USER MOD reduce.3.24.130724 H: found=0, std=0, add=1032, rem=0, adj=45 USER MOD reduce.3.24.130724 removed 1032 hydrogens (43 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 99 HIS : +bothHN:sc= 0.82 K(o=1.4,f=-20!) USER MOD Set 1.2: A 112 SER OG : rot 123:sc= 1.02 USER MOD Set 1.3: A 128 GCH O : rot 180:sc= -0.451 USER MOD Set 2.1: A 97 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 128 GCH O1 : rot -160:sc= -0.303 USER MOD Set 3.1: A 93 ASN : amide:sc= 0.752 K(o=2.6,f=-4.1!) USER MOD Set 3.2: A 98 HIS : no HE2:sc= 1.07 K(o=2.6,f=-6.8!) USER MOD Set 3.3: A 100 THR OG1 : rot 55:sc= 0.817 USER MOD Set 4.1: A 46 ASN : amide:sc= 0.834 K(o=2.1,f=-3.6!) USER MOD Set 4.2: A 64 THR OG1 : rot -62:sc= 1.25 USER MOD Set 5.1: A 38 SER OG : rot -38:sc= 0.963 USER MOD Set 5.2: A 51 GLN : amide:sc= 0.968 K(o=1.9,f=-8!) USER MOD Set 6.1: A 5 LYS NZ :NH3+ -179:sc= 0.328! (180deg=-0.195!) USER MOD Set 6.2: A 50 SER OG : rot 26:sc= 1.55 USER MOD Set 6.3: A 52 GLN : amide:sc= 1.37 K(o=3.2,f=-9.9!) USER MOD Set 7.1: A 41 LYS NZ :NH3+ 168:sc= 0.605 (180deg=0.178) USER MOD Set 7.2: A 48 THR OG1 : rot 53:sc= 1.15 USER MOD Set 8.1: A 6 TYR OH : rot 25:sc= 1.33 USER MOD Set 8.2: A 125 LYS NZ :NH3+ -148:sc= 3.49 (180deg=2.25) USER MOD Set 9.1: A 1 ALA N :NH3+ 169:sc= -0.112 (180deg=-0.404) USER MOD Set 9.2: A 42 GLN : amide:sc= 0.116 K(o=0.0041,f=-7.3!) USER MOD Single : A 3 THR OG1 : rot 39:sc= 1.14 USER MOD Single : A 10 SER OG : rot 45:sc= 1.28 USER MOD Single : A 12 LYS NZ :NH3+ 147:sc= 0.688 (180deg=0.285) USER MOD Single : A 13 ASN : amide:sc= 0.586 K(o=0.59,f=-1.4!) USER MOD Single : A 14 TYR OH : rot -170:sc= 0.241 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 160:sc= 1.64 (180deg=1.38) USER MOD Single : A 25 SER OG : rot -94:sc= 1.3 USER MOD Single : A 30 LYS NZ :NH3+ 142:sc= 1.39 (180deg=-2.07!) USER MOD Single : A 33 ASN : amide:sc= -0.0361 X(o=-0.036,f=-0.036) USER MOD Single : A 35 LYS NZ :NH3+ -175:sc= 1.67 (180deg=1.53) USER MOD Single : A 45 GLN : amide:sc= 0.739 K(o=0.74,f=-0.61) USER MOD Single : A 53 TYR OH : rot -160:sc= 1.3 USER MOD Single : A 57 HIS : +bothHN:sc= 0.805 K(o=0.81,f=-12!) USER MOD Single : A 58 SER OG : rot 23:sc= 0.916 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= 0.179 K(o=0.18,f=-0.55) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ -147:sc= 0.254 (180deg=-0.696!) USER MOD Single : A 69 CYS SG : rot 170:sc= 0 USER MOD Single : A 73 THR OG1 : rot -69:sc= 1.2 USER MOD Single : A 77 LYS NZ :NH3+ -169:sc= 3.33 (180deg=2.89) USER MOD Single : A 78 LYS NZ :NH3+ 152:sc= 1.58 (180deg=-0.202!) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 1.46 (180deg=1.46) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ -143:sc= 1.45 (180deg=-1.52!) USER MOD Single : A 94 SER OG : rot 180:sc= -0.374 USER MOD Single : A 96 ASN : amide:sc= 0.285 X(o=0.28,f=-0.0036) USER MOD Single : A 107 LYS NZ :NH3+ 179:sc= 0.716 (180deg=0.601) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 119 TYR OH : rot 17:sc= 1.15 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 124 LYS NZ :NH3+ 169:sc= 1.53 (180deg=1.19) USER MOD Single : A 128 GCH O3 : rot 150:sc= -0.022 USER MOD Single : A 128 GCH O4 : rot 169:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 12.355 -11.241 -4.947 1.00 0.00 N ATOM 2 CA ALA A 1 13.186 -10.124 -4.438 1.00 1.00 C ATOM 3 C ALA A 1 12.355 -8.821 -4.360 1.00 1.00 C ATOM 4 O ALA A 1 12.848 -7.693 -4.286 1.00 1.00 O ATOM 5 CB ALA A 1 14.417 -9.923 -5.310 1.00 1.00 C ATOM 0 H1 ALA A 1 12.964 -12.054 -5.169 1.00 0.00 H new ATOM 0 H2 ALA A 1 11.662 -11.516 -4.222 1.00 0.00 H new ATOM 0 H3 ALA A 1 11.855 -10.938 -5.807 1.00 0.00 H new ATOM 0 HA ALA A 1 13.521 -10.380 -3.433 1.00 1.00 H new ATOM 0 HB1 ALA A 1 15.011 -9.098 -4.916 1.00 1.00 H new ATOM 0 HB2 ALA A 1 15.016 -10.834 -5.310 1.00 1.00 H new ATOM 0 HB3 ALA A 1 14.107 -9.693 -6.329 1.00 1.00 H new ATOM 12 N PHE A 2 10.999 -9.044 -4.294 1.00 1.00 N ATOM 13 CA PHE A 2 10.020 -7.975 -4.157 1.00 1.00 C ATOM 14 C PHE A 2 9.945 -7.450 -2.717 1.00 1.00 C ATOM 15 O PHE A 2 9.452 -6.350 -2.473 1.00 1.00 O ATOM 16 CB PHE A 2 8.615 -8.404 -4.604 1.00 1.00 C ATOM 17 CG PHE A 2 8.392 -8.189 -6.083 1.00 1.00 C ATOM 18 CD1 PHE A 2 8.983 -9.041 -7.025 1.00 1.00 C ATOM 19 CD2 PHE A 2 7.595 -7.125 -6.529 1.00 1.00 C ATOM 20 CE1 PHE A 2 8.791 -8.825 -8.390 1.00 1.00 C ATOM 21 CE2 PHE A 2 7.393 -6.922 -7.893 1.00 1.00 C ATOM 22 CZ PHE A 2 7.998 -7.766 -8.821 1.00 1.00 C ATOM 0 H PHE A 2 10.585 -9.975 -4.337 1.00 1.00 H new ATOM 0 HA PHE A 2 10.366 -7.177 -4.814 1.00 1.00 H new ATOM 0 HB2 PHE A 2 8.466 -9.457 -4.366 1.00 1.00 H new ATOM 0 HB3 PHE A 2 7.870 -7.842 -4.041 1.00 1.00 H new ATOM 0 HD1 PHE A 2 9.591 -9.870 -6.693 1.00 1.00 H new ATOM 0 HD2 PHE A 2 7.136 -6.460 -5.813 1.00 1.00 H new ATOM 0 HE1 PHE A 2 9.258 -9.479 -9.112 1.00 1.00 H new ATOM 0 HE2 PHE A 2 6.767 -6.109 -8.231 1.00 1.00 H new ATOM 0 HZ PHE A 2 7.851 -7.598 -9.878 1.00 1.00 H new ATOM 32 N THR A 3 10.383 -8.283 -1.713 1.00 1.00 N ATOM 33 CA THR A 3 10.239 -7.874 -0.311 1.00 1.00 C ATOM 34 C THR A 3 11.290 -6.784 0.044 1.00 1.00 C ATOM 35 O THR A 3 12.314 -6.582 -0.618 1.00 1.00 O ATOM 36 CB THR A 3 10.280 -9.058 0.679 1.00 1.00 C ATOM 37 OG1 THR A 3 10.047 -8.674 2.035 1.00 1.00 O ATOM 38 CG2 THR A 3 11.595 -9.809 0.680 1.00 1.00 C ATOM 0 H THR A 3 10.816 -9.195 -1.859 1.00 1.00 H new ATOM 0 HA THR A 3 9.243 -7.445 -0.204 1.00 1.00 H new ATOM 0 HB THR A 3 9.476 -9.697 0.313 1.00 1.00 H new ATOM 0 HG1 THR A 3 9.351 -7.985 2.065 1.00 1.00 H new ATOM 0 HG21 THR A 3 11.547 -10.626 1.400 1.00 1.00 H new ATOM 0 HG22 THR A 3 11.784 -10.213 -0.315 1.00 1.00 H new ATOM 0 HG23 THR A 3 12.402 -9.130 0.955 1.00 1.00 H new ATOM 46 N GLY A 4 10.986 -6.050 1.162 1.00 1.00 N ATOM 47 CA GLY A 4 11.791 -4.960 1.686 1.00 1.00 C ATOM 48 C GLY A 4 10.911 -3.745 1.998 1.00 1.00 C ATOM 49 O GLY A 4 9.698 -3.740 1.789 1.00 1.00 O ATOM 0 H GLY A 4 10.149 -6.226 1.717 1.00 1.00 H new ATOM 0 HA2 GLY A 4 12.308 -5.284 2.589 1.00 1.00 H new ATOM 0 HA3 GLY A 4 12.557 -4.685 0.961 1.00 1.00 H new ATOM 53 N LYS A 5 11.599 -2.684 2.553 1.00 1.00 N ATOM 54 CA LYS A 5 10.964 -1.378 2.754 1.00 1.00 C ATOM 55 C LYS A 5 11.428 -0.499 1.565 1.00 1.00 C ATOM 56 O LYS A 5 12.615 -0.276 1.310 1.00 1.00 O ATOM 57 CB LYS A 5 11.332 -0.780 4.109 1.00 1.00 C ATOM 58 CG LYS A 5 10.407 0.387 4.500 1.00 1.00 C ATOM 59 CD LYS A 5 10.662 0.796 5.952 1.00 1.00 C ATOM 60 CE LYS A 5 9.740 1.885 6.505 1.00 1.00 C ATOM 61 NZ LYS A 5 8.349 1.441 6.538 1.00 1.00 N ATOM 0 H LYS A 5 12.572 -2.731 2.855 1.00 1.00 H new ATOM 0 HA LYS A 5 9.877 -1.454 2.772 1.00 1.00 H new ATOM 0 HB2 LYS A 5 11.279 -1.556 4.873 1.00 1.00 H new ATOM 0 HB3 LYS A 5 12.364 -0.430 4.082 1.00 1.00 H new ATOM 0 HG2 LYS A 5 10.581 1.236 3.839 1.00 1.00 H new ATOM 0 HG3 LYS A 5 9.365 0.093 4.374 1.00 1.00 H new ATOM 0 HD2 LYS A 5 10.568 -0.089 6.582 1.00 1.00 H new ATOM 0 HD3 LYS A 5 11.693 1.140 6.038 1.00 1.00 H new ATOM 0 HE2 LYS A 5 10.060 2.158 7.510 1.00 1.00 H new ATOM 0 HE3 LYS A 5 9.823 2.781 5.890 1.00 1.00 H new ATOM 0 HZ1 LYS A 5 7.748 2.208 6.902 1.00 1.00 H new ATOM 0 HZ2 LYS A 5 8.043 1.187 5.577 1.00 1.00 H new ATOM 0 HZ3 LYS A 5 8.264 0.611 7.159 1.00 1.00 H new ATOM 75 N TYR A 6 10.409 -0.088 0.741 1.00 1.00 N ATOM 76 CA TYR A 6 10.625 0.782 -0.407 1.00 1.00 C ATOM 77 C TYR A 6 10.294 2.220 -0.015 1.00 1.00 C ATOM 78 O TYR A 6 9.389 2.494 0.775 1.00 1.00 O ATOM 79 CB TYR A 6 9.731 0.448 -1.619 1.00 1.00 C ATOM 80 CG TYR A 6 10.080 -0.868 -2.261 1.00 1.00 C ATOM 81 CD1 TYR A 6 9.844 -2.079 -1.601 1.00 1.00 C ATOM 82 CD2 TYR A 6 10.685 -0.882 -3.521 1.00 1.00 C ATOM 83 CE1 TYR A 6 10.254 -3.279 -2.170 1.00 1.00 C ATOM 84 CE2 TYR A 6 11.103 -2.079 -4.086 1.00 1.00 C ATOM 85 CZ TYR A 6 10.874 -3.264 -3.409 1.00 1.00 C ATOM 86 OH TYR A 6 11.299 -4.436 -3.961 1.00 1.00 O ATOM 0 H TYR A 6 9.435 -0.361 0.874 1.00 1.00 H new ATOM 0 HA TYR A 6 11.667 0.641 -0.693 1.00 1.00 H new ATOM 0 HB2 TYR A 6 8.689 0.426 -1.300 1.00 1.00 H new ATOM 0 HB3 TYR A 6 9.820 1.243 -2.360 1.00 1.00 H new ATOM 0 HD1 TYR A 6 9.341 -2.081 -0.645 1.00 1.00 H new ATOM 0 HD2 TYR A 6 10.828 0.044 -4.058 1.00 1.00 H new ATOM 0 HE1 TYR A 6 10.091 -4.213 -1.652 1.00 1.00 H new ATOM 0 HE2 TYR A 6 11.602 -2.085 -5.044 1.00 1.00 H new ATOM 0 HH TYR A 6 10.769 -5.178 -3.602 1.00 1.00 H new ATOM 96 N GLU A 7 11.027 3.151 -0.708 1.00 1.00 N ATOM 97 CA GLU A 7 10.585 4.534 -0.834 1.00 1.00 C ATOM 98 C GLU A 7 10.124 4.706 -2.297 1.00 1.00 C ATOM 99 O GLU A 7 10.628 4.065 -3.224 1.00 1.00 O ATOM 100 CB GLU A 7 11.736 5.490 -0.527 1.00 1.00 C ATOM 101 CG GLU A 7 11.244 6.737 0.200 1.00 1.00 C ATOM 102 CD GLU A 7 12.426 7.678 0.356 1.00 1.00 C ATOM 103 OE1 GLU A 7 13.255 7.389 1.253 1.00 1.00 O ATOM 104 OE2 GLU A 7 12.449 8.636 -0.478 1.00 1.00 O ATOM 0 H GLU A 7 11.912 2.948 -1.173 1.00 1.00 H new ATOM 0 HA GLU A 7 9.781 4.759 -0.133 1.00 1.00 H new ATOM 0 HB2 GLU A 7 12.481 4.981 0.084 1.00 1.00 H new ATOM 0 HB3 GLU A 7 12.229 5.779 -1.455 1.00 1.00 H new ATOM 0 HG2 GLU A 7 10.444 7.218 -0.364 1.00 1.00 H new ATOM 0 HG3 GLU A 7 10.833 6.474 1.175 1.00 1.00 H new ATOM 111 N ILE A 8 9.173 5.670 -2.507 1.00 1.00 N ATOM 112 CA ILE A 8 8.807 6.119 -3.845 1.00 1.00 C ATOM 113 C ILE A 8 9.955 7.054 -4.285 1.00 1.00 C ATOM 114 O ILE A 8 10.413 7.959 -3.585 1.00 1.00 O ATOM 115 CB ILE A 8 7.409 6.770 -3.898 1.00 1.00 C ATOM 116 CG1 ILE A 8 6.320 5.752 -4.300 1.00 1.00 C ATOM 117 CG2 ILE A 8 7.310 7.959 -4.862 1.00 1.00 C ATOM 118 CD1 ILE A 8 6.162 4.551 -3.385 1.00 1.00 C ATOM 0 H ILE A 8 8.662 6.134 -1.756 1.00 1.00 H new ATOM 0 HA ILE A 8 8.705 5.285 -4.539 1.00 1.00 H new ATOM 0 HB ILE A 8 7.247 7.134 -2.883 1.00 1.00 H new ATOM 0 HG12 ILE A 8 5.364 6.273 -4.351 1.00 1.00 H new ATOM 0 HG13 ILE A 8 6.540 5.392 -5.305 1.00 1.00 H new ATOM 0 HG21 ILE A 8 6.297 8.361 -4.842 1.00 1.00 H new ATOM 0 HG22 ILE A 8 8.014 8.734 -4.558 1.00 1.00 H new ATOM 0 HG23 ILE A 8 7.549 7.629 -5.873 1.00 1.00 H new ATOM 0 HD11 ILE A 8 5.370 3.906 -3.765 1.00 1.00 H new ATOM 0 HD12 ILE A 8 7.098 3.994 -3.350 1.00 1.00 H new ATOM 0 HD13 ILE A 8 5.904 4.890 -2.382 1.00 1.00 H new ATOM 130 N GLU A 9 10.461 6.775 -5.534 1.00 1.00 N ATOM 131 CA GLU A 9 11.490 7.605 -6.152 1.00 1.00 C ATOM 132 C GLU A 9 10.772 8.816 -6.790 1.00 1.00 C ATOM 133 O GLU A 9 11.190 9.964 -6.638 1.00 1.00 O ATOM 134 CB GLU A 9 12.295 6.771 -7.149 1.00 1.00 C ATOM 135 CG GLU A 9 13.675 7.358 -7.423 1.00 1.00 C ATOM 136 CD GLU A 9 14.382 6.425 -8.372 1.00 1.00 C ATOM 137 OE1 GLU A 9 14.117 6.524 -9.608 1.00 1.00 O ATOM 138 OE2 GLU A 9 15.210 5.581 -7.908 1.00 1.00 O ATOM 0 H GLU A 9 10.160 5.985 -6.105 1.00 1.00 H new ATOM 0 HA GLU A 9 12.215 7.978 -5.429 1.00 1.00 H new ATOM 0 HB2 GLU A 9 12.405 5.757 -6.764 1.00 1.00 H new ATOM 0 HB3 GLU A 9 11.743 6.698 -8.086 1.00 1.00 H new ATOM 0 HG2 GLU A 9 13.589 8.354 -7.857 1.00 1.00 H new ATOM 0 HG3 GLU A 9 14.239 7.462 -6.496 1.00 1.00 H new ATOM 145 N SER A 10 9.674 8.524 -7.569 1.00 1.00 N ATOM 146 CA SER A 10 8.739 9.546 -8.067 1.00 1.00 C ATOM 147 C SER A 10 7.511 8.853 -8.699 1.00 1.00 C ATOM 148 O SER A 10 7.583 7.719 -9.182 1.00 1.00 O ATOM 149 CB SER A 10 9.378 10.472 -9.114 1.00 1.00 C ATOM 150 OG SER A 10 10.117 11.532 -8.508 1.00 1.00 O ATOM 0 H SER A 10 9.432 7.576 -7.856 1.00 1.00 H new ATOM 0 HA SER A 10 8.448 10.159 -7.214 1.00 1.00 H new ATOM 0 HB2 SER A 10 10.039 9.891 -9.757 1.00 1.00 H new ATOM 0 HB3 SER A 10 8.599 10.891 -9.752 1.00 1.00 H new ATOM 0 HG SER A 10 10.661 11.174 -7.776 1.00 1.00 H new ATOM 156 N GLU A 11 6.359 9.600 -8.695 1.00 1.00 N ATOM 157 CA GLU A 11 5.134 9.223 -9.405 1.00 1.00 C ATOM 158 C GLU A 11 4.800 10.410 -10.318 1.00 1.00 C ATOM 159 O GLU A 11 5.156 11.553 -10.031 1.00 1.00 O ATOM 160 CB GLU A 11 3.952 8.943 -8.472 1.00 1.00 C ATOM 161 CG GLU A 11 4.312 8.238 -7.167 1.00 1.00 C ATOM 162 CD GLU A 11 3.136 7.595 -6.459 1.00 1.00 C ATOM 163 OE1 GLU A 11 1.998 8.063 -6.724 1.00 1.00 O ATOM 164 OE2 GLU A 11 3.403 6.599 -5.728 1.00 1.00 O ATOM 0 H GLU A 11 6.276 10.482 -8.190 1.00 1.00 H new ATOM 0 HA GLU A 11 5.302 8.295 -9.951 1.00 1.00 H new ATOM 0 HB2 GLU A 11 3.465 9.889 -8.234 1.00 1.00 H new ATOM 0 HB3 GLU A 11 3.223 8.334 -9.007 1.00 1.00 H new ATOM 0 HG2 GLU A 11 5.058 7.472 -7.376 1.00 1.00 H new ATOM 0 HG3 GLU A 11 4.776 8.959 -6.494 1.00 1.00 H new ATOM 171 N LYS A 12 4.081 10.110 -11.456 1.00 1.00 N ATOM 172 CA LYS A 12 3.778 11.176 -12.411 1.00 1.00 C ATOM 173 C LYS A 12 2.345 11.700 -12.191 1.00 1.00 C ATOM 174 O LYS A 12 2.066 12.893 -12.283 1.00 1.00 O ATOM 175 CB LYS A 12 3.933 10.677 -13.856 1.00 1.00 C ATOM 176 CG LYS A 12 3.915 11.831 -14.872 1.00 1.00 C ATOM 177 CD LYS A 12 3.703 11.355 -16.309 1.00 1.00 C ATOM 178 CE LYS A 12 4.921 10.658 -16.895 1.00 1.00 C ATOM 179 NZ LYS A 12 4.536 10.001 -18.154 1.00 1.00 N ATOM 0 H LYS A 12 3.729 9.185 -11.703 1.00 1.00 H new ATOM 0 HA LYS A 12 4.486 11.988 -12.246 1.00 1.00 H new ATOM 0 HB2 LYS A 12 4.869 10.126 -13.950 1.00 1.00 H new ATOM 0 HB3 LYS A 12 3.128 9.979 -14.086 1.00 1.00 H new ATOM 0 HG2 LYS A 12 3.123 12.531 -14.606 1.00 1.00 H new ATOM 0 HG3 LYS A 12 4.856 12.377 -14.811 1.00 1.00 H new ATOM 0 HD2 LYS A 12 2.853 10.673 -16.337 1.00 1.00 H new ATOM 0 HD3 LYS A 12 3.446 12.210 -16.934 1.00 1.00 H new ATOM 0 HE2 LYS A 12 5.718 11.380 -17.075 1.00 1.00 H new ATOM 0 HE3 LYS A 12 5.310 9.923 -16.190 1.00 1.00 H new ATOM 0 HZ1 LYS A 12 5.340 10.017 -18.814 1.00 1.00 H new ATOM 0 HZ2 LYS A 12 4.265 9.015 -17.963 1.00 1.00 H new ATOM 0 HZ3 LYS A 12 3.731 10.505 -18.577 1.00 1.00 H new ATOM 193 N ASN A 13 1.376 10.719 -12.080 1.00 1.00 N ATOM 194 CA ASN A 13 -0.036 11.025 -12.408 1.00 1.00 C ATOM 195 C ASN A 13 -0.971 10.670 -11.237 1.00 1.00 C ATOM 196 O ASN A 13 -2.140 10.318 -11.363 1.00 1.00 O ATOM 197 CB ASN A 13 -0.475 10.309 -13.681 1.00 1.00 C ATOM 198 CG ASN A 13 -1.636 11.024 -14.336 1.00 1.00 C ATOM 199 OD1 ASN A 13 -2.082 12.107 -13.978 1.00 1.00 O ATOM 200 ND2 ASN A 13 -2.154 10.380 -15.421 1.00 1.00 N ATOM 0 H ASN A 13 1.552 9.760 -11.779 1.00 1.00 H new ATOM 0 HA ASN A 13 -0.105 12.099 -12.582 1.00 1.00 H new ATOM 0 HB2 ASN A 13 0.362 10.254 -14.378 1.00 1.00 H new ATOM 0 HB3 ASN A 13 -0.762 9.284 -13.445 1.00 1.00 H new ATOM 0 HD21 ASN A 13 -2.922 10.800 -15.945 1.00 1.00 H new ATOM 0 HD22 ASN A 13 -1.773 9.478 -15.709 1.00 1.00 H new ATOM 207 N TYR A 14 -0.420 10.955 -10.009 1.00 1.00 N ATOM 208 CA TYR A 14 -1.057 10.524 -8.757 1.00 1.00 C ATOM 209 C TYR A 14 -2.402 11.257 -8.577 1.00 1.00 C ATOM 210 O TYR A 14 -3.418 10.693 -8.171 1.00 1.00 O ATOM 211 CB TYR A 14 -0.062 10.786 -7.621 1.00 1.00 C ATOM 212 CG TYR A 14 -0.609 10.987 -6.239 1.00 1.00 C ATOM 213 CD1 TYR A 14 -0.928 9.886 -5.434 1.00 1.00 C ATOM 214 