USER MOD reduce.3.24.130724 H: found=0, std=0, add=1017, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 1017 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 100 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 102 THR OG1 : rot 180:sc= 0 USER MOD Set 1.3: A 111 ASN : amide:sc= -0.0477 X(o=-0.048,f=-0.39) USER MOD Set 1.4: A 113 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 105 ASN : amide:sc= 0.0436 X(o=0.042,f=-0.002) USER MOD Set 2.2: A 110 THR OG1 : rot 180:sc=-0.00198 USER MOD Set 3.1: A 81 THR OG1 : rot -109:sc= 0.632 USER MOD Set 3.2: A 93 THR OG1 : rot 130:sc= 0.566 USER MOD Set 4.1: A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 47 HIS :FLIP no HD1:sc= 0.286 F(o=0,f=0.59) USER MOD Set 4.3: A 64 THR OG1 : rot -103:sc= 0.304 USER MOD Set 5.1: A 51 THR OG1 : rot -115:sc= 0.319 USER MOD Set 5.2: A 60 GLN : amide:sc= 0.299 X(o=0.62,f=0.13) USER MOD Set 6.1: A 39 SER OG : rot 180:sc= 0 USER MOD Set 6.2: A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= -0.135 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.814 K(o=-0.81,f=-2.1) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0.243 X(o=0.24,f=0) USER MOD Single : A 14 ASN : amide:sc= -0.0158 K(o=-0.016,f=-0.52) USER MOD Single : A 19 MET CE :methyl 180:sc= -0.114 (180deg=-0.114) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 37:sc= 0.411 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -133:sc= -0.0835 (180deg=-0.741) USER MOD Single : A 61 ASN : amide:sc= -0.918 X(o=-0.92,f=-0.47) USER MOD Single : A 69 CYS SG : rot 180:sc= -0.0173 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 40:sc= 0.279 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= -0.239 X(o=-0.24,f=0) USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=0.00019) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0.05) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 THR OG1 : rot 180:sc= -0.122 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 2 12.736 -9.552 -3.379 1.00 0.00 N ATOM 2 CA SER A 2 11.931 -10.238 -2.360 1.00 0.00 C ATOM 3 C SER A 2 10.880 -9.261 -1.773 1.00 0.00 C ATOM 4 O SER A 2 11.218 -8.183 -1.270 1.00 0.00 O ATOM 5 CB SER A 2 12.855 -10.841 -1.281 1.00 0.00 C ATOM 6 OG SER A 2 12.103 -11.600 -0.339 1.00 0.00 O ATOM 0 HA SER A 2 11.382 -11.065 -2.810 1.00 0.00 H new ATOM 0 HB2 SER A 2 13.605 -11.477 -1.752 1.00 0.00 H new ATOM 0 HB3 SER A 2 13.391 -10.043 -0.767 1.00 0.00 H new ATOM 0 HG SER A 2 12.707 -11.975 0.335 1.00 0.00 H new ATOM 12 N PHE A 3 9.600 -9.672 -1.820 1.00 0.00 N ATOM 13 CA PHE A 3 8.455 -8.844 -1.335 1.00 0.00 C ATOM 14 C PHE A 3 8.350 -8.586 0.207 1.00 0.00 C ATOM 15 O PHE A 3 7.669 -7.625 0.577 1.00 0.00 O ATOM 16 CB PHE A 3 7.126 -9.435 -1.890 1.00 0.00 C ATOM 17 CG PHE A 3 6.791 -9.107 -3.357 1.00 0.00 C ATOM 18 CD1 PHE A 3 6.098 -7.933 -3.678 1.00 0.00 C ATOM 19 CD2 PHE A 3 7.137 -9.998 -4.378 1.00 0.00 C ATOM 20 CE1 PHE A 3 5.758 -7.659 -5.001 1.00 0.00 C ATOM 21 CE2 PHE A 3 6.799 -9.717 -5.699 1.00 0.00 C ATOM 22 CZ PHE A 3 6.107 -8.550 -6.009 1.00 0.00 C ATOM 0 H PHE A 3 9.320 -10.580 -2.191 1.00 0.00 H new ATOM 0 HA PHE A 3 8.655 -7.847 -1.728 1.00 0.00 H new ATOM 0 HB2 PHE A 3 7.163 -10.519 -1.782 1.00 0.00 H new ATOM 0 HB3 PHE A 3 6.307 -9.080 -1.265 1.00 0.00 H new ATOM 0 HD1 PHE A 3 5.826 -7.238 -2.897 1.00 0.00 H new ATOM 0 HD2 PHE A 3 7.669 -10.908 -4.141 1.00 0.00 H new ATOM 0 HE1 PHE A 3 5.223 -6.753 -5.244 1.00 0.00 H new ATOM 0 HE2 PHE A 3 7.074 -10.406 -6.484 1.00 0.00 H new ATOM 0 HZ PHE A 3 5.841 -8.337 -7.034 1.00 0.00 H new ATOM 32 N SER A 4 9.009 -9.367 1.096 1.00 0.00 N ATOM 33 CA SER A 4 9.041 -9.081 2.557 1.00 0.00 C ATOM 34 C SER A 4 9.878 -7.807 2.874 1.00 0.00 C ATOM 35 O SER A 4 11.072 -7.745 2.559 1.00 0.00 O ATOM 36 CB SER A 4 9.612 -10.279 3.351 1.00 0.00 C ATOM 37 OG SER A 4 8.731 -11.393 3.325 1.00 0.00 O ATOM 0 H SER A 4 9.528 -10.203 0.829 1.00 0.00 H new ATOM 0 HA SER A 4 8.010 -8.908 2.865 1.00 0.00 H new ATOM 0 HB2 SER A 4 10.576 -10.567 2.932 1.00 0.00 H new ATOM 0 HB3 SER A 4 9.790 -9.980 4.384 1.00 0.00 H new ATOM 0 HG SER A 4 9.123 -12.132 3.835 1.00 0.00 H new ATOM 43 N GLY A 5 9.232 -6.805 3.491 1.00 0.00 N ATOM 44 CA GLY A 5 9.910 -5.549 3.870 1.00 0.00 C ATOM 45 C GLY A 5 8.947 -4.379 4.147 1.00 0.00 C ATOM 46 O GLY A 5 7.838 -4.290 3.609 1.00 0.00 O ATOM 0 H GLY A 5 8.243 -6.837 3.739 1.00 0.00 H new ATOM 0 HA2 GLY A 5 10.514 -5.728 4.759 1.00 0.00 H new ATOM 0 HA3 GLY A 5 10.595 -5.262 3.072 1.00 0.00 H new ATOM 50 N LYS A 6 9.462 -3.424 4.937 1.00 0.00 N ATOM 51 CA LYS A 6 8.893 -2.052 5.037 1.00 0.00 C ATOM 52 C LYS A 6 9.375 -1.215 3.816 1.00 0.00 C ATOM 53 O LYS A 6 10.528 -1.342 3.385 1.00 0.00 O ATOM 54 CB LYS A 6 9.341 -1.368 6.358 1.00 0.00 C ATOM 55 CG LYS A 6 8.626 -1.807 7.655 1.00 0.00 C ATOM 56 CD LYS A 6 9.055 -3.169 8.239 1.00 0.00 C ATOM 57 CE LYS A 6 8.377 -3.471 9.588 1.00 0.00 C ATOM 58 NZ LYS A 6 8.843 -4.749 10.155 1.00 0.00 N ATOM 0 H LYS A 6 10.282 -3.571 5.526 1.00 0.00 H new ATOM 0 HA LYS A 6 7.805 -2.114 5.038 1.00 0.00 H new ATOM 0 HB2 LYS A 6 10.409 -1.544 6.485 1.00 0.00 H new ATOM 0 HB3 LYS A 6 9.206 -0.292 6.245 1.00 0.00 H new ATOM 0 HG2 LYS A 6 8.790 -1.041 8.413 1.00 0.00 H new ATOM 0 HG3 LYS A 6 7.554 -1.839 7.462 1.00 0.00 H new ATOM 0 HD2 LYS A 6 8.811 -3.959 7.528 1.00 0.00 H new ATOM 0 HD3 LYS A 6 10.137 -3.180 8.369 1.00 0.00 H new ATOM 0 HE2 LYS A 6 8.586 -2.663 10.290 1.00 0.00 H new ATOM 0 HE3 LYS A 6 7.296 -3.505 9.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 8.366 -4.920 11.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 8.621 -5.522 9.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 9.871 -4.707 10.307 1.00 0.00 H new ATOM 72 N TYR A 7 8.493 -0.371 3.253 1.00 0.00 N ATOM 73 CA TYR A 7 8.837 0.461 2.070 1.00 0.00 C ATOM 74 C TYR A 7 8.295 1.891 2.339 1.00 0.00 C ATOM 75 O TYR A 7 7.083 2.118 2.264 1.00 0.00 O ATOM 76 CB TYR A 7 8.282 -0.137 0.742 1.00 0.00 C ATOM 77 CG TYR A 7 8.795 -1.526 0.304 1.00 0.00 C ATOM 78 CD1 TYR A 7 8.125 -2.687 0.716 1.00 0.00 C ATOM 79 CD2 TYR A 7 9.896 -1.643 -0.549 1.00 0.00 C ATOM 80 CE1 TYR A 7 8.563 -3.940 0.295 1.00 0.00 C ATOM 81 CE2 TYR A 7 10.326 -2.898 -0.978 1.00 0.00 C ATOM 82 CZ TYR A 7 9.663 -4.046 -0.547 1.00 0.00 C ATOM 83 OH TYR A 7 10.101 -5.281 -0.948 1.00 0.00 O ATOM 0 H TYR A 7 7.539 -0.242 3.591 1.00 0.00 H new ATOM 0 HA TYR A 7 9.918 0.487 1.935 1.00 0.00 H new ATOM 0 HB2 TYR A 7 7.197 -0.194 0.829 1.00 0.00 H new ATOM 0 HB3 TYR A 7 8.501 0.568 -0.060 1.00 0.00 H new ATOM 0 HD1 TYR A 7 7.264 -2.609 1.364 1.00 0.00 H new ATOM 0 HD2 TYR A 7 10.417 -0.756 -0.878 1.00 0.00 H new ATOM 0 HE1 TYR A 7 8.047 -4.830 0.623 1.00 0.00 H new ATOM 0 HE2 TYR A 7 11.172 -2.981 -1.644 1.00 0.00 H new ATOM 0 HH TYR A 7 10.879 -5.178 -1.535 1.00 0.00 H new ATOM 93 N GLN A 8 9.187 2.857 2.648 1.00 0.00 N ATOM 94 CA GLN A 8 8.775 4.250 2.993 1.00 0.00 C ATOM 95 C GLN A 8 8.519 5.083 1.702 1.00 0.00 C ATOM 96 O GLN A 8 9.428 5.223 0.878 1.00 0.00 O ATOM 97 CB GLN A 8 9.860 4.928 3.889 1.00 0.00 C ATOM 98 CG GLN A 8 9.362 5.790 5.068 1.00 0.00 C ATOM 99 CD GLN A 8 8.467 6.976 4.697 1.00 0.00 C ATOM 100 OE1 GLN A 8 8.929 7.984 4.165 1.00 0.00 O ATOM 101 NE2 GLN A 8 7.177 6.874 4.971 1.00 0.00 N ATOM 0 H GLN A 8 10.196 2.706 2.668 1.00 0.00 H new ATOM 0 HA GLN A 8 7.842 4.208 3.556 1.00 0.00 H new ATOM 0 HB2 GLN A 8 10.504 4.145 4.291 1.00 0.00 H new ATOM 0 HB3 GLN A 8 10.482 5.556 3.250 1.00 0.00 H new ATOM 0 HG2 GLN A 8 8.814 5.147 5.757 1.00 0.00 H new ATOM 0 HG3 GLN A 8 10.230 6.169 5.608 1.00 0.00 H new ATOM 0 HE21 GLN A 8 6.815 6.029 5.413 1.00 0.00 H new ATOM 0 HE22 GLN A 8 6.545 7.640 4.741 1.00 0.00 H new ATOM 110 N LEU A 9 7.303 5.647 1.545 1.00 0.00 N ATOM 111 CA LEU A 9 6.915 6.440 0.340 1.00 0.00 C ATOM 112 C LEU A 9 7.715 7.764 0.230 1.00 