A 110 7.095 1.361 -8.163 1.00 0.00 C ATOM 1700 C THR A 110 5.629 0.885 -8.391 1.00 0.00 C ATOM 1701 O THR A 110 5.321 0.172 -9.351 1.00 0.00 O ATOM 1702 CB THR A 110 7.927 1.533 -9.467 1.00 0.00 C ATOM 1703 OG1 THR A 110 9.262 1.924 -9.161 1.00 0.00 O ATOM 1704 CG2 THR A 110 7.375 2.577 -10.452 1.00 0.00 C ATOM 0 H THR A 110 8.087 -0.458 -7.742 1.00 0.00 H new ATOM 0 HA THR A 110 7.042 2.355 -7.719 1.00 0.00 H new ATOM 0 HB THR A 110 7.876 0.555 -9.945 1.00 0.00 H new ATOM 0 HG1 THR A 110 9.772 2.026 -9.992 1.00 0.00 H new ATOM 0 HG21 THR A 110 8.020 2.627 -11.329 1.00 0.00 H new ATOM 0 HG22 THR A 110 6.368 2.292 -10.758 1.00 0.00 H new ATOM 0 HG23 THR A 110 7.345 3.553 -9.968 1.00 0.00 H new ATOM 1712 N ASN A 111 4.725 1.300 -7.488 1.00 0.00 N ATOM 1713 CA ASN A 111 3.301 0.875 -7.509 1.00 0.00 C ATOM 1714 C ASN A 111 2.488 1.841 -8.409 1.00 0.00 C ATOM 1715 O ASN A 111 2.238 2.992 -8.039 1.00 0.00 O ATOM 1716 CB ASN A 111 2.782 0.778 -6.052 1.00 0.00 C ATOM 1717 CG ASN A 111 1.336 0.256 -5.908 1.00 0.00 C ATOM 1718 OD1 ASN A 111 0.948 -0.759 -6.486 1.00 0.00 O ATOM 1719 ND2 ASN A 111 0.515 0.950 -5.142 1.00 0.00 N ATOM 0 H ASN A 111 4.951 1.936 -6.724 1.00 0.00 H new ATOM 0 HA ASN A 111 3.185 -0.116 -7.947 1.00 0.00 H new ATOM 0 HB2 ASN A 111 3.447 0.123 -5.488 1.00 0.00 H new ATOM 0 HB3 ASN A 111 2.843 1.765 -5.594 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -0.452 0.647 -5.024 1.00 0.00 H new ATOM 0 HD22 ASN A 111 0.847 1.790 -4.668 1.00 0.00 H new ATOM 1726 N THR A 112 2.109 1.342 -9.596 1.00 0.00 N ATOM 1727 CA THR A 112 1.559 2.181 -10.692 1.00 0.00 C ATOM 1728 C THR A 112 0.037 1.868 -10.799 1.00 0.00 C ATOM 1729 O THR A 112 -0.373 0.873 -11.405 1.00 0.00 O ATOM 1730 CB THR A 112 2.362 1.928 -12.003 1.00 0.00 C ATOM 1731 OG1 THR A 112 3.768 2.014 -11.772 1.00 0.00 O ATOM 1732 CG2 THR A 112 2.050 2.938 -13.118 1.00 0.00 C ATOM 0 H THR A 112 2.172 0.351 -9.830 1.00 0.00 H new ATOM 0 HA THR A 112 1.664 3.248 -10.494 1.00 0.00 H new ATOM 0 HB THR A 112 2.060 0.929 -12.318 1.00 0.00 H new ATOM 0 HG1 THR A 112 4.214 1.242 -12.178 1.00 0.00 H new ATOM 0 HG21 THR A 112 2.645 2.701 -14.000 1.00 0.00 H new ATOM 0 HG22 THR A 112 0.991 2.886 -13.370 1.00 0.00 H new ATOM 0 HG23 THR A 112 2.293 3.944 -12.776 1.00 0.00 H new ATOM 1740 N MET A 113 -0.781 2.734 -10.174 1.00 0.00 N ATOM 1741 CA MET A 113 -2.247 2.522 -10.019 1.00 0.00 C ATOM 1742 C MET A 113 -2.974 3.356 -11.108 1.00 0.00 C ATOM 1743 O MET A 113 -3.213 4.558 -10.948 1.00 0.00 O ATOM 1744 CB MET A 113 -2.701 2.880 -8.575 1.00 0.00 C ATOM 1745 CG MET A 113 -2.085 2.024 -7.450 1.00 0.00 C ATOM 1746 SD MET A 113 -2.555 2.668 -5.827 1.00 0.00 S ATOM 1747 CE MET A 113 -4.166 1.905 -5.562 1.00 0.00 C ATOM 0 H MET A 113 -0.451 3.605 -9.758 1.00 0.00 H new ATOM 0 HA MET A 113 -2.506 1.473 -10.161 1.00 0.00 H new ATOM 0 HB2 MET A 113 -2.458 3.926 -8.386 1.00 0.00 H new ATOM 0 HB3 MET A 113 -3.786 2.791 -8.522 1.00 0.00 H new ATOM 0 HG2 MET A 113 -2.419 0.991 -7.548 1.00 0.00 H new ATOM 0 HG3 MET A 113 -0.999 2.018 -7.544 1.00 0.00 H new ATOM 0 HE1 MET A 113 -4.564 2.221 -4.598 1.00 0.00 H new ATOM 0 HE2 MET A 113 -4.849 2.212 -6.354 1.00 0.00 H new ATOM 0 HE3 MET A 113 -4.061 0.820 -5.574 1.00 0.00 H new ATOM 1757 N THR A 114 -3.275 2.695 -12.240 1.00 0.00 N ATOM 1758 CA THR A 114 -3.722 3.370 -13.486 1.00 0.00 C ATOM 1759 C THR A 114 -5.270 3.321 -13.580 1.00 0.00 C ATOM 1760 O THR A 114 -5.851 2.248 -13.773 1.00 0.00 O ATOM 1761 CB THR A 114 -3.057 2.762 -14.762 1.00 0.00 C ATOM 1762 OG1 THR A 114 -3.297 1.363 -14.868 1.00 0.00 O ATOM 1763 CG2 THR A 114 -1.543 2.976 -14.868 1.00 0.00 C ATOM 0 H THR A 114 -3.218 1.680 -12.324 1.00 0.00 H new ATOM 0 HA THR A 114 -3.400 4.410 -13.440 1.00 0.00 H new ATOM 0 HB THR A 114 -3.532 3.310 -15.575 1.00 0.00 H new ATOM 0 HG1 THR A 114 -2.868 1.018 -15.678 1.00 0.00 H new ATOM 0 HG21 THR A 114 -1.174 2.519 -15.786 1.00 0.00 H new ATOM 0 HG22 THR A 114 -1.327 4.044 -14.882 1.00 0.00 H new ATOM 0 HG23 THR A 114 -1.050 2.518 -14.011 1.00 0.00 H new ATOM 1771 N LEU A 115 -5.918 4.495 -13.464 1.00 0.00 N ATOM 1772 CA LEU A 115 -7.387 4.626 -13.652 1.00 0.00 C ATOM 1773 C LEU A 115 -7.653 5.459 -14.938 1.00 0.00 C ATOM 1774 O LEU A 115 -7.833 6.680 -14.874 1.00 0.00 O ATOM 1775 CB LEU A 115 -8.003 5.221 -12.351 1.00 0.00 C ATOM 1776 CG LEU A 115 -9.550 5.391 -12.324 1.00 0.00 C ATOM 1777 CD1 LEU A 115 -10.311 4.055 -12.413 1.00 0.00 C ATOM 1778 CD2 LEU A 115 -9.982 6.160 -11.063 1.00 0.00 C ATOM 0 H LEU A 115 -5.451 5.374 -13.240 1.00 0.00 H new ATOM 0 HA LEU A 115 -7.876 3.664 -13.808 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -7.716 4.582 -11.516 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -7.550 6.197 -12.176 1.00 0.00 H new ATOM 0 HG LEU A 115 -9.812 5.962 -13.215 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -11.384 4.245 -12.389 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -10.053 3.550 -13.344 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -10.036 3.423 -11.569 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -11.066 