CD2 TYR A 14 -0.745 12.284 -5.722 1.00 1.00 C ATOM 215 CE1 TYR A 14 -1.362 10.080 -4.126 1.00 1.00 C ATOM 216 CE2 TYR A 14 -1.181 12.475 -4.415 1.00 1.00 C ATOM 217 CZ TYR A 14 -1.481 11.371 -3.629 1.00 1.00 C ATOM 218 OH TYR A 14 -1.889 11.524 -2.341 1.00 1.00 O ATOM 0 H TYR A 14 0.449 11.473 -9.882 1.00 1.00 H new ATOM 0 HA TYR A 14 -1.295 9.460 -8.764 1.00 1.00 H new ATOM 0 HB2 TYR A 14 0.634 9.948 -7.586 1.00 1.00 H new ATOM 0 HB3 TYR A 14 0.518 11.671 -7.883 1.00 1.00 H new ATOM 0 HD1 TYR A 14 -0.837 8.885 -5.829 1.00 1.00 H new ATOM 0 HD2 TYR A 14 -0.510 13.137 -6.341 1.00 1.00 H new ATOM 0 HE1 TYR A 14 -1.604 9.232 -3.502 1.00 1.00 H new ATOM 0 HE2 TYR A 14 -1.285 13.473 -4.016 1.00 1.00 H new ATOM 0 HH TYR A 14 -2.082 12.469 -2.169 1.00 1.00 H new ATOM 228 N ASP A 15 -2.392 12.607 -8.870 1.00 1.00 N ATOM 229 CA ASP A 15 -3.505 13.463 -8.438 1.00 1.00 C ATOM 230 C ASP A 15 -4.777 13.022 -9.198 1.00 1.00 C ATOM 231 O ASP A 15 -5.837 12.772 -8.623 1.00 1.00 O ATOM 232 CB ASP A 15 -3.144 14.909 -8.711 1.00 1.00 C ATOM 233 CG ASP A 15 -4.237 15.782 -8.139 1.00 1.00 C ATOM 234 OD1 ASP A 15 -5.257 15.986 -8.850 1.00 1.00 O ATOM 235 OD2 ASP A 15 -4.019 16.269 -6.991 1.00 1.00 O ATOM 0 H ASP A 15 -1.650 13.085 -9.381 1.00 1.00 H new ATOM 0 HA ASP A 15 -3.697 13.367 -7.369 1.00 1.00 H new ATOM 0 HB2 ASP A 15 -2.184 15.154 -8.256 1.00 1.00 H new ATOM 0 HB3 ASP A 15 -3.042 15.080 -9.783 1.00 1.00 H new ATOM 240 N GLU A 16 -4.636 12.948 -10.571 1.00 1.00 N ATOM 241 CA GLU A 16 -5.773 12.616 -11.416 1.00 1.00 C ATOM 242 C GLU A 16 -6.202 11.147 -11.297 1.00 1.00 C ATOM 243 O GLU A 16 -7.326 10.780 -11.650 1.00 1.00 O ATOM 244 CB GLU A 16 -5.520 12.958 -12.893 1.00 1.00 C ATOM 245 CG GLU A 16 -5.859 14.414 -13.226 1.00 1.00 C ATOM 246 CD GLU A 16 -7.339 14.674 -12.983 1.00 1.00 C ATOM 247 OE1 GLU A 16 -8.147 14.042 -13.730 1.00 1.00 O ATOM 248 OE2 GLU A 16 -7.626 15.411 -11.993 1.00 1.00 O ATOM 0 H GLU A 16 -3.763 13.113 -11.072 1.00 1.00 H new ATOM 0 HA GLU A 16 -6.589 13.236 -11.045 1.00 1.00 H new ATOM 0 HB2 GLU A 16 -4.474 12.769 -13.132 1.00 1.00 H new ATOM 0 HB3 GLU A 16 -6.116 12.297 -13.523 1.00 1.00 H new ATOM 0 HG2 GLU A 16 -5.258 15.085 -12.612 1.00 1.00 H new ATOM 0 HG3 GLU A 16 -5.610 14.625 -14.266 1.00 1.00 H new ATOM 255 N PHE A 17 -5.258 10.272 -10.823 1.00 1.00 N ATOM 256 CA PHE A 17 -5.601 8.881 -10.572 1.00 1.00 C ATOM 257 C PHE A 17 -6.541 8.822 -9.358 1.00 1.00 C ATOM 258 O PHE A 17 -7.579 8.157 -9.360 1.00 1.00 O ATOM 259 CB PHE A 17 -4.367 8.026 -10.315 1.00 1.00 C ATOM 260 CG PHE A 17 -4.672 6.562 -10.486 1.00 1.00 C ATOM 261 CD1 PHE A 17 -4.812 6.041 -11.776 1.00 1.00 C ATOM 262 CD2 PHE A 17 -4.801 5.714 -9.380 1.00 1.00 C ATOM 263 CE1 PHE A 17 -5.017 4.684 -11.967 1.00 1.00 C ATOM 264 CE2 PHE A 17 -5.028 4.355 -9.573 1.00 1.00 C ATOM 265 CZ PHE A 17 -5.134 3.846 -10.865 1.00 1.00 C ATOM 0 H PHE A 17 -4.290 10.520 -10.620 1.00 1.00 H new ATOM 0 HA PHE A 17 -6.091 8.479 -11.459 1.00 1.00 H new ATOM 0 HB2 PHE A 17 -3.571 8.317 -11.001 1.00 1.00 H new ATOM 0 HB3 PHE A 17 -4.000 8.208 -9.305 1.00 1.00 H new ATOM 0 HD1 PHE A 17 -4.760 6.701 -12.629 1.00 1.00 H new ATOM 0 HD2 PHE A 17 -4.725 6.113 -8.380 1.00 1.00 H new ATOM 0 HE1 PHE A 17 -5.085 4.280 -12.966 1.00 1.00 H new ATOM 0 HE2 PHE A 17 -5.122 3.696 -8.723 1.00 1.00 H new ATOM 0 HZ PHE A 17 -5.309 2.790 -11.012 1.00 1.00 H new ATOM 275 N MET A 18 -6.146 9.550 -8.256 1.00 1.00 N ATOM 276 CA MET A 18 -6.904 9.479 -7.013 1.00 1.00 C ATOM 277 C MET A 18 -8.317 10.092 -7.210 1.00 1.00 C ATOM 278 O MET A 18 -9.272 9.769 -6.501 1.00 1.00 O ATOM 279 CB MET A 18 -6.193 10.177 -5.858 1.00 1.00 C ATOM 280 CG MET A 18 -4.857 9.545 -5.458 1.00 1.00 C ATOM 281 SD MET A 18 -5.032 7.954 -4.582 1.00 1.00 S ATOM 282 CE MET A 18 -5.038 8.561 -2.876 1.00 1.00 C ATOM 0 H MET A 18 -5.332 10.164 -8.230 1.00 1.00 H new ATOM 0 HA MET A 18 -6.993 8.424 -6.753 1.00 1.00 H new ATOM 0 HB2 MET A 18 -6.020 11.218 -6.131 1.00 1.00 H new ATOM 0 HB3 MET A 18 -6.853 10.180 -4.991 1.00 1.00 H new ATOM 0 HG2 MET A 18 -4.255 9.392 -6.354 1.00 1.00 H new ATOM 0 HG3 MET A 18 -4.311 10.242 -4.822 1.00 1.00 H new ATOM 0 HE1 MET A 18 -5.138 7.719 -2.191 1.00 1.00 H new ATOM 0 HE2 MET A 18 -4.104 9.085 -2.673 1.00 1.00 H new ATOM 0 HE3 MET A 18 -5.875 9.245 -2.736 1.00 1.00 H new ATOM 292 N LYS A 19 -8.446 11.008 -8.242 1.00 1.00 N ATOM 293 CA LYS A 19 -9.754 11.584 -8.576 1.00 1.00 C ATOM 294 C LYS A 19 -10.704 10.443 -9.030 1.00 1.00 C ATOM 295 O LYS A 19 -11.903 10.424 -8.758 1.00 1.00 O ATOM 296 CB LYS A 19 -9.667 12.565 -9.759 1.00 1.00 C ATOM 297 CG LYS A 19 -9.778 14.049 -9.410 1.00 1.00 C ATOM 298 CD LYS A 19 -8.636 14.544 -8.531 1.00 1.00 C ATOM 299 CE LYS A 19 -8.443 16.052 -8.623 1.00 1.00 C ATOM 300 NZ LYS A 19 -7.532 16.383 -9.720 1.00 1.00 N ATOM 0 H LYS A 19 -7.673 11.336 -8.821 1.00 1.00 H new ATOM 0 HA LYS A 19 -10.112 12.106 -7.688 1.00 1.00 H new ATOM 0 HB2 LYS A 19 -8.718 12.403 -10.271 1.00 1.00 H new ATOM 0 HB3 LYS A 19 -10.458 12.319 -10.468 1.00 1.00 H new ATOM 0 HG2 LYS A 19 -9.799 14.632 -10.331 1.00 1.00 H new ATOM 0 HG3 LYS A 19 -10.725 14.226 -8.899 1.00 1.00 H new ATOM 0 HD2 LYS A 19 -8.833 14.268 -7.495 1.00 1.00 H new ATOM 0 HD3 LYS A 19 -7.713 14.044 -8.824 1.00 1.00 H new ATOM 0 HE2 LYS A 19 -9.405 16.539 -8.781 1.00 1.00 H new ATOM 0 HE3 LYS A 19 -8.044 16.432 -7.683 1.00 1.00 H new ATOM 0 HZ1 LYS A 19 -7.665 17.378 -9.993 1.00 1.00 H new ATOM 0 HZ2 LYS A 19 -6.550 16.237 -9.412 1.00 1.00 H new ATOM 0 HZ3 LYS A 19 -7.734 15.770 -10.536 1.00 1.00 H new ATOM 314 N ARG A 20 -10.134 9.510 -9.881 1.00 1.00 N ATOM 315 CA ARG A 20 -10.926 8.408 -10.438 1.00 1.00 C ATOM 316 C ARG A 20 -11.259 7.320 -9.397 1.00 1.00 C ATOM 317 O ARG A 20 -12.072 6.424 -9.619 1.00 1.00 O ATOM 318 CB ARG A 20 -10.222 7.698 -11.601 1.00 1.00 C ATOM 319 CG ARG A 20 -9.736 8.582 -12.744 1.00 1.00 C ATOM 320 CD ARG A 20 -10.800 9.492 -13.330 1.00 1.00 C ATOM 321 NE ARG A 20 -10.260 10.304 -14.427 1.00 1.00 N ATOM 322 CZ ARG A 20 -9.689 11.509 -14.241 1.00 1.00 C ATOM 323 NH1 ARG A 20 -9.351 11.941 -13.037 1.00 1.00 N ATOM 324 NH2 ARG A 20 -9.428 12.306 -15.273 1.00 1.00 N ATOM 0 H ARG A 20 -9.156 9.521 -10.172 1.00 1.00 H new ATOM 0 HA ARG A 20 -11.838 8.894 -10.783 1.00 1.00 H new ATOM 0 HB2 ARG A 20 -9.365 7.156 -11.201 1.00 1.00 H new ATOM 0 HB3 ARG A 20 -10.906 6.955 -12.011 1.00 1.00 H new ATOM 0 HG2 ARG A 20 -8.908 9.195 -12.387 1.00 1.00 H new ATOM 0 HG3 ARG A 20 -9.343 7.946 -13.537 1.00 1.00 H new ATOM 0 HD2 ARG A 20 -11.634 8.892 -13.695 1.00 1.00 H new ATOM 0 HD3 ARG A 20 -11.193 10.145 -12.551 1.00 1.00 H new ATOM 0 HE ARG A 20 -10.320 9.937 -15.377 1.00 1.00 H new ATOM 0 HH11 ARG A 20 -9.522 11.356 -12.219 1.00 1.00 H new ATOM 0 HH12 ARG A 20 -8.920 12.859 -12.927 1.00 1.00 H new ATOM 0 HH21 ARG A 20 -9.661 12.007 -16.220 1.00 1.00 H new ATOM 0 HH22 ARG A 20 -8.995 13.216 -15.118 1.00 1.00 H new ATOM 338 N LEU A 21 -10.521 7.368 -8.239 1.00 1.00 N ATOM 339 CA LEU A 21 -10.804 6.479 -7.137 1.00 1.00 C ATOM 340 C LEU A 21 -11.890 7.025 -6.191 1.00 1.00 C ATOM 341 O LEU A 21 -12.308 6.331 -5.258 1.00 1.00 O ATOM 342 CB LEU A 21 -9.534 6.108 -6.363 1.00 1.00 C ATOM 343 CG LEU A 21 -8.508 5.305 -7.191 1.00 1.00 C ATOM 344 CD1 LEU A 21 -7.310 4.947 -6.317 1.00 1.00 C ATOM 345 CD2 LEU A 21 -9.098 4.020 -7.759 1.00 1.00 C ATOM 0 H LEU A 21 -9.747 8.012 -8.078 1.00 1.00 H new ATOM 0 HA LEU A 21 -11.204 5.568 -7.582 1.00 1.00 H new ATOM 0 HB2 LEU A 21 -9.060 7.021 -6.003 1.00 1.00 H new ATOM 0 HB3 LEU A 21 -9.813 5.526 -5.485 1.00 1.00 H new ATOM 0 HG LEU A 21 -8.206 5.937 -8.026 1.00 1.00 H new ATOM 0 HD11 LEU A 21 -6.588 4.380 -6.904 1.00 1.00 H new ATOM 0 HD12 LEU A 21 -6.842 5.860 -5.949 1.00 1.00 H new ATOM 0 HD13 LEU A 21 -7.643 4.344 -5.472 1.00 1.00 H new ATOM 0 HD21 LEU A 21 -8.336 3.492 -8.333 1.00 1.00 H new ATOM 0 HD22 LEU A 21 -9.442 3.385 -6.942 1.00 1.00 H new ATOM 0 HD23 LEU A 21 -9.939 4.262 -8.409 1.00 1.00 H new ATOM 357 N ALA A 22 -12.358 8.293 -6.435 1.00 1.00 N ATOM 358 CA ALA A 22 -13.532 8.840 -5.753 1.00 1.00 C ATOM 359 C ALA A 22 -13.269 8.942 -4.235 1.00 1.00 C ATOM 360 O ALA A 22 -14.076 8.589 -3.379 1.00 1.00 O ATOM 361 CB ALA A 22 -14.803 8.068 -6.079 1.00 1.00 C ATOM 0 H ALA A 22 -11.927 8.935 -7.100 1.00 1.00 H new ATOM 0 HA ALA A 22 -13.702 9.849 -6.128 1.00 1.00 H new ATOM 0 HB1 ALA A 22 -15.645 8.513 -5.549 1.00 1.00 H new ATOM 0 HB2 ALA A 22 -14.988 8.108 -7.152 1.00 1.00 H new ATOM 0 HB3 ALA A 22 -14.687 7.029 -5.769 1.00 1.00 H new ATOM 367 N LEU A 23 -12.053 9.515 -3.936 1.00 1.00 N ATOM 368 CA LEU A 23 -11.566 9.674 -2.577 1.00 1.00 C ATOM 369 C LEU A 23 -11.734 11.120 -2.090 1.00 1.00 C ATOM 370 O LEU A 23 -11.796 12.076 -2.868 1.00 1.00 O ATOM 371 CB LEU A 23 -10.086 9.269 -2.525 1.00 1.00 C ATOM 372 CG LEU A 23 -9.865 7.752 -2.677 1.00 1.00 C ATOM 373 CD1 LEU A 23 -8.384 7.467 -2.910 1.00 1.00 C ATOM 374 CD2 LEU A 23 -10.353 6.978 -1.454 1.00 1.00 C ATOM 0 H LEU A 23 -11.411 9.867 -4.646 1.00 1.00 H new ATOM 0 HA LEU A 23 -12.151 9.033 -1.918 1.00 1.00 H new ATOM 0 HB2 LEU A 23 -9.546 9.789 -3.316 1.00 1.00 H new ATOM 0 HB3 LEU A 23 -9.659 9.598 -1.578 1.00 1.00 H new ATOM 0 HG LEU A 23 -10.448 7.417 -3.535 1.00 1.00 H new ATOM 0 HD11 LEU A 23 -8.233 6.393 -3.017 1.00 1.00 H new ATOM 0 HD12 LEU A 23 -8.055 7.972 -3.818 1.00 1.00 H new ATOM 0 HD13 LEU A 23 -7.805 7.832 -2.062 1.00 1.00 H new ATOM 0 HD21 LEU A 23 -10.178 5.913 -1.604 1.00 1.00 H new ATOM 0 HD22 LEU A 23 -9.810 7.314 -0.570 1.00 1.00 H new ATOM 0 HD23 LEU A 23 -11.419 7.154 -1.314 1.00 1.00 H new ATOM 386 N PRO A 24 -11.728 11.310 -0.722 1.00 1.00 N ATOM 387 CA PRO A 24 -11.803 12.652 -0.173 1.00 1.00 C ATOM 388 C PRO A 24 -10.437 13.338 -0.351 1.00 1.00 C ATOM 389 O PRO A 24 -9.378 12.719 -0.467 1.00 1.00 O ATOM 390 CB PRO A 24 -12.107 12.447 1.313 1.00 1.00 C ATOM 391 CG PRO A 24 -11.471 11.090 1.607 1.00 1.00 C ATOM 392 CD PRO A 24 -11.737 10.304 0.333 1.00 1.00 C ATOM 0 HA PRO A 24 -12.555 13.274 -0.658 1.00 1.00 H new ATOM 0 HB2 PRO A 24 -11.675 13.237 1.927 1.00 1.00 H new ATOM 0 HB3 PRO A 24 -13.179 12.442 1.509 1.00 1.00 H new ATOM 0 HG2 PRO A 24 -10.404 11.180 1.810 1.00 1.00 H new ATOM 0 HG3 PRO A 24 -11.922 10.613 2.477 1.00 1.00 H new ATOM 0 HD2 PRO A 24 -10.971 9.546 0.166 1.00 1.00 H new ATOM 0 HD3 PRO A 24 -12.694 9.785 0.379 1.00 1.00 H new ATOM 400 N SER A 25 -10.486 14.720 -0.238 1.00 1.00 N ATOM 401 CA SER A 25 -9.274 15.493 -0.569 1.00 1.00 C ATOM 402 C SER A 25 -8.106 15.043 0.317 1.00 1.00 C ATOM 403 O SER A 25 -6.948 15.003 -0.097 1.00 1.00 O ATOM 404 CB SER A 25 -9.471 16.999 -0.356 1.00 1.00 C ATOM 405 OG SER A 25 -8.382 17.754 -0.885 1.00 1.00 O ATOM 0 H SER A 25 -11.296 15.264 0.058 1.00 1.00 H new ATOM 0 HA SER A 25 -9.063 15.309 -1.622 1.00 1.00 H new ATOM 0 HB2 SER A 25 -10.399 17.316 -0.833 1.00 1.00 H new ATOM 0 HB3 SER A 25 -9.573 17.205 0.709 1.00 1.00 H new ATOM 0 HG SER A 25 -7.728 17.925 -0.176 1.00 1.00 H new ATOM 411 N ASP A 26 -8.445 14.671 1.599 1.00 1.00 N ATOM 412 CA ASP A 26 -7.438 14.430 2.634 1.00 1.00 C ATOM 413 C ASP A 26 -6.521 13.284 2.164 1.00 1.00 C ATOM 414 O ASP A 26 -5.316 13.221 2.402 1.00 1.00 O ATOM 415 CB ASP A 26 -8.136 14.084 3.937 1.00 1.00 C ATOM 416 CG ASP A 26 -7.050 13.798 4.946 1.00 1.00 C ATOM 417 OD1 ASP A 26 -6.363 14.778 5.348 1.00 1.00 O ATOM 418 OD2 ASP A 26 -6.906 12.579 5.261 1.00 1.00 O ATOM 0 H ASP A 26 -9.406 14.539 1.914 1.00 1.00 H new ATOM 0 HA ASP A 26 -6.830 15.318 2.803 1.00 1.00 H new ATOM 0 HB2 ASP A 26 -8.766 14.909 4.270 1.00 1.00 H new ATOM 0 HB3 ASP A 26 -8.785 13.218 3.811 1.00 1.00 H new ATOM 423 N ALA A 27 -7.162 12.264 1.499 1.00 1.00 N ATOM 424 CA ALA A 27 -6.386 11.129 1.056 1.00 1.00 C ATOM 425 C ALA A 27 -5.399 11.464 -0.074 1.00 1.00 C ATOM 426 O ALA A 27 -4.452 10.720 -0.330 1.00 1.00 O ATOM 427 CB ALA A 27 -7.332 10.023 0.631 1.00 1.00 C ATOM 0 H ALA A 27 -8.158 12.232 1.284 1.00 1.00 H new ATOM 0 HA ALA A 27 -5.771 10.804 1.895 1.00 1.00 H new ATOM 0 HB1 ALA A 27 -6.756 9.161 0.295 1.00 1.00 H new ATOM 0 HB2 ALA A 27 -7.957 9.734 1.476 1.00 1.00 H new ATOM 0 HB3 ALA A 27 -7.964 10.378 -0.183 1.00 1.00 H new ATOM 433 N ILE A 28 -5.687 12.574 -0.823 1.00 1.00 N ATOM 434 CA ILE A 28 -4.789 13.050 -1.862 1.00 1.00 C ATOM 435 C ILE A 28 -3.787 14.048 -1.244 1.00 1.00 C ATOM 436 O ILE A 28 -2.587 14.025 -1.533 1.00 1.00 O ATOM 437 CB ILE A 28 -5.568 13.707 -3.026 1.00 1.00 C ATOM 438 CG1 ILE A 28 -6.824 12.891 -3.375 1.00 1.00 C ATOM 439 CG2 ILE A 28 -4.666 13.849 -4.257 1.00 1.00 C ATOM 440 CD1 ILE A 28 -7.756 13.596 -4.343 1.00 1.00 C ATOM 0 H ILE A 28 -6.532 13.134 -0.709 1.00 1.00 H new ATOM 0 HA ILE A 28 -4.249 12.199 -2.277 1.00 1.00 H new ATOM 0 HB ILE A 28 -5.885 14.700 -2.706 1.00 1.00 H new ATOM 0 HG12 ILE A 28 -6.519 11.937 -3.806 1.00 1.00 H new ATOM 0 HG13 ILE A 28 -7.368 12.667 -2.458 1.00 1.00 H new ATOM 0 HG21 ILE A 28 -5.228 14.313 -5.068 1.00 1.00 H new ATOM 0 HG22 ILE A 28 -3.807 14.472 -4.008 1.00 1.00 H new ATOM 0 HG23 ILE A 28 -4.322 12.864 -4.571 1.00 1.00 H new ATOM 0 HD11 ILE A 28 -8.620 12.962 -4.544 1.00 1.00 H new ATOM 0 HD12 ILE A 28 -8.090 14.537 -3.906 1.00 1.00 H new ATOM 0 HD13 ILE A 28 -7.228 13.796 -5.276 1.00 1.00 H new ATOM 452 N ASP A 29 -4.337 15.035 -0.463 1.00 1.00 N ATOM 453 CA ASP A 29 -3.593 16.204 -0.019 1.00 1.00 C ATOM 454 C ASP A 29 -2.621 15.954 1.138 1.00 1.00 C ATOM 455 O ASP A 29 -1.748 16.776 1.424 1.00 1.00 O ATOM 456 CB ASP A 29 -4.457 17.440 0.151 1.00 1.00 C ATOM 457 CG ASP A 29 -5.418 17.358 1.316 1.00 1.00 C ATOM 458 OD1 ASP A 29 -4.950 16.915 2.405 1.00 1.00 O ATOM 459 OD2 ASP A 29 -6.594 17.744 1.061 1.00 1.00 O ATOM 0 H ASP A 29 -5.304 15.017 -0.140 1.00 1.00 H new ATOM 0 HA ASP A 29 -2.930 16.430 -0.854 1.00 1.00 H new ATOM 0 HB2 ASP A 29 -3.811 18.308 0.285 1.00 1.00 H new ATOM 0 HB3 ASP A 29 -5.024 17.604 -0.765 1.00 1.00 H new ATOM 464 N LYS A 30 -2.714 14.727 1.760 1.00 1.00 N ATOM 465 CA LYS A 30 -1.697 14.352 2.723 1.00 1.00 C ATOM 466 C LYS A 30 -0.419 13.856 2.017 1.00 1.00 C ATOM 467 O LYS A 30 0.601 13.618 2.661 1.00 1.00 O ATOM 468 CB LYS A 30 -2.193 13.293 3.699 1.00 1.00 C ATOM 469 CG LYS A 30 -3.305 13.771 4.627 1.00 1.00 C ATOM 470 CD LYS A 30 -2.923 14.856 5.627 1.00 1.00 C ATOM 471 CE LYS A 30 -3.248 16.299 5.225 1.00 1.00 C ATOM 472 NZ LYS A 30 -4.633 16.473 4.802 1.00 1.00 N ATOM 0 H LYS A 30 -3.451 14.039 1.603 1.00 1.00 H new ATOM 0 HA LYS A 30 -1.462 15.251 3.293 1.00 1.00 H new ATOM 0 HB2 LYS A 30 -2.551 12.433 3.133 1.00 1.00 H new ATOM 0 HB3 LYS A 30 -1.353 12.950 4.303 1.00 1.00 H new ATOM 0 HG2 LYS A 30 -4.127 14.142 4.015 1.00 1.00 H new ATOM 0 HG3 LYS A 30 -3.683 12.912 5.181 1.00 1.00 H new ATOM 0 HD2 LYS A 30 -3.425 14.643 6.571 1.00 1.00 