0.00 C ATOM 113 O LEU A 9 7.657 8.605 1.129 1.00 0.00 O ATOM 114 CB LEU A 9 5.379 6.695 0.349 1.00 0.00 C ATOM 115 CG LEU A 9 4.758 7.432 -0.877 1.00 0.00 C ATOM 116 CD1 LEU A 9 4.914 6.646 -2.192 1.00 0.00 C ATOM 117 CD2 LEU A 9 3.272 7.745 -0.615 1.00 0.00 C ATOM 0 H LEU A 9 6.561 5.571 2.240 1.00 0.00 H new ATOM 0 HA LEU A 9 7.167 5.858 -0.547 1.00 0.00 H new ATOM 0 HB2 LEU A 9 4.880 5.731 0.449 1.00 0.00 H new ATOM 0 HB3 LEU A 9 5.140 7.271 1.243 1.00 0.00 H new ATOM 0 HG LEU A 9 5.312 8.362 -0.999 1.00 0.00 H new ATOM 0 HD11 LEU A 9 4.462 7.210 -3.008 1.00 0.00 H new ATOM 0 HD12 LEU A 9 5.973 6.491 -2.400 1.00 0.00 H new ATOM 0 HD13 LEU A 9 4.417 5.680 -2.100 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.851 8.260 -1.479 1.00 0.00 H new ATOM 0 HD22 LEU A 9 2.729 6.815 -0.446 1.00 0.00 H new ATOM 0 HD23 LEU A 9 3.184 8.382 0.265 1.00 0.00 H new ATOM 129 N GLN A 10 8.455 7.920 -0.881 1.00 0.00 N ATOM 130 CA GLN A 10 9.334 9.098 -1.112 1.00 0.00 C ATOM 131 C GLN A 10 8.748 10.003 -2.230 1.00 0.00 C ATOM 132 O GLN A 10 8.404 11.153 -1.939 1.00 0.00 O ATOM 133 CB GLN A 10 10.816 8.697 -1.356 1.00 0.00 C ATOM 134 CG GLN A 10 11.460 7.823 -0.248 1.00 0.00 C ATOM 135 CD GLN A 10 12.997 7.889 -0.168 1.00 0.00 C ATOM 136 OE1 GLN A 10 13.699 8.198 -1.131 1.00 0.00 O ATOM 137 NE2 GLN A 10 13.557 7.573 0.989 1.00 0.00 N ATOM 0 H GLN A 10 8.467 7.243 -1.644 1.00 0.00 H new ATOM 0 HA GLN A 10 9.353 9.690 -0.197 1.00 0.00 H new ATOM 0 HB2 GLN A 10 10.878 8.159 -2.302 1.00 0.00 H new ATOM 0 HB3 GLN A 10 11.407 9.606 -1.467 1.00 0.00 H new ATOM 0 HG2 GLN A 10 11.049 8.126 0.715 1.00 0.00 H new ATOM 0 HG3 GLN A 10 11.165 6.786 -0.409 1.00 0.00 H new ATOM 0 HE21 GLN A 10 12.973 7.317 1.785 1.00 0.00 H new ATOM 0 HE22 GLN A 10 14.572 7.585 1.084 1.00 0.00 H new ATOM 146 N SER A 11 8.638 9.502 -3.482 1.00 0.00 N ATOM 147 CA SER A 11 8.123 10.294 -4.628 1.00 0.00 C ATOM 148 C SER A 11 6.734 9.742 -5.037 1.00 0.00 C ATOM 149 O SER A 11 6.620 8.663 -5.625 1.00 0.00 O ATOM 150 CB SER A 11 9.117 10.263 -5.809 1.00 0.00 C ATOM 151 OG SER A 11 10.347 10.893 -5.465 1.00 0.00 O ATOM 0 H SER A 11 8.900 8.547 -3.727 1.00 0.00 H new ATOM 0 HA SER A 11 8.015 11.338 -4.333 1.00 0.00 H new ATOM 0 HB2 SER A 11 9.304 9.230 -6.103 1.00 0.00 H new ATOM 0 HB3 SER A 11 8.677 10.765 -6.671 1.00 0.00 H new ATOM 0 HG SER A 11 10.958 10.857 -6.230 1.00 0.00 H new ATOM 157 N GLN A 12 5.687 10.525 -4.727 1.00 0.00 N ATOM 158 CA GLN A 12 4.303 10.277 -5.208 1.00 0.00 C ATOM 159 C GLN A 12 4.024 11.218 -6.412 1.00 0.00 C ATOM 160 O GLN A 12 4.130 12.446 -6.326 1.00 0.00 O ATOM 161 CB GLN A 12 3.263 10.402 -4.066 1.00 0.00 C ATOM 162 CG GLN A 12 3.155 11.766 -3.337 1.00 0.00 C ATOM 163 CD GLN A 12 3.003 11.657 -1.810 1.00 0.00 C ATOM 164 OE1 GLN A 12 3.980 11.736 -1.066 1.00 0.00 O ATOM 165 NE2 GLN A 12 1.796 11.462 -1.308 1.00 0.00 N ATOM 0 H GLN A 12 5.769 11.351 -4.135 1.00 0.00 H new ATOM 0 HA GLN A 12 4.206 9.247 -5.552 1.00 0.00 H new ATOM 0 HB2 GLN A 12 2.282 10.163 -4.478 1.00 0.00 H new ATOM 0 HB3 GLN A 12 3.490 9.640 -3.320 1.00 0.00 H new ATOM 0 HG2 GLN A 12 4.044 12.356 -3.561 1.00 0.00 H new ATOM 0 HG3 GLN A 12 2.301 12.312 -3.737 1.00 0.00 H new ATOM 0 HE21 GLN A 12 0.990 11.397 -1.929 1.00 0.00 H new ATOM 0 HE22 GLN A 12 1.671 11.376 -0.299 1.00 0.00 H new ATOM 174 N GLU A 13 3.698 10.587 -7.543 1.00 0.00 N ATOM 175 CA GLU A 13 3.606 11.255 -8.869 1.00 0.00 C ATOM 176 C GLU A 13 2.202 11.888 -9.081 1.00 0.00 C ATOM 177 O GLU A 13 2.112 13.115 -9.173 1.00 0.00 O ATOM 178 CB GLU A 13 4.058 10.244 -9.962 1.00 0.00 C ATOM 179 CG GLU A 13 4.417 10.818 -11.351 1.00 0.00 C ATOM 180 CD GLU A 13 3.223 11.221 -12.223 1.00 0.00 C ATOM 181 OE1 GLU A 13 2.511 10.325 -12.727 1.00 0.00 O ATOM 182 OE2 GLU A 13 2.994 12.436 -12.408 1.00 0.00 O ATOM 0 H GLU A 13 3.486 9.590 -7.578 1.00 0.00 H new ATOM 0 HA GLU A 13 4.284 12.106 -8.934 1.00 0.00 H new ATOM 0 HB2 GLU A 13 4.927 9.705 -9.585 1.00 0.00 H new ATOM 0 HB3 GLU A 13 3.262 9.512 -10.095 1.00 0.00 H new ATOM 0 HG2 GLU A 13 5.054 11.691 -11.211 1.00 0.00 H new ATOM 0 HG3 GLU A 13 5.006 10.077 -11.891 1.00 0.00 H new ATOM 189 N ASN A 14 1.133 11.069 -9.146 1.00 0.00 N ATOM 190 CA ASN A 14 -0.265 11.568 -9.243 1.00 0.00 C ATOM 191 C ASN A 14 -1.081 11.169 -7.980 1.00 0.00 C ATOM 192 O ASN A 14 -2.056 10.416 -8.065 1.00 0.00 O ATOM 193 CB ASN A 14 -0.885 11.063 -10.580 1.00 0.00 C ATOM 194 CG ASN A 14 -0.490 11.820 -11.866 1.00 0.00 C ATOM 195 OD1 ASN A 14 0.078 12.912 -11.849 1.00 0.00 O ATOM 196 ND2 ASN A 14 -0.804 11.252 -13.019 1.00 0.00 N ATOM 0 H ASN A 14 1.206 10.052 -9.133 1.00 0.00 H new ATOM 0 HA ASN A 14 -0.286 12.658 -9.265 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -0.611 10.016 -10.706 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -1.970 11.100 -10.485 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -0.575 11.719 -13.897 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -1.275 10.347 -13.030 1.00 0.00 H new ATOM 203 N PHE A 15 -0.727 11.739 -6.807 1.00 0.00 N ATOM 204 CA PHE A 15 -1.579 11.680 -5.585 1.00 0.00 C ATOM 205 C PHE A 15 -2.852 12.581 -5.684 1.00 0.00 C ATOM 206 O PHE A 15 -3.951 12.086 -5.428 1.00 0.00 O ATOM 207 CB PHE A 15 -0.698 11.999 -4.344 1.00 0.00 C ATOM 208 CG PHE A 15 -1.373 11.768 -2.978 1.00 0.00 C ATOM 209 CD1 PHE A 15 -1.328 10.508 -2.370 1.00 0.00 C ATOM 210 CD2 PHE A 15 -2.032 12.819 -2.328 1.00 0.00 C ATOM 211 CE1 PHE A 15 -1.933 10.302 -1.133 1.00 0.00 C ATOM 212 CE2 PHE A 15 -2.644 12.606 -1.096 1.00 0.00 C ATOM 213 CZ PHE A 15 -2.597 11.349 -0.500 1.00 0.00 C ATOM 0 H PHE A 15 0.146 12.249 -6.675 1.00 0.00 H new ATOM 0 HA PHE A 15 -1.977 10.670 -5.481 1.00 0.00 H new ATOM 0 HB2 PHE A 15 0.204 11.388 -4.393 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -0.381 13.040 -4.402 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -0.821 9.691 -2.863 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -2.065 13.797 -2.784 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -1.887 9.330 -0.665 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -3.156 13.418 -0.601 1.00 0.00 H new ATOM 0 HZ PHE A 15 -3.076 11.186 0.454 1.00 0.00 H new ATOM 223 N GLU A 16 -2.706 13.877 -6.033 1.00 0.00 N ATOM 224 CA GLU A 16 -3.837 14.849 -6.081 1.00 0.00 C ATOM 225 C GLU A 16 -4.938 14.518 -7.136 1.00 0.00 C ATOM 226 O GLU A 16 -6.118 14.494 -6.776 1.00 0.00 O ATOM 227 CB GLU A 16 -3.317 16.305 -6.248 1.00 0.00 C ATOM 228 CG GLU A 16 -2.366 16.819 -5.140 1.00 0.00 C ATOM 229 CD GLU A 16 -1.985 18.288 -5.325 1.00 0.00 C ATOM 230 OE1 GLU A 16 -2.759 19.172 -4.896 1.00 0.00 O ATOM 231 OE2 GLU A 16 -0.908 18.568 -5.898 1.00 0.00 O ATOM 0 H GLU A 16 -1.807 14.285 -6.290 1.00 0.00 H new ATOM 0 HA GLU A 16 -4.334 14.756 -5.115 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.800 16.377 -7.205 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.177 16.973 -6.299 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.844 16.691 -4.169 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -1.461 16.211 -5.133 1.00 0.00 H new ATOM 238 N ALA A 17 -4.563 14.224 -8.401 1.00 0.00 N ATOM 239 CA ALA A 17 -5.508 13.710 -9.431 1.00 0.00 C ATOM 240 C ALA A 17 -6.197 12.342 -9.124 1.00 0.00 C ATOM 241 O ALA A 17 -7.391 12.205 -9.405 1.00 0.00 O ATOM 242 CB ALA A 17 -4.774 13.656 -10.785 1.00 0.00 C ATOM 0 H ALA A 17 -3.607 14.333 -8.740 1.00 0.00 H new ATOM 0 HA ALA A 17 -6.341 14.413 -9.443 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -5.452 13.281 -11.552 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -4.437 14.656 -11.056 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -3.913 12.992 -10.706 1.00 0.00 H new ATOM 248 N PHE A 18 -5.474 11.354 -8.549 1.00 0.00 N ATOM 249 CA PHE A 18 -6.049 10.027 -8.175 1.00 0.00 C ATOM 250 C PHE A 18 -7.104 10.093 -7.029 