6.271 -11.058 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -9.670 5.609 -10.176 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -9.516 7.146 -11.060 1.00 0.00 H new ATOM 1790 N GLY A 116 -7.684 4.781 -16.103 1.00 0.00 N ATOM 1791 CA GLY A 116 -8.027 5.419 -17.395 1.00 0.00 C ATOM 1792 C GLY A 116 -6.884 6.271 -17.988 1.00 0.00 C ATOM 1793 O GLY A 116 -5.903 5.734 -18.509 1.00 0.00 O ATOM 0 H GLY A 116 -7.475 3.786 -16.178 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -8.301 4.644 -18.112 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -8.905 6.050 -17.257 1.00 0.00 H new ATOM 1797 N ASP A 117 -7.034 7.598 -17.864 1.00 0.00 N ATOM 1798 CA ASP A 117 -5.946 8.582 -18.161 1.00 0.00 C ATOM 1799 C ASP A 117 -4.978 8.865 -16.964 1.00 0.00 C ATOM 1800 O ASP A 117 -3.833 9.264 -17.202 1.00 0.00 O ATOM 1801 CB ASP A 117 -6.564 9.914 -18.670 1.00 0.00 C ATOM 1802 CG ASP A 117 -7.203 9.844 -20.067 1.00 0.00 C ATOM 1803 OD1 ASP A 117 -6.480 10.030 -21.071 1.00 0.00 O ATOM 1804 OD2 ASP A 117 -8.426 9.600 -20.162 1.00 0.00 O ATOM 0 H ASP A 117 -7.904 8.033 -17.557 1.00 0.00 H new ATOM 0 HA ASP A 117 -5.331 8.120 -18.933 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -7.321 10.241 -17.957 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -5.786 10.677 -18.681 1.00 0.00 H new ATOM 1809 N ILE A 118 -5.415 8.657 -15.702 1.00 0.00 N ATOM 1810 CA ILE A 118 -4.583 8.803 -14.477 1.00 0.00 C ATOM 1811 C ILE A 118 -3.483 7.688 -14.449 1.00 0.00 C ATOM 1812 O ILE A 118 -3.760 6.520 -14.742 1.00 0.00 O ATOM 1813 CB ILE A 118 -5.510 8.724 -13.207 1.00 0.00 C ATOM 1814 CG1 ILE A 118 -6.780 9.636 -13.179 1.00 0.00 C ATOM 1815 CG2 ILE A 118 -4.725 8.904 -11.884 1.00 0.00 C ATOM 1816 CD1 ILE A 118 -6.556 11.155 -13.127 1.00 0.00 C ATOM 0 H ILE A 118 -6.374 8.377 -15.498 1.00 0.00 H new ATOM 0 HA ILE A 118 -4.081 9.771 -14.478 1.00 0.00 H new ATOM 0 HB ILE A 118 -5.894 7.708 -13.296 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -7.375 9.413 -14.065 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -7.379 9.354 -12.313 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -5.413 8.841 -11.041 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -3.973 8.120 -11.798 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -4.236 9.878 -11.881 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -7.519 11.665 -13.112 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -5.997 11.410 -12.227 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -5.993 11.470 -14.005 1.00 0.00 