H new ATOM 0 HD3 LYS A 30 -1.851 14.787 5.814 1.00 1.00 H new ATOM 0 HE2 LYS A 30 -3.045 16.960 6.068 1.00 1.00 H new ATOM 0 HE3 LYS A 30 -2.585 16.603 4.415 1.00 1.00 H new ATOM 0 HZ1 LYS A 30 -4.989 17.388 5.145 1.00 1.00 H new ATOM 0 HZ2 LYS A 30 -4.684 16.449 3.764 1.00 1.00 H new ATOM 0 HZ3 LYS A 30 -5.215 15.706 5.195 1.00 1.00 H new ATOM 486 N ALA A 31 -0.501 13.654 0.658 1.00 1.00 N ATOM 487 CA ALA A 31 0.662 13.291 -0.143 1.00 1.00 C ATOM 488 C ALA A 31 0.761 14.102 -1.451 1.00 1.00 C ATOM 489 O ALA A 31 1.331 13.683 -2.459 1.00 1.00 O ATOM 490 CB ALA A 31 0.743 11.790 -0.382 1.00 1.00 C ATOM 0 H ALA A 31 -1.365 13.742 0.124 1.00 1.00 H new ATOM 0 HA ALA A 31 1.539 13.563 0.445 1.00 1.00 H new ATOM 0 HB1 ALA A 31 1.624 11.564 -0.983 1.00 1.00 H new ATOM 0 HB2 ALA A 31 0.814 11.273 0.575 1.00 1.00 H new ATOM 0 HB3 ALA A 31 -0.151 11.457 -0.909 1.00 1.00 H new ATOM 496 N ARG A 32 0.365 15.422 -1.350 1.00 1.00 N ATOM 497 CA ARG A 32 0.568 16.356 -2.456 1.00 1.00 C ATOM 498 C ARG A 32 2.071 16.739 -2.532 1.00 1.00 C ATOM 499 O ARG A 32 2.533 17.769 -2.051 1.00 1.00 O ATOM 500 CB ARG A 32 -0.340 17.593 -2.308 1.00 1.00 C ATOM 501 CG ARG A 32 -1.222 17.862 -3.539 1.00 1.00 C ATOM 502 CD ARG A 32 -2.227 16.747 -3.809 1.00 1.00 C ATOM 503 NE ARG A 32 -3.255 17.124 -4.769 1.00 1.00 N ATOM 504 CZ ARG A 32 -4.350 17.856 -4.547 1.00 1.00 C ATOM 505 NH1 ARG A 32 -4.572 18.475 -3.386 1.00 1.00 N ATOM 506 NH2 ARG A 32 -5.256 17.964 -5.513 1.00 1.00 N ATOM 0 H ARG A 32 -0.081 15.826 -0.527 1.00 1.00 H new ATOM 0 HA ARG A 32 0.288 15.877 -3.394 1.00 1.00 H new ATOM 0 HB2 ARG A 32 -0.980 17.461 -1.435 1.00 1.00 H new ATOM 0 HB3 ARG A 32 0.281 18.468 -2.119 1.00 1.00 H new ATOM 0 HG2 ARG A 32 -1.758 18.800 -3.396 1.00 1.00 H new ATOM 0 HG3 ARG A 32 -0.585 17.989 -4.414 1.00 1.00 H new ATOM 0 HD2 ARG A 32 -1.697 15.870 -4.180 1.00 1.00 H new ATOM 0 HD3 ARG A 32 -2.702 16.459 -2.871 1.00 1.00 H new ATOM 0 HE ARG A 32 -3.123 16.790 -5.724 1.00 1.00 H new ATOM 0 HH11 ARG A 32 -3.893 18.398 -2.629 1.00 1.00 H new ATOM 0 HH12 ARG A 32 -5.421 19.025 -3.255 1.00 1.00 H new ATOM 0 HH21 ARG A 32 -5.109 17.492 -6.405 1.00 1.00 H new ATOM 0 HH22 ARG A 32 -6.099 18.519 -5.362 1.00 1.00 H new ATOM 520 N ASN A 33 2.832 15.803 -3.201 1.00 1.00 N ATOM 521 CA ASN A 33 4.271 15.885 -3.456 1.00 1.00 C ATOM 522 C ASN A 33 5.133 15.274 -2.327 1.00 1.00 C ATOM 523 O ASN A 33 6.309 15.600 -2.159 1.00 1.00 O ATOM 524 CB ASN A 33 4.818 17.269 -3.810 1.00 1.00 C ATOM 525 CG ASN A 33 4.050 17.908 -4.935 1.00 1.00 C ATOM 526 OD1 ASN A 33 4.055 17.490 -6.086 1.00 1.00 O ATOM 527 ND2 ASN A 33 3.331 19.015 -4.583 1.00 1.00 N ATOM 0 H ASN A 33 2.420 14.950 -3.580 1.00 1.00 H new ATOM 0 HA ASN A 33 4.362 15.278 -4.357 1.00 1.00 H new ATOM 0 HB2 ASN A 33 4.775 17.912 -2.931 1.00 1.00 H new ATOM 0 HB3 ASN A 33 5.868 17.183 -4.091 1.00 1.00 H new ATOM 0 HD21 ASN A 33 2.783 19.512 -5.285 1.00 1.00 H new ATOM 0 HD22 ASN A 33 3.342 19.345 -3.618 1.00 1.00 H new ATOM 534 N LEU A 34 4.563 14.232 -1.614 1.00 1.00 N ATOM 535 CA LEU A 34 5.419 13.398 -0.780 1.00 1.00 C ATOM 536 C LEU A 34 5.930 12.176 -1.567 1.00 1.00 C ATOM 537 O LEU A 34 5.315 11.653 -2.491 1.00 1.00 O ATOM 538 CB LEU A 34 4.701 12.877 0.471 1.00 1.00 C ATOM 539 CG LEU A 34 4.337 13.967 1.490 1.00 1.00 C ATOM 540 CD1 LEU A 34 3.656 13.322 2.696 1.00 1.00 C ATOM 541 CD2 LEU A 34 5.555 14.753 1.974 1.00 1.00 C ATOM 0 H LEU A 34 3.573 13.986 -1.617 1.00 1.00 H new ATOM 0 HA LEU A 34 6.246 14.039 -0.474 1.00 1.00 H new ATOM 0 HB2 LEU A 34 3.790 12.363 0.165 1.00 1.00 H new ATOM 0 HB3 LEU A 34 5.336 12.137 0.959 1.00 1.00 H new ATOM 0 HG LEU A 34 3.670 14.668 0.988 1.00 1.00 H new ATOM 0 HD11 LEU A 34 3.396 14.092 3.422 1.00 1.00 H new ATOM 0 HD12 LEU A 34 2.751 12.809 2.371 1.00 1.00 H new ATOM 0 HD13 LEU A 34 4.335 12.604 3.156 1.00 1.00 H new ATOM 0 HD21 LEU A 34 5.238 15.509 2.692 1.00 1.00 H new ATOM 0 HD22 LEU A 34 6.261 14.073 2.451 1.00 1.00 H new ATOM 0 HD23 LEU A 34 6.036 15.238 1.125 1.00 1.00 H new ATOM 553 N LYS A 35 7.111 11.676 -1.062 1.00 1.00 N ATOM 554 CA LYS A 35 7.654 10.391 -1.470 1.00 1.00 C ATOM 555 C LYS A 35 7.015 9.384 -0.494 1.00 1.00 C ATOM 556 O LYS A 35 7.266 9.362 0.709 1.00 1.00 O ATOM 557 CB LYS A 35 9.186 10.404 -1.356 1.00 1.00 C ATOM 558 CG LYS A 35 9.813 11.349 -2.397 1.00 1.00 C ATOM 559 CD LYS A 35 11.289 11.675 -2.138 1.00 1.00 C ATOM 560 CE LYS A 35 12.286 10.929 -3.014 1.00 1.00 C ATOM 561 NZ LYS A 35 12.315 9.511 -2.691 1.00 1.00 N ATOM 0 H LYS A 35 7.681 12.167 -0.374 1.00 1.00 H new ATOM 0 HA LYS A 35 7.435 10.140 -2.508 1.00 1.00 H new ATOM 0 HB2 LYS A 35 9.476 10.719 -0.354 1.00 1.00 H new ATOM 0 HB3 LYS A 35 9.573 9.395 -1.498 1.00 1.00 H new ATOM 0 HG2 LYS A 35 9.720 10.897 -3.385 1.00 1.00 H new ATOM 0 HG3 LYS A 35 9.245 12.279 -2.417 1.00 1.00 H new ATOM 0 HD2 LYS A 35 11.437 12.746 -2.279 1.00 1.00 H new ATOM 0 HD3 LYS A 35 11.514 11.457 -1.094 1.00 1.00 H new ATOM 0 HE2 LYS A 35 12.021 11.060 -4.063 1.00 1.00 H new ATOM 0 HE3 LYS A 35 13.280 11.355 -2.881 1.00 1.00 H new ATOM 0 HZ1 LYS A 35 13.062 9.044 -3.244 1.00 1.00 H new ATOM 0 HZ2 LYS A 35 12.508 9.390 -1.676 1.00 1.00 H new ATOM 0 HZ3 LYS A 35 11.395 9.084 -2.922 1.00 1.00 H new ATOM 575 N ILE A 36 6.043 8.588 -1.054 1.00 1.00 N ATOM 576 CA ILE A 36 5.319 7.574 -0.274 1.00 1.00 C ATOM 577 C ILE A 36 6.336 6.446 0.067 1.00 1.00 C ATOM 578 O ILE A 36 7.268 6.122 -0.671 1.00 1.00 O ATOM 579 CB ILE A 36 4.080 7.098 -1.083 1.00 1.00 C ATOM 580 CG1 ILE A 36 3.005 8.211 -1.063 1.00 1.00 C ATOM 581 CG2 ILE A 36 3.478 5.773 -0.609 1.00 1.00 C ATOM 582 CD1 ILE A 36 1.880 8.003 -2.067 1.00 1.00 C ATOM 0 H ILE A 36 5.760 8.643 -2.032 1.00 1.00 H new ATOM 0 HA ILE A 36 4.925 7.959 0.666 1.00 1.00 H new ATOM 0 HB ILE A 36 4.430 6.906 -2.097 1.00 1.00 H new ATOM 0 HG12 ILE A 36 2.578 8.272 -0.062 1.00 1.00 H new ATOM 0 HG13 ILE A 36 3.485 9.169 -1.264 1.00 1.00 H new ATOM 0 HG21 ILE A 36 2.619 5.520 -1.231 1.00 1.00 H new ATOM 0 HG22 ILE A 36 4.227 4.985 -0.687 1.00 1.00 H new ATOM 0 HG23 ILE A 36 3.159 5.869 0.429 1.00 1.00 H new ATOM 0 HD11 ILE A 36 1.168 8.825 -1.991 1.00 1.00 H new ATOM 0 HD12 ILE A 36 2.293 7.973 -3.075 1.00 1.00 H new ATOM 0 HD13 ILE A 36 1.372 7.062 -1.855 1.00 1.00 H new ATOM 594 N ILE A 37 6.140 5.833 1.281 1.00 1.00 N ATOM 595 CA ILE A 37 6.938 4.683 1.719 1.00 1.00 C ATOM 596 C ILE A 37 6.049 3.432 1.492 1.00 1.00 C ATOM 597 O ILE A 37 4.818 3.481 1.470 1.00 1.00 O ATOM 598 CB ILE A 37 7.383 4.877 3.193 1.00 1.00 C ATOM 599 CG1 ILE A 37 8.637 5.774 3.334 1.00 1.00 C ATOM 600 CG2 ILE A 37 7.692 3.568 3.926 1.00 1.00 C ATOM 601 CD1 ILE A 37 8.480 7.190 2.816 1.00 1.00 C ATOM 0 H ILE A 37 5.435 6.130 1.955 1.00 1.00 H new ATOM 0 HA ILE A 37 7.864 4.568 1.156 1.00 1.00 H new ATOM 0 HB ILE A 37 6.516 5.356 3.648 1.00 1.00 H new ATOM 0 HG12 ILE A 37 8.916 5.818 4.387 1.00 1.00 H new ATOM 0 HG13 ILE A 37 9.464 5.300 2.805 1.00 1.00 H new ATOM 0 HG21 ILE A 37 7.996 3.787 4.950 1.00 1.00 H new ATOM 0 HG22 ILE A 37 6.802 2.939 3.938 1.00 1.00 H new ATOM 0 HG23 ILE A 37 8.499 3.045 3.412 1.00 1.00 H new ATOM 0 HD11 ILE A 37 9.412 7.736 2.961 1.00 1.00 H new ATOM 0 HD12 ILE A 37 8.236 7.164 1.754 1.00 1.00 H new ATOM 0 HD13 ILE A 37 7.679 7.690 3.360 1.00 1.00 H new ATOM 613 N SER A 38 6.720 2.238 1.396 1.00 1.00 N ATOM 614 CA SER A 38 6.015 0.964 1.276 1.00 1.00 C ATOM 615 C SER A 38 6.825 -0.138 1.958 1.00 1.00 C ATOM 616 O SER A 38 8.048 -0.200 1.840 1.00 1.00 O ATOM 617 CB SER A 38 5.793 0.584 -0.206 1.00 1.00 C ATOM 618 OG SER A 38 4.404 0.451 -0.532 1.00 1.00 O ATOM 0 H SER A 38 7.737 2.156 1.401 1.00 1.00 H new ATOM 0 HA SER A 38 5.043 1.070 1.757 1.00 1.00 H new ATOM 0 HB2 SER A 38 6.242 1.344 -0.845 1.00 1.00 H new ATOM 0 HB3 SER A 38 6.305 -0.354 -0.419 1.00 1.00 H new ATOM 0 HG SER A 38 3.932 0.028 0.215 1.00 1.00 H new ATOM 624 N GLU A 39 6.096 -1.076 2.660 1.00 1.00 N ATOM 625 CA GLU A 39 6.668 -2.395 2.927 1.00 1.00 C ATOM 626 C GLU A 39 6.038 -3.382 1.941 1.00 1.00 C ATOM 627 O GLU A 39 4.861 -3.299 1.589 1.00 1.00 O ATOM 628 CB GLU A 39 6.393 -2.982 4.321 1.00 1.00 C ATOM 629 CG GLU A 39 7.467 -2.627 5.341 1.00 1.00 C ATOM 630 CD GLU A 39 7.141 -1.466 6.240 1.00 1.00 C ATOM 631 OE1 GLU A 39 5.954 -1.064 6.275 1.00 1.00 O ATOM 632 OE2 GLU A 39 8.130 -0.933 6.826 1.00 1.00 O ATOM 0 H GLU A 39 5.155 -0.928 3.025 1.00 1.00 H new ATOM 0 HA GLU A 39 7.746 -2.258 2.839 1.00 1.00 H new ATOM 0 HB2 GLU A 39 5.428 -2.620 4.677 1.00 1.00 H new ATOM 0 HB3 GLU A 39 6.318 -4.067 4.244 1.00 1.00 H new ATOM 0 HG2 GLU A 39 7.659 -3.503 5.961 1.00 1.00 H new ATOM 0 HG3 GLU A 39 8.391 -2.404 4.808 1.00 1.00 H new ATOM 639 N VAL A 40 6.868 -4.420 1.597 1.00 1.00 N ATOM 640 CA VAL A 40 6.398 -5.572 0.844 1.00 1.00 C ATOM 641 C VAL A 40 7.006 -6.815 1.529 1.00 1.00 C ATOM 642 O VAL A 40 8.172 -6.845 1.933 1.00 1.00 O ATOM 643 CB VAL A 40 6.831 -5.486 -0.632 1.00 1.00 C ATOM 644 CG1 VAL A 40 6.267 -6.653 -1.447 1.00 1.00 C ATOM 645 CG2 VAL A 40 6.420 -4.160 -1.276 1.00 1.00 C ATOM 0 H VAL A 40 7.858 -4.457 1.841 1.00 1.00 H new ATOM 0 HA VAL A 40 5.309 -5.619 0.840 1.00 1.00 H new ATOM 0 HB VAL A 40 7.919 -5.543 -0.638 1.00 1.00 H new ATOM 0 HG11 VAL A 40 6.591 -6.563 -2.484 1.00 1.00 H new ATOM 0 HG12 VAL A 40 6.630 -7.594 -1.034 1.00 1.00 H new ATOM 0 HG13 VAL A 40 5.178 -6.634 -1.404 1.00 1.00 H new ATOM 0 HG21 VAL A 40 6.746 -4.144 -2.316 1.00 1.00 H new ATOM 0 HG22 VAL A 40 5.336 -4.056 -1.234 1.00 1.00 H new ATOM 0 HG23 VAL A 40 6.885 -3.334 -0.737 1.00 1.00 H new ATOM 655 N LYS A 41 6.180 -7.909 1.596 1.00 1.00 N ATOM 656 CA LYS A 41 6.588 -9.218 2.118 1.00 1.00 C ATOM 657 C LYS A 41 5.928 -10.275 1.215 1.00 1.00 C ATOM 658 O LYS A 41 4.809 -10.122 0.733 1.00 1.00 O ATOM 659 CB LYS A 41 6.189 -9.356 3.593 1.00 1.00 C ATOM 660 CG LYS A 41 6.419 -10.747 4.191 1.00 1.00 C ATOM 661 CD LYS A 41 6.185 -10.815 5.708 1.00 1.00 C ATOM 662 CE LYS A 41 4.798 -10.421 6.211 1.00 1.00 C ATOM 663 NZ LYS A 41 3.764 -11.306 5.707 1.00 1.00 N ATOM 0 H LYS A 41 5.210 -7.886 1.282 1.00 1.00 H new ATOM 0 HA LYS A 41 7.670 -9.347 2.097 1.00 1.00 H new ATOM 0 HB2 LYS A 41 6.751 -8.627 4.177 1.00 1.00 H new ATOM 0 HB3 LYS A 41 5.134 -9.101 3.695 1.00 1.00 H new ATOM 0 HG2 LYS A 41 5.756 -11.458 3.698 1.00 1.00 H new ATOM 0 HG3 LYS A 41 7.440 -11.061 3.976 1.00 1.00 H new ATOM 0 HD2 LYS A 41 6.389 -11.834 6.037 1.00 1.00 H new ATOM 0 HD3 LYS A 41 6.918 -10.171 6.194 1.00 1.00 H new ATOM 0 HE2 LYS A 41 4.790 -10.438 7.301 1.00 1.00 H new ATOM 0 HE3 LYS A 41 4.579 -9.398 5.906 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 2.878 -11.135 6.224 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 3.614 -11.124 4.694 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 4.058 -12.295 5.841 1.00 1.00 H new ATOM 677 N GLN A 42 6.724 -11.368 0.969 1.00 1.00 N ATOM 678 CA GLN A 42 6.318 -12.461 0.084 1.00 1.00 C ATOM 679 C GLN A 42 6.137 -13.690 0.986 1.00 1.00 C ATOM 680 O GLN A 42 7.089 -14.327 1.438 1.00 1.00 O ATOM 681 CB GLN A 42 7.420 -12.714 -0.947 1.00 1.00 C ATOM 682 CG GLN A 42 7.610 -11.509 -1.864 1.00 1.00 C ATOM 683 CD GLN A 42 8.875 -11.621 -2.672 1.00 1.00 C ATOM 684 OE1 GLN A 42 9.844 -10.886 -2.486 1.00 1.00 O ATOM 685 NE2 GLN A 42 8.872 -12.563 -3.650 1.00 1.00 N ATOM 0 H GLN A 42 7.648 -11.494 1.383 1.00 1.00 H new ATOM 0 HA GLN A 42 5.400 -12.232 -0.457 1.00 1.00 H new ATOM 0 HB2 GLN A 42 8.356 -12.935 -0.435 1.00 1.00 H new ATOM 0 HB3 GLN A 42 7.168 -13.591 -1.543 1.00 1.00 H new ATOM 0 HG2 GLN A 42 6.755 -11.424 -2.535 1.00 1.00 H new ATOM 0 HG3 GLN A 42 7.639 -10.598 -1.267 1.00 1.00 H new ATOM 0 HE21 GLN A 42 8.055 -13.159 -3.782 1.00 1.00 H new ATOM 0 HE22 GLN A 42 9.687 -12.675 -4.253 1.00 1.00 H new ATOM 694 N ASP A 43 4.842 -13.940 1.349 1.00 1.00 N ATOM 695 CA ASP A 43 4.444 -15.008 2.263 1.00 1.00 C ATOM 696 C ASP A 43 4.258 -16.274 1.394 1.00 1.00 C ATOM 697 O ASP A 43 3.169 -16.797 1.146 1.00 1.00 O ATOM 698 CB ASP A 43 3.147 -14.648 2.967 1.00 1.00 C ATOM 699 CG ASP A 43 3.425 -13.477 3.854 1.00 1.00 C ATOM 700 OD1 ASP A 43 3.880 -13.698 5.016 1.00 1.00 O ATOM 701 OD2 ASP A 43 3.154 -12.313 3.424 1.00 1.00 O ATOM 0 H ASP A 43 4.055 -13.391 1.002 1.00 1.00 H new ATOM 0 HA ASP A 43 5.194 -15.168 3.037 1.00 1.00 H new ATOM 0 HB2 ASP A 43 2.372 -14.403 2.241 1.00 1.00 H new ATOM 0 HB3 ASP A 43 2.781 -15.492 3.551 1.00 1.00 H new ATOM 706 N GLY A 44 5.432 -16.750 0.844 1.00 1.00 N ATOM 707 CA GLY A 44 5.402 -17.791 -0.156 1.00 1.00 C ATOM 708 C GLY A 44 4.823 -17.244 -1.467 1.00 1.00 C ATOM 709 O GLY A 44 5.383 -16.375 -2.132 1.00 1.00 O ATOM 0 H GLY A 44 6.364 -16.417 1.092 1.00 1.00 H new ATOM 0 HA2 GLY A 44 6.409 -18.173 -0.325 1.00 1.00 H new ATOM 0 HA3 GLY A 44 4.799 -18.628 0.196 1.00 1.00 H new ATOM 713 N GLN A 45 3.589 -17.775 -1.790 1.00 1.00 N ATOM 714 CA GLN A 45 2.829 -17.337 -2.964 1.00 1.00 C ATOM 715 C GLN A 45 1.790 -16.238 -2.617 1.00 1.00 C ATOM 716 O GLN A 45 1.176 -15.620 -3.491 1.00 1.00 O ATOM 717 CB GLN A 45 2.150 -18.559 -3.594 1.00 1.00 C ATOM 718 CG GLN A 45 1.557 -18.265 -4.970 1.00 1.00 C ATOM 719 CD GLN A 45 1.140 -19.518 -5.708 1.00 1.00 C ATOM 720 OE1 GLN A 45 1.352 -20.660 -5.321 1.00 1.00 O ATOM 721 NE2 GLN A 45 0.516 -19.268 -6.896 1.00 1.00 N ATOM 0 H GLN A 45 3.126 -18.500 -1.242 1.00 1.00 H new ATOM 0 HA GLN A 45 3.519 -16.887 -3.677 1.00 1.00 H new ATOM 0 HB2 GLN A 45 2.876 -19.367 -3.682 1.00 1.00 H new ATOM 0 HB3 GLN A 45 1.360 -18.911 -2.931 1.00 1.00 H new ATOM 0 HG2 GLN A 45 0.692 -17.611 -4.856 1.00 1.00 H new ATOM 0 HG3 GLN A 45 2.290 -17.723 -5.568 1.00 1.00 H new ATOM 0 HE21 GLN A 45 0.352 -18.306 -7.194 1.00 1.00 H new ATOM 0 HE22 GLN A 45 0.213 -20.043 -7.486 1.00 1.00 H new ATOM 730 N ASN A 46 1.524 -16.063 -1.270 1.00 1.00 N ATOM 731 CA ASN A 46 0.800 -14.868 -0.832 1.00 1.00 C ATOM 732 C ASN A 46 1.822 -13.723 -0.755 1.00 1.00 C ATOM 733 O ASN A 46 3.023 -13.914 -0.558 1.00 1.00 O ATOM 734 CB ASN A 46 0.168 -15.060 0.541 1.00 1.00 C ATOM 735 CG ASN A 46 -1.316 -15.300 0.481 1.00 1.00 C ATOM 736 OD1 ASN A 46 -2.044 -15.008 -0.457 1.00 1.00 O ATOM 737 ND2 ASN A 46 -1.832 -15.854 1.615 1.00 1.00 N ATOM 0 H ASN A 46 1.794 -16.710 -0.529 1.00 1.00 H new ATOM 0 HA ASN A 46 -0.004 -14.655 -1.536 1.00 1.00 H new ATOM 0 HB2 ASN A 46 0.646 -15.903 1.039 1.00 1.00 H new ATOM 0 HB3 ASN A 46 0.363 -14.177 1.150 1.00 1.00 H new ATOM 0 HD21 ASN A 46 -2.834 -16.029 1.687 1.00 1.00 H new ATOM 0 HD22 ASN A 46 -1.216 -16.094 2.392 1.00 1.00 H new ATOM 744 N PHE A 47 1.292 -12.474 -0.879 1.00 1.00 N ATOM 745 CA PHE A 47 2.074 -11.245 -0.829 1.00 1.00 C ATOM 746 C PHE A 47 1.327 -10.322 0.149 1.00 1.00 C ATOM 747 O PHE A 47 0.128 -10.065 0.018 1.00 1.00 O ATOM 748 CB PHE A 47 2.130 -10.534 -2.194 1.00 1.00 C ATOM 