1.00 0.00 C ATOM 251 O PHE A 18 -8.198 9.556 -7.211 1.00 0.00 O ATOM 252 CB PHE A 18 -4.884 9.041 -7.881 1.00 0.00 C ATOM 253 CG PHE A 18 -5.291 7.586 -7.587 1.00 0.00 C ATOM 254 CD1 PHE A 18 -5.552 7.194 -6.268 1.00 0.00 C ATOM 255 CD2 PHE A 18 -5.402 6.645 -8.616 1.00 0.00 C ATOM 256 CE1 PHE A 18 -5.928 5.885 -5.984 1.00 0.00 C ATOM 257 CE2 PHE A 18 -5.774 5.334 -8.328 1.00 0.00 C ATOM 258 CZ PHE A 18 -6.042 4.958 -7.013 1.00 0.00 C ATOM 0 H PHE A 18 -4.482 11.446 -8.330 1.00 0.00 H new ATOM 0 HA PHE A 18 -6.625 9.654 -9.022 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -4.208 9.043 -8.736 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -4.320 9.419 -7.028 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -5.461 7.912 -5.467 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -5.199 6.936 -9.636 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -6.131 5.590 -4.965 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -5.855 4.609 -9.124 1.00 0.00 H new ATOM 0 HZ PHE A 18 -6.339 3.943 -6.793 1.00 0.00 H new ATOM 268 N MET A 19 -6.781 10.728 -5.883 1.00 0.00 N ATOM 269 CA MET A 19 -7.727 10.962 -4.753 1.00 0.00 C ATOM 270 C MET A 19 -9.057 11.678 -5.154 1.00 0.00 C ATOM 271 O MET A 19 -10.124 11.168 -4.809 1.00 0.00 O ATOM 272 CB MET A 19 -6.973 11.709 -3.623 1.00 0.00 C ATOM 273 CG MET A 19 -6.101 10.832 -2.704 1.00 0.00 C ATOM 274 SD MET A 19 -4.823 9.933 -3.613 1.00 0.00 S ATOM 275 CE MET A 19 -4.682 8.433 -2.624 1.00 0.00 C ATOM 0 H MET A 19 -5.848 11.100 -5.707 1.00 0.00 H new ATOM 0 HA MET A 19 -8.062 9.987 -4.398 1.00 0.00 H new ATOM 0 HB2 MET A 19 -6.338 12.470 -4.077 1.00 0.00 H new ATOM 0 HB3 MET A 19 -7.705 12.231 -3.007 1.00 0.00 H new ATOM 0 HG2 MET A 19 -5.630 11.460 -1.948 1.00 0.00 H new ATOM 0 HG3 MET A 19 -6.736 10.120 -2.177 1.00 0.00 H new ATOM 0 HE1 MET A 19 -3.929 7.778 -3.062 1.00 0.00 H new ATOM 0 HE2 MET A 19 -4.389 8.694 -1.607 1.00 0.00 H new ATOM 0 HE3 MET A 19 -5.643 7.919 -2.604 1.00 0.00 H new ATOM 285 N LYS A 20 -9.010 12.788 -5.923 1.00 0.00 N ATOM 286 CA LYS A 20 -10.227 13.410 -6.534 1.00 0.00 C ATOM 287 C LYS A 20 -11.073 12.474 -7.460 1.00 0.00 C ATOM 288 O LYS A 20 -12.304 12.505 -7.374 1.00 0.00 O ATOM 289 CB LYS A 20 -9.859 14.711 -7.305 1.00 0.00 C ATOM 290 CG LYS A 20 -9.272 15.852 -6.446 1.00 0.00 C ATOM 291 CD LYS A 20 -8.973 17.135 -7.242 1.00 0.00 C ATOM 292 CE LYS A 20 -8.273 18.201 -6.377 1.00 0.00 C ATOM 293 NZ LYS A 20 -8.006 19.431 -7.143 1.00 0.00 N ATOM 0 H LYS A 20 -8.144 13.280 -6.141 1.00 0.00 H new ATOM 0 HA LYS A 20 -10.867 13.633 -5.680 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -9.139 14.459 -8.084 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -10.754 15.081 -7.806 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -9.971 16.087 -5.644 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -8.352 15.504 -5.975 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -8.343 16.892 -8.098 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -9.904 17.542 -7.636 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -8.896 18.437 -5.514 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -7.335 17.800 -5.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -7.534 20.126 -6.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -7.391 19.210 -7.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -8.904 19.827 -7.488 1.00 0.00 H new ATOM 307 N ALA A 21 -10.428 11.646 -8.310 1.00 0.00 N ATOM 308 CA ALA A 21 -11.123 10.645 -9.165 1.00 0.00 C ATOM 309 C ALA A 21 -11.767 9.419 -8.443 1.00 0.00 C ATOM 310 O ALA A 21 -12.810 8.952 -8.912 1.00 0.00 O ATOM 311 CB ALA A 21 -10.132 10.190 -10.250 1.00 0.00 C ATOM 0 H ALA A 21 -9.415 11.648 -8.427 1.00 0.00 H new ATOM 0 HA ALA A 21 -11.994 11.154 -9.578 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -10.612 9.454 -10.895 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.825 11.050 -10.846 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.256 9.744 -9.779 1.00 0.00 H new ATOM 317 N ILE A 22 -11.192 8.907 -7.331 1.00 0.00 N ATOM 318 CA ILE A 22 -11.831 7.843 -6.490 1.00 0.00 C ATOM 319 C ILE A 22 -12.980 8.382 -5.566 1.00 0.00 C ATOM 320 O ILE A 22 -14.017 7.722 -5.459 1.00 0.00 O ATOM 321 CB ILE A 22 -10.794 6.935 -5.728 1.00 0.00 C ATOM 322 CG1 ILE A 22 -9.849 7.676 -4.737 1.00 0.00 C ATOM 323 CG2 ILE A 22 -9.959 6.080 -6.712 1.00 0.00 C ATOM 324 CD1 ILE A 22 -9.101 6.794 -3.724 1.00 0.00 C ATOM 0 H ILE A 22 -10.281 9.209 -6.985 1.00 0.00 H new ATOM 0 HA ILE A 22 -12.322 7.180 -7.202 1.00 0.00 H new ATOM 0 HB ILE A 22 -11.420 6.293 -5.108 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -9.112 8.232 -5.317 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -10.438 8.408 -4.185 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -9.254 5.466 -6.152 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -10.623 5.436 -7.288 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -9.411 6.735 -7.389 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -8.475 7.420 -3.089 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -9.822 6.257 -3.107 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -8.475 6.078 -4.257 1.00 0.00 H new ATOM 336 N GLY A 23 -12.800 9.554 -4.926 1.00 0.00 N ATOM 337 CA GLY A 23 -13.834 10.219 -4.100 1.00 0.00 C ATOM 338 C GLY A 23 -13.334 10.558 -2.681 1.00 0.00 C ATOM 339 O GLY A 23 -13.890 10.052 -1.703 1.00 0.00 O ATOM 0 H GLY A 23 -11.923 10.074 -4.967 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -14.156 11.135 -4.596 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -14.708 9.571 -4.028 1.00 0.00 H new ATOM 343 N LEU A 24 -12.299 11.417 -2.586 1.00 0.00 N ATOM 344 CA LEU A 24 -11.642 11.790 -1.305 1.00 0.00 C ATOM 345 C LEU A 24 -11.746 13.335 -1.056 1.00 0.00 C ATOM 346 O LEU A 24 -11.754 14.107 -2.024 1.00 0.00 O ATOM 347 CB LEU A 24 -10.152 11.325 -1.321 1.00 0.00 C ATOM 348 CG LEU A 24 -9.775 9.953 -0.694 1.00 0.00 C ATOM 349 CD1 LEU A 24 -9.480 10.025 0.811 1.00 0.00 C ATOM 350 CD2 LEU A 24 -10.751 8.800 -0.992 1.00 0.00 C ATOM 0 H LEU A 24 -11.889 11.878 -3.398 1.00 0.00 H new ATOM 0 HA LEU A 24 -12.156 11.288 -0.485 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -9.825 11.311 -2.361 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.565 12.090 -0.812 1.00 0.00 H new ATOM 0 HG LEU A 24 -8.848 9.709 -1.213 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -9.225 9.032 1.180 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -8.645 10.703 0.986 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -10.361 10.392 1.337 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -10.396 7.889 -0.509 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -11.740 9.052 -0.609 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -10.808 8.641 -2.069 1.00 0.00 H new ATOM 362 N PRO A 25 -11.786 13.834 0.217 1.00 0.00 N ATOM 363 CA PRO A 25 -11.869 15.289 0.520 1.00 0.00 C ATOM 364 C PRO A 25 -10.541 16.053 0.291 1.00 0.00 C ATOM 365 O PRO A 25 -9.458 15.516 0.535 1.00 0.00 O ATOM 366 CB PRO A 25 -12.255 15.295 2.011 1.00 0.00 C ATOM 367 CG PRO A 25 -11.729 13.983 2.592 1.00 0.00 C ATOM 368 CD PRO A 25 -11.708 12.993 1.427 1.00 0.00 C ATOM 0 HA PRO A 25 -12.574 15.800 -0.136 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -11.816 16.151 2.523 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -13.336 15.370 2.133 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -10.732 14.113 3.013 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -12.371 13.626 3.397 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -10.798 12.393 1.434 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -12.547 12.300 1.482 1.00 0.00 H new ATOM 376 N GLU A 26 -10.648 17.336 -0.098 1.00 0.00 N ATOM 377 CA GLU A 26 -9.466 18.243 -0.220 1.00 0.00 C ATOM 378 C