H new ATOM 1828 N VAL A 119 -2.250 8.072 -14.074 1.00 0.00 N ATOM 1829 CA VAL A 119 -1.131 7.114 -13.848 1.00 0.00 C ATOM 1830 C VAL A 119 -0.525 7.510 -12.468 1.00 0.00 C ATOM 1831 O VAL A 119 0.342 8.388 -12.404 1.00 0.00 O ATOM 1832 CB VAL A 119 -0.100 7.120 -15.035 1.00 0.00 C ATOM 1833 CG1 VAL A 119 1.096 6.165 -14.806 1.00 0.00 C ATOM 1834 CG2 VAL A 119 -0.723 6.768 -16.409 1.00 0.00 C ATOM 0 H VAL A 119 -1.993 9.047 -13.917 1.00 0.00 H new ATOM 0 HA VAL A 119 -1.469 6.078 -13.824 1.00 0.00 H new ATOM 0 HB VAL A 119 0.247 8.153 -15.055 1.00 0.00 H new ATOM 0 HG11 VAL A 119 1.771 6.215 -15.661 1.00 0.00 H new ATOM 0 HG12 VAL A 119 1.631 6.461 -13.904 1.00 0.00 H new ATOM 0 HG13 VAL A 119 0.730 5.145 -14.692 1.00 0.00 H new ATOM 0 HG21 VAL A 119 0.051 6.793 -17.176 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -1.159 5.770 -16.366 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -1.500 7.493 -16.653 1.00 0.00 H new ATOM 1844 N PHE A 120 -0.980 6.856 -11.375 1.00 0.00 N ATOM 1845 CA PHE A 120 -0.494 7.157 -9.999 1.00 0.00 C ATOM 1846 C PHE A 120 0.746 6.294 -9.655 1.00 0.00 C ATOM 1847 O PHE A 120 0.620 5.168 -9.169 1.00 0.00 O ATOM 1848 CB PHE A 120 -1.642 7.014 -8.961 1.00 0.00 C ATOM 1849 CG PHE A 120 -1.317 7.268 -7.464 1.00 0.00 C ATOM 1850 CD1 PHE A 120 -0.416 8.262 -7.058 1.00 0.00 C ATOM 1851 CD2 PHE A 120 -1.943 6.487 -6.484 1.00 0.00 C ATOM 1852 CE1 PHE A 120 -0.155 8.478 -5.711 1.00 0.00 C ATOM 1853 CE2 PHE A 120 -1.681 6.706 -5.133 1.00 0.00 C ATOM 1854 CZ PHE A 120 -0.800 7.714 -4.749 1.00 0.00 C ATOM 0 H PHE A 120 -1.682 6.117 -11.414 1.00 0.00 H new ATOM 0 HA PHE A 120 -0.171 8.197 -9.958 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -2.438 7.700 -9.249 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -2.044 6.005 -9.047 1.00 0.00 H new ATOM 0 HD1 PHE A 120 0.081 8.867 -7.802 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -2.633 5.710 -6.777 1.00 0.00 H new ATOM 0 HE1 PHE A 120 0.550 9.240 -5.413 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -2.161 6.094 -4.384 1.00 0.00 H new ATOM 0 HZ PHE A 120 -0.619 7.901 -3.701 1.00 0.00 H new ATOM 1864 N LYS A 121 1.939 6.870 -9.870 1.00 0.00 N ATOM 1865 CA LYS A 121 3.226 6.171 -9.629 1.00 0.00 C ATOM 1866 C LYS A 121 3.781 6.568 -8.229 1.00 0.00 C ATOM 1867 O LYS A 121 4.254 7.688 -8.020 1.00 0.00 O ATOM 1868 CB LYS A 121 4.181 6.479 -10.811 1.00 0.00 C ATOM 1869 CG LYS A 121 5.444 5.593 -10.854 1.00 0.00 C ATOM 1870 CD LYS A 121 6.420 5.920 -12.004 1.00 0.00 C ATOM 1871 CE LYS A 121 