749 CG PHE A 47 3.294 -10.873 -3.105 1.00 1.00 C ATOM 750 CD1 PHE A 47 3.600 -12.190 -3.466 1.00 1.00 C ATOM 751 CD2 PHE A 47 4.032 -9.835 -3.697 1.00 1.00 C ATOM 752 CE1 PHE A 47 4.618 -12.462 -4.387 1.00 1.00 C ATOM 753 CE2 PHE A 47 5.033 -10.105 -4.632 1.00 1.00 C ATOM 754 CZ PHE A 47 5.324 -11.420 -4.982 1.00 1.00 C ATOM 0 H PHE A 47 0.295 -12.311 -1.018 1.00 1.00 H new ATOM 0 HA PHE A 47 3.098 -11.472 -0.533 1.00 1.00 H new ATOM 0 HB2 PHE A 47 1.207 -10.756 -2.729 1.00 1.00 H new ATOM 0 HB3 PHE A 47 2.143 -9.459 -2.015 1.00 1.00 H new ATOM 0 HD1 PHE A 47 3.044 -13.006 -3.029 1.00 1.00 H new ATOM 0 HD2 PHE A 47 3.822 -8.811 -3.425 1.00 1.00 H new ATOM 0 HE1 PHE A 47 4.857 -13.485 -4.637 1.00 1.00 H new ATOM 0 HE2 PHE A 47 5.582 -9.292 -5.084 1.00 1.00 H new ATOM 0 HZ PHE A 47 6.093 -11.631 -5.711 1.00 1.00 H new ATOM 764 N THR A 48 2.082 -9.822 1.186 1.00 1.00 N ATOM 765 CA THR A 48 1.601 -8.692 1.988 1.00 1.00 C ATOM 766 C THR A 48 2.246 -7.429 1.383 1.00 1.00 C ATOM 767 O THR A 48 3.416 -7.421 0.991 1.00 1.00 O ATOM 768 CB THR A 48 2.043 -8.811 3.460 1.00 1.00 C ATOM 769 OG1 THR A 48 1.788 -10.108 4.013 1.00 1.00 O ATOM 770 CG2 THR A 48 1.345 -7.803 4.365 1.00 1.00 C ATOM 0 H THR A 48 2.994 -10.185 1.462 1.00 1.00 H new ATOM 0 HA THR A 48 0.512 -8.662 1.971 1.00 1.00 H new ATOM 0 HB THR A 48 3.115 -8.617 3.431 1.00 1.00 H new ATOM 0 HG1 THR A 48 2.180 -10.794 3.433 1.00 1.00 H new ATOM 0 HG21 THR A 48 1.694 -7.932 5.390 1.00 1.00 H new ATOM 0 HG22 THR A 48 1.574 -6.792 4.028 1.00 1.00 H new ATOM 0 HG23 THR A 48 0.268 -7.964 4.326 1.00 1.00 H new ATOM 778 N TRP A 49 1.463 -6.301 1.376 1.00 1.00 N ATOM 779 CA TRP A 49 1.910 -5.057 0.732 1.00 1.00 C ATOM 780 C TRP A 49 1.277 -3.892 1.514 1.00 1.00 C ATOM 781 O TRP A 49 0.057 -3.717 1.546 1.00 1.00 O ATOM 782 CB TRP A 49 1.443 -5.017 -0.730 1.00 1.00 C ATOM 783 CG TRP A 49 2.213 -4.072 -1.606 1.00 1.00 C ATOM 784 CD1 TRP A 49 2.297 -2.697 -1.491 1.00 1.00 C ATOM 785 CD2 TRP A 49 2.966 -4.427 -2.774 1.00 1.00 C ATOM 786 NE1 TRP A 49 3.074 -2.219 -2.515 1.00 1.00 N ATOM 787 CE2 TRP A 49 3.459 -3.251 -3.339 1.00 1.00 C ATOM 788 CE3 TRP A 49 3.248 -5.648 -3.418 1.00 1.00 C ATOM 789 CZ2 TRP A 49 4.192 -3.236 -4.533 1.00 1.00 C ATOM 790 CZ3 TRP A 49 3.972 -5.654 -4.615 1.00 1.00 C ATOM 791 CH2 TRP A 49 4.429 -4.461 -5.168 1.00 1.00 C ATOM 0 H TRP A 49 0.539 -6.246 1.805 1.00 1.00 H new ATOM 0 HA TRP A 49 2.998 -4.990 0.739 1.00 1.00 H new ATOM 0 HB2 TRP A 49 1.516 -6.021 -1.149 1.00 1.00 H new ATOM 0 HB3 TRP A 49 0.390 -4.737 -0.754 1.00 1.00 H new ATOM 0 HD1 TRP A 49 1.829 -2.099 -0.723 1.00 1.00 H new ATOM 0 HE1 TRP A 49 3.329 -1.240 -2.647 1.00 1.00 H new ATOM 0 HE3 TRP A 49 2.906 -6.578 -2.988 1.00 1.00 H new ATOM 0 HZ2 TRP A 49 4.562 -2.311 -4.949 1.00 1.00 H new ATOM 0 HZ3 TRP A 49 4.178 -6.590 -5.113 1.00 1.00 H new ATOM 0 HH2 TRP A 49 4.974 -4.481 -6.100 1.00 1.00 H new ATOM 802 N SER A 50 2.160 -3.126 2.247 1.00 1.00 N ATOM 803 CA SER A 50 1.748 -1.884 2.897 1.00 1.00 C ATOM 804 C SER A 50 2.249 -0.689 2.073 1.00 1.00 C ATOM 805 O SER A 50 3.337 -0.700 1.496 1.00 1.00 O ATOM 806 CB SER A 50 2.298 -1.743 4.323 1.00 1.00 C ATOM 807 OG SER A 50 1.803 -0.577 4.992 1.00 1.00 O ATOM 0 H SER A 50 3.142 -3.366 2.385 1.00 1.00 H new ATOM 0 HA SER A 50 0.660 -1.907 2.956 1.00 1.00 H new ATOM 0 HB2 SER A 50 2.032 -2.629 4.900 1.00 1.00 H new ATOM 0 HB3 SER A 50 3.387 -1.701 4.286 1.00 1.00 H new ATOM 0 HG SER A 50 0.934 -0.327 4.613 1.00 1.00 H new ATOM 813 N GLN A 51 1.408 0.406 2.045 1.00 1.00 N ATOM 814 CA GLN A 51 1.877 1.738 1.645 1.00 1.00 C ATOM 815 C GLN A 51 1.735 2.650 2.884 1.00 1.00 C ATOM 816 O GLN A 51 0.818 2.507 3.695 1.00 1.00 O ATOM 817 CB GLN A 51 1.030 2.336 0.513 1.00 1.00 C ATOM 818 CG GLN A 51 1.098 1.549 -0.796 1.00 1.00 C ATOM 819 CD GLN A 51 1.840 2.266 -1.899 1.00 1.00 C ATOM 820 OE1 GLN A 51 1.337 2.521 -2.991 1.00 1.00 O ATOM 821 NE2 GLN A 51 3.137 2.572 -1.645 1.00 1.00 N ATOM 0 H GLN A 51 0.420 0.368 2.295 1.00 1.00 H new ATOM 0 HA GLN A 51 2.903 1.661 1.286 1.00 1.00 H new ATOM 0 HB2 GLN A 51 -0.009 2.390 0.839 1.00 1.00 H new ATOM 0 HB3 GLN A 51 1.359 3.359 0.328 1.00 1.00 H new ATOM 0 HG2 GLN A 51 1.582 0.591 -0.608 1.00 1.00 H new ATOM 0 HG3 GLN A 51 0.084 1.334 -1.133 1.00 1.00 H new ATOM 0 HE21 GLN A 51 3.543 2.355 -0.735 1.00 1.00 H new ATOM 0 HE22 GLN A 51 3.706 3.019 -2.364 1.00 1.00 H new ATOM 830 N GLN A 52 2.647 3.666 2.966 1.00 1.00 N ATOM 831 CA GLN A 52 2.760 4.564 4.106 1.00 1.00 C ATOM 832 C GLN A 52 3.015 5.980 3.575 1.00 1.00 C ATOM 833 O GLN A 52 3.868 6.238 2.728 1.00 1.00 O ATOM 834 CB GLN A 52 3.938 4.184 5.004 1.00 1.00 C ATOM 835 CG GLN A 52 3.599 3.093 6.012 1.00 1.00 C ATOM 836 CD GLN A 52 4.723 2.093 6.105 1.00 1.00 C ATOM 837 OE1 GLN A 52 5.856 2.387 6.484 1.00 1.00 O ATOM 838 NE2 GLN A 52 4.392 0.853 5.654 1.00 1.00 N ATOM 0 H GLN A 52 3.319 3.867 2.225 1.00 1.00 H new ATOM 0 HA GLN A 52 1.840 4.502 4.687 1.00 1.00 H new ATOM 0 HB2 GLN A 52 4.767 3.849 4.381 1.00 1.00 H new ATOM 0 HB3 GLN A 52 4.279 5.070 5.539 1.00 1.00 H new ATOM 0 HG2 GLN A 52 3.418 3.537 6.991 1.00 1.00 H new ATOM 0 HG3 GLN A 52 2.679 2.589 5.716 1.00 1.00 H new ATOM 0 HE21 GLN A 52 3.438 0.659 5.351 1.00 1.00 H new ATOM 0 HE22 GLN A 52 5.098 0.118 5.619 1.00 1.00 H new ATOM 847 N TYR A 53 2.220 6.950 4.138 1.00 1.00 N ATOM 848 CA TYR A 53 2.509 8.361 3.908 1.00 1.00 C ATOM 849 C TYR A 53 3.442 8.742 5.070 1.00 1.00 C ATOM 850 O TYR A 53 3.126 8.438 6.231 1.00 1.00 O ATOM 851 CB TYR A 53 1.266 9.254 4.050 1.00 1.00 C ATOM 852 CG TYR A 53 0.115 9.067 3.089 1.00 1.00 C ATOM 853 CD1 TYR A 53 -0.451 7.818 2.813 1.00 1.00 C ATOM 854 CD2 TYR A 53 -0.507 10.207 2.557 1.00 1.00 C ATOM 855 CE1 TYR A 53 -1.613 7.723 2.050 1.00 1.00 C ATOM 856 CE2 TYR A 53 -1.660 10.113 1.774 1.00 1.00 C ATOM 857 CZ TYR A 53 -2.217 8.870 1.551 1.00 1.00 C ATOM 858 OH TYR A 53 -3.357 8.703 0.827 1.00 1.00 O ATOM 0 H TYR A 53 1.409 6.765 4.729 1.00 1.00 H new ATOM 0 HA TYR A 53 2.909 8.500 2.903 1.00 1.00 H new ATOM 0 HB2 TYR A 53 0.877 9.118 5.059 1.00 1.00 H new ATOM 0 HB3 TYR A 53 1.595 10.290 3.972 1.00 1.00 H new ATOM 0 HD1 TYR A 53 0.016 6.922 3.194 1.00 1.00 H new ATOM 0 HD2 TYR A 53 -0.084 11.180 2.758 1.00 1.00 H new ATOM 0 HE1 TYR A 53 -2.045 6.755 1.846 1.00 1.00 H new ATOM 0 HE2 TYR A 53 -2.109 10.999 1.350 1.00 1.00 H new ATOM 0 HH TYR A 53 -3.517 9.500 0.280 1.00 1.00 H new ATOM 868 N PRO A 54 4.578 9.468 4.821 1.00 1.00 N ATOM 869 CA PRO A 54 5.481 9.840 5.917 1.00 1.00 C ATOM 870 C PRO A 54 4.886 11.079 6.618 1.00 1.00 C ATOM 871 O PRO A 54 5.257 12.233 6.420 1.00 1.00 O ATOM 872 CB PRO A 54 6.818 10.110 5.239 1.00 1.00 C ATOM 873 CG PRO A 54 6.427 10.578 3.844 1.00 1.00 C ATOM 874 CD PRO A 54 5.183 9.760 3.526 1.00 1.00 C ATOM 0 HA PRO A 54 5.610 9.080 6.688 1.00 1.00 H new ATOM 0 HB2 PRO A 54 7.390 10.870 5.771 1.00 1.00 H new ATOM 0 HB3 PRO A 54 7.437 9.213 5.202 1.00 1.00 H new ATOM 0 HG2 PRO A 54 6.219 11.648 3.824 1.00 1.00 H new ATOM 0 HG3 PRO A 54 7.223 10.394 3.122 1.00 1.00 H new ATOM 0 HD2 PRO A 54 4.498 10.317 2.887 1.00 1.00 H new ATOM 0 HD3 PRO A 54 5.439 8.843 2.995 1.00 1.00 H new ATOM 882 N GLY A 55 3.817 10.782 7.438 1.00 1.00 N ATOM 883 CA GLY A 55 3.049 11.829 8.076 1.00 1.00 C ATOM 884 C GLY A 55 1.993 11.240 9.006 1.00 1.00 C ATOM 885 O GLY A 55 2.069 11.333 10.228 1.00 1.00 O ATOM 0 H GLY A 55 3.501 9.835 7.647 1.00 1.00 H new ATOM 0 HA2 GLY A 55 3.715 12.481 8.642 1.00 1.00 H new ATOM 0 HA3 GLY A 55 2.568 12.446 7.317 1.00 1.00 H new ATOM 889 N GLY A 56 0.942 10.588 8.371 1.00 1.00 N ATOM 890 CA GLY A 56 -0.207 10.238 9.195 1.00 1.00 C ATOM 891 C GLY A 56 -1.334 9.433 8.545 1.00 1.00 C ATOM 892 O GLY A 56 -2.438 9.317 9.081 1.00 1.00 O ATOM 0 H GLY A 56 0.895 10.330 7.385 1.00 1.00 H new ATOM 0 HA2 GLY A 56 0.156 9.672 10.053 1.00 1.00 H new ATOM 0 HA3 GLY A 56 -0.636 11.163 9.581 1.00 1.00 H new ATOM 896 N HIS A 57 -1.039 8.790 7.363 1.00 1.00 N ATOM 897 CA HIS A 57 -1.943 7.754 6.828 1.00 1.00 C ATOM 898 C HIS A 57 -1.065 6.576 6.389 1.00 1.00 C ATOM 899 O HIS A 57 0.145 6.686 6.182 1.00 1.00 O ATOM 900 CB HIS A 57 -2.796 8.214 5.633 1.00 1.00 C ATOM 901 CG HIS A 57 -3.896 9.179 5.945 1.00 1.00 C ATOM 902 ND1 HIS A 57 -4.356 9.452 7.249 1.00 1.00 N ATOM 903 CD2 HIS A 57 -4.632 9.973 5.017 1.00 1.00 C ATOM 904 CE1 HIS A 57 -5.326 10.437 7.110 1.00 1.00 C ATOM 905 NE2 HIS A 57 -5.516 10.752 5.747 1.00 1.00 N ATOM 0 H HIS A 57 -0.212 8.974 6.796 1.00 1.00 H new ATOM 0 HA HIS A 57 -2.651 7.493 7.614 1.00 1.00 H new ATOM 0 HB2 HIS A 57 -2.136 8.672 4.896 1.00 1.00 H new ATOM 0 HB3 HIS A 57 -3.235 7.333 5.165 1.00 1.00 H new ATOM 0 HD1 HIS A 57 -4.042 9.016 8.116 1.00 1.00 H new ATOM 0 HD2 HIS A 57 -4.521 9.968 3.943 1.00 1.00 H new ATOM 0 HE1 HIS A 57 -5.859 10.897 7.929 1.00 1.00 H new ATOM 0 HE2 HIS A 57 -6.181 11.428 5.369 1.00 1.00 H new ATOM 914 N SER A 58 -1.733 5.392 6.242 1.00 1.00 N ATOM 915 CA SER A 58 -1.089 4.160 5.784 1.00 1.00 C ATOM 916 C SER A 58 -2.207 3.221 5.328 1.00 1.00 C ATOM 917 O SER A 58 -3.344 3.292 5.792 1.00 1.00 O ATOM 918 CB SER A 58 -0.250 3.489 6.875 1.00 1.00 C ATOM 919 OG SER A 58 0.965 4.202 7.117 1.00 1.00 O ATOM 0 H SER A 58 -2.728 5.284 6.441 1.00 1.00 H new ATOM 0 HA SER A 58 -0.396 4.394 4.975 1.00 1.00 H new ATOM 0 HB2 SER A 58 -0.829 3.432 7.797 1.00 1.00 H new ATOM 0 HB3 SER A 58 -0.019 2.465 6.580 1.00 1.00 H new ATOM 0 HG SER A 58 0.864 5.131 6.820 1.00 1.00 H new ATOM 925 N ILE A 59 -1.839 2.341 4.348 1.00 1.00 N ATOM 926 CA ILE A 59 -2.721 1.305 3.824 1.00 1.00 C ATOM 927 C ILE A 59 -1.912 0.000 3.986 1.00 1.00 C ATOM 928 O ILE A 59 -0.680 -0.023 3.914 1.00 1.00 O ATOM 929 CB ILE A 59 -3.090 1.566 2.336 1.00 1.00 C ATOM 930 CG1 ILE A 59 -3.899 2.870 2.126 1.00 1.00 C ATOM 931 CG2 ILE A 59 -3.912 0.405 1.747 1.00 1.00 C ATOM 932 CD1 ILE A 59 -3.071 4.143 2.045 1.00 1.00 C ATOM 0 H ILE A 59 -0.916 2.348 3.913 1.00 1.00 H new ATOM 0 HA ILE A 59 -3.675 1.270 4.351 1.00 1.00 H new ATOM 0 HB ILE A 59 -2.133 1.660 1.823 1.00 1.00 H new ATOM 0 HG12 ILE A 59 -4.479 2.774 1.208 1.00 1.00 H new ATOM 0 HG13 ILE A 59 -4.612 2.971 2.944 1.00 1.00 H new ATOM 0 HG21 ILE A 59 -4.152 0.621 0.706 1.00 1.00 H new ATOM 0 HG22 ILE A 59 -3.332 -0.516 1.802 1.00 1.00 H new ATOM 0 HG23 ILE A 59 -4.835 0.287 2.315 1.00 1.00 H new ATOM 0 HD11 ILE A 59 -3.731 4.998 1.897 1.00 1.00 H new ATOM 0 HD12 ILE A 59 -2.511 4.273 2.971 1.00 1.00 H new ATOM 0 HD13 ILE A 59 -2.376 4.072 1.208 1.00 1.00 H new ATOM 944 N THR A 60 -2.645 -1.148 4.153 1.00 1.00 N ATOM 945 CA THR A 60 -2.033 -2.451 3.896 1.00 1.00 C ATOM 946 C THR A 60 -3.078 -3.363 3.247 1.00 1.00 C ATOM 947 O THR A 60 -4.275 -3.081 3.251 1.00 1.00 O ATOM 948 CB THR A 60 -1.353 -3.058 5.138 1.00 1.00 C ATOM 949 OG1 THR A 60 -0.337 -3.983 4.736 1.00 1.00 O ATOM 950 CG2 THR A 60 -2.312 -3.750 6.096 1.00 1.00 C ATOM 0 H THR A 60 -3.619 -1.178 4.453 1.00 1.00 H new ATOM 0 HA THR A 60 -1.206 -2.328 3.196 1.00 1.00 H new ATOM 0 HB THR A 60 -0.923 -2.217 5.682 1.00 1.00 H new ATOM 0 HG1 THR A 60 0.092 -4.364 5.531 1.00 1.00 H new ATOM 0 HG21 THR A 60 -1.755 -4.150 6.943 1.00 1.00 H new ATOM 0 HG22 THR A 60 -3.050 -3.032 6.454 1.00 1.00 H new ATOM 0 HG23 THR A 60 -2.819 -4.564 5.578 1.00 1.00 H new ATOM 958 N ASN A 61 -2.565 -4.479 2.646 1.00 1.00 N ATOM 959 CA ASN A 61 -3.382 -5.495 2.001 1.00 1.00 C ATOM 960 C ASN A 61 -2.535 -6.771 1.902 1.00 1.00 C ATOM 961 O ASN A 61 -1.313 -6.736 1.751 1.00 1.00 O ATOM 962 CB ASN A 61 -3.817 -5.092 0.594 1.00 1.00 C ATOM 963 CG ASN A 61 -5.306 -4.880 0.542 1.00 1.00 C ATOM 964 OD1 ASN A 61 -6.076 -5.717 0.085 1.00 1.00 O ATOM 965 ND2 ASN A 61 -5.767 -3.696 1.031 1.00 1.00 N ATOM 0 H ASN A 61 -1.565 -4.678 2.608 1.00 1.00 H new ATOM 0 HA ASN A 61 -4.286 -5.638 2.593 1.00 1.00 H new ATOM 0 HB2 ASN A 61 -3.303 -4.178 0.296 1.00 1.00 H new ATOM 0 HB3 ASN A 61 -3.529 -5.866 -0.118 1.00 1.00 H new ATOM 0 HD21 ASN A 61 -6.767 -3.495 1.021 1.00 1.00 H new ATOM 0 HD22 ASN A 61 -5.113 -3.010 1.408 1.00 1.00 H new ATOM 972 N THR A 62 -3.268 -7.936 1.958 1.00 1.00 N ATOM 973 CA THR A 62 -2.673 -9.223 1.565 1.00 1.00 C ATOM 974 C THR A 62 -3.368 -9.639 0.265 1.00 1.00 C ATOM 975 O THR A 62 -4.568 -9.436 0.085 1.00 1.00 O ATOM 976 CB THR A 62 -2.898 -10.282 2.657 1.00 1.00 C ATOM 977 OG1 THR A 62 -2.454 -9.776 3.926 1.00 1.00 O ATOM 978 CG2 THR A 62 -2.142 -11.580 2.402 1.00 1.00 C ATOM 0 H THR A 62 -4.239 -7.990 2.264 1.00 1.00 H new ATOM 0 HA THR A 62 -1.596 -9.131 1.427 1.00 1.00 H new ATOM 0 HB THR A 62 -3.967 -10.494 2.650 1.00 1.00 H new ATOM 0 HG1 THR A 62 -2.601 -10.454 4.618 1.00 1.00 H new ATOM 0 HG21 THR A 62 -2.344 -12.284 3.209 1.00 1.00 H new ATOM 0 HG22 THR A 62 -2.468 -12.011 1.455 1.00 1.00 H new ATOM 0 HG23 THR A 62 -1.072 -11.376 2.359 1.00 1.00 H new ATOM 986 N PHE A 63 -2.581 -10.286 -0.646 1.00 1.00 N ATOM 987 CA PHE A 63 -3.116 -10.819 -1.897 1.00 1.00 C ATOM 988 C PHE A 63 -2.264 -12.029 -2.315 1.00 1.00 C ATOM 989 O PHE A 63 -1.168 -12.269 -1.808 1.00 1.00 O ATOM 990 CB PHE A 63 -3.255 -9.755 -2.997 1.00 1.00 C ATOM 991 CG PHE A 63 -1.953 -9.160 -3.482 1.00 1.00 C ATOM 992 CD1 PHE A 63 -1.225 -9.802 -4.494 1.00 1.00 C ATOM 993 CD2 PHE A 63 -1.457 -7.967 -2.946 1.00 1.00 C ATOM 994 CE1 PHE A 63 -0.029 -9.264 -4.965 1.00 1.00 C ATOM 995 CE2 PHE A 63 -0.266 -7.423 -3.430 1.00 1.00 C ATOM 996 CZ PHE A 63 0.444 -8.068 -4.441 1.00 1.00 C ATOM 0 H PHE A 63 -1.581 -10.441 -0.520 1.00 1.00 H new ATOM 0 HA PHE A 63 -4.141 -11.153 -1.735 1.00 1.00 H new ATOM 0 HB2 PHE A 63 -3.772 -10.199 -3.847 1.00 1.00 H new ATOM 0 HB3 PHE A 63 -3.888 -8.950 -2.624 1.00 1.00 H new ATOM 0 HD1 PHE A 63 -1.596 -10.725 -4.914 1.00 1.00 H new ATOM 0 HD2 PHE A 63 -1.997 -7.466 -2.156 1.00 1.00 H new ATOM 0 HE1 PHE A 63 0.529 -9.776 -5.735 1.00 1.00 H new ATOM 0 HE2 PHE A 63 0.107 -6.497 -3.019 1.00 1.00 H new ATOM 0 HZ PHE A 63 1.361 -7.638 -4.817 1.00 1.00 H new ATOM 1006 N THR A 64 -2.816 -12.831 -3.286 1.00 1.00 N ATOM 1007 CA THR A 64 -2.161 -14.065 -3.730 1.00 1.00 C ATOM 1008 C THR A 64 -1.829 -13.958 -5.226 1.00 1.00 C ATOM 1009 O THR A 64 -2.620 -13.497 -6.046 1.00 1.00 O ATOM 1010 CB THR A 64 -3.062 -15.302 -3.511 1.00 1.00 C ATOM 1011 OG1 THR A 64 -3.877 -15.171 -2.338 1.00 1.00 O ATOM 1012 CG2 THR A 64 -2.260 -16.593 -3.385 1.00 1.00 C ATOM 0 H THR A 64 -3.699 -12.630 -3.756 1.00 1.00 H new ATOM 0 HA THR A 64 -1.253 -14.189 -3.139 1.00 1.00 H new ATOM 0 HB THR A 64 -3.694 -15.355 -4.398 1.00 1.00 H new ATOM 0 HG1 THR A 64 -3.303 -15.101 -1.547 1.00 1.00 H new ATOM 0 HG21 THR A 64 -2.941 -17.431 -3.233 1.00 1.00 H new ATOM 0 HG22 THR A 64 -1.685 -16.754 -4.297 1.00 1.00 H new ATOM 0 HG23 THR A 64 -1.581 -16.518 -2.536 1.00 1.00 H new ATOM 1020 N ILE A 65 -0.606 -14.474 -5.591 1.00 1.00 N ATOM 