GLU A 26 -8.663 18.516 1.100 1.00 0.00 C ATOM 379 O GLU A 26 -7.457 18.759 1.013 1.00 0.00 O ATOM 380 CB GLU A 26 -9.893 19.539 -0.961 1.00 0.00 C ATOM 381 CG GLU A 26 -8.718 20.368 -1.528 1.00 0.00 C ATOM 382 CD GLU A 26 -9.177 21.565 -2.363 1.00 0.00 C ATOM 383 OE1 GLU A 26 -9.423 22.646 -1.784 1.00 0.00 O ATOM 384 OE2 GLU A 26 -9.295 21.430 -3.601 1.00 0.00 O ATOM 0 H GLU A 26 -11.536 17.779 -0.336 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.727 17.707 -0.815 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -10.561 19.271 -1.780 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -10.464 20.164 -0.275 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -8.100 20.723 -0.703 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -8.089 19.723 -2.142 1.00 0.00 H new ATOM 391 N GLU A 27 -9.282 18.417 2.300 1.00 0.00 N ATOM 392 CA GLU A 27 -8.548 18.364 3.595 1.00 0.00 C ATOM 393 C GLU A 27 -7.587 17.141 3.745 1.00 0.00 C ATOM 394 O GLU A 27 -6.418 17.361 4.072 1.00 0.00 O ATOM 395 CB GLU A 27 -9.542 18.505 4.776 1.00 0.00 C ATOM 396 CG GLU A 27 -8.896 18.794 6.149 1.00 0.00 C ATOM 397 CD GLU A 27 -8.171 20.143 6.261 1.00 0.00 C ATOM 398 OE1 GLU A 27 -6.973 20.217 5.909 1.00 0.00 O ATOM 399 OE2 GLU A 27 -8.798 21.133 6.699 1.00 0.00 O ATOM 0 H GLU A 27 -10.296 18.372 2.402 1.00 0.00 H new ATOM 0 HA GLU A 27 -7.872 19.219 3.610 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -10.243 19.308 4.546 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -10.123 17.586 4.852 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -9.672 18.752 6.913 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -8.185 17.998 6.373 1.00 0.00 H new ATOM 406 N LEU A 28 -8.039 15.891 3.484 1.00 0.00 N ATOM 407 CA LEU A 28 -7.124 14.707 3.431 1.00 0.00 C ATOM 408 C LEU A 28 -6.149 14.618 2.207 1.00 0.00 C ATOM 409 O LEU A 28 -5.165 13.878 2.293 1.00 0.00 O ATOM 410 CB LEU A 28 -7.918 13.377 3.581 1.00 0.00 C ATOM 411 CG LEU A 28 -8.727 13.159 4.895 1.00 0.00 C ATOM 412 CD1 LEU A 28 -9.510 11.831 4.833 1.00 0.00 C ATOM 413 CD2 LEU A 28 -7.857 13.191 6.169 1.00 0.00 C ATOM 0 H LEU A 28 -9.019 15.669 3.308 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.467 14.866 4.286 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.613 13.305 2.744 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.212 12.552 3.481 1.00 0.00 H new ATOM 0 HG LEU A 28 -9.418 13.999 4.964 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -10.069 11.695 5.759 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -10.202 11.856 3.991 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -8.813 11.003 4.705 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -8.487 13.032 7.044 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -7.105 12.404 6.116 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -7.363 14.160 6.248 1.00 0.00 H new ATOM 425 N ILE A 29 -6.374 15.365 1.105 1.00 0.00 N ATOM 426 CA ILE A 29 -5.394 15.519 -0.012 1.00 0.00 C ATOM 427 C ILE A 29 -4.216 16.448 0.416 1.00 0.00 C ATOM 428 O ILE A 29 -3.064 16.034 0.290 1.00 0.00 O ATOM 429 CB ILE A 29 -6.087 15.947 -1.358 1.00 0.00 C ATOM 430 CG1 ILE A 29 -7.146 14.900 -1.806 1.00 0.00 C ATOM 431 CG2 ILE A 29 -5.068 16.176 -2.506 1.00 0.00 C ATOM 432 CD1 ILE A 29 -8.045 15.279 -2.990 1.00 0.00 C ATOM 0 H ILE A 29 -7.240 15.883 0.957 1.00 0.00 H new ATOM 0 HA ILE A 29 -4.958 14.543 -0.225 1.00 0.00 H new ATOM 0 HB ILE A 29 -6.582 16.896 -1.153 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -6.624 13.977 -2.059 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -7.786 14.679 -0.952 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -5.600 16.469 -3.411 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -4.372 16.965 -2.222 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -4.516 15.255 -2.692 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -8.736 14.462 -3.198 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -8.609 16.179 -2.745 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -7.429 15.466 -3.870 1.00 0.00 H new ATOM 444 N GLN A 30 -4.494 17.674 0.900 1.00 0.00 N ATOM 445 CA GLN A 30 -3.442 18.608 1.401 1.00 0.00 C ATOM 446 C GLN A 30 -2.688 18.172 2.701 1.00 0.00 C ATOM 447 O GLN A 30 -1.519 18.537 2.858 1.00 0.00 O ATOM 448 CB GLN A 30 -4.009 20.048 1.561 1.00 0.00 C ATOM 449 CG GLN A 30 -4.590 20.734 0.299 1.00 0.00 C ATOM 450 CD GLN A 30 -3.581 20.953 -0.845 1.00 0.00 C ATOM 451 OE1 GLN A 30 -2.622 21.713 -0.720 1.00 0.00 O ATOM 452 NE2 GLN A 30 -3.776 20.295 -1.978 1.00 0.00 N ATOM 0 H GLN A 30 -5.440 18.051 0.959 1.00 0.00 H new ATOM 0 HA GLN A 30 -2.679 18.580 0.623 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -4.792 20.018 2.318 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -3.212 20.681 1.951 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -5.417 20.131 -0.076 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -5.005 21.700 0.587 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -4.574 19.667 -2.072 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -3.128 20.416 -2.756 1.00 0.00 H new ATOM 461 N LYS A 31 -3.314 17.379 3.598 1.00 0.00 N ATOM 462 CA LYS A 31 -2.611 16.687 4.708 1.00 0.00 C ATOM 463 C LYS A 31 -1.777 15.478 4.178 1.00 0.00 C ATOM 464 O LYS A 31 -0.552 15.492 4.321 1.00 0.00 O ATOM 465 CB LYS A 31 -3.644 16.268 5.792 1.00 0.00 C ATOM 466 CG LYS A 31 -4.176 17.411 6.686 1.00 0.00 C ATOM 467 CD LYS A 31 -5.218 16.921 7.712 1.00 0.00 C ATOM 468 CE LYS A 31 -5.709 18.044 8.643 1.00 0.00 C ATOM 469 NZ LYS A 31 -6.707 17.550 9.609 1.00 0.00 N ATOM 0 H LYS A 31 -4.318 17.199 3.576 1.00 0.00 H new ATOM 0 HA LYS A 31 -1.897 17.370 5.169 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -4.491 15.794 5.297 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -3.186 15.514 6.432 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -3.342 17.874 7.213 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -4.623 18.181 6.058 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -6.070 16.495 7.183 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.783 16.122 8.312 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.861 18.469 9.180 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -6.144 18.847 8.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -7.016 18.333 10.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -7.527 17.167 9.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -6.284 16.801 10.193 1.00 0.00 H new ATOM 483 N GLY A 32 -2.424 14.471 3.552 1.00 0.00 N ATOM 484 CA GLY A 32 -1.743 13.265 3.020 1.00 0.00 C ATOM 485 C GLY A 32 -0.707 13.387 1.870 1.00 0.00 C ATOM 486 O GLY A 32 0.048 12.432 1.667 1.00 0.00 O ATOM 0 H GLY A 32 -3.433 14.469 3.400 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -1.238 12.785 3.858 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -2.520 12.580 2.681 1.00 0.00 H new ATOM 490 N LYS A 33 -0.640 14.520 1.140 1.00 0.00 N ATOM 491 CA LYS A 33 0.467 14.809 0.180 1.00 0.00 C ATOM 492 C LYS A 33 1.859 15.022 0.864 1.00 0.00 C ATOM 493 O LYS A 33 2.847 14.416 0.440 1.00 0.00 O ATOM 494 CB LYS A 33 0.066 15.944 -0.807 1.00 0.00 C ATOM 495 CG LYS A 33 -0.030 17.382 -0.244 1.00 0.00 C ATOM 496 CD LYS A 33 -0.568 18.433 -1.233 1.00 0.00 C ATOM 497 CE LYS A 33 0.323 18.753 -2.450 1.00 0.00 C ATOM 498 NZ LYS A 33 1.635 19.328 -2.097 1.00 0.00 N ATOM 0 H LYS A 33 -1.341 15.259 1.192 1.00 0.00 H new ATOM 0 HA LYS A 33 0.614 13.909 -0.417 1.00 0.00 H new ATOM 0 HB2 LYS A 33 0.788 15.950 -1.623 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -0.901 15.687 -1.239 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -0.674 17.370 0.636 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.960 17.692 0.090 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -1.536 18.092 -1.599 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -0.742 19.359 -0.685 1.00 0.00 H new ATOM 0 HE2 LYS A 33 0.480 17.839 -3.023 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -0.205 19.450 -3.