5.936 5.475 -13.398 1.00 0.00 C ATOM 1872 NZ LYS A 121 6.917 5.820 -14.444 1.00 0.00 N ATOM 0 H LYS A 121 2.047 7.825 -10.213 1.00 0.00 H new ATOM 0 HA LYS A 121 3.103 5.088 -9.599 1.00 0.00 H new ATOM 0 HB2 LYS A 121 3.634 6.357 -11.746 1.00 0.00 H new ATOM 0 HB3 LYS A 121 4.486 7.524 -10.754 1.00 0.00 H new ATOM 0 HG2 LYS A 121 5.974 5.692 -9.906 1.00 0.00 H new ATOM 0 HG3 LYS A 121 5.138 4.551 -10.940 1.00 0.00 H new ATOM 0 HD2 LYS A 121 6.595 6.996 -12.020 1.00 0.00 H new ATOM 0 HD3 LYS A 121 7.378 5.444 -11.797 1.00 0.00 H new ATOM 0 HE2 LYS A 121 5.765 4.399 -13.399 1.00 0.00 H new ATOM 0 HE3 LYS A 121 4.981 5.950 -13.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 6.562 5.507 -15.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 7.061 6.850 -14.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 7.821 5.346 -14.242 1.00 0.00 H new ATOM 1886 N ARG A 122 3.723 5.606 -7.292 1.00 0.00 N ATOM 1887 CA ARG A 122 4.354 5.714 -5.951 1.00 0.00 C ATOM 1888 C ARG A 122 5.759 5.065 -6.012 1.00 0.00 C ATOM 1889 O ARG A 122 5.876 3.866 -6.274 1.00 0.00 O ATOM 1890 CB ARG A 122 3.501 4.972 -4.885 1.00 0.00 C ATOM 1891 CG ARG A 122 2.305 5.763 -4.316 1.00 0.00 C ATOM 1892 CD ARG A 122 1.597 4.986 -3.188 1.00 0.00 C ATOM 1893 NE ARG A 122 0.664 5.845 -2.423 1.00 0.00 N ATOM 1894 CZ ARG A 122 -0.157 5.404 -1.452 1.00 0.00 C ATOM 1895 NH1 ARG A 122 -0.211 4.139 -1.042 1.00 0.00 N ATOM 1896 NH2 ARG A 122 -0.955 6.280 -0.870 1.00 0.00 N ATOM 0 H ARG A 122 3.235 4.722 -7.438 1.00 0.00 H new ATOM 0 HA ARG A 122 4.426 6.766 -5.673 1.00 0.00 H new ATOM 0 HB2 ARG A 122 3.126 4.048 -5.326 1.00 0.00 H new ATOM 0 HB3 ARG A 122 4.152 4.689 -4.058 1.00 0.00 H new ATOM 0 HG2 ARG A 122 2.651 6.724 -3.935 1.00 0.00 H new ATOM 0 HG3 ARG A 122 1.594 5.974 -5.115 1.00 0.00 H new ATOM 0 HD2 ARG A 122 1.049 4.146 -3.615 1.00 0.00 H new ATOM 0 HD3 ARG A 122 2.343 4.569 -2.512 1.00 0.00 H new ATOM 0 HE ARG A 122 0.642 6.840 -2.648 1.00 0.00 H new ATOM 0 HH11 ARG A 122 0.394 3.438 -1.470 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -0.857 3.871 -0.300 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -0.937 7.258 -1.160 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -1.590 5.979 -0.130 1.00 0.00 H new ATOM 1910 N ILE A 123 6.806 5.854 -5.724 1.00 0.00 N ATOM 1911 CA ILE A 123 8.205 5.352 -5.636 1.00 0.00 C ATOM 1912 C ILE A 123 8.509 5.328 -4.111 1.00 0.00 C ATOM 1913 O ILE A 123 8.815 6.369 -3.518 1.00 0.00 O ATOM 1914 CB ILE A 123 9.219 6.209 -6.478 1.00 0.00 C ATOM 1915 CG1 ILE A 123 