1021 CA ILE A 65 -0.239 -14.635 -6.998 1.00 1.00 C ATOM 1022 C ILE A 65 -0.954 -15.903 -7.518 1.00 1.00 C ATOM 1023 O ILE A 65 -0.973 -16.960 -6.887 1.00 1.00 O ATOM 1024 CB ILE A 65 1.290 -14.828 -7.147 1.00 1.00 C ATOM 1025 CG1 ILE A 65 2.110 -13.608 -6.680 1.00 1.00 C ATOM 1026 CG2 ILE A 65 1.695 -15.264 -8.558 1.00 1.00 C ATOM 1027 CD1 ILE A 65 1.882 -12.315 -7.445 1.00 1.00 C ATOM 0 H ILE A 65 0.110 -14.772 -4.929 1.00 1.00 H new ATOM 0 HA ILE A 65 -0.530 -13.748 -7.560 1.00 1.00 H new ATOM 0 HB ILE A 65 1.538 -15.646 -6.470 1.00 1.00 H new ATOM 0 HG12 ILE A 65 1.888 -13.428 -5.628 1.00 1.00 H new ATOM 0 HG13 ILE A 65 3.168 -13.862 -6.743 1.00 1.00 H new ATOM 0 HG21 ILE A 65 2.777 -15.384 -8.605 1.00 1.00 H new ATOM 0 HG22 ILE A 65 1.214 -16.212 -8.798 1.00 1.00 H new ATOM 0 HG23 ILE A 65 1.383 -14.506 -9.277 1.00 1.00 H new ATOM 0 HD11 ILE A 65 2.512 -11.529 -7.027 1.00 1.00 H new ATOM 0 HD12 ILE A 65 2.135 -12.464 -8.495 1.00 1.00 H new ATOM 0 HD13 ILE A 65 0.835 -12.023 -7.362 1.00 1.00 H new ATOM 1039 N GLY A 66 -1.487 -15.799 -8.785 1.00 1.00 N ATOM 1040 CA GLY A 66 -2.062 -16.960 -9.441 1.00 1.00 C ATOM 1041 C GLY A 66 -3.449 -17.333 -8.917 1.00 1.00 C ATOM 1042 O GLY A 66 -3.869 -18.489 -8.944 1.00 1.00 O ATOM 0 H GLY A 66 -1.516 -14.938 -9.331 1.00 1.00 H new ATOM 0 HA2 GLY A 66 -2.127 -16.767 -10.512 1.00 1.00 H new ATOM 0 HA3 GLY A 66 -1.392 -17.810 -9.310 1.00 1.00 H new ATOM 1046 N LYS A 67 -4.227 -16.271 -8.528 1.00 1.00 N ATOM 1047 CA LYS A 67 -5.528 -16.461 -7.908 1.00 1.00 C ATOM 1048 C LYS A 67 -6.377 -15.202 -8.192 1.00 1.00 C ATOM 1049 O LYS A 67 -5.898 -14.157 -8.641 1.00 1.00 O ATOM 1050 CB LYS A 67 -5.363 -16.669 -6.390 1.00 1.00 C ATOM 1051 CG LYS A 67 -6.343 -17.688 -5.787 1.00 1.00 C ATOM 1052 CD LYS A 67 -6.572 -17.411 -4.296 1.00 1.00 C ATOM 1053 CE LYS A 67 -7.531 -18.372 -3.611 1.00 1.00 C ATOM 1054 NZ LYS A 67 -8.852 -18.369 -4.244 1.00 1.00 N ATOM 0 H LYS A 67 -3.955 -15.295 -8.643 1.00 1.00 H new ATOM 0 HA LYS A 67 -6.021 -17.344 -8.316 1.00 1.00 H new ATOM 0 HB2 LYS A 67 -4.344 -16.998 -6.188 1.00 1.00 H new ATOM 0 HB3 LYS A 67 -5.495 -15.711 -5.886 1.00 1.00 H new ATOM 0 HG2 LYS A 67 -7.293 -17.644 -6.319 1.00 1.00 H new ATOM 0 HG3 LYS A 67 -5.951 -18.697 -5.918 1.00 1.00 H new ATOM 0 HD2 LYS A 67 -5.612 -17.449 -3.782 1.00 1.00 H new ATOM 0 HD3 LYS A 67 -6.954 -16.396 -4.183 1.00 1.00 H new ATOM 0 HE2 LYS A 67 -7.117 -19.380 -3.640 1.00 1.00 H new ATOM 0 HE3 LYS A 67 -7.631 -18.098 -2.561 1.00 1.00 H new ATOM 0 HZ1 LYS A 67 -9.583 -18.538 -3.523 1.00 1.00 H new ATOM 0 HZ2 LYS A 67 -9.018 -17.447 -4.696 1.00 1.00 H new ATOM 0 HZ3 LYS A 67 -8.894 -19.119 -4.963 1.00 1.00 H new ATOM 1068 N GLU A 68 -7.714 -15.342 -7.867 1.00 1.00 N ATOM 1069 CA GLU A 68 -8.519 -14.169 -7.606 1.00 1.00 C ATOM 1070 C GLU A 68 -8.308 -13.746 -6.138 1.00 1.00 C ATOM 1071 O GLU A 68 -7.760 -14.457 -5.299 1.00 1.00 O ATOM 1072 CB GLU A 68 -9.999 -14.385 -7.957 1.00 1.00 C ATOM 1073 CG GLU A 68 -10.644 -15.666 -7.427 1.00 1.00 C ATOM 1074 CD GLU A 68 -10.717 -15.722 -5.911 1.00 1.00 C ATOM 1075 OE1 GLU A 68 -11.456 -14.858 -5.357 1.00 1.00 O ATOM 1076 OE2 GLU A 68 -10.037 -16.646 -5.372 1.00 1.00 O ATOM 0 H GLU A 68 -8.205 -16.233 -7.791 1.00 1.00 H new ATOM 0 HA GLU A 68 -8.195 -13.357 -8.257 1.00 1.00 H new ATOM 0 HB2 GLU A 68 -10.567 -13.535 -7.579 1.00 1.00 H new ATOM 0 HB3 GLU A 68 -10.097 -14.377 -9.043 1.00 1.00 H new ATOM 0 HG2 GLU A 68 -11.651 -15.753 -7.835 1.00 1.00 H new ATOM 0 HG3 GLU A 68 -10.078 -16.525 -7.788 1.00 1.00 H new ATOM 1083 N CYS A 69 -8.808 -12.515 -5.839 1.00 1.00 N ATOM 1084 CA CYS A 69 -8.867 -11.985 -4.486 1.00 1.00 C ATOM 1085 C CYS A 69 -9.994 -10.946 -4.452 1.00 1.00 C ATOM 1086 O CYS A 69 -10.477 -10.461 -5.478 1.00 1.00 O ATOM 1087 CB CYS A 69 -7.538 -11.400 -3.989 1.00 1.00 C ATOM 1088 SG CYS A 69 -6.763 -10.234 -5.155 1.00 1.00 S ATOM 0 H CYS A 69 -9.177 -11.877 -6.544 1.00 1.00 H new ATOM 0 HA CYS A 69 -9.069 -12.804 -3.796 1.00 1.00 H new ATOM 0 HB2 CYS A 69 -7.709 -10.891 -3.041 1.00 1.00 H new ATOM 0 HB3 CYS A 69 -6.844 -12.217 -3.792 1.00 1.00 H new ATOM 0 HG CYS A 69 -5.769 -9.633 -4.571 1.00 1.00 H new ATOM 1094 N ASP A 70 -10.405 -10.626 -3.183 1.00 1.00 N ATOM 1095 CA ASP A 70 -11.309 -9.512 -2.905 1.00 1.00 C ATOM 1096 C ASP A 70 -10.416 -8.450 -2.245 1.00 1.00 C ATOM 1097 O ASP A 70 -9.769 -8.704 -1.228 1.00 1.00 O ATOM 1098 CB ASP A 70 -12.396 -9.903 -1.918 1.00 1.00 C ATOM 1099 CG ASP A 70 -13.556 -10.483 -2.683 1.00 1.00 C ATOM 1100 OD1 ASP A 70 -13.341 -11.523 -3.369 1.00 1.00 O ATOM 1101 OD2 ASP A 70 -14.661 -9.883 -2.525 1.00 1.00 O ATOM 0 H ASP A 70 -10.111 -11.138 -2.351 1.00 1.00 H new ATOM 0 HA ASP A 70 -11.805 -9.176 -3.815 1.00 1.00 H new ATOM 0 HB2 ASP A 70 -12.013 -10.631 -1.203 1.00 1.00 H new ATOM 0 HB3 ASP A 70 -12.718 -9.033 -1.346 1.00 1.00 H new ATOM 1106 N ILE A 71 -10.334 -7.251 -2.910 1.00 1.00 N ATOM 1107 CA ILE A 71 -9.759 -6.079 -2.258 1.00 1.00 C ATOM 1108 C ILE A 71 -10.966 -5.218 -1.826 1.00 1.00 C ATOM 1109 O ILE A 71 -11.984 -5.128 -2.519 1.00 1.00 O ATOM 1110 CB ILE A 71 -8.854 -5.272 -3.215 1.00 1.00 C ATOM 1111 CG1 ILE A 71 -7.852 -6.140 -4.008 1.00 1.00 C ATOM 1112 CG2 ILE A 71 -8.125 -4.165 -2.443 1.00 1.00 C ATOM 1113 CD1 ILE A 71 -6.848 -6.909 -3.164 1.00 1.00 C ATOM 0 H ILE A 71 -10.654 -7.097 -3.866 1.00 1.00 H new ATOM 0 HA ILE A 71 -9.130 -6.374 -1.419 1.00 1.00 H new ATOM 0 HB ILE A 71 -9.513 -4.828 -3.961 1.00 1.00 H new ATOM 0 HG12 ILE A 71 -8.413 -6.852 -4.614 1.00 1.00 H new ATOM 0 HG13 ILE A 71 -7.305 -5.496 -4.697 1.00 1.00 H new ATOM 0 HG21 ILE A 71 -7.490 -3.602 -3.127 1.00 1.00 H new ATOM 0 HG22 ILE A 71 -8.856 -3.494 -1.992 1.00 1.00 H new ATOM 0 HG23 ILE A 71 -7.510 -4.611 -1.661 1.00 1.00 H new ATOM 0 HD11 ILE A 71 -6.191 -7.486 -3.815 1.00 1.00 H new ATOM 0 HD12 ILE A 71 -6.253 -6.208 -2.578 1.00 1.00 H new ATOM 0 HD13 ILE A 71 -7.379 -7.585 -2.493 1.00 1.00 H new ATOM 1125 N GLU A 72 -10.808 -4.532 -0.645 1.00 1.00 N ATOM 1126 CA GLU A 72 -11.886 -3.761 -0.052 1.00 1.00 C ATOM 1127 C GLU A 72 -11.293 -2.462 0.524 1.00 1.00 C ATOM 1128 O GLU A 72 -10.083 -2.251 0.617 1.00 1.00 O ATOM 1129 CB GLU A 72 -12.621 -4.550 1.042 1.00 1.00 C ATOM 1130 CG GLU A 72 -13.150 -5.896 0.552 1.00 1.00 C ATOM 1131 CD GLU A 72 -14.318 -6.487 1.327 1.00 1.00 C ATOM 1132 OE1 GLU A 72 -14.842 -5.776 2.217 1.00 1.00 O ATOM 1133 OE2 GLU A 72 -14.681 -7.633 0.913 1.00 1.00 O ATOM 0 H GLU A 72 -9.939 -4.516 -0.111 1.00 1.00 H new ATOM 0 HA GLU A 72 -12.623 -3.533 -0.822 1.00 1.00 H new ATOM 0 HB2 GLU A 72 -11.944 -4.715 1.880 1.00 1.00 H new ATOM 0 HB3 GLU A 72 -13.453 -3.953 1.416 1.00 1.00 H new ATOM 0 HG2 GLU A 72 -13.452 -5.786 -0.489 1.00 1.00 H new ATOM 0 HG3 GLU A 72 -12.329 -6.613 0.572 1.00 1.00 H new ATOM 1140 N THR A 73 -12.236 -1.572 0.983 1.00 1.00 N ATOM 1141 CA THR A 73 -11.928 -0.294 1.618 1.00 1.00 C ATOM 1142 C THR A 73 -11.702 0.789 0.529 1.00 1.00 C ATOM 1143 O THR A 73 -12.439 0.845 -0.463 1.00 1.00 O ATOM 1144 CB THR A 73 -10.887 -0.337 2.757 1.00 1.00 C ATOM 1145 OG1 THR A 73 -9.546 -0.344 2.264 1.00 1.00 O ATOM 1146 CG2 THR A 73 -11.092 -1.472 3.751 1.00 1.00 C ATOM 0 H THR A 73 -13.238 -1.749 0.909 1.00 1.00 H new ATOM 0 HA THR A 73 -12.806 0.002 2.192 1.00 1.00 H new ATOM 0 HB THR A 73 -11.053 0.589 3.308 1.00 1.00 H new ATOM 0 HG1 THR A 73 -9.363 -1.201 1.825 1.00 1.00 H new ATOM 0 HG21 THR A 73 -10.318 -1.429 4.517 1.00 1.00 H new ATOM 0 HG22 THR A 73 -12.072 -1.374 4.219 1.00 1.00 H new ATOM 0 HG23 THR A 73 -11.033 -2.427 3.230 1.00 1.00 H new ATOM 1154 N ILE A 74 -10.791 1.796 0.806 1.00 1.00 N ATOM 1155 CA ILE A 74 -10.376 2.779 -0.219 1.00 1.00 C ATOM 1156 C ILE A 74 -11.640 3.494 -0.792 1.00 1.00 C ATOM 1157 O ILE A 74 -11.816 3.786 -1.974 1.00 1.00 O ATOM 1158 CB ILE A 74 -9.371 2.201 -1.250 1.00 1.00 C ATOM 1159 CG1 ILE A 74 -8.131 1.571 -0.556 1.00 1.00 C ATOM 1160 CG2 ILE A 74 -8.885 3.237 -2.282 1.00 1.00 C ATOM 1161 CD1 ILE A 74 -7.295 2.520 0.304 1.00 1.00 C ATOM 0 H ILE A 74 -10.351 1.929 1.717 1.00 1.00 H new ATOM 0 HA ILE A 74 -9.776 3.564 0.241 1.00 1.00 H new ATOM 0 HB ILE A 74 -9.931 1.431 -1.781 1.00 1.00 H new ATOM 0 HG12 ILE A 74 -8.469 0.746 0.071 1.00 1.00 H new ATOM 0 HG13 ILE A 74 -7.486 1.144 -1.324 1.00 1.00 H new ATOM 0 HG21 ILE A 74 -8.185 2.764 -2.971 1.00 1.00 H new ATOM 0 HG22 ILE A 74 -9.738 3.623 -2.840 1.00 1.00 H new ATOM 0 HG23 ILE A 74 -8.387 4.058 -1.766 1.00 1.00 H new ATOM 0 HD11 ILE A 74 -6.457 1.975 0.739 1.00 1.00 H new ATOM 0 HD12 ILE A 74 -6.916 3.334 -0.315 1.00 1.00 H new ATOM 0 HD13 ILE A 74 -7.915 2.929 1.102 1.00 1.00 H new ATOM 1173 N GLY A 75 -12.518 3.903 0.194 1.00 1.00 N ATOM 1174 CA GLY A 75 -13.776 4.578 -0.083 1.00 1.00 C ATOM 1175 C GLY A 75 -15.003 3.654 -0.079 1.00 1.00 C ATOM 1176 O GLY A 75 -16.113 4.064 -0.405 1.00 1.00 O ATOM 0 H GLY A 75 -12.343 3.759 1.189 1.00 1.00 H new ATOM 0 HA2 GLY A 75 -13.925 5.363 0.658 1.00 1.00 H new ATOM 0 HA3 GLY A 75 -13.707 5.066 -1.055 1.00 1.00 H new ATOM 1180 N GLY A 76 -14.771 2.366 0.350 1.00 1.00 N ATOM 1181 CA GLY A 76 -15.857 1.399 0.471 1.00 1.00 C ATOM 1182 C GLY A 76 -16.168 0.624 -0.814 1.00 1.00 C ATOM 1183 O GLY A 76 -17.258 0.093 -1.014 1.00 1.00 O ATOM 0 H GLY A 76 -13.852 2.005 0.606 1.00 1.00 H new ATOM 0 HA2 GLY A 76 -15.606 0.687 1.257 1.00 1.00 H new ATOM 0 HA3 GLY A 76 -16.758 1.922 0.791 1.00 1.00 H new ATOM 1187 N LYS A 77 -15.109 0.468 -1.679 1.00 1.00 N ATOM 1188 CA LYS A 77 -15.262 -0.287 -2.914 1.00 1.00 C ATOM 1189 C LYS A 77 -14.764 -1.712 -2.630 1.00 1.00 C ATOM 1190 O LYS A 77 -13.571 -1.951 -2.451 1.00 1.00 O ATOM 1191 CB LYS A 77 -14.428 0.333 -4.044 1.00 1.00 C ATOM 1192 CG LYS A 77 -14.989 1.654 -4.586 1.00 1.00 C ATOM 1193 CD LYS A 77 -14.978 2.797 -3.565 1.00 1.00 C ATOM 1194 CE LYS A 77 -14.532 4.129 -4.139 1.00 1.00 C ATOM 1195 NZ LYS A 77 -13.068 4.133 -4.250 1.00 1.00 N ATOM 0 H LYS A 77 -14.177 0.854 -1.525 1.00 1.00 H new ATOM 0 HA LYS A 77 -16.304 -0.281 -3.233 1.00 1.00 H new ATOM 0 HB2 LYS A 77 -13.414 0.503 -3.681 1.00 1.00 H new ATOM 0 HB3 LYS A 77 -14.358 -0.382 -4.863 1.00 1.00 H new ATOM 0 HG2 LYS A 77 -14.409 1.953 -5.459 1.00 1.00 H new ATOM 0 HG3 LYS A 77 -16.012 1.492 -4.924 1.00 1.00 H new ATOM 0 HD2 LYS A 77 -15.979 2.909 -3.148 1.00 1.00 H new ATOM 0 HD3 LYS A 77 -14.318 2.528 -2.740 1.00 1.00 H new ATOM 0 HE2 LYS A 77 -14.985 4.288 -5.118 1.00 1.00 H new ATOM 0 HE3 LYS A 77 -14.864 4.946 -3.498 1.00 1.00 H new ATOM 0 HZ1 LYS A 77 -12.739 5.096 -4.463 1.00 1.00 H new ATOM 0 HZ2 LYS A 77 -12.651 3.815 -3.352 1.00 1.00 H new ATOM 0 HZ3 LYS A 77 -12.776 3.490 -5.014 1.00 1.00 H new ATOM 1209 N LYS A 78 -15.755 -2.659 -2.514 1.00 1.00 N ATOM 1210 CA LYS A 78 -15.444 -4.092 -2.532 1.00 1.00 C ATOM 1211 C LYS A 78 -15.290 -4.447 -4.021 1.00 1.00 C ATOM 1212 O LYS A 78 -16.203 -4.286 -4.832 1.00 1.00 O ATOM 1213 CB LYS A 78 -16.577 -4.886 -1.877 1.00 1.00 C ATOM 1214 CG LYS A 78 -16.367 -6.408 -1.910 1.00 1.00 C ATOM 1215 CD LYS A 78 -17.345 -7.101 -0.953 1.00 1.00 C ATOM 1216 CE LYS A 78 -17.262 -8.622 -0.930 1.00 1.00 C ATOM 1217 NZ LYS A 78 -15.933 -9.094 -0.587 1.00 1.00 N ATOM 0 H LYS A 78 -16.746 -2.441 -2.410 1.00 1.00 H new ATOM 0 HA LYS A 78 -14.540 -4.333 -1.972 1.00 1.00 H new ATOM 0 HB2 LYS A 78 -16.681 -4.565 -0.840 1.00 1.00 H new ATOM 0 HB3 LYS A 78 -17.514 -4.647 -2.380 1.00 1.00 H new ATOM 0 HG2 LYS A 78 -16.514 -6.780 -2.924 1.00 1.00 H new ATOM 0 HG3 LYS A 78 -15.341 -6.647 -1.628 1.00 1.00 H new ATOM 0 HD2 LYS A 78 -17.167 -6.728 0.056 1.00 1.00 H new ATOM 0 HD3 LYS A 78 -18.360 -6.813 -1.225 1.00 1.00 H new ATOM 0 HE2 LYS A 78 -17.981 -9.012 -0.210 1.00 1.00 H new ATOM 0 HE3 LYS A 78 -17.544 -9.014 -1.907 1.00 1.00 H new ATOM 0 HZ1 LYS A 78 -16.003 -10.025 -0.129 1.00 1.00 H new ATOM 0 HZ2 LYS A 78 -15.360 -9.175 -1.451 1.00 1.00 H new ATOM 0 HZ3 LYS A 78 -15.483 -8.420 0.065 1.00 1.00 H new ATOM 1231 N PHE A 79 -14.028 -4.839 -4.386 1.00 1.00 N ATOM 1232 CA PHE A 79 -13.662 -5.161 -5.757 1.00 1.00 C ATOM 1233 C PHE A 79 -13.039 -6.559 -5.746 1.00 1.00 C ATOM 1234 O PHE A 79 -12.045 -6.823 -5.065 1.00 1.00 O ATOM 1235 CB PHE A 79 -12.597 -4.174 -6.284 1.00 1.00 C ATOM 1236 CG PHE A 79 -13.061 -3.318 -7.443 1.00 1.00 C ATOM 1237 CD1 PHE A 79 -14.177 -2.484 -7.313 1.00 1.00 C ATOM 1238 CD2 PHE A 79 -12.353 -3.324 -8.654 1.00 1.00 C ATOM 1239 CE1 PHE A 79 -14.587 -1.684 -8.379 1.00 1.00 C ATOM 1240 CE2 PHE A 79 -12.765 -2.520 -9.720 1.00 1.00 C ATOM 1241 CZ PHE A 79 -13.882 -1.701 -9.582 1.00 1.00 C ATOM 0 H PHE A 79 -13.258 -4.932 -3.723 1.00 1.00 H new ATOM 0 HA PHE A 79 -14.545 -5.105 -6.393 1.00 1.00 H new ATOM 0 HB2 PHE A 79 -12.287 -3.522 -5.467 1.00 1.00 H new ATOM 0 HB3 PHE A 79 -11.717 -4.738 -6.593 1.00 1.00 H new ATOM 0 HD1 PHE A 79 -14.724 -2.460 -6.382 1.00 1.00 H new ATOM 0 HD2 PHE A 79 -11.483 -3.955 -8.763 1.00 1.00 H new ATOM 0 HE1 PHE A 79 -15.454 -1.049 -8.272 1.00 1.00 H new ATOM 0 HE2 PHE A 79 -12.217 -2.534 -10.651 1.00 1.00 H new ATOM 0 HZ PHE A 79 -14.202 -1.080 -10.405 1.00 1.00 H new ATOM 1251 N LYS A 80 -13.634 -7.480 -6.586 1.00 1.00 N ATOM 1252 CA LYS A 80 -12.879 -8.663 -6.936 1.00 1.00 C ATOM 1253 C LYS A 80 -11.810 -8.289 -7.979 1.00 1.00 C ATOM 1254 O LYS A 80 -11.937 -7.368 -8.786 1.00 1.00 O ATOM 1255 CB LYS A 80 -13.751 -9.771 -7.517 1.00 1.00 C ATOM 1256 CG LYS A 80 -14.546 -10.486 -6.425 1.00 1.00 C ATOM 1257 CD LYS A 80 -14.710 -11.970 -6.740 1.00 1.00 C ATOM 1258 CE LYS A 80 -13.452 -12.807 -6.523 1.00 1.00 C ATOM 1259 NZ LYS A 80 -13.292 -13.201 -5.130 1.00 1.00 N ATOM 0 H LYS A 80 -14.568 -7.406 -6.989 1.00 1.00 H new ATOM 0 HA LYS A 80 -12.429 -9.039 -6.017 1.00 1.00 H new ATOM 0 HB2 LYS A 80 -14.437 -9.349 -8.251 1.00 1.00 H new ATOM 0 HB3 LYS A 80 -13.124 -10.491 -8.043 1.00 1.00 H new ATOM 0 HG2 LYS A 80 -14.039 -10.369 -5.467 1.00 1.00 H new ATOM 0 HG3 LYS A 80 -15.528 -10.023 -6.324 1.00 1.00 H new ATOM 0 HD2 LYS A 80 -15.511 -12.373 -6.120 1.00 1.00 H new ATOM 0 HD3 LYS A 80 -15.026 -12.075 -7.778 1.00 1.00 H new ATOM 0 HE2 LYS A 80 -13.497 -13.698 -7.149 1.00 1.00 H new ATOM 0 HE3 LYS A 80 -12.579 -12.238 -6.841 1.00 1.00 H new ATOM 0 HZ1 LYS A 80 -12.426 -13.767 -5.027 1.00 1.00 H new ATOM 0 HZ2 LYS A 80 -13.223 -12.351 -4.535 1.00 1.00 H new ATOM 0 HZ3 LYS A 80 -14.113 -13.766 -4.833 1.00 1.00 H new ATOM 1273 N ALA A 81 -10.736 -9.143 -7.969 1.00 1.00 N ATOM 1274 CA ALA A 81 -9.540 -8.887 -8.752 1.00 1.00 C ATOM 1275 C ALA A 81 -8.811 -10.217 -8.976 1.00 1.00 C ATOM 1276 O ALA A 81 -8.869 -11.138 -8.166 1.00 1.00 O ATOM 1277 CB ALA A 81 -8.622 -7.893 -8.051 1.00 1.00 C ATOM 0 H ALA A 81 -10.701 -10.003 -7.421 1.00 1.00 H new ATOM 0 HA ALA A 81 -9.825 -8.448 -9.708 1.00 1.00 H new ATOM 0 HB1 ALA A 81 -7.736 -7.722 -8.662 1.00 1.00 