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 2.176 19.516 -2.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 1.495 20.217 -1.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 2.159 18.656 -1.501 1.00 0.00 H new ATOM 512 N ASP A 34 1.910 15.845 1.932 1.00 0.00 N ATOM 513 CA ASP A 34 3.111 16.012 2.799 1.00 0.00 C ATOM 514 C ASP A 34 3.410 14.798 3.740 1.00 0.00 C ATOM 515 O ASP A 34 4.587 14.496 3.958 1.00 0.00 O ATOM 516 CB ASP A 34 2.989 17.319 3.633 1.00 0.00 C ATOM 517 CG ASP A 34 2.920 18.624 2.819 1.00 0.00 C ATOM 518 OD1 ASP A 34 3.982 19.133 2.402 1.00 0.00 O ATOM 519 OD2 ASP A 34 1.800 19.134 2.590 1.00 0.00 O ATOM 0 H ASP A 34 1.119 16.418 2.225 1.00 0.00 H new ATOM 0 HA ASP A 34 3.960 16.070 2.118 1.00 0.00 H new ATOM 0 HB2 ASP A 34 2.095 17.251 4.253 1.00 0.00 H new ATOM 0 HB3 ASP A 34 3.842 17.378 4.309 1.00 0.00 H new ATOM 524 N ILE A 35 2.378 14.105 4.280 1.00 0.00 N ATOM 525 CA ILE A 35 2.545 12.898 5.142 1.00 0.00 C ATOM 526 C ILE A 35 2.972 11.706 4.227 1.00 0.00 C ATOM 527 O ILE A 35 2.251 11.319 3.301 1.00 0.00 O ATOM 528 CB ILE A 35 1.238 12.570 5.957 1.00 0.00 C ATOM 529 CG1 ILE A 35 0.719 13.739 6.856 1.00 0.00 C ATOM 530 CG2 ILE A 35 1.391 11.296 6.833 1.00 0.00 C ATOM 531 CD1 ILE A 35 -0.767 13.633 7.243 1.00 0.00 C ATOM 0 H ILE A 35 1.402 14.364 4.133 1.00 0.00 H new ATOM 0 HA ILE A 35 3.317 13.086 5.888 1.00 0.00 H new ATOM 0 HB ILE A 35 0.492 12.400 5.180 1.00 0.00 H new ATOM 0 HG12 ILE A 35 1.317 13.774 7.766 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.879 14.682 6.333 1.00 0.00 H new ATOM 0 HG21 ILE A 35 0.463 11.113 7.375 1.00 0.00 H new ATOM 0 HG22 ILE A 35 1.613 10.440 6.195 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.204 11.439 7.545 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.042 14.484 7.866 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.379 13.631 6.341 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.934 12.709 7.797 1.00 0.00 H new ATOM 543 N LYS A 36 4.143 11.128 4.538 1.00 0.00 N ATOM 544 CA LYS A 36 4.695 9.967 3.798 1.00 0.00 C ATOM 545 C LYS A 36 4.181 8.656 4.462 1.00 0.00 C ATOM 546 O LYS A 36 4.441 8.404 5.645 1.00 0.00 O ATOM 547 CB LYS A 36 6.245 10.037 3.804 1.00 0.00 C ATOM 548 CG LYS A 36 6.879 11.191 2.990 1.00 0.00 C ATOM 549 CD LYS A 36 8.420 11.184 3.049 1.00 0.00 C ATOM 550 CE LYS A 36 9.063 12.219 2.110 1.00 0.00 C ATOM 551 NZ LYS A 36 10.534 12.152 2.180 1.00 0.00 N ATOM 0 H LYS A 36 4.736 11.446 5.305 1.00 0.00 H new ATOM 0 HA LYS A 36 4.364 9.983 2.760 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.580 10.122 4.838 1.00 0.00 H new ATOM 0 HB3 LYS A 36 6.632 9.093 3.420 1.00 0.00 H new ATOM 0 HG2 LYS A 36 6.559 11.116 1.951 1.00 0.00 H new ATOM 0 HG3 LYS A 36 6.509 12.144 3.369 1.00 0.00 H new ATOM 0 HD2 LYS A 36 8.740 11.382 4.072 1.00 0.00 H new ATOM 0 HD3 LYS A 36 8.783 10.190 2.788 1.00 0.00 H new ATOM 0 HE2 LYS A 36 8.735 12.040 1.086 1.00 0.00 H new ATOM 0 HE3 LYS A 36 8.727 13.220 2.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 10.945 12.860 1.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 10.844 12.346 3.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 10.852 11.203 1.898 1.00 0.00 H new ATOM 565 N GLY A 37 3.441 7.838 3.692 1.00 0.00 N ATOM 566 CA GLY A 37 2.844 6.581 4.201 1.00 0.00 C ATOM 567 C GLY A 37 3.747 5.346 4.007 1.00 0.00 C ATOM 568 O GLY A 37 4.301 5.140 2.922 1.00 0.00 O ATOM 0 H GLY A 37 3.239 8.023 2.709 1.00 0.00 H new ATOM 0 HA2 GLY A 37 2.624 6.697 5.262 1.00 0.00 H new ATOM 0 HA3 GLY A 37 1.894 6.409 3.695 1.00 0.00 H new ATOM 572 N VAL A 38 3.863 4.504 5.052 1.00 0.00 N ATOM 573 CA VAL A 38 4.714 3.277 5.009 1.00 0.00 C ATOM 574 C VAL A 38 3.854 2.127 4.404 1.00 0.00 C ATOM 575 O VAL A 38 2.857 1.701 4.996 1.00 0.00 O ATOM 576 CB VAL A 38 5.322 2.885 6.403 1.00 0.00 C ATOM 577 CG1 VAL A 38 6.350 1.731 6.290 1.00 0.00 C ATOM 578 CG2 VAL A 38 6.007 4.047 7.160 1.00 0.00 C ATOM 0 H VAL A 38 3.382 4.642 5.941 1.00 0.00 H new ATOM 0 HA VAL A 38 5.584 3.474 4.383 1.00 0.00 H new ATOM 0 HB VAL A 38 4.448 2.574 6.975 1.00 0.00 H new ATOM 0 HG11 VAL A 38 6.743 1.495 7.279 1.00 0.00 H new ATOM 0 HG12 VAL A 38 5.863 0.849 5.874 1.00 0.00 H new ATOM 0 HG13 VAL A 38 7.168 2.035 5.638 1.00 0.00 H new ATOM 0 HG21 VAL A 38 6.396 3.682 8.111 1.00 0.00 H new ATOM 0 HG22 VAL A 38 6.827 4.440 6.559 1.00 0.00 H new ATOM 0 HG23 VAL A 38 5.281 4.839 7.345 1.00 0.00 H new ATOM 588 N SER A 39 4.280 1.627 3.232 1.00 0.00 N ATOM 589 CA SER A 39 3.651 0.456 2.573 1.00 0.00 C ATOM 590 C SER A 39 4.416 -0.825 2.972 1.00 0.00 C ATOM 591 O SER A 39 5.501 -1.114 2.459 1.00 0.00 O ATOM 592 CB SER A 39 3.570 0.648 1.044 1.00 0.00 C ATOM 593 OG SER A 39 4.822 0.983 0.448 1.00 0.00 O ATOM 0 H SER A 39 5.066 2.017 2.712 1.00 0.00 H new ATOM 0 HA SER A 39 2.621 0.356 2.916 1.00 0.00 H new ATOM 0 HB2 SER A 39 3.193 -0.268 0.590 1.00 0.00 H new ATOM 0 HB3 SER A 39 2.848 1.434 0.822 1.00 0.00 H new ATOM 0 HG SER A 39 4.706 1.090 -0.519 1.00 0.00 H new ATOM 599 N GLU A 40 3.819 -1.582 3.900 1.00 0.00 N ATOM 600 CA GLU A 40 4.355 -2.885 4.350 1.00 0.00 C ATOM 601 C GLU A 40 3.762 -4.023 3.486 1.00 0.00 C ATOM 602 O GLU A 40 2.589 -4.005 3.098 1.00 0.00 O ATOM 603 CB GLU A 40 3.996 -3.119 5.835 1.00 0.00 C ATOM 604 CG GLU A 40 4.763 -2.258 6.857 1.00 0.00 C ATOM 605 CD GLU A 40 3.876 -1.280 7.639 1.00 0.00 C ATOM 606 OE1 GLU A 40 3.651 -0.149 7.158 1.00 0.00 O ATOM 607 OE2 GLU A 40 3.390 -1.646 8.732 1.00 0.00 O ATOM 0 H GLU A 40 2.951 -1.314 4.364 1.00 0.00 H new ATOM 0 HA GLU A 40 5.440 -2.878 4.241 1.00 0.00 H new ATOM 0 HB2 GLU A 40 2.929 -2.937 5.964 1.00 0.00 H new ATOM 0 HB3 GLU A 40 4.171 -4.169 6.070 1.00 0.00 H new ATOM 0 HG2 GLU A 40 5.271 -2.916 7.562 1.00 0.00 H new ATOM 0 HG3 GLU A 40 5.535 -1.694 6.334 1.00 0.00 H new ATOM 614 N ILE A 41 4.617 -5.012 3.202 1.00 0.00 N ATOM 615 CA ILE A 41 4.228 -6.236 2.444 1.00 0.00 C ATOM 616 C ILE A 41 4.947 -7.416 3.170 1.00 0.00 C ATOM 617 O ILE A 41 6.162 -7.376 3.390 1.00 0.00 O ATOM 618 CB ILE A 41 4.571 -6.152 0.910 1.00 0.00 C ATOM 619 CG1 ILE A 41 3.891 -4.953 0.174 1.00 0.00 C ATOM 620 CG2 ILE A 41 4.205 -7.462 0.161 1.00 0.00 C ATOM 621 CD1 ILE A 41 4.480 -4.609 -1.200 1.00 0.00 C ATOM 0 H ILE A 41 5.597 -5.000 3.484 1.00 0.00 H new ATOM 0 HA ILE A 41 3.147 -6.372 2.445 1.00 0.00 H new ATOM 0 HB ILE A 41 5.649 -5.995 0.884 1.00 0.00 H new ATOM 0 HG12 ILE A 41 2.831 -5.177 0.051 1.00 0.00 H new ATOM 0 HG13 ILE A 41 3.959 -4.071 0.811 1.00 0.00 H new ATOM 0 HG21 ILE A 41 4.458 -7.361 -0.894 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.763 -8.294 0.590 1.00 0.00 H new ATOM 0 HG23 ILE A 41 3.136 -7.652 0.261 1.00 0.00 H new ATOM 0 HD11 ILE A 41 3.939 -3.764 -1.627 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.532 -4.347 -1.090 1.00 0.00 H new ATOM 0 HD13 ILE A 41 4.388 -5.470 -1.861 1.00 0.00 H new ATOM 633 N VAL A 42 4.179 -8.466 3.513 1.00 0.00 N ATOM 634 CA VAL A 42 4.692 -9.659 4.247 1.00 0.00 C ATOM 635 C VAL A 42 4.494 -10.866 3.280 1.00 0.00 C ATOM 636 O VAL A 42 3.378 -11.369 3.119 1.00 0.00 O ATOM 637 CB VAL A 42 3.976 -9.830 5.636 1.00 0.00 C ATOM 638 CG1 VAL A 42 4.446 -11.084 6.410 1.00 0.00 C ATOM 639 CG2 VAL A 42 4.139 -8.610 6.576 1.00 0.00 C ATOM 0 H VAL A 42 3.184 -8.521 3.294 1.00 0.00 H new ATOM 0 HA VAL A 42 5.746 -9.564 4.507 1.00 0.00 H new ATOM 0 HB VAL A 42 2.926 -9.934 5.364 1.00 0.00 H new ATOM 0 HG11 VAL A 42 3.915 -11.146 7.360 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.237 -11.976 5.819 1.00 0.00 H new ATOM 0 HG13 VAL A 42 5.518 -11.016 6.597 1.00 0.00 H new ATOM 0 HG21 VAL A 42 3.618 -8.802 