8.894 6.305 -8.005 1.00 0.00 C ATOM 1916 CG2 ILE A 123 10.665 5.664 -6.331 1.00 0.00 C ATOM 1917 CD1 ILE A 123 7.911 7.413 -8.421 1.00 0.00 C ATOM 0 H ILE A 123 6.718 6.854 -5.545 1.00 0.00 H new ATOM 0 HA ILE A 123 8.318 4.362 -6.077 1.00 0.00 H new ATOM 0 HB ILE A 123 9.124 7.212 -6.062 1.00 0.00 H new ATOM 0 HG12 ILE A 123 9.829 6.455 -8.546 1.00 0.00 H new ATOM 0 HG13 ILE A 123 8.488 5.347 -8.330 1.00 0.00 H new ATOM 0 HG21 ILE A 123 11.346 6.275 -6.923 1.00 0.00 H new ATOM 0 HG22 ILE A 123 10.963 5.701 -5.283 1.00 0.00 H new ATOM 0 HG23 ILE A 123 10.703 4.633 -6.683 1.00 0.00 H new ATOM 0 HD11 ILE A 123 7.763 7.382 -9.500 1.00 0.00 H new ATOM 0 HD12 ILE A 123 6.956 7.259 -7.919 1.00 0.00 H new ATOM 0 HD13 ILE A 123 8.317 8.384 -8.138 1.00 0.00 H new ATOM 1929 N SER A 124 8.400 4.136 -3.499 1.00 0.00 N ATOM 1930 CA SER A 124 8.556 3.959 -2.034 1.00 0.00 C ATOM 1931 C SER A 124 9.817 3.099 -1.767 1.00 0.00 C ATOM 1932 O SER A 124 9.884 1.934 -2.168 1.00 0.00 O ATOM 1933 CB SER A 124 7.281 3.316 -1.440 1.00 0.00 C ATOM 1934 OG SER A 124 6.128 4.122 -1.643 1.00 0.00 O ATOM 0 H SER A 124 8.202 3.269 -3.998 1.00 0.00 H new ATOM 0 HA SER A 124 8.687 4.924 -1.545 1.00 0.00 H new ATOM 0 HB2 SER A 124 7.123 2.338 -1.895 1.00 0.00 H new ATOM 0 HB3 SER A 124 7.423 3.151 -0.372 1.00 0.00 H new ATOM 0 HG SER A 124 5.346 3.678 -1.254 1.00 0.00 H new ATOM 1940 N LYS A 125 10.831 3.690 -1.111 1.00 0.00 N ATOM 1941 CA LYS A 125 12.168 3.068 -0.970 1.00 0.00 C ATOM 1942 C LYS A 125 12.251 2.165 0.289 1.00 0.00 C ATOM 1943 O LYS A 125 11.744 2.511 1.361 1.00 0.00 O ATOM 1944 CB LYS A 125 13.228 4.198 -0.999 1.00 0.00 C ATOM 1945 CG LYS A 125 14.683 3.689 -1.066 1.00 0.00 C ATOM 1946 CD LYS A 125 15.701 4.752 -1.524 1.00 0.00 C ATOM 1947 CE LYS A 125 17.098 4.188 -1.848 1.00 0.00 C ATOM 1948 NZ LYS A 125 17.851 3.782 -0.647 1.00 0.00 N ATOM 0 H LYS A 125 10.753 4.604 -0.666 1.00 0.00 H new ATOM 0 HA LYS A 125 12.365 2.392 -1.802 1.00 0.00 H new ATOM 0 HB2 LYS A 125 13.038 4.839 -1.860 1.00 0.00 H new ATOM 0 HB3 LYS A 125 13.110 4.816 -0.109 1.00 0.00 H new ATOM 0 HG2 LYS A 125 14.974 3.323 -0.081 1.00 0.00 H new ATOM 0 HG3 LYS A 125 14.729 2.840 -1.748 1.00 0.00 H new ATOM 0 HD2 LYS A 125 15.311 5.256 -2.408 1.00 0.00 H new ATOM 0 HD3 LYS A 125 15.798 5.507 -0.744 1.00 0.00 H new ATOM 0 HE2 LYS A 125 16.992 3.329 -2.510 1.00 0.00 H new ATOM 0 HE3 LYS A 125 17.670 4.940 -2.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 18.781 3.411 -0.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 17.981 4.605 -0.