H new ATOM 0 HB2 ALA A 81 -9.150 -6.950 -7.906 1.00 1.00 H new ATOM 0 HB3 ALA A 81 -8.323 -8.294 -7.083 1.00 1.00 H new ATOM 1283 N THR A 82 -8.096 -10.291 -10.148 1.00 1.00 N ATOM 1284 CA THR A 82 -7.158 -11.388 -10.440 1.00 1.00 C ATOM 1285 C THR A 82 -5.745 -10.816 -10.315 1.00 1.00 C ATOM 1286 O THR A 82 -5.475 -9.672 -10.700 1.00 1.00 O ATOM 1287 CB THR A 82 -7.389 -11.905 -11.872 1.00 1.00 C ATOM 1288 OG1 THR A 82 -8.759 -12.300 -12.034 1.00 1.00 O ATOM 1289 CG2 THR A 82 -6.520 -13.102 -12.236 1.00 1.00 C ATOM 0 H THR A 82 -8.164 -9.597 -10.892 1.00 1.00 H new ATOM 0 HA THR A 82 -7.303 -12.219 -9.750 1.00 1.00 H new ATOM 0 HB THR A 82 -7.122 -11.079 -12.531 1.00 1.00 H new ATOM 0 HG1 THR A 82 -8.900 -12.626 -12.947 1.00 1.00 H new ATOM 0 HG21 THR A 82 -6.737 -13.412 -13.258 1.00 1.00 H new ATOM 0 HG22 THR A 82 -5.469 -12.826 -12.156 1.00 1.00 H new ATOM 0 HG23 THR A 82 -6.732 -13.926 -11.555 1.00 1.00 H new ATOM 1297 N VAL A 83 -4.796 -11.668 -9.803 1.00 1.00 N ATOM 1298 CA VAL A 83 -3.395 -11.279 -9.749 1.00 1.00 C ATOM 1299 C VAL A 83 -2.537 -12.447 -10.262 1.00 1.00 C ATOM 1300 O VAL A 83 -2.656 -13.606 -9.870 1.00 1.00 O ATOM 1301 CB VAL A 83 -2.918 -10.842 -8.351 1.00 1.00 C ATOM 1302 CG1 VAL A 83 -1.527 -10.208 -8.436 1.00 1.00 C ATOM 1303 CG2 VAL A 83 -3.886 -9.870 -7.681 1.00 1.00 C ATOM 0 H VAL A 83 -4.996 -12.599 -9.437 1.00 1.00 H new ATOM 0 HA VAL A 83 -3.283 -10.400 -10.384 1.00 1.00 H new ATOM 0 HB VAL A 83 -2.877 -11.741 -7.736 1.00 1.00 H new ATOM 0 HG11 VAL A 83 -1.204 -9.904 -7.440 1.00 1.00 H new ATOM 0 HG12 VAL A 83 -0.821 -10.933 -8.841 1.00 1.00 H new ATOM 0 HG13 VAL A 83 -1.564 -9.335 -9.087 1.00 1.00 H new ATOM 0 HG21 VAL A 83 -3.503 -9.594 -6.699 1.00 1.00 H new ATOM 0 HG22 VAL A 83 -3.987 -8.976 -8.296 1.00 1.00 H new ATOM 0 HG23 VAL A 83 -4.860 -10.346 -7.569 1.00 1.00 H new ATOM 1313 N GLN A 84 -1.604 -12.068 -11.193 1.00 1.00 N ATOM 1314 CA GLN A 84 -0.626 -12.962 -11.780 1.00 1.00 C ATOM 1315 C GLN A 84 0.767 -12.339 -11.595 1.00 1.00 C ATOM 1316 O GLN A 84 0.960 -11.181 -11.226 1.00 1.00 O ATOM 1317 CB GLN A 84 -0.926 -13.167 -13.268 1.00 1.00 C ATOM 1318 CG GLN A 84 -2.073 -14.142 -13.490 1.00 1.00 C ATOM 1319 CD GLN A 84 -2.867 -13.733 -14.710 1.00 1.00 C ATOM 1320 OE1 GLN A 84 -3.951 -13.165 -14.658 1.00 1.00 O ATOM 1321 NE2 GLN A 84 -2.244 -13.967 -15.900 1.00 1.00 N ATOM 0 H GLN A 84 -1.534 -11.112 -11.542 1.00 1.00 H new ATOM 0 HA GLN A 84 -0.665 -13.935 -11.291 1.00 1.00 H new ATOM 0 HB2 GLN A 84 -1.172 -12.208 -13.723 1.00 1.00 H new ATOM 0 HB3 GLN A 84 -0.033 -13.538 -13.770 1.00 1.00 H new ATOM 0 HG2 GLN A 84 -1.684 -15.152 -13.620 1.00 1.00 H new ATOM 0 HG3 GLN A 84 -2.721 -14.161 -12.613 1.00 1.00 H new ATOM 0 HE21 GLN A 84 -1.341 -14.442 -15.918 1.00 1.00 H new ATOM 0 HE22 GLN A 84 -2.680 -13.667 -16.772 1.00 1.00 H new ATOM 1330 N MET A 85 1.778 -13.201 -11.920 1.00 1.00 N ATOM 1331 CA MET A 85 3.181 -12.795 -12.014 1.00 1.00 C ATOM 1332 C MET A 85 3.683 -13.375 -13.349 1.00 1.00 C ATOM 1333 O MET A 85 3.239 -14.440 -13.785 1.00 1.00 O ATOM 1334 CB MET A 85 3.968 -13.369 -10.831 1.00 1.00 C ATOM 1335 CG MET A 85 5.090 -12.452 -10.368 1.00 1.00 C ATOM 1336 SD MET A 85 5.922 -13.146 -8.902 1.00 1.00 S ATOM 1337 CE MET A 85 7.574 -12.471 -9.196 1.00 1.00 C ATOM 0 H MET A 85 1.624 -14.189 -12.120 1.00 1.00 H new ATOM 0 HA MET A 85 3.306 -11.713 -11.982 1.00 1.00 H new ATOM 0 HB2 MET A 85 3.286 -13.549 -10.000 1.00 1.00 H new ATOM 0 HB3 MET A 85 4.388 -14.334 -11.114 1.00 1.00 H new ATOM 0 HG2 MET A 85 5.812 -12.317 -11.173 1.00 1.00 H new ATOM 0 HG3 MET A 85 4.688 -11.467 -10.132 1.00 1.00 H new ATOM 0 HE1 MET A 85 8.244 -12.786 -8.396 1.00 1.00 H new ATOM 0 HE2 MET A 85 7.952 -12.837 -10.151 1.00 1.00 H new ATOM 0 HE3 MET A 85 7.523 -11.382 -9.219 1.00 1.00 H new ATOM 1347 N GLU A 86 4.643 -12.631 -13.992 1.00 1.00 N ATOM 1348 CA GLU A 86 5.627 -13.280 -14.865 1.00 1.00 C ATOM 1349 C GLU A 86 6.957 -13.408 -14.072 1.00 1.00 C ATOM 1350 O GLU A 86 6.951 -13.634 -12.860 1.00 1.00 O ATOM 1351 CB GLU A 86 5.608 -12.748 -16.308 1.00 1.00 C ATOM 1352 CG GLU A 86 5.560 -11.237 -16.528 1.00 1.00 C ATOM 1353 CD GLU A 86 6.898 -10.516 -16.541 1.00 1.00 C ATOM 1354 OE1 GLU A 86 7.827 -11.043 -15.870 1.00 1.00 O ATOM 1355 OE2 GLU A 86 6.913 -9.406 -17.149 1.00 1.00 O ATOM 0 H GLU A 86 4.739 -11.619 -13.914 1.00 1.00 H new ATOM 0 HA GLU A 86 5.374 -14.312 -15.110 1.00 1.00 H new ATOM 0 HB2 GLU A 86 6.496 -13.128 -16.813 1.00 1.00 H new ATOM 0 HB3 GLU A 86 4.744 -13.184 -16.810 1.00 1.00 H new ATOM 0 HG2 GLU A 86 5.059 -11.045 -17.477 1.00 1.00 H new ATOM 0 HG3 GLU A 86 4.942 -10.797 -15.746 1.00 1.00 H new ATOM 1362 N GLY A 87 8.126 -13.352 -14.787 1.00 1.00 N ATOM 1363 CA GLY A 87 9.396 -13.532 -14.102 1.00 1.00 C ATOM 1364 C GLY A 87 9.930 -12.293 -13.371 1.00 1.00 C ATOM 1365 O GLY A 87 10.612 -12.387 -12.351 1.00 1.00 O ATOM 0 H GLY A 87 8.190 -13.190 -15.792 1.00 1.00 H new ATOM 0 HA2 GLY A 87 9.289 -14.341 -13.380 1.00 1.00 H new ATOM 0 HA3 GLY A 87 10.141 -13.852 -14.831 1.00 1.00 H new ATOM 1369 N GLY A 88 9.742 -11.100 -14.028 1.00 1.00 N ATOM 1370 CA GLY A 88 10.239 -9.840 -13.511 1.00 1.00 C ATOM 1371 C GLY A 88 9.171 -8.964 -12.845 1.00 1.00 C ATOM 1372 O GLY A 88 9.477 -7.934 -12.242 1.00 1.00 O ATOM 0 H GLY A 88 9.245 -11.018 -14.915 1.00 1.00 H new ATOM 0 HA2 GLY A 88 11.028 -10.044 -12.787 1.00 1.00 H new ATOM 0 HA3 GLY A 88 10.694 -9.280 -14.328 1.00 1.00 H new ATOM 1376 N LYS A 89 7.868 -9.375 -13.045 1.00 1.00 N ATOM 1377 CA LYS A 89 6.742 -8.454 -12.933 1.00 1.00 C ATOM 1378 C LYS A 89 5.512 -9.153 -12.326 1.00 1.00 C ATOM 1379 O LYS A 89 5.074 -10.220 -12.751 1.00 1.00 O ATOM 1380 CB LYS A 89 6.404 -7.921 -14.334 1.00 1.00 C ATOM 1381 CG LYS A 89 5.209 -6.980 -14.447 1.00 1.00 C ATOM 1382 CD LYS A 89 5.205 -6.039 -15.662 1.00 1.00 C ATOM 1383 CE LYS A 89 5.506 -6.603 -17.049 1.00 1.00 C ATOM 1384 NZ LYS A 89 6.912 -6.921 -17.259 1.00 1.00 N ATOM 0 H LYS A 89 7.605 -10.332 -13.280 1.00 1.00 H new ATOM 0 HA LYS A 89 7.017 -7.632 -12.272 1.00 1.00 H new ATOM 0 HB2 LYS A 89 7.281 -7.402 -14.720 1.00 1.00 H new ATOM 0 HB3 LYS A 89 6.226 -8.775 -14.987 1.00 1.00 H new ATOM 0 HG2 LYS A 89 4.300 -7.581 -14.475 1.00 1.00 H new ATOM 0 HG3 LYS A 89 5.163 -6.373 -13.543 1.00 1.00 H new ATOM 0 HD2 LYS A 89 4.223 -5.567 -15.707 1.00 1.00 H new ATOM 0 HD3 LYS A 89 5.930 -5.249 -15.466 1.00 1.00 H new ATOM 0 HE2 LYS A 89 4.912 -7.504 -17.202 1.00 1.00 H new ATOM 0 HE3 LYS A 89 5.189 -5.881 -17.802 1.00 1.00 H new ATOM 0 HZ1 LYS A 89 7.177 -6.691 -18.238 1.00 1.00 H new ATOM 0 HZ2 LYS A 89 7.496 -6.365 -16.602 1.00 1.00 H new ATOM 0 HZ3 LYS A 89 7.068 -7.935 -17.087 1.00 1.00 H new ATOM 1398 N VAL A 90 4.912 -8.452 -11.302 1.00 1.00 N ATOM 1399 CA VAL A 90 3.573 -8.765 -10.806 1.00 1.00 C ATOM 1400 C VAL A 90 2.587 -7.958 -11.684 1.00 1.00 C ATOM 1401 O VAL A 90 2.837 -6.830 -12.120 1.00 1.00 O ATOM 1402 CB VAL A 90 3.418 -8.357 -9.325 1.00 1.00 C ATOM 1403 CG1 VAL A 90 2.003 -8.565 -8.778 1.00 1.00 C ATOM 1404 CG2 VAL A 90 4.408 -9.080 -8.411 1.00 1.00 C ATOM 0 H VAL A 90 5.358 -7.670 -10.821 1.00 1.00 H new ATOM 0 HA VAL A 90 3.382 -9.837 -10.862 1.00 1.00 H new ATOM 0 HB VAL A 90 3.634 -7.289 -9.320 1.00 1.00 H new ATOM 0 HG11 VAL A 90 1.968 -8.257 -7.733 1.00 1.00 H new ATOM 0 HG12 VAL A 90 1.298 -7.967 -9.356 1.00 1.00 H new ATOM 0 HG13 VAL A 90 1.734 -9.619 -8.855 1.00 1.00 H new ATOM 0 HG21 VAL A 90 4.256 -8.756 -7.381 1.00 1.00 H new ATOM 0 HG22 VAL A 90 4.248 -10.156 -8.481 1.00 1.00 H new ATOM 0 HG23 VAL A 90 5.427 -8.844 -8.719 1.00 1.00 H new ATOM 1414 N VAL A 91 1.370 -8.564 -11.885 1.00 1.00 N ATOM 1415 CA VAL A 91 0.344 -8.005 -12.746 1.00 1.00 C ATOM 1416 C VAL A 91 -1.041 -8.302 -12.119 1.00 1.00 C ATOM 1417 O VAL A 91 -1.516 -9.433 -12.039 1.00 1.00 O ATOM 1418 CB VAL A 91 0.498 -8.471 -14.214 1.00 1.00 C ATOM 1419 CG1 VAL A 91 0.849 -9.948 -14.375 1.00 1.00 C ATOM 1420 CG2 VAL A 91 -0.742 -8.150 -15.050 1.00 1.00 C ATOM 0 H VAL A 91 1.104 -9.445 -11.445 1.00 1.00 H new ATOM 0 HA VAL A 91 0.452 -6.922 -12.807 1.00 1.00 H new ATOM 0 HB VAL A 91 1.349 -7.900 -14.585 1.00 1.00 H new ATOM 0 HG11 VAL A 91 0.937 -10.188 -15.435 1.00 1.00 H new ATOM 0 HG12 VAL A 91 1.796 -10.153 -13.876 1.00 1.00 H new ATOM 0 HG13 VAL A 91 0.064 -10.559 -13.929 1.00 1.00 H new ATOM 0 HG21 VAL A 91 -0.590 -8.494 -16.073 1.00 1.00 H new ATOM 0 HG22 VAL A 91 -1.609 -8.653 -14.623 1.00 1.00 H new ATOM 0 HG23 VAL A 91 -0.911 -7.073 -15.051 1.00 1.00 H new ATOM 1430 N VAL A 92 -1.661 -7.188 -11.594 1.00 1.00 N ATOM 1431 CA VAL A 92 -3.026 -7.200 -11.062 1.00 1.00 C ATOM 1432 C VAL A 92 -3.959 -6.812 -12.235 1.00 1.00 C ATOM 1433 O VAL A 92 -3.650 -5.978 -13.092 1.00 1.00 O ATOM 1434 CB VAL A 92 -3.172 -6.149 -9.933 1.00 1.00 C ATOM 1435 CG1 VAL A 92 -4.601 -6.020 -9.396 1.00 1.00 C ATOM 1436 CG2 VAL A 92 -2.215 -6.405 -8.766 1.00 1.00 C ATOM 0 H VAL A 92 -1.210 -6.275 -11.540 1.00 1.00 H new ATOM 0 HA VAL A 92 -3.272 -8.180 -10.652 1.00 1.00 H new ATOM 0 HB VAL A 92 -2.907 -5.205 -10.409 1.00 1.00 H new ATOM 0 HG11 VAL A 92 -4.627 -5.267 -8.609 1.00 1.00 H new ATOM 0 HG12 VAL A 92 -5.268 -5.723 -10.205 1.00 1.00 H new ATOM 0 HG13 VAL A 92 -4.926 -6.979 -8.992 1.00 1.00 H new ATOM 0 HG21 VAL A 92 -2.359 -5.640 -8.003 1.00 1.00 H new ATOM 0 HG22 VAL A 92 -2.417 -7.387 -8.338 1.00 1.00 H new ATOM 0 HG23 VAL A 92 -1.186 -6.371 -9.125 1.00 1.00 H new ATOM 1446 N ASN A 93 -5.199 -7.388 -12.198 1.00 1.00 N ATOM 1447 CA ASN A 93 -6.234 -7.142 -13.207 1.00 1.00 C ATOM 1448 C ASN A 93 -7.583 -7.220 -12.466 1.00 1.00 C ATOM 1449 O ASN A 93 -7.745 -7.915 -11.460 1.00 1.00 O ATOM 1450 CB ASN A 93 -6.158 -8.224 -14.275 1.00 1.00 C ATOM 1451 CG ASN A 93 -6.774 -7.796 -15.578 1.00 1.00 C ATOM 1452 OD1 ASN A 93 -6.774 -6.639 -15.986 1.00 1.00 O ATOM 1453 ND2 ASN A 93 -7.217 -8.819 -16.361 1.00 1.00 N ATOM 0 H ASN A 93 -5.491 -8.032 -11.463 1.00 1.00 H new ATOM 0 HA ASN A 93 -6.110 -6.175 -13.694 1.00 1.00 H new ATOM 0 HB2 ASN A 93 -5.115 -8.492 -14.442 1.00 1.00 H new ATOM 0 HB3 ASN A 93 -6.664 -9.120 -13.915 1.00 1.00 H new ATOM 0 HD21 ASN A 93 -7.556 -8.629 -17.304 1.00 1.00 H new ATOM 0 HD22 ASN A 93 -7.209 -9.775 -16.004 1.00 1.00 H new ATOM 1460 N SER A 94 -8.608 -6.482 -12.990 1.00 1.00 N ATOM 1461 CA SER A 94 -9.897 -6.348 -12.289 1.00 1.00 C ATOM 1462 C SER A 94 -10.918 -5.739 -13.281 1.00 1.00 C ATOM 1463 O SER A 94 -10.550 -5.203 -14.333 1.00 1.00 O ATOM 1464 CB SER A 94 -9.802 -5.483 -11.014 1.00 1.00 C ATOM 1465 OG SER A 94 -8.475 -5.266 -10.527 1.00 1.00 O ATOM 0 H SER A 94 -8.557 -5.985 -13.879 1.00 1.00 H new ATOM 0 HA SER A 94 -10.214 -7.336 -11.956 1.00 1.00 H new ATOM 0 HB2 SER A 94 -10.262 -4.515 -11.215 1.00 1.00 H new ATOM 0 HB3 SER A 94 -10.388 -5.957 -10.227 1.00 1.00 H new ATOM 0 HG SER A 94 -8.509 -4.709 -9.721 1.00 1.00 H new ATOM 1471 N PRO A 95 -12.259 -5.727 -12.957 1.00 1.00 N ATOM 1472 CA PRO A 95 -13.271 -5.491 -14.011 1.00 1.00 C ATOM 1473 C PRO A 95 -13.494 -4.009 -14.398 1.00 1.00 C ATOM 1474 O PRO A 95 -14.335 -3.651 -15.220 1.00 1.00 O ATOM 1475 CB PRO A 95 -14.553 -6.103 -13.445 1.00 1.00 C ATOM 1476 CG PRO A 95 -14.367 -5.978 -11.939 1.00 1.00 C ATOM 1477 CD PRO A 95 -12.885 -6.259 -11.753 1.00 1.00 C ATOM 0 HA PRO A 95 -12.935 -5.938 -14.947 1.00 1.00 H new ATOM 0 HB2 PRO A 95 -15.439 -5.568 -13.786 1.00 1.00 H new ATOM 0 HB3 PRO A 95 -14.671 -7.143 -13.751 1.00 1.00 H new ATOM 0 HG2 PRO A 95 -14.638 -4.985 -11.580 1.00 1.00 H new ATOM 0 HG3 PRO A 95 -14.985 -6.693 -11.395 1.00 1.00 H new ATOM 0 HD2 PRO A 95 -12.498 -5.774 -10.857 1.00 1.00 H new ATOM 0 HD3 PRO A 95 -12.694 -7.327 -11.645 1.00 1.00 H new ATOM 1485 N ASN A 96 -12.671 -3.107 -13.761 1.00 1.00 N ATOM 1486 CA ASN A 96 -12.532 -1.732 -14.256 1.00 1.00 C ATOM 1487 C ASN A 96 -11.238 -1.138 -13.658 1.00 1.00 C ATOM 1488 O ASN A 96 -11.097 0.037 -13.325 1.00 1.00 O ATOM 1489 CB ASN A 96 -13.755 -0.885 -13.908 1.00 1.00 C ATOM 1490 CG ASN A 96 -14.233 -0.197 -15.157 1.00 1.00 C ATOM 1491 OD1 ASN A 96 -13.852 0.922 -15.480 1.00 1.00 O ATOM 1492 ND2 ASN A 96 -15.083 -0.931 -15.926 1.00 1.00 N ATOM 0 H ASN A 96 -12.119 -3.320 -12.930 1.00 1.00 H new ATOM 0 HA ASN A 96 -12.467 -1.735 -15.344 1.00 1.00 H new ATOM 0 HB2 ASN A 96 -14.545 -1.513 -13.496 1.00 1.00 H new ATOM 0 HB3 ASN A 96 -13.501 -0.150 -13.145 1.00 1.00 H new ATOM 0 HD21 ASN A 96 -15.428 -0.553 -16.809 1.00 1.00 H new ATOM 0 HD22 ASN A 96 -15.375 -1.859 -15.620 1.00 1.00 H new ATOM 1499 N TYR A 97 -10.188 -2.042 -13.587 1.00 1.00 N ATOM 1500 CA TYR A 97 -8.912 -1.653 -12.986 1.00 1.00 C ATOM 1501 C TYR A 97 -7.837 -2.662 -13.427 1.00 1.00 C ATOM 1502 O TYR A 97 -8.071 -3.857 -13.599 1.00 1.00 O ATOM 1503 CB TYR A 97 -9.044 -1.658 -11.452 1.00 1.00 C ATOM 1504 CG TYR A 97 -7.881 -1.059 -10.711 1.00 1.00 C ATOM 1505 CD1 TYR A 97 -7.868 0.309 -10.435 1.00 1.00 C ATOM 1506 CD2 TYR A 97 -6.808 -1.856 -10.288 1.00 1.00 C ATOM 1507 CE1 TYR A 97 -6.789 0.876 -9.771 1.00 1.00 C ATOM 1508 CE2 TYR A 97 -5.718 -1.280 -9.639 1.00 1.00 C ATOM 1509 CZ TYR A 97 -5.707 0.089 -9.404 1.00 1.00 C ATOM 1510 OH TYR A 97 -4.653 0.707 -8.800 1.00 1.00 O ATOM 0 H TYR A 97 -10.226 -3.001 -13.933 1.00 1.00 H new ATOM 0 HA TYR A 97 -8.631 -0.651 -13.310 1.00 1.00 H new ATOM 0 HB2 TYR A 97 -9.948 -1.114 -11.179 1.00 1.00 H new ATOM 0 HB3 TYR A 97 -9.177 -2.687 -11.117 1.00 1.00 H new ATOM 0 HD1 TYR A 97 -8.699 0.928 -10.739 1.00 1.00 H new ATOM 0 HD2 TYR A 97 -6.826 -2.921 -10.466 1.00 1.00 H new ATOM 0 HE1 TYR A 97 -6.792 1.931 -9.540 1.00 1.00 H new ATOM 0 HE2 TYR A 97 -4.888 -1.893 -9.321 1.00 1.00 H new ATOM 0 HH TYR A 97 -3.961 0.045 -8.592 1.00 1.00 H new ATOM 1520 N HIS A 98 -6.576 -2.145 -13.552 1.00 1.00 N ATOM 1521 CA HIS A 98 -5.420 -2.965 -13.889 1.00 1.00 C ATOM 1522 C HIS A 98 -4.214 -2.265 -13.253 1.00 1.00 C ATOM 1523 O HIS A 98 -4.101 -1.041 -13.206 1.00 1.00 O ATOM 1524 CB HIS A 98 -5.258 -3.086 -15.406 1.00 1.00 C ATOM 1525 CG HIS A 98 -4.204 -4.042 -15.855 1.00 1.00 C ATOM 1526 ND1 HIS A 98 -4.542 -5.263 -16.470 1.00 1.00 N ATOM 1527 CD2 HIS A 98 -2.788 -3.924 -15.812 1.00 1.00 C ATOM 1528 CE1 HIS A 98 -3.338 -5.879 -16.786 1.00 1.00 C ATOM 1529 NE2 HIS A 98 -2.265 -5.059 -16.400 1.00 1.00 N ATOM 0 H HIS A 98 -6.358 -1.157 -13.419 1.00 1.00 H new ATOM 0 HA HIS A 98 -5.527 -3.983 -13.516 1.00 1.00 H new ATOM 0 HB2 HIS A 98 -6.212 -3.393 -15.834 1.00 1.00 H new ATOM 0 HB3 HIS A 98 -5.029 -2.100 -15.811 1.00 1.00 H new ATOM 0 HD1 HIS A 98 -5.480 -5.622 -16.647 1.00 1.00 H new ATOM 0 HD2 HIS A 98 -2.226 -3.100 -15.397 1.00 1.00 H new ATOM 0 HE1 HIS A 98 -3.241 -6.845 -17.259 1.00 1.00 H new ATOM 1538 N HIS A 99 -3.235 -3.106 -12.784 1.00 1.00 N ATOM 1539 CA HIS A 99 -2.027 -2.590 -12.141 1.00 1.00 C ATOM 1540 