7.514 1.00 0.00 H new ATOM 0 HG22 VAL A 42 5.198 -8.443 6.776 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.716 -7.725 6.100 1.00 0.00 H new ATOM 649 N GLN A 43 5.596 -11.327 2.660 1.00 0.00 N ATOM 650 CA GLN A 43 5.586 -12.493 1.736 1.00 0.00 C ATOM 651 C GLN A 43 5.716 -13.824 2.527 1.00 0.00 C ATOM 652 O GLN A 43 6.613 -13.987 3.362 1.00 0.00 O ATOM 653 CB GLN A 43 6.741 -12.312 0.710 1.00 0.00 C ATOM 654 CG GLN A 43 6.979 -13.426 -0.339 1.00 0.00 C ATOM 655 CD GLN A 43 5.871 -13.603 -1.389 1.00 0.00 C ATOM 656 OE1 GLN A 43 4.719 -13.891 -1.065 1.00 0.00 O ATOM 657 NE2 GLN A 43 6.201 -13.472 -2.666 1.00 0.00 N ATOM 0 H GLN A 43 6.518 -10.909 2.780 1.00 0.00 H new ATOM 0 HA GLN A 43 4.638 -12.542 1.200 1.00 0.00 H new ATOM 0 HB2 GLN A 43 6.563 -11.382 0.171 1.00 0.00 H new ATOM 0 HB3 GLN A 43 7.666 -12.183 1.272 1.00 0.00 H new ATOM 0 HG2 GLN A 43 7.915 -13.217 -0.857 1.00 0.00 H new ATOM 0 HG3 GLN A 43 7.110 -14.372 0.187 1.00 0.00 H new ATOM 0 HE21 GLN A 43 7.159 -13.233 -2.923 1.00 0.00 H new ATOM 0 HE22 GLN A 43 5.497 -13.610 -3.391 1.00 0.00 H new ATOM 666 N ASN A 44 4.831 -14.782 2.200 1.00 0.00 N ATOM 667 CA ASN A 44 4.953 -16.195 2.653 1.00 0.00 C ATOM 668 C ASN A 44 4.648 -17.124 1.438 1.00 0.00 C ATOM 669 O ASN A 44 3.588 -17.758 1.374 1.00 0.00 O ATOM 670 CB ASN A 44 4.029 -16.472 3.878 1.00 0.00 C ATOM 671 CG ASN A 44 4.398 -15.747 5.188 1.00 0.00 C ATOM 672 OD1 ASN A 44 3.897 -14.660 5.476 1.00 0.00 O ATOM 673 ND2 ASN A 44 5.270 -16.325 5.999 1.00 0.00 N ATOM 0 H ASN A 44 4.012 -14.609 1.617 1.00 0.00 H new ATOM 0 HA ASN A 44 5.966 -16.400 3.000 1.00 0.00 H new ATOM 0 HB2 ASN A 44 3.010 -16.194 3.608 1.00 0.00 H new ATOM 0 HB3 ASN A 44 4.027 -17.545 4.069 1.00 0.00 H new ATOM 0 HD21 ASN A 44 5.533 -15.870 6.873 1.00 0.00 H new ATOM 0 HD22 ASN A 44 5.679 -17.226 5.750 1.00 0.00 H new ATOM 680 N GLY A 45 5.584 -17.199 0.467 1.00 0.00 N ATOM 681 CA GLY A 45 5.421 -18.026 -0.755 1.00 0.00 C ATOM 682 C GLY A 45 4.441 -17.421 -1.784 1.00 0.00 C ATOM 683 O GLY A 45 4.770 -16.446 -2.461 1.00 0.00 O ATOM 0 H GLY A 45 6.469 -16.693 0.504 1.00 0.00 H new ATOM 0 HA2 GLY A 45 6.395 -18.158 -1.227 1.00 0.00 H new ATOM 0 HA3 GLY A 45 5.068 -19.017 -0.469 1.00 0.00 H new ATOM 687 N LYS A 46 3.237 -18.008 -1.862 1.00 0.00 N ATOM 688 CA LYS A 46 2.063 -17.404 -2.561 1.00 0.00 C ATOM 689 C LYS A 46 1.038 -16.645 -1.649 1.00 0.00 C ATOM 690 O LYS A 46 0.243 -15.862 -2.176 1.00 0.00 O ATOM 691 CB LYS A 46 1.415 -18.405 -3.550 1.00 0.00 C ATOM 692 CG LYS A 46 1.009 -19.799 -3.045 1.00 0.00 C ATOM 693 CD LYS A 46 -0.366 -19.892 -2.357 1.00 0.00 C ATOM 694 CE LYS A 46 -0.743 -21.346 -2.017 1.00 0.00 C ATOM 695 NZ LYS A 46 -2.099 -21.443 -1.450 1.00 0.00 N ATOM 0 H LYS A 46 3.037 -18.917 -1.445 1.00 0.00 H new ATOM 0 HA LYS A 46 2.475 -16.588 -3.154 1.00 0.00 H new ATOM 0 HB2 LYS A 46 0.523 -17.931 -3.959 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.110 -18.545 -4.378 1.00 0.00 H new ATOM 0 HG2 LYS A 46 1.018 -20.487 -3.890 1.00 0.00 H new ATOM 0 HG3 LYS A 46 1.768 -20.146 -2.344 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -0.356 -19.297 -1.444 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -1.127 -19.463 -3.008 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -0.681 -21.957 -2.917 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -0.022 -21.751 -1.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -2.315 -22.437 -1.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -2.151 -20.880 -0.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -2.790 -21.080 -2.138 1.00 0.00 H new ATOM 709 N HIS A 47 1.066 -16.829 -0.312 1.00 0.00 N ATOM 710 CA HIS A 47 0.262 -16.036 0.657 1.00 0.00 C ATOM 711 C HIS A 47 0.891 -14.628 0.902 1.00 0.00 C ATOM 712 O HIS A 47 2.108 -14.432 0.808 1.00 0.00 O ATOM 713 CB HIS A 47 0.144 -16.812 2.002 1.00 0.00 C ATOM 714 CG HIS A 47 -0.732 -18.070 1.965 1.00 0.00 C ATOM 715 ND1 HIS A 47 -2.101 -18.119 2.277 1.00 0.00 N flip ATOM 716 CD2 HIS A 47 -0.282 -19.336 1.636 1.00 0.00 C flip ATOM 717 CE1 HIS A 47 -2.601 -19.408 2.153 1.00 0.00 C flip ATOM 718 NE2 HIS A 47 -1.445 -20.043 1.774 1.00 0.00 N flip ATOM 0 H HIS A 47 1.650 -17.536 0.134 1.00 0.00 H new ATOM 0 HA HIS A 47 -0.732 -15.888 0.234 1.00 0.00 H new ATOM 0 HB2 HIS A 47 1.145 -17.097 2.326 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -0.255 -16.135 2.758 1.00 0.00 H new ATOM 0 HD2 HIS A 47 0.705 -19.670 1.352 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -3.598 -19.794 2.308 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -1.453 -21.047 1.594 1.00 0.00 H new ATOM 726 N PHE A 48 0.020 -13.653 1.205 1.00 0.00 N ATOM 727 CA PHE A 48 0.400 -12.222 1.355 1.00 0.00 C ATOM 728 C PHE A 48 -0.476 -11.549 2.445 1.00 0.00 C ATOM 729 O PHE A 48 -1.685 -11.783 2.529 1.00 0.00 O ATOM 730 CB PHE A 48 0.209 -11.460 0.010 1.00 0.00 C ATOM 731 CG PHE A 48 1.386 -11.553 -0.974 1.00 0.00 C ATOM 732 CD1 PHE A 48 2.416 -10.610 -0.906 1.00 0.00 C ATOM 733 CD2 PHE A 48 1.397 -12.510 -1.995 1.00 0.00 C ATOM 734 CE1 PHE A 48 3.422 -10.601 -1.865 1.00 0.00 C ATOM 735 CE2 PHE A 48 2.410 -12.503 -2.951 1.00 0.00 C ATOM 736 CZ PHE A 48 3.414 -11.539 -2.892 1.00 0.00 C ATOM 0 H PHE A 48 -0.974 -13.826 1.355 1.00 0.00 H new ATOM 0 HA PHE A 48 1.449 -12.179 1.647 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -0.685 -11.844 -0.482 1.00 0.00 H new ATOM 0 HB3 PHE A 48 0.024 -10.409 0.231 1.00 0.00 H new ATOM 0 HD1 PHE A 48 2.430 -9.886 -0.105 1.00 0.00 H new ATOM 0 HD2 PHE A 48 0.618 -13.256 -2.042 1.00 0.00 H new ATOM 0 HE1 PHE A 48 4.211 -9.865 -1.813 1.00 0.00 H new ATOM 0 HE2 PHE A 48 2.417 -13.244 -3.737 1.00 0.00 H new ATOM 0 HZ PHE A 48 4.188 -11.520 -3.645 1.00 0.00 H new ATOM 746 N LYS A 49 0.146 -10.646 3.225 1.00 0.00 N ATOM 747 CA LYS A 49 -0.575 -9.688 4.104 1.00 0.00 C ATOM 748 C LYS A 49 0.129 -8.317 3.919 1.00 0.00 C ATOM 749 O LYS A 49 1.272 -8.128 4.348 1.00 0.00 O ATOM 750 CB LYS A 49 -0.532 -10.141 5.584 1.00 0.00 C ATOM 751 CG LYS A 49 -1.367 -9.279 6.566 1.00 0.00 C ATOM 752 CD LYS A 49 -1.039 -9.498 8.060 1.00 0.00 C ATOM 753 CE LYS A 49 -1.257 -10.914 8.630 1.00 0.00 C ATOM 754 NZ LYS A 49 -2.678 -11.309 8.671 1.00 0.00 N ATOM 0 H LYS A 49 1.161 -10.555 3.269 1.00 0.00 H new ATOM 0 HA LYS A 49 -1.630 -9.629 3.836 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.884 -11.171 5.642 1.00 0.00 H new ATOM 0 HB3 LYS A 49 0.506 -10.139 5.917 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -1.213 -8.227 6.325 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -2.424 -9.492 6.406 1.00 0.00 H new ATOM 0 HD2 LYS A 49 0.005 -9.227 8.220 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -1.642 -8.803 8.644 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -0.704 -11.632 8.025 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -0.844 -10.961 9.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -2.760 -12.269 9.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -3.206 -10.644 9.