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 17.323 3.043 -0.140 1.00 0.00 H new ATOM 1962 N ARG A 126 12.938 1.015 0.132 1.00 0.00 N ATOM 1963 CA ARG A 126 13.076 -0.011 1.192 1.00 0.00 C ATOM 1964 C ARG A 126 13.863 0.507 2.436 1.00 0.00 C ATOM 1965 O ARG A 126 15.024 0.913 2.329 1.00 0.00 O ATOM 1966 CB ARG A 126 13.744 -1.262 0.561 1.00 0.00 C ATOM 1967 CG ARG A 126 13.531 -2.561 1.372 1.00 0.00 C ATOM 1968 CD ARG A 126 14.410 -3.751 0.938 1.00 0.00 C ATOM 1969 NE ARG A 126 14.106 -4.262 -0.424 1.00 0.00 N ATOM 1970 CZ ARG A 126 13.401 -5.378 -0.696 1.00 0.00 C ATOM 1971 NH1 ARG A 126 12.803 -6.128 0.226 1.00 0.00 N ATOM 1972 NH2 ARG A 126 13.297 -5.749 -1.957 1.00 0.00 N ATOM 0 H ARG A 126 13.415 0.769 -0.735 1.00 0.00 H new ATOM 0 HA ARG A 126 12.088 -0.268 1.573 1.00 0.00 H new ATOM 0 HB2 ARG A 126 13.349 -1.404 -0.445 1.00 0.00 H new ATOM 0 HB3 ARG A 126 14.814 -1.079 0.461 1.00 0.00 H new ATOM 0 HG2 ARG A 126 13.724 -2.351 2.424 1.00 0.00 H new ATOM 0 HG3 ARG A 126 12.484 -2.854 1.292 1.00 0.00 H new ATOM 0 HD2 ARG A 126 15.457 -3.449 0.976 1.00 0.00 H new ATOM 0 HD3 ARG A 126 14.285 -4.562 1.655 1.00 0.00 H new ATOM 0 HE ARG A 126 14.459 -3.725 -1.216 1.00 0.00 H new ATOM 0 HH11 ARG A 126 12.863 -5.869 1.211 1.00 0.00 H new ATOM 0 HH12 ARG A 126 12.285 -6.961 -0.052 1.00 0.00 H new ATOM 0 HH21 ARG A 126 13.743 -5.197 -2.690 1.00 0.00 H new ATOM 0 HH22 ARG A 126 12.771 -6.588 -2.200 1.00 0.00 H new ATOM 1986 N ILE A 127 13.189 0.493 3.599 1.00 0.00 N ATOM 1987 CA ILE A 127 13.742 0.983 4.887 1.00 0.00 C ATOM 1988 C ILE A 127 13.754 -0.227 5.832 1.00 0.00 C ATOM 1989 O ILE A 127 14.483 -0.252 6.824 1.00 0.00 O ATOM 1990 CB ILE A 127 12.970 2.216 5.476 1.00 0.00 C ATOM 1991 CG1 ILE A 127 11.439 2.004 5.694 1.00 0.00 C ATOM 1992 CG2 ILE A 127 13.247 3.494 4.646 1.00 0.00 C ATOM 1993 CD1 ILE A 127 10.778 2.972 6.686 1.00 0.00 C ATOM 0 H ILE A 127 12.236 0.139 3.679 1.00 0.00 H new ATOM 0 HA ILE A 127 14.749 1.374 4.742 1.00 0.00 H new ATOM 0 HB ILE A 127 13.374 2.341 6.481 1.00 0.00 H new ATOM 0 HG12 ILE A 127 10.935 2.096 4.732 1.00 0.00 H new ATOM 0 HG13 ILE A 127 11.276 0.984 6.043 1.00 0.00 H new ATOM 0 HG21 ILE A 127 12.700 4.333 5.076 1.00 0.00 H new ATOM 0 HG22 ILE A 127 14.315 3.712 4.659 1.00 0.00 H new ATOM 0 HG23 ILE A 127 12.922 3.338 3.618 1.00 0.00 H new ATOM 0 HD11 ILE A 127 9.716 2.741 6.766 1.00 0.00 H new ATOM 0 HD12 ILE A 127 11.247 2.867 7.664 1.00 0.00 H new ATOM 0 HD13 ILE A 127 10.901 3.996 6.332 1.00 0.00 H new TER 2005 ILE A 127