C HIS A 99 -0.907 -3.605 -12.393 1.00 1.00 C ATOM 1541 O HIS A 99 -1.122 -4.787 -12.653 1.00 1.00 O ATOM 1542 CB HIS A 99 -2.289 -2.254 -10.674 1.00 1.00 C ATOM 1543 CG HIS A 99 -1.121 -1.769 -9.902 1.00 1.00 C ATOM 1544 ND1 HIS A 99 -0.874 -0.397 -9.722 1.00 1.00 N ATOM 1545 CD2 HIS A 99 -0.135 -2.517 -9.196 1.00 1.00 C ATOM 1546 CE1 HIS A 99 0.250 -0.314 -8.914 1.00 1.00 C ATOM 1547 NE2 HIS A 99 0.704 -1.599 -8.608 1.00 1.00 N ATOM 0 H HIS A 99 -3.278 -4.123 -12.848 1.00 1.00 H new ATOM 0 HA HIS A 99 -1.708 -1.639 -12.567 1.00 1.00 H new ATOM 0 HB2 HIS A 99 -3.070 -1.495 -10.629 1.00 1.00 H new ATOM 0 HB3 HIS A 99 -2.681 -3.144 -10.182 1.00 1.00 H new ATOM 0 HD1 HIS A 99 -1.412 0.379 -10.107 1.00 1.00 H new ATOM 0 HD2 HIS A 99 -0.061 -3.593 -9.135 1.00 1.00 H new ATOM 0 HE1 HIS A 99 0.705 0.604 -8.573 1.00 1.00 H new ATOM 0 HE2 HIS A 99 1.523 -1.820 -8.042 1.00 1.00 H new ATOM 1556 N THR A 100 0.360 -3.092 -12.333 1.00 1.00 N ATOM 1557 CA THR A 100 1.484 -3.820 -12.924 1.00 1.00 C ATOM 1558 C THR A 100 2.740 -3.246 -12.272 1.00 1.00 C ATOM 1559 O THR A 100 2.826 -2.039 -12.044 1.00 1.00 O ATOM 1560 CB THR A 100 1.544 -3.653 -14.463 1.00 1.00 C ATOM 1561 OG1 THR A 100 0.465 -2.837 -14.969 1.00 1.00 O ATOM 1562 CG2 THR A 100 1.398 -4.994 -15.163 1.00 1.00 C ATOM 0 H THR A 100 0.605 -2.205 -11.893 1.00 1.00 H new ATOM 0 HA THR A 100 1.382 -4.891 -12.746 1.00 1.00 H new ATOM 0 HB THR A 100 2.509 -3.188 -14.663 1.00 1.00 H new ATOM 0 HG1 THR A 100 0.459 -1.976 -14.501 1.00 1.00 H new ATOM 0 HG21 THR A 100 1.444 -4.848 -16.242 1.00 1.00 H new ATOM 0 HG22 THR A 100 2.206 -5.657 -14.852 1.00 1.00 H new ATOM 0 HG23 THR A 100 0.440 -5.441 -14.897 1.00 1.00 H new ATOM 1570 N ALA A 101 3.711 -4.163 -11.943 1.00 1.00 N ATOM 1571 CA ALA A 101 4.777 -3.815 -11.004 1.00 1.00 C ATOM 1572 C ALA A 101 5.986 -4.731 -11.220 1.00 1.00 C ATOM 1573 O ALA A 101 5.875 -5.952 -11.088 1.00 1.00 O ATOM 1574 CB ALA A 101 4.267 -4.017 -9.578 1.00 1.00 C ATOM 0 H ALA A 101 3.758 -5.112 -12.313 1.00 1.00 H new ATOM 0 HA ALA A 101 5.070 -2.778 -11.165 1.00 1.00 H new ATOM 0 HB1 ALA A 101 5.055 -3.760 -8.870 1.00 1.00 H new ATOM 0 HB2 ALA A 101 3.402 -3.376 -9.407 1.00 1.00 H new ATOM 0 HB3 ALA A 101 3.980 -5.059 -9.439 1.00 1.00 H new ATOM 1580 N GLU A 102 7.164 -4.121 -11.576 1.00 1.00 N ATOM 1581 CA GLU A 102 8.357 -4.875 -11.979 1.00 1.00 C ATOM 1582 C GLU A 102 9.663 -4.295 -11.423 1.00 1.00 C ATOM 1583 O GLU A 102 9.768 -3.126 -11.058 1.00 1.00 O ATOM 1584 CB GLU A 102 8.419 -5.057 -13.491 1.00 1.00 C ATOM 1585 CG GLU A 102 8.632 -3.782 -14.305 1.00 1.00 C ATOM 1586 CD GLU A 102 8.153 -4.018 -15.734 1.00 1.00 C ATOM 1587 OE1 GLU A 102 8.335 -5.181 -16.213 1.00 1.00 O ATOM 1588 OE2 GLU A 102 7.521 -3.063 -16.260 1.00 1.00 O ATOM 0 H GLU A 102 7.292 -3.109 -11.585 1.00 1.00 H new ATOM 0 HA GLU A 102 8.255 -5.861 -11.526 1.00 1.00 H new ATOM 0 HB2 GLU A 102 9.226 -5.752 -13.722 1.00 1.00 H new ATOM 0 HB3 GLU A 102 7.491 -5.525 -13.820 1.00 1.00 H new ATOM 0 HG2 GLU A 102 8.084 -2.953 -13.857 1.00 1.00 H new ATOM 0 HG3 GLU A 102 9.686 -3.506 -14.302 1.00 1.00 H new ATOM 1595 N ILE A 103 10.690 -5.208 -11.326 1.00 1.00 N ATOM 1596 CA ILE A 103 11.958 -4.902 -10.665 1.00 1.00 C ATOM 1597 C ILE A 103 13.091 -4.693 -11.698 1.00 1.00 C ATOM 1598 O ILE A 103 13.279 -5.460 -12.638 1.00 1.00 O ATOM 1599 CB ILE A 103 12.333 -6.036 -9.670 1.00 1.00 C ATOM 1600 CG1 ILE A 103 11.289 -6.177 -8.543 1.00 1.00 C ATOM 1601 CG2 ILE A 103 13.736 -5.883 -9.073 1.00 1.00 C ATOM 1602 CD1 ILE A 103 11.319 -5.074 -7.497 1.00 1.00 C ATOM 0 H ILE A 103 10.639 -6.154 -11.705 1.00 1.00 H new ATOM 0 HA ILE A 103 11.835 -3.972 -10.110 1.00 1.00 H new ATOM 0 HB ILE A 103 12.336 -6.950 -10.264 1.00 1.00 H new ATOM 0 HG12 ILE A 103 10.295 -6.206 -8.990 1.00 1.00 H new ATOM 0 HG13 ILE A 103 11.442 -7.134 -8.044 1.00 1.00 H new ATOM 0 HG21 ILE A 103 13.932 -6.708 -8.388 1.00 1.00 H new ATOM 0 HG22 ILE A 103 14.475 -5.893 -9.874 1.00 1.00 H new ATOM 0 HG23 ILE A 103 13.800 -4.939 -8.532 1.00 1.00 H new ATOM 0 HD11 ILE A 103 10.549 -5.262 -6.748 1.00 1.00 H new ATOM 0 HD12 ILE A 103 12.297 -5.056 -7.016 1.00 1.00 H new ATOM 0 HD13 ILE A 103 11.132 -4.113 -7.976 1.00 1.00 H new ATOM 1614 N VAL A 104 13.918 -3.623 -11.409 1.00 1.00 N ATOM 1615 CA VAL A 104 15.181 -3.378 -12.110 1.00 1.00 C ATOM 1616 C VAL A 104 16.287 -3.371 -11.013 1.00 1.00 C ATOM 1617 O VAL A 104 16.478 -4.330 -10.259 1.00 1.00 O ATOM 1618 CB VAL A 104 15.100 -2.170 -13.076 1.00 1.00 C ATOM 1619 CG1 VAL A 104 16.340 -2.089 -13.978 1.00 1.00 C ATOM 1620 CG2 VAL A 104 13.860 -2.236 -13.979 1.00 1.00 C ATOM 0 H VAL A 104 13.707 -2.932 -10.689 1.00 1.00 H new ATOM 0 HA VAL A 104 15.441 -4.163 -12.821 1.00 1.00 H new ATOM 0 HB VAL A 104 15.040 -1.285 -12.442 1.00 1.00 H new ATOM 0 HG11 VAL A 104 16.250 -1.230 -14.643 1.00 1.00 H new ATOM 0 HG12 VAL A 104 17.232 -1.979 -13.361 1.00 1.00 H new ATOM 0 HG13 VAL A 104 16.419 -3.000 -14.571 1.00 1.00 H new ATOM 0 HG21 VAL A 104 13.844 -1.369 -14.640 1.00 1.00 H new ATOM 0 HG22 VAL A 104 13.893 -3.147 -14.577 1.00 1.00 H new ATOM 0 HG23 VAL A 104 12.961 -2.239 -13.363 1.00 1.00 H new ATOM 1630 N ASP A 105 16.971 -2.210 -10.798 1.00 1.00 N ATOM 1631 CA ASP A 105 18.134 -2.034 -9.899 1.00 1.00 C ATOM 1632 C ASP A 105 17.694 -1.891 -8.414 1.00 1.00 C ATOM 1633 O ASP A 105 18.106 -1.038 -7.628 1.00 1.00 O ATOM 1634 CB ASP A 105 19.003 -0.853 -10.335 1.00 1.00 C ATOM 1635 CG ASP A 105 18.148 0.401 -10.368 1.00 1.00 C ATOM 1636 OD1 ASP A 105 17.226 0.404 -11.230 1.00 1.00 O ATOM 1637 OD2 ASP A 105 18.384 1.280 -9.487 1.00 1.00 O ATOM 0 H ASP A 105 16.712 -1.342 -11.268 1.00 1.00 H new ATOM 0 HA ASP A 105 18.740 -2.937 -9.975 1.00 1.00 H new ATOM 0 HB2 ASP A 105 19.836 -0.723 -9.644 1.00 1.00 H new ATOM 0 HB3 ASP A 105 19.431 -1.043 -11.319 1.00 1.00 H new ATOM 1642 N GLY A 106 16.767 -2.830 -8.009 1.00 1.00 N ATOM 1643 CA GLY A 106 16.015 -2.657 -6.785 1.00 1.00 C ATOM 1644 C GLY A 106 15.010 -1.495 -6.886 1.00 1.00 C ATOM 1645 O GLY A 106 14.322 -1.143 -5.930 1.00 1.00 O ATOM 0 H GLY A 106 16.552 -3.684 -8.524 1.00 1.00 H new ATOM 0 HA2 GLY A 106 15.481 -3.579 -6.554 1.00 1.00 H new ATOM 0 HA3 GLY A 106 16.703 -2.471 -5.960 1.00 1.00 H new ATOM 1649 N LYS A 107 14.956 -0.900 -8.123 1.00 1.00 N ATOM 1650 CA LYS A 107 13.890 -0.016 -8.569 1.00 1.00 C ATOM 1651 C LYS A 107 12.714 -0.961 -8.818 1.00 1.00 C ATOM 1652 O LYS A 107 12.855 -1.992 -9.474 1.00 1.00 O ATOM 1653 CB LYS A 107 14.323 0.613 -9.892 1.00 1.00 C ATOM 1654 CG LYS A 107 13.460 1.775 -10.363 1.00 1.00 C ATOM 1655 CD LYS A 107 14.058 3.116 -9.951 1.00 1.00 C ATOM 1656 CE LYS A 107 15.294 3.497 -10.768 1.00 1.00 C ATOM 1657 NZ LYS A 107 15.734 4.832 -10.366 1.00 1.00 N ATOM 0 H LYS A 107 15.678 -1.042 -8.830 1.00 1.00 H new ATOM 0 HA LYS A 107 13.649 0.779 -7.863 1.00 1.00 H new ATOM 0 HB2 LYS A 107 15.351 0.960 -9.793 1.00 1.00 H new ATOM 0 HB3 LYS A 107 14.320 -0.158 -10.662 1.00 1.00 H new ATOM 0 HG2 LYS A 107 13.358 1.738 -11.448 1.00 1.00 H new ATOM 0 HG3 LYS A 107 12.458 1.678 -9.945 1.00 1.00 H new ATOM 0 HD2 LYS A 107 13.302 3.894 -10.062 1.00 1.00 H new ATOM 0 HD3 LYS A 107 14.325 3.079 -8.895 1.00 1.00 H new ATOM 0 HE2 LYS A 107 16.092 2.772 -10.605 1.00 1.00 H new ATOM 0 HE3 LYS A 107 15.062 3.481 -11.833 1.00 1.00 H new ATOM 0 HZ1 LYS A 107 16.585 5.094 -10.904 1.00 1.00 H new ATOM 0 HZ2 LYS A 107 14.978 5.519 -10.558 1.00 1.00 H new ATOM 0 HZ3 LYS A 107 15.953 4.834 -9.349 1.00 1.00 H new ATOM 1671 N LEU A 108 11.561 -0.607 -8.179 1.00 1.00 N ATOM 1672 CA LEU A 108 10.278 -1.249 -8.466 1.00 1.00 C ATOM 1673 C LEU A 108 9.546 -0.211 -9.323 1.00 1.00 C ATOM 1674 O LEU A 108 9.122 0.845 -8.850 1.00 1.00 O ATOM 1675 CB LEU A 108 9.602 -1.559 -7.131 1.00 1.00 C ATOM 1676 CG LEU A 108 8.188 -2.151 -7.099 1.00 1.00 C ATOM 1677 CD1 LEU A 108 7.096 -1.089 -7.147 1.00 1.00 C ATOM 1678 CD2 LEU A 108 7.956 -3.208 -8.164 1.00 1.00 C ATOM 0 H LEU A 108 11.512 0.120 -7.466 1.00 1.00 H new ATOM 0 HA LEU A 108 10.323 -2.200 -8.997 1.00 1.00 H new ATOM 0 HB2 LEU A 108 10.253 -2.248 -6.592 1.00 1.00 H new ATOM 0 HB3 LEU A 108 9.577 -0.631 -6.559 1.00 1.00 H new ATOM 0 HG LEU A 108 8.120 -2.648 -6.131 1.00 1.00 H new ATOM 0 HD11 LEU A 108 6.119 -1.571 -7.121 1.00 1.00 H new ATOM 0 HD12 LEU A 108 7.196 -0.425 -6.288 1.00 1.00 H new ATOM 0 HD13 LEU A 108 7.191 -0.510 -8.066 1.00 1.00 H new ATOM 0 HD21 LEU A 108 6.936 -3.586 -8.086 1.00 1.00 H new ATOM 0 HD22 LEU A 108 8.106 -2.770 -9.151 1.00 1.00 H new ATOM 0 HD23 LEU A 108 8.659 -4.029 -8.021 1.00 1.00 H new ATOM 1690 N VAL A 109 9.566 -0.481 -10.670 1.00 1.00 N ATOM 1691 CA VAL A 109 8.793 0.322 -11.617 1.00 1.00 C ATOM 1692 C VAL A 109 7.341 -0.183 -11.484 1.00 1.00 C ATOM 1693 O VAL A 109 7.078 -1.371 -11.280 1.00 1.00 O ATOM 1694 CB VAL A 109 9.299 0.138 -13.064 1.00 1.00 C ATOM 1695 CG1 VAL A 109 8.634 1.132 -14.022 1.00 1.00 C ATOM 1696 CG2 VAL A 109 10.822 0.277 -13.172 1.00 1.00 C ATOM 0 H VAL A 109 10.104 -1.237 -11.094 1.00 1.00 H new ATOM 0 HA VAL A 109 8.884 1.386 -11.399 1.00 1.00 H new ATOM 0 HB VAL A 109 9.025 -0.878 -13.350 1.00 1.00 H new ATOM 0 HG11 VAL A 109 9.014 0.974 -15.031 1.00 1.00 H new ATOM 0 HG12 VAL A 109 7.555 0.980 -14.012 1.00 1.00 H new ATOM 0 HG13 VAL A 109 8.860 2.150 -13.705 1.00 1.00 H new ATOM 0 HG21 VAL A 109 11.127 0.139 -14.209 1.00 1.00 H new ATOM 0 HG22 VAL A 109 11.122 1.269 -12.834 1.00 1.00 H new ATOM 0 HG23 VAL A 109 11.301 -0.478 -12.549 1.00 1.00 H new ATOM 1706 N GLU A 110 6.365 0.771 -11.619 1.00 1.00 N ATOM 1707 CA GLU A 110 4.959 0.447 -11.451 1.00 1.00 C ATOM 1708 C GLU A 110 4.109 1.258 -12.444 1.00 1.00 C ATOM 1709 O GLU A 110 4.373 2.418 -12.760 1.00 1.00 O ATOM 1710 CB GLU A 110 4.482 0.696 -10.008 1.00 1.00 C ATOM 1711 CG GLU A 110 4.177 -0.601 -9.275 1.00 1.00 C ATOM 1712 CD GLU A 110 3.508 -0.470 -7.919 1.00 1.00 C ATOM 1713 OE1 GLU A 110 3.549 0.646 -7.337 1.00 1.00 O ATOM 1714 OE2 GLU A 110 2.826 -1.487 -7.567 1.00 1.00 O ATOM 0 H GLU A 110 6.550 1.749 -11.841 1.00 1.00 H new ATOM 0 HA GLU A 110 4.836 -0.616 -11.656 1.00 1.00 H new ATOM 0 HB2 GLU A 110 5.248 1.248 -9.464 1.00 1.00 H new ATOM 0 HB3 GLU A 110 3.589 1.321 -10.024 1.00 1.00 H new ATOM 0 HG2 GLU A 110 3.538 -1.212 -9.913 1.00 1.00 H new ATOM 0 HG3 GLU A 110 5.111 -1.147 -9.143 1.00 1.00 H new ATOM 1721 N VAL A 111 2.992 0.590 -12.903 1.00 1.00 N ATOM 1722 CA VAL A 111 2.019 1.188 -13.814 1.00 1.00 C ATOM 1723 C VAL A 111 0.631 0.667 -13.390 1.00 1.00 C ATOM 1724 O VAL A 111 0.385 -0.539 -13.302 1.00 1.00 O ATOM 1725 CB VAL A 111 2.255 0.802 -15.296 1.00 1.00 C ATOM 1726 CG1 VAL A 111 1.116 1.296 -16.203 1.00 1.00 C ATOM 1727 CG2 VAL A 111 3.567 1.372 -15.834 1.00 1.00 C ATOM 0 H VAL A 111 2.768 -0.369 -12.638 1.00 1.00 H new ATOM 0 HA VAL A 111 2.108 2.273 -13.751 1.00 1.00 H new ATOM 0 HB VAL A 111 2.295 -0.287 -15.313 1.00 1.00 H new ATOM 0 HG11 VAL A 111 1.319 1.005 -17.234 1.00 1.00 H new ATOM 0 HG12 VAL A 111 0.175 0.852 -15.880 1.00 1.00 H new ATOM 0 HG13 VAL A 111 1.045 2.382 -16.140 1.00 1.00 H new ATOM 0 HG21 VAL A 111 3.692 1.077 -16.876 1.00 1.00 H new ATOM 0 HG22 VAL A 111 3.547 2.460 -15.765 1.00 1.00 H new ATOM 0 HG23 VAL A 111 4.400 0.987 -15.245 1.00 1.00 H new ATOM 1737 N SER A 112 -0.304 1.643 -13.156 1.00 1.00 N ATOM 1738 CA SER A 112 -1.730 1.380 -13.027 1.00 1.00 C ATOM 1739 C SER A 112 -2.491 1.903 -14.251 1.00 1.00 C ATOM 1740 O SER A 112 -2.045 2.750 -15.027 1.00 1.00 O ATOM 1741 CB SER A 112 -2.342 2.037 -11.789 1.00 1.00 C ATOM 1742 OG SER A 112 -1.455 1.975 -10.673 1.00 1.00 O ATOM 0 H SER A 112 -0.062 2.629 -13.055 1.00 1.00 H new ATOM 0 HA SER A 112 -1.824 0.298 -12.939 1.00 1.00 H new ATOM 0 HB2 SER A 112 -2.581 3.078 -12.008 1.00 1.00 H new ATOM 0 HB3 SER A 112 -3.280 1.541 -11.538 1.00 1.00 H new ATOM 0 HG SER A 112 -1.276 2.882 -10.346 1.00 1.00 H new ATOM 1748 N THR A 113 -3.759 1.394 -14.372 1.00 1.00 N ATOM 1749 CA THR A 113 -4.714 1.847 -15.384 1.00 1.00 C ATOM 1750 C THR A 113 -6.106 1.589 -14.789 1.00 1.00 C ATOM 1751 O THR A 113 -6.505 0.461 -14.503 1.00 1.00 O ATOM 1752 CB THR A 113 -4.529 1.114 -16.725 1.00 1.00 C ATOM 1753 OG1 THR A 113 -3.202 1.289 -17.248 1.00 1.00 O ATOM 1754 CG2 THR A 113 -5.513 1.599 -17.782 1.00 1.00 C ATOM 0 H THR A 113 -4.125 0.662 -13.763 1.00 1.00 H new ATOM 0 HA THR A 113 -4.566 2.902 -15.614 1.00 1.00 H new ATOM 0 HB THR A 113 -4.710 0.061 -16.510 1.00 1.00 H new ATOM 0 HG1 THR A 113 -3.120 0.809 -18.099 1.00 1.00 H new ATOM 0 HG21 THR A 113 -5.346 1.055 -18.711 1.00 1.00 H new ATOM 0 HG22 THR A 113 -6.532 1.425 -17.437 1.00 1.00 H new ATOM 0 HG23 THR A 113 -5.366 2.665 -17.954 1.00 1.00 H new ATOM 1762 N VAL A 114 -6.788 2.741 -14.485 1.00 1.00 N ATOM 1763 CA VAL A 114 -8.179 2.761 -14.011 1.00 1.00 C ATOM 1764 C VAL A 114 -9.045 3.080 -15.244 1.00 1.00 C ATOM 1765 O VAL A 114 -8.553 3.396 -16.330 1.00 1.00 O ATOM 1766 CB VAL A 114 -8.299 3.794 -12.870 1.00 1.00 C ATOM 1767 CG1 VAL A 114 -8.144 5.238 -13.348 1.00 1.00 C ATOM 1768 CG2 VAL A 114 -9.555 3.683 -12.014 1.00 1.00 C ATOM 0 H VAL A 114 -6.373 3.669 -14.568 1.00 1.00 H new ATOM 0 HA VAL A 114 -8.515 1.814 -13.589 1.00 1.00 H new ATOM 0 HB VAL A 114 -7.457 3.530 -12.230 1.00 1.00 H new ATOM 0 HG11 VAL A 114 -8.239 5.915 -12.499 1.00 1.00 H new ATOM 0 HG12 VAL A 114 -7.164 5.366 -13.807 1.00 1.00 H new ATOM 0 HG13 VAL A 114 -8.919 5.464 -14.080 1.00 1.00 H new ATOM 0 HG21 VAL A 114 -9.540 4.454 -11.244 1.00 1.00 H new ATOM 0 HG22 VAL A 114 -10.436 3.815 -12.642 1.00 1.00 H new ATOM 0 HG23 VAL A 114 -9.589 2.700 -11.543 1.00 1.00 H new ATOM 1778 N GLY A 115 -10.402 3.061 -15.032 1.00 1.00 N ATOM 1779 CA GLY A 115 -11.315 3.402 -16.108 1.00 1.00 C ATOM 1780 C GLY A 115 -11.209 4.902 -16.433 1.00 1.00 C ATOM 1781 O GLY A 115 -11.843 5.765 -15.830 1.00 1.00 O ATOM 0 H GLY A 115 -10.848 2.818 -14.147 1.00 1.00 H new ATOM 0 HA2 GLY A 115 -11.082 2.812 -16.994 1.00 1.00 H new ATOM 0 HA3 GLY A 115 -12.337 3.155 -15.821 1.00 1.00 H new ATOM 1785 N GLY A 116 -10.259 5.198 -17.388 1.00 1.00 N ATOM 1786 CA GLY A 116 -10.105 6.518 -17.961 1.00 1.00 C ATOM 1787 C GLY A 116 -8.747 7.210 -17.792 1.00 1.00 C ATOM 1788 O GLY A 116 -8.519 8.282 -18.356 1.00 1.00 O ATOM 0 H GLY A 116 -9.601 4.510 -17.756 1.00 1.00 H new ATOM 0 HA2 GLY A 116 -10.316 6.448 -19.028 1.00 1.00 H new ATOM 0 HA3 GLY A 116 -10.868 7.164 -17.527 1.00 1.00 H new ATOM 1792 N VAL A 117 -7.829 6.623 -16.953 1.00 1.00 N ATOM 1793 CA VAL A 117 -6.513 7.230 -16.698 1.00 1.00 C ATOM 1794 C VAL A 117 -5.468 6.088 -16.524 1.00 1.00 C ATOM 1795 O VAL A 117 -5.712 5.055 -15.896 1.00 1.00 O ATOM 1796 CB VAL A 117 -6.552 8.168 -15.458 1.00 1.00 C ATOM 1797 CG1 VAL A 117 -5.167 8.587 -14.973 1.00 1.00 C ATOM 1798 CG2 VAL A 117 -7.336 