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -3.071 -11.294 7.708 1.00 0.00 H new ATOM 768 N PHE A 50 -0.593 -7.353 3.332 1.00 0.00 N ATOM 769 CA PHE A 50 -0.146 -5.931 3.290 1.00 0.00 C ATOM 770 C PHE A 50 -0.694 -5.126 4.500 1.00 0.00 C ATOM 771 O PHE A 50 -1.802 -5.383 4.981 1.00 0.00 O ATOM 772 CB PHE A 50 -0.429 -5.254 1.919 1.00 0.00 C ATOM 773 CG PHE A 50 -1.880 -5.087 1.417 1.00 0.00 C ATOM 774 CD1 PHE A 50 -2.745 -4.149 1.995 1.00 0.00 C ATOM 775 CD2 PHE A 50 -2.301 -5.794 0.285 1.00 0.00 C ATOM 776 CE1 PHE A 50 -3.997 -3.906 1.437 1.00 0.00 C ATOM 777 CE2 PHE A 50 -3.552 -5.549 -0.274 1.00 0.00 C ATOM 778 CZ PHE A 50 -4.396 -4.599 0.296 1.00 0.00 C ATOM 0 H PHE A 50 -1.490 -7.520 2.877 1.00 0.00 H new ATOM 0 HA PHE A 50 0.940 -5.931 3.387 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.018 -4.260 1.952 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.111 -5.821 1.161 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.438 -3.611 2.880 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.651 -6.534 -0.158 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -4.658 -3.181 1.888 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -3.868 -6.096 -1.150 1.00 0.00 H new ATOM 0 HZ PHE A 50 -5.361 -4.399 -0.147 1.00 0.00 H new ATOM 788 N THR A 51 0.088 -4.128 4.954 1.00 0.00 N ATOM 789 CA THR A 51 -0.350 -3.171 6.007 1.00 0.00 C ATOM 790 C THR A 51 0.040 -1.750 5.502 1.00 0.00 C ATOM 791 O THR A 51 1.154 -1.276 5.741 1.00 0.00 O ATOM 792 CB THR A 51 0.252 -3.553 7.398 1.00 0.00 C ATOM 793 OG1 THR A 51 -0.031 -4.913 7.718 1.00 0.00 O ATOM 794 CG2 THR A 51 -0.278 -2.699 8.557 1.00 0.00 C ATOM 0 H THR A 51 1.033 -3.957 4.610 1.00 0.00 H new ATOM 0 HA THR A 51 -1.427 -3.200 6.171 1.00 0.00 H new ATOM 0 HB THR A 51 1.323 -3.377 7.294 1.00 0.00 H new ATOM 0 HG1 THR A 51 -0.616 -4.949 8.503 1.00 0.00 H new ATOM 0 HG21 THR A 51 0.185 -3.023 9.489 1.00 0.00 H new ATOM 0 HG22 THR A 51 -0.037 -1.651 8.377 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.359 -2.815 8.630 1.00 0.00 H new ATOM 802 N ILE A 52 -0.889 -1.072 4.798 1.00 0.00 N ATOM 803 CA ILE A 52 -0.638 0.277 4.207 1.00 0.00 C ATOM 804 C ILE A 52 -1.094 1.318 5.268 1.00 0.00 C ATOM 805 O ILE A 52 -2.287 1.473 5.540 1.00 0.00 O ATOM 806 CB ILE A 52 -1.343 0.506 2.823 1.00 0.00 C ATOM 807 CG1 ILE A 52 -1.227 -0.648 1.781 1.00 0.00 C ATOM 808 CG2 ILE A 52 -0.934 1.850 2.164 1.00 0.00 C ATOM 809 CD1 ILE A 52 0.186 -1.063 1.340 1.00 0.00 C ATOM 0 H ILE A 52 -1.827 -1.431 4.619 1.00 0.00 H new ATOM 0 HA ILE A 52 0.423 0.379 3.978 1.00 0.00 H new ATOM 0 HB ILE A 52 -2.395 0.533 3.106 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -1.722 -1.526 2.195 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -1.785 -0.356 0.892 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -1.449 1.959 1.210 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.208 2.676 2.821 1.00 0.00 H new ATOM 0 HG23 ILE A 52 0.143 1.861 1.998 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.117 -1.874 0.615 1.00 0.00 H new ATOM 0 HD12 ILE A 52 0.690 -0.211 0.884 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.754 -1.399 2.208 1.00 0.00 H new ATOM 821 N THR A 53 -0.113 2.022 5.845 1.00 0.00 N ATOM 822 CA THR A 53 -0.347 3.007 6.934 1.00 0.00 C ATOM 823 C THR A 53 -0.345 4.430 6.312 1.00 0.00 C ATOM 824 O THR A 53 0.719 5.019 6.096 1.00 0.00 O ATOM 825 CB THR A 53 0.684 2.849 8.095 1.00 0.00 C ATOM 826 OG1 THR A 53 2.021 3.037 7.637 1.00 0.00 O ATOM 827 CG2 THR A 53 0.625 1.500 8.831 1.00 0.00 C ATOM 0 H THR A 53 0.867 1.933 5.578 1.00 0.00 H new ATOM 0 HA THR A 53 -1.318 2.826 7.395 1.00 0.00 H new ATOM 0 HB THR A 53 0.396 3.626 8.803 1.00 0.00 H new ATOM 0 HG1 THR A 53 2.038 3.745 6.959 1.00 0.00 H new ATOM 0 HG21 THR A 53 1.377 1.483 9.620 1.00 0.00 H new ATOM 0 HG22 THR A 53 -0.364 1.368 9.270 1.00 0.00 H new ATOM 0 HG23 THR A 53 0.820 0.692 8.126 1.00 0.00 H new ATOM 835 N ALA A 54 -1.544 4.969 6.023 1.00 0.00 N ATOM 836 CA ALA A 54 -1.698 6.342 5.474 1.00 0.00 C ATOM 837 C ALA A 54 -2.012 7.337 6.625 1.00 0.00 C ATOM 838 O ALA A 54 -3.176 7.631 6.920 1.00 0.00 O ATOM 839 CB ALA A 54 -2.775 6.314 4.373 1.00 0.00 C ATOM 0 H ALA A 54 -2.427 4.477 6.159 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.773 6.691 5.015 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.899 7.315 3.960 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.468 5.631 3.581 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -3.721 5.976 4.797 1.00 0.00 H new ATOM 845 N GLY A 55 -0.944 7.817 7.294 1.00 0.00 N ATOM 846 CA GLY A 55 -1.061 8.707 8.469 1.00 0.00 C ATOM 847 C GLY A 55 -1.530 7.978 9.743 1.00 0.00 C ATOM 848 O GLY A 55 -0.793 7.164 10.307 1.00 0.00 O ATOM 0 H GLY A 55 0.019 7.601 7.037 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -0.094 9.173 8.661 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -1.762 9.510 8.239 1.00 0.00 H new ATOM 852 N SER A 56 -2.770 8.276 10.162 1.00 0.00 N ATOM 853 CA SER A 56 -3.427 7.601 11.315 1.00 0.00 C ATOM 854 C SER A 56 -4.101 6.234 10.982 1.00 0.00 C ATOM 855 O SER A 56 -3.928 5.288 11.758 1.00 0.00 O ATOM 856 CB SER A 56 -4.401 8.580 12.013 1.00 0.00 C ATOM 857 OG SER A 56 -5.476 8.978 11.166 1.00 0.00 O ATOM 0 H SER A 56 -3.352 8.988 9.719 1.00 0.00 H new ATOM 0 HA SER A 56 -2.629 7.331 12.006 1.00 0.00 H new ATOM 0 HB2 SER A 56 -4.804 8.109 12.909 1.00 0.00 H new ATOM 0 HB3 SER A 56 -3.852 9.464 12.337 1.00 0.00 H new ATOM 0 HG SER A 56 -6.064 9.594 11.651 1.00 0.00 H new ATOM 863 N LYS A 57 -4.862 6.119 9.868 1.00 0.00 N ATOM 864 CA LYS A 57 -5.609 4.880 9.517 1.00 0.00 C ATOM 865 C LYS A 57 -4.652 3.748 9.033 1.00 0.00 C ATOM 866 O LYS A 57 -3.776 3.966 8.189 1.00 0.00 O ATOM 867 CB LYS A 57 -6.694 5.219 8.455 1.00 0.00 C ATOM 868 CG LYS A 57 -7.725 4.091 8.218 1.00 0.00 C ATOM 869 CD LYS A 57 -8.832 4.460 7.211 1.00 0.00 C ATOM 870 CE LYS A 57 -9.802 3.290 6.966 1.00 0.00 C ATOM 871 NZ LYS A 57 -10.906 3.672 6.070 1.00 0.00 N ATOM 0 H LYS A 57 -4.977 6.873 9.191 1.00 0.00 H new ATOM 0 HA LYS A 57 -6.102 4.497 10.411 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -7.223 6.119 8.767 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -6.202 5.450 7.510 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -7.203 3.204 7.860 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -8.186 3.827 9.170 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -9.388 5.320 7.583 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -8.378 4.758 6.266 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -9.257 2.451 6.534 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -10.208 2.949 7.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -11.808 3.349 6.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -10.925 4.706 5.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -10.766 3.231 5.139 1.00 0.00 H new ATOM 885 N VAL A 58 -4.868 2.542 9.584 1.00 0.00 N ATOM 886 CA VAL A 58 -4.096 1.319 9.227 1.00 0.00 C ATOM 887 C VAL A 58 -5.033 0.475 8.308 1.00 0.00 C ATOM 888 O VAL A 58 -6.048 -0.061 8.767 1.00 0.00 O ATOM 889 CB VAL A 58 -3.625 0.554 10.514 1.00 0.00 C ATOM 890 CG1 VAL A 58 -2.841 -0.737 10.184 1.00 0.00 C ATOM 891 CG2 VAL A 58 -2.747 1.409 11.465 1.00 0.00 C ATOM 0 H VAL A 58 -5.583 2.377 10.293 1.00 0.00 H new ATOM 0 HA VAL A 58 -3.173 1.553 8.696 1.00 0.00 H new ATOM 0 HB VAL A 58 -4.558 0.308 11.021 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -2.539 -1.226 11.110 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -3.475 -1.411 9.608 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -1.955 -0.486 9.601 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -2.461 0.812 12.331 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -1.851 1.736 10.937 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -3.311 2.281 11.796 1.00 0.00 H new ATOM 901 N ILE A 59 -4.666 0.361 7.017 1.00 0.00 N ATOM 902 CA ILE A 59 -5.454 -0.398 6.003 1.00 0.00 C ATOM 903 C ILE A 59 -4.731 -1.770 5.845 1.00 0.00 C ATOM 904 O ILE A 59 -3.799 -1.902 5.043 1.00 0.00 O ATOM 905 CB ILE A 59 -5.623 0.403 4.655 1.00 0.00 C ATOM 906 CG1 ILE A 59 -6.311 1.799 4.789 1.00 0.00 C ATOM 907 CG2 ILE A 59 -6.420 -0.418 3.609 1.00 0.00 C ATOM 908 CD1 ILE A 59 -5.383 2.975 5.125 1.00 0.00 C ATOM 0 H ILE A 59 -3.820 0.787 6.640 1.00 0.00 H new ATOM 0 HA ILE A 59 -6.483 -0.557 6.324 1.00 0.00 H new ATOM 0 HB ILE A 59 -4.596 0.577 4.333 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -6.823 2.021 3.853 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -7.076 1.733 5.563 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -6.520 0.161 2.691 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -5.891 -1.347 3.396 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -7.410 -0.646 4.003 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -5.968 3.892 5.193 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -4.889 2.788 6.078 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -4.632 3.081 4.342 1.00 0.00 H new ATOM 920 N GLN A 60 -5.176 -2.777 6.621 1.00 0.00 N ATOM 921 CA GLN A 60 -4.568 -4.133 6.624 1.00 0.00 C ATOM 922 C GLN A 60 -5.571 -5.126 5.985 1.00 0.00 C ATOM 923 O GLN A 60 -6.678 -5.332 6.498 1.00 0.00 O ATOM 924 CB GLN A 60 -4.174 -4.541 8.065 1.00 0.00 C ATOM 925 CG GLN A 60 -3.333 -5.834 8.160 1.00 0.00 C ATOM 926 CD GLN A 60 -2.853 -6.140 9.587 1.00 0.00 C ATOM 927 OE1 GLN A 60 -1.855 -5.593 10.056 1.00 0.00 O ATOM 928 NE2 GLN A 60 -3.542 -7.017 10.303 1.00 0.00 N ATOM 0 H GLN A 60 -5.963 -2.680 7.263 1.00 0.00 H new ATOM 0 HA GLN A 60 -3.651 -4.142 6.034 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -3.613 -3.724 8.519 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -5.082 -4.670 8.653 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -3.926 -6.673 7.795 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -2.467 -5.746 7.503 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -4.368 -7.464 9.905 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -3.247 -7.244 11.252 1.00 0.00 H new ATOM 937 N ASN A 61 -5.155 -5.728 4.862 1.00 0.00 N ATOM 938 CA ASN A 61 -5.991 -6.694 4.097 1.00 0.00 C ATOM 939 C ASN A 61 -5.056 -7.747 3.440 1.00 0.00 C ATOM 940 O ASN A 61 -4.039 -7.411 2.819 1.00 0.00 O ATOM 941 CB ASN A 61 -6.873 -6.024 3.007 1.00 0.00 C ATOM 942 CG ASN A 61 -7.929 -5.016 3.490 1.00 0.00 C ATOM 943 OD1 ASN A 61 -9.032 -5.383 3.896 1.00 0.00 O ATOM 944 ND2 ASN A 61 -7.608 -3.734 3.450 1.00 0.00 N ATOM 0 H ASN A 61 -4.235 -5.567 4.451 1.00 0.00 H new ATOM 0 HA ASN A 61 -6.679 -7.159 4.803 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -6.214 -5.515 2.303 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -7.384 -6.811 2.453 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -8.279 -3.030 3.759 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -6.689 -3.449 3.111 1.00 0.00 H new ATOM 951 N GLU A 62 -5.441 -9.028 3.575 1.00 0.00 N ATOM 952 CA GLU A 62 -4.648 -10.189 3.105 1.00 0.00 C ATOM 953 C GLU A 62 -5.291 -10.857 1.857 1.00 0.00 C ATOM 954 O GLU A 62 -6.516 -10.940 1.712 1.00 0.00 O ATOM 955 CB GLU A 62 -4.420 -11.188 4.276 1.00 0.00 C ATOM 956 CG GLU A 62 -5.668 -11.836 4.914 1.00 0.00 C ATOM 957 CD GLU A 62 -5.327 -12.808 6.044 1.00 0.00 C ATOM 958 OE1 GLU A 62 -4.914 -13.953 5.754 1.00 0.00 O ATOM 959 OE2 GLU A 62 -5.469 -12.432 7.229 1.00 0.00 O ATOM 0 H GLU A 62 -6.320 -9.295 4.018 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.669 -9.837 2.779 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.773 -11.988 3.915 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.873 -10.666 5.061 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -6.319 -11.052 5.301 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -6.229 -12.366 4.144 1.00 0.00 H new ATOM 966 N PHE A 63 -4.409 -11.357 0.979 1.00 0.00 N ATOM 967 CA PHE A 63 -4.788 -12.140 -0.228 1.00 0.00 C ATOM 968 C PHE A 63 -3.921 -13.429 -0.373 1.00 0.00 C ATOM 969 O PHE A 63 -2.874 -13.595 0.259 1.00 0.00 O ATOM 970 CB PHE A 63 -4.785 -11.243 -1.505 1.00 0.00 C ATOM 971 CG PHE A 63 -3.426 -10.713 -2.009 1.00 0.00 C ATOM 972 CD1 PHE A 63 -2.657 -11.491 -2.882 1.00 0.00 C ATOM 973 CD2 PHE A 63 -2.957 -9.451 -1.621 1.00 0.00 C ATOM 974 CE1 PHE A 63 -1.441 -11.016 -3.359 1.00 0.00 C ATOM 975 CE2 PHE A 63 -1.739 -8.978 -2.106 1.00 0.00 C ATOM 976 CZ PHE A 63 -0.985 -9.761 -2.971 1.00 0.00 C ATOM 0 H PHE A 63 -3.401 -11.233 1.079 1.00 0.00 H new ATOM 0 HA PHE A 63 -5.814 -12.487 -0.102 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -5.244 -11.811 -2.314 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -5.429 -10.385 -1.313 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -3.010 -12.465 -3.186 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -3.540 -8.844 -0.945 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -0.851 -11.621 -4.031 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -1.381 -8.003 -1.809 1.00 0.00 H new ATOM 0 HZ PHE A 63 -0.040 -9.393 -3.344 1.00 0.00 H new ATOM 986 N THR A 64 -4.371 -14.322 -1.271 1.00 0.00 N ATOM 987 CA THR A 64 -3.591 -15.506 -1.719 1.00 0.00 C ATOM 988 C THR A 64 -3.612 -15.493 -3.277 1.00 0.00 C ATOM 989 O THR A 64 -4.669 -15.346 -3.901 1.00 0.00 O ATOM 990 CB THR A 64 -4.175 -16.805 -1.089 1.00 0.00 C ATOM 991 OG1 THR A 64 -4.178 -16.698 0.331 1.00 0.00 O ATOM 992 CG2 THR A 64 -3.388 -18.079 -1.436 1.00 0.00 C ATOM 0 H THR A 64 -5.288 -14.250 -1.712 1.00 0.00 H new ATOM 0 HA THR A 64 -2.554 -15.473 -1.385 1.00 0.00 H new ATOM 0 HB THR A 64 -5.178 -16.896 -1.505 1.00 0.00 H new ATOM 0 HG1 THR A 64 -3.441 -17.228 0.701 1.00 0.00 H new ATOM 0 HG21 THR A 64 -3.859 -18.939 -0.959 1.00 0.00 H new ATOM 0 HG22 THR A 64 -3.383 -18.221 -2.517 1.00 0.00 H new ATOM 0 HG23 THR A 64 -2.363 -17.982 -1.078 1.00 0.00 H new ATOM 1000 N VAL A 65 -2.428 -15.671 -3.897 1.00 0.00 N ATOM 1001 CA VAL A 65 -2.261 -15.632 -5.382 1.00 0.00 C ATOM 1002 C VAL A 65 -2.902 -16.910 -6.013 1.00 0.00 C ATOM 1003 O VAL A 65 -2.620 -18.038 -5.592 1.00 0.00 O ATOM 1004 CB VAL A 65 -0.751 -15.442 -5.767 1.00 0.00 C ATOM 1005 CG1 VAL A 65 -0.453 -15.528 -7.282 1.00 0.00 C ATOM 1006 CG2 VAL A 65 -0.156 -14.105 -5.267 1.00 0.00 C ATOM 0 H VAL A 65 -1.558 -15.846 -3.394 1.00 0.00 H new ATOM 0 HA VAL A 65 -2.786 -14.770 -5.793 1.00 0.00 H new ATOM 0 HB VAL A 65 -0.280 -16.286 -5.263 1.00 0.00 H new ATOM 0 HG11 VAL A 65 0.614 -15.385 -7.452 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -0.752 -16.507 -7.657 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -1.011 -14.753 -7.807 1.00 0.00 H new ATOM 0 HG21 VAL A 65 0.890 -14.037 -5.567 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -0.712 -13.274 -5.701 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -0.226 -14.060 -4.180 1.00 0.00 H new ATOM 1016 N GLY A 66 -3.786 -16.689 -7.002 1.00 0.00 N ATOM 1017 CA GLY A 66 -4.698 -17.744 -7.506 1.00 0.00 C ATOM 1018 C GLY A 66 -6.138 -17.642 -6.955 1.00 0.00 C ATOM 1019 O GLY A 66 -7.092 -17.593 -7.736 1.00 0.00 O ATOM 0 H GLY A 66 -3.892 -15.790 -7.472 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -4.731 -17.692 -8.594 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -4.288 -18.720 -7.246 1.00 0.00 H new ATOM 1023 N GLU A 67 -6.283 -17.636 -5.615 1.00 0.00 N ATOM 1024 CA GLU A 67 -7.603 -17.606 -4.931 1.00 0.00 C ATOM 1025 C GLU A 67 -8.197 -16.168 -4.860 1.00 0.00 C ATOM 1026 O GLU A 67 -7.476 -15.173 -4.724 1.00 0.00 O ATOM 1027 CB GLU A 67 -7.468 -18.197 -3.495 1.00 0.00 C ATOM 1028 CG GLU A 67 -7.006 -19.669 -3.363 1.00 0.00 C ATOM 1029 CD GLU A 67 -7.966 -20.694 -3.977 1.00 0.00 C ATOM 1030 OE1 GLU A 67 -8.951 -21.080 -3.309 1.00 0.00 O ATOM 1031 OE2 GLU A 67 -7.740 -21.116 -5.133 1.00 0.00 O ATOM 0 H GLU A 67 -5.492 -17.652 -4.971 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.291 -18.214 -5.519 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.766 -17.574 -2.941 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.435 -18.104 -3.002 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -6.030 -19.774 -3.837 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.873 -19.902 -2.306 1.00 0.00 H new ATOM 1038 N GLU A 68 -9.539 -16.089 -4.923 1.00 0.00 N ATOM 1039 CA GLU A 68 -10.287 -14.809 -4.829 1.00 0.00 C ATOM 1040 C GLU A 68 -10.503 -14.424 -3.335 1.00 0.00 C ATOM 1041 O GLU A 68 -11.181 -15.146 -2.595 1.00 0.00 O ATOM 1042 CB GLU A 68 -11.622 -14.974 -5.606 1.00 0.00 C ATOM 1043 CG GLU A 68 -12.404 