9.452 -15.742 1.00 1.00 C ATOM 0 H VAL A 117 -7.990 5.745 -16.459 1.00 1.00 H new ATOM 0 HA VAL A 117 -6.227 7.854 -17.545 1.00 1.00 H new ATOM 0 HB VAL A 117 -7.041 7.575 -14.685 1.00 1.00 H new ATOM 0 HG11 VAL A 117 -5.267 9.240 -14.106 1.00 1.00 H new ATOM 0 HG12 VAL A 117 -4.595 7.701 -14.696 1.00 1.00 H new ATOM 0 HG13 VAL A 117 -4.648 9.119 -15.770 1.00 1.00 H new ATOM 0 HG21 VAL A 117 -7.340 10.080 -14.851 1.00 1.00 H new ATOM 0 HG22 VAL A 117 -6.866 9.991 -16.564 1.00 1.00 H new ATOM 0 HG23 VAL A 117 -8.361 9.200 -16.013 1.00 1.00 H new ATOM 1808 N SER A 118 -4.231 6.333 -17.089 1.00 1.00 N ATOM 1809 CA SER A 118 -3.029 5.574 -16.725 1.00 1.00 C ATOM 1810 C SER A 118 -2.220 6.375 -15.690 1.00 1.00 C ATOM 1811 O SER A 118 -2.274 7.602 -15.608 1.00 1.00 O ATOM 1812 CB SER A 118 -2.101 5.281 -17.913 1.00 1.00 C ATOM 1813 OG SER A 118 -1.973 6.416 -18.771 1.00 1.00 O ATOM 0 H SER A 118 -4.068 7.053 -17.793 1.00 1.00 H new ATOM 0 HA SER A 118 -3.379 4.620 -16.332 1.00 1.00 H new ATOM 0 HB2 SER A 118 -1.117 4.990 -17.544 1.00 1.00 H new ATOM 0 HB3 SER A 118 -2.491 4.437 -18.481 1.00 1.00 H new ATOM 0 HG SER A 118 -1.375 6.197 -19.516 1.00 1.00 H new ATOM 1819 N TYR A 119 -1.383 5.618 -14.910 1.00 1.00 N ATOM 1820 CA TYR A 119 -0.639 6.197 -13.781 1.00 1.00 C ATOM 1821 C TYR A 119 0.582 5.318 -13.569 1.00 1.00 C ATOM 1822 O TYR A 119 0.474 4.120 -13.306 1.00 1.00 O ATOM 1823 CB TYR A 119 -1.530 6.205 -12.536 1.00 1.00 C ATOM 1824 CG TYR A 119 -0.919 6.245 -11.154 1.00 1.00 C ATOM 1825 CD1 TYR A 119 0.057 7.165 -10.763 1.00 1.00 C ATOM 1826 CD2 TYR A 119 -1.442 5.383 -10.176 1.00 1.00 C ATOM 1827 CE1 TYR A 119 0.449 7.242 -9.419 1.00 1.00 C ATOM 1828 CE2 TYR A 119 -1.047 5.453 -8.846 1.00 1.00 C ATOM 1829 CZ TYR A 119 -0.117 6.396 -8.472 1.00 1.00 C ATOM 1830 OH TYR A 119 0.172 6.460 -7.145 1.00 1.00 O ATOM 0 H TYR A 119 -1.220 4.621 -15.053 1.00 1.00 H new ATOM 0 HA TYR A 119 -0.337 7.226 -13.978 1.00 1.00 H new ATOM 0 HB2 TYR A 119 -2.192 7.067 -12.620 1.00 1.00 H new ATOM 0 HB3 TYR A 119 -2.158 5.315 -12.584 1.00 1.00 H new ATOM 0 HD1 TYR A 119 0.509 7.817 -11.496 1.00 1.00 H new ATOM 0 HD2 TYR A 119 -2.173 4.643 -10.467 1.00 1.00 H new ATOM 0 HE1 TYR A 119 1.195 7.963 -9.118 1.00 1.00 H new ATOM 0 HE2 TYR A 119 -1.464 4.776 -8.115 1.00 1.00 H new ATOM 0 HH TYR A 119 0.594 7.321 -6.943 1.00 1.00 H new ATOM 1840 N GLU A 120 1.772 5.962 -13.747 1.00 1.00 N ATOM 1841 CA GLU A 120 3.053 5.310 -13.644 1.00 1.00 C ATOM 1842 C GLU A 120 3.908 5.947 -12.531 1.00 1.00 C ATOM 1843 O GLU A 120 3.828 7.128 -12.187 1.00 1.00 O ATOM 1844 CB GLU A 120 3.782 5.237 -14.993 1.00 1.00 C ATOM 1845 CG GLU A 120 4.319 6.551 -15.559 1.00 1.00 C ATOM 1846 CD GLU A 120 3.284 7.493 -16.152 1.00 1.00 C ATOM 1847 OE1 GLU A 120 2.294 7.785 -15.432 1.00 1.00 O ATOM 1848 OE2 GLU A 120 3.580 7.966 -17.292 1.00 1.00 O ATOM 0 H GLU A 120 1.838 6.956 -13.967 1.00 1.00 H new ATOM 0 HA GLU A 120 2.875 4.274 -13.355 1.00 1.00 H new ATOM 0 HB2 GLU A 120 4.618 4.545 -14.890 1.00 1.00 H new ATOM 0 HB3 GLU A 120 3.099 4.806 -15.725 1.00 1.00 H new ATOM 0 HG2 GLU A 120 4.847 7.077 -14.764 1.00 1.00 H new ATOM 0 HG3 GLU A 120 5.054 6.318 -16.330 1.00 1.00 H new ATOM 1855 N ARG A 121 4.814 5.061 -11.982 1.00 1.00 N ATOM 1856 CA ARG A 121 5.711 5.451 -10.918 1.00 1.00 C ATOM 1857 C ARG A 121 6.961 4.565 -10.879 1.00 1.00 C ATOM 1858 O ARG A 121 7.041 3.460 -11.413 1.00 1.00 O ATOM 1859 CB ARG A 121 5.028 5.492 -9.546 1.00 1.00 C ATOM 1860 CG ARG A 121 4.757 4.139 -8.877 1.00 1.00 C ATOM 1861 CD ARG A 121 4.070 4.381 -7.535 1.00 1.00 C ATOM 1862 NE ARG A 121 3.688 3.158 -6.860 1.00 1.00 N ATOM 1863 CZ ARG A 121 2.946 3.155 -5.745 1.00 1.00 C ATOM 1864 NH1 ARG A 121 2.613 4.250 -5.074 1.00 1.00 N ATOM 1865 NH2 ARG A 121 2.521 1.976 -5.294 1.00 1.00 N ATOM 0 H ARG A 121 4.913 4.091 -12.281 1.00 1.00 H new ATOM 0 HA ARG A 121 6.022 6.470 -11.147 1.00 1.00 H new ATOM 0 HB2 ARG A 121 5.647 6.087 -8.874 1.00 1.00 H new ATOM 0 HB3 ARG A 121 4.078 6.016 -9.653 1.00 1.00 H new ATOM 0 HG2 ARG A 121 4.127 3.521 -9.517 1.00 1.00 H new ATOM 0 HG3 ARG A 121 5.691 3.597 -8.730 1.00 1.00 H new ATOM 0 HD2 ARG A 121 4.739 4.951 -6.890 1.00 1.00 H new ATOM 0 HD3 ARG A 121 3.182 4.993 -7.694 1.00 1.00 H new ATOM 0 HE ARG A 121 3.995 2.266 -7.248 1.00 1.00 H new ATOM 0 HH11 ARG A 121 2.926 5.164 -5.402 1.00 1.00 H new ATOM 0 HH12 ARG A 121 2.044 4.178 -4.230 1.00 1.00 H new ATOM 0 HH21 ARG A 121 2.763 1.121 -5.795 1.00 1.00 H new ATOM 0 HH22 ARG A 121 1.953 1.928 -4.448 1.00 1.00 H new ATOM 1879 N VAL A 122 7.973 5.109 -10.129 1.00 1.00 N ATOM 1880 CA VAL A 122 9.174 4.384 -9.785 1.00 1.00 C ATOM 1881 C VAL A 122 9.299 4.445 -8.251 1.00 1.00 C ATOM 1882 O VAL A 122 9.374 5.507 -7.627 1.00 1.00 O ATOM 1883 CB VAL A 122 10.439 4.935 -10.479 1.00 1.00 C ATOM 1884 CG1 VAL A 122 10.671 4.215 -11.809 1.00 1.00 C ATOM 1885 CG2 VAL A 122 10.423 6.446 -10.725 1.00 1.00 C ATOM 0 H VAL A 122 7.948 6.061 -9.763 1.00 1.00 H new ATOM 0 HA VAL A 122 9.095 3.356 -10.138 1.00 1.00 H new ATOM 0 HB VAL A 122 11.254 4.743 -9.781 1.00 1.00 H new ATOM 0 HG11 VAL A 122 11.566 4.613 -12.287 1.00 1.00 H new ATOM 0 HG12 VAL A 122 10.801 3.148 -11.627 1.00 1.00 H new ATOM 0 HG13 VAL A 122 9.812 4.370 -12.461 1.00 1.00 H new ATOM 0 HG21 VAL A 122 11.349 6.745 -11.216 1.00 1.00 H new ATOM 0 HG22 VAL A 122 9.576 6.702 -11.362 1.00 1.00 H new ATOM 0 HG23 VAL A 122 10.332 6.969 -9.773 1.00 1.00 H new ATOM 1895 N SER A 123 9.259 3.222 -7.620 1.00 1.00 N ATOM 1896 CA SER A 123 9.706 3.052 -6.241 1.00 1.00 C ATOM 1897 C SER A 123 11.101 2.420 -6.252 1.00 1.00 C ATOM 1898 O SER A 123 11.608 1.921 -7.256 1.00 1.00 O ATOM 1899 CB SER A 123 8.720 2.222 -5.415 1.00 1.00 C ATOM 1900 OG SER A 123 7.367 2.582 -5.683 1.00 1.00 O ATOM 0 H SER A 123 8.922 2.366 -8.061 1.00 1.00 H new ATOM 0 HA SER A 123 9.752 4.029 -5.760 1.00 1.00 H new ATOM 0 HB2 SER A 123 8.864 1.164 -5.633 1.00 1.00 H new ATOM 0 HB3 SER A 123 8.929 2.360 -4.354 1.00 1.00 H new ATOM 0 HG SER A 123 6.768 2.030 -5.139 1.00 1.00 H new ATOM 1906 N LYS A 124 11.747 2.439 -5.043 1.00 1.00 N ATOM 1907 CA LYS A 124 13.150 2.079 -4.911 1.00 1.00 C ATOM 1908 C LYS A 124 13.308 1.422 -3.531 1.00 1.00 C ATOM 1909 O LYS A 124 12.961 1.961 -2.480 1.00 1.00 O ATOM 1910 CB LYS A 124 14.028 3.324 -5.105 1.00 1.00 C ATOM 1911 CG LYS A 124 15.480 3.199 -4.647 1.00 1.00 C ATOM 1912 CD LYS A 124 16.314 2.111 -5.323 1.00 1.00 C ATOM 1913 CE LYS A 124 16.783 2.494 -6.720 1.00 1.00 C ATOM 1914 NZ LYS A 124 17.852 1.582 -7.144 1.00 1.00 N ATOM 0 H LYS A 124 11.299 2.702 -4.165 1.00 1.00 H new ATOM 0 HA LYS A 124 13.475 1.372 -5.674 1.00 1.00 H new ATOM 0 HB2 LYS A 124 14.023 3.586 -6.163 1.00 1.00 H new ATOM 0 HB3 LYS A 124 13.569 4.155 -4.569 1.00 1.00 H new ATOM 0 HG2 LYS A 124 15.973 4.158 -4.809 1.00 1.00 H new ATOM 0 HG3 LYS A 124 15.485 3.015 -3.573 1.00 1.00 H new ATOM 0 HD2 LYS A 124 17.183 1.891 -4.703 1.00 1.00 H new ATOM 0 HD3 LYS A 124 15.725 1.196 -5.383 1.00 1.00 H new ATOM 0 HE2 LYS A 124 15.950 2.446 -7.421 1.00 1.00 H new ATOM 0 HE3 LYS A 124 17.144 3.522 -6.725 1.00 1.00 H new ATOM 0 HZ1 LYS A 124 18.044 1.719 -8.157 1.00 1.00 H new ATOM 0 HZ2 LYS A 124 18.715 1.781 -6.598 1.00 1.00 H new ATOM 0 HZ3 LYS A 124 17.556 0.599 -6.978 1.00 1.00 H new ATOM 1928 N LYS A 125 13.837 0.150 -3.577 1.00 1.00 N ATOM 1929 CA LYS A 125 14.163 -0.591 -2.371 1.00 1.00 C ATOM 1930 C LYS A 125 15.465 0.023 -1.847 1.00 1.00 C ATOM 1931 O LYS A 125 16.500 0.033 -2.513 1.00 1.00 O ATOM 1932 CB LYS A 125 14.425 -2.078 -2.666 1.00 1.00 C ATOM 1933 CG LYS A 125 14.366 -2.941 -1.401 1.00 1.00 C ATOM 1934 CD LYS A 125 15.061 -4.302 -1.545 1.00 1.00 C ATOM 1935 CE LYS A 125 14.725 -5.145 -2.770 1.00 1.00 C ATOM 1936 NZ LYS A 125 13.347 -5.622 -2.746 1.00 1.00 N ATOM 0 H LYS A 125 14.033 -0.352 -4.443 1.00 1.00 H new ATOM 0 HA LYS A 125 13.335 -0.533 -1.664 1.00 1.00 H new ATOM 0 HB2 LYS A 125 13.689 -2.439 -3.384 1.00 1.00 H new ATOM 0 HB3 LYS A 125 15.404 -2.187 -3.132 1.00 1.00 H new ATOM 0 HG2 LYS A 125 14.826 -2.394 -0.578 1.00 1.00 H new ATOM 0 HG3 LYS A 125 13.322 -3.103 -1.132 1.00 1.00 H new ATOM 0 HD2 LYS A 125 16.137 -4.131 -1.541 1.00 1.00 H new ATOM 0 HD3 LYS A 125 14.829 -4.892 -0.658 1.00 1.00 H new ATOM 0 HE2 LYS A 125 14.888 -4.555 -3.672 1.00 1.00 H new ATOM 0 HE3 LYS A 125 15.403 -5.997 -2.820 1.00 1.00 H new ATOM 0 HZ1 LYS A 125 13.292 -6.549 -3.214 1.00 1.00 H new ATOM 0 HZ2 LYS A 125 13.028 -5.713 -1.760 1.00 1.00 H new ATOM 0 HZ3 LYS A 125 12.737 -4.945 -3.246 1.00 1.00 H new ATOM 1950 N LEU A 126 15.357 0.576 -0.592 1.00 1.00 N ATOM 1951 CA LEU A 126 16.460 1.370 -0.050 1.00 1.00 C ATOM 1952 C LEU A 126 16.632 1.113 1.460 1.00 1.00 C ATOM 1953 O LEU A 126 17.439 1.704 2.168 1.00 1.00 O ATOM 1954 CB LEU A 126 16.162 2.826 -0.400 1.00 1.00 C ATOM 1955 CG LEU A 126 17.259 3.833 -0.072 1.00 1.00 C ATOM 1956 CD1 LEU A 126 18.624 3.410 -0.610 1.00 1.00 C ATOM 1957 CD2 LEU A 126 16.861 5.197 -0.633 1.00 1.00 C ATOM 0 H LEU A 126 14.547 0.480 0.020 1.00 1.00 H new ATOM 0 HA LEU A 126 17.419 1.090 -0.485 1.00 1.00 H new ATOM 0 HB2 LEU A 126 15.950 2.886 -1.467 1.00 1.00 H new ATOM 0 HB3 LEU A 126 15.254 3.126 0.123 1.00 1.00 H new ATOM 0 HG LEU A 126 17.359 3.885 1.012 1.00 1.00 H new ATOM 0 HD11 LEU A 126 19.368 4.163 -0.348 1.00 1.00 H new ATOM 0 HD12 LEU A 126 18.907 2.453 -0.172 1.00 1.00 H new ATOM 0 HD13 LEU A 126 18.573 3.312 -1.694 1.00 1.00 H new ATOM 0 HD21 LEU A 126 17.639 5.926 -0.404 1.00 1.00 H new ATOM 0 HD22 LEU A 126 16.739 5.124 -1.714 1.00 1.00 H new ATOM 0 HD23 LEU A 126 15.921 5.516 -0.182 1.00 1.00 H new ATOM 1969 N ALA A 127 15.847 0.087 1.929 1.00 1.00 N ATOM 1970 CA ALA A 127 15.770 -0.242 3.344 1.00 1.00 C ATOM 1971 C ALA A 127 15.177 -1.640 3.547 1.00 0.00 C ATOM 1972 O ALA A 127 14.465 -2.277 2.776 1.00 0.00 O ATOM 1973 CB ALA A 127 14.953 0.800 4.093 1.00 1.00 C ATOM 1974 OXT ALA A 127 15.505 -2.161 4.749 1.00 0.00 O ATOM 0 H ALA A 127 15.273 -0.506 1.330 1.00 1.00 H new ATOM 0 HA ALA A 127 16.782 -0.240 3.748 1.00 1.00 H new ATOM 0 HB1 ALA A 127 14.907 0.536 5.150 1.00 1.00 H new ATOM 0 HB2 ALA A 127 15.422 1.778 3.983 1.00 1.00 H new ATOM 0 HB3 ALA A 127 13.943 0.834 3.683 1.00 1.00 H new TER 1981 ALA A 127 HETATM 1982 C GCH A 128 0.277 -3.276 -5.432 1.00 0.00 C HETATM 1983 O GCH A 128 1.032 -3.468 -6.627 1.00 0.00 O HETATM 1984 C1 GCH A 128 -0.150 -1.819 -5.315 1.00 0.00 C HETATM 1985 C2 GCH A 128 -0.958 -1.558 -4.030 1.00 0.00 C HETATM 1986 C3 GCH A 128 -2.174 -2.534 -3.841 1.00 0.00 C HETATM 1987 C4 GCH A 128 -1.716 -3.998 -4.132 1.00 0.00 C HETATM 1988 C5 GCH A 128 -0.952 -4.170 -5.440 1.00 0.00 C HETATM 1989 C6 GCH A 128 -2.585 -2.513 -2.343 1.00 0.00 C HETATM 1990 C7 GCH A 128 -1.354 -0.071 -3.926 1.00 0.00 C HETATM 1991 C8 GCH A 128 -2.561 0.333 -4.776 1.00 0.00 C HETATM 1992 O1 GCH A 128 -2.212 0.358 -6.161 1.00 0.00 O HETATM 1993 C9 GCH A 128 -3.761 -0.598 -4.536 1.00 0.00 C HETATM 1994 C10 GCH A 128 -3.380 -2.095 -4.765 1.00 0.00 C HETATM 1995 C11 GCH A 128 -4.624 -3.026 -4.654 1.00 0.00 C HETATM 1996 C12 GCH A 128 -5.874 -2.548 -5.423 1.00 0.00 C HETATM 1997 C13 GCH A 128 -6.236 -1.078 -5.094 1.00 0.00 C HETATM 1998 C14 GCH A 128 -4.971 -0.236 -5.412 1.00 0.00 C HETATM 1999 C15 GCH A 128 -5.458 1.205 -5.369 1.00 0.00 C HETATM 2000 C16 GCH A 128 -6.904 1.138 -5.865 1.00 0.00 C HETATM 2001 C17 GCH A 128 -7.280 -0.363 -6.020 1.00 0.00 C HETATM 2002 C18 GCH A 128 -8.803 -0.609 -5.793 1.00 0.00 C HETATM 2003 C19 GCH A 128 -9.184 -2.085 -5.934 1.00 0.00 C HETATM 2004 C20 GCH A 128 -9.662 0.240 -6.767 1.00 0.00 C HETATM 2005 C21 GCH A 128 -11.152 0.265 -6.408 1.00 0.00 C HETATM 2006 C22 GCH A 128 -11.786 1.587 -6.795 1.00 0.00 C HETATM 2007 N GCH A 128 -12.025 1.746 -8.138 1.00 0.00 N HETATM 2008 CA GCH A 128 -12.641 2.963 -8.660 1.00 0.00 C HETATM 2009 O2 GCH A 128 -12.023 2.464 -5.962 1.00 0.00 O HETATM 2010 C23 GCH A 128 -6.678 -0.954 -3.614 1.00 0.00 C HETATM 2011 O3 GCH A 128 -5.615 -2.736 -6.816 1.00 0.00 O HETATM 2012 C24 GCH A 128 -14.138 2.852 -8.900 1.00 0.00 C HETATM 2013 O4 GCH A 128 -14.590 1.586 -8.995 1.00 0.00 O HETATM 2014 O5 GCH A 128 -14.902 3.786 -9.076 1.00 0.00 O HETATM 0 H9 GCH A 128 -0.300 -1.783 -3.190 1.00 0.00 H new HETATM 0 H8 GCH A 128 -1.744 -2.839 -1.730 1.00 0.00 H new HETATM 0 H7 GCH A 128 -2.870 -1.500 -2.058 1.00 0.00 H new HETATM 0 H6 GCH A 128 -3.429 -3.185 -2.188 1.00 0.00 H new HETATM 0 H5 GCH A 128 -1.087 -4.339 -3.310 1.00 0.00 H new HETATM 0 H43 GCH A 128 -15.570 1.586 -8.968 1.00 0.00 H new HETATM 0 H42 GCH A 128 -4.350 -4.016 -5.018 1.00 0.00 H new HETATM 0 H41 GCH A 128 -4.884 -3.134 -3.601 1.00 0.00 H new HETATM 0 H40 GCH A 128 -6.744 -3.131 -5.120 1.00 0.00 H new HETATM 0 H4 GCH A 128 -2.594 -4.644 -4.150 1.00 0.00 H new HETATM 0 H39 GCH A 128 -6.457 -2.914 -7.284 1.00 0.00 H new HETATM 0 H38 GCH A 128 -7.551 -1.583 -3.441 1.00 0.00 H new HETATM 0 H37 GCH A 128 -5.865 -1.275 -2.963 1.00 0.00 H new HETATM 0 H36 GCH A 128 -6.930 0.084 -3.395 1.00 0.00 H new HETATM 0 H35 GCH A 128 -4.546 -0.443 -6.394 1.00 0.00 H new HETATM 0 H34 GCH A 128 -5.404 1.612 -4.359 1.00 0.00 H new HETATM 0 H33 GCH A 128 -4.850 1.848 -6.005 1.00 0.00 H new HETATM 0 H32 GCH A 128 -7.574 1.629 -5.159 1.00 0.00 H new HETATM 0 H31 GCH A 128 -7.007 1.659 -6.817 1.00 0.00 H new HETATM 0 H30 GCH A 128 -7.197 -0.784 -7.022 1.00 0.00 H new HETATM 0 H3 GCH A 128 -1.593 -3.916 -6.284 1.00 0.00 H new HETATM 0 H29 GCH A 128 -9.009 -0.302 -4.768 1.00 0.00 H new HETATM 0 H28 GCH A 128 -9.282 1.262 -6.777 1.00 0.00 H new HETATM 0 H27 GCH A 128 -9.547 -0.153 -7.777 1.00 0.00 H new HETATM 0 H26 GCH A 128 -11.665 -0.551 -6.917 1.00 0.00 H new HETATM 0 H25 GCH A 128 -11.274 0.099 -5.338 1.00 0.00 H new HETATM 0 H24 GCH A 128 -11.767 1.000 -8.784 1.00 0.00 H new HETATM 0 H23 GCH A 128 -12.456 3.779 -7.961 1.00 0.00 H new HETATM 0 H22 GCH A 128 -12.153 3.230 -9.597 1.00 0.00 H new HETATM 0 H21 GCH A 128 -8.934 -2.431 -6.937 1.00 0.00 H new HETATM 0 H20 GCH A 128 -8.635 -2.674 -5.199 1.00 0.00 H new HETATM 0 H2 GCH A 128 -0.656 -5.211 -5.566 1.00 0.00 H new HETATM 0 H19 GCH A 128 -10.255 -2.202 -5.767 1.00 0.00 H new HETATM 0 H18 GCH A 128 -1.568 0.161 -2.883 1.00 0.00 H new HETATM 0 H17 GCH A 128 -0.500 0.539 -4.220 1.00 0.00 H new HETATM 0 H16 GCH A 128 -2.858 1.337 -4.472 1.00 0.00 H new HETATM 0 H15 GCH A 128 -4.044 -0.457 -3.493 1.00 0.00 H new HETATM 0 H14 GCH A 128 -3.023 -2.201 -5.789 1.00 0.00 H new HETATM 0 H13 GCH A 128 -2.860 0.905 -6.652 1.00 0.00 H new HETATM 0 H12 GCH A 128 0.901 -3.537 -4.578 1.00 0.00 H new HETATM 0 H11 GCH A 128 0.733 -1.180 -5.324 1.00 0.00 H new HETATM 0 H10 GCH A 128 -0.750 -1.546 -6.183 1.00 0.00 H new HETATM 0 H1 GCH A 128 1.304 -4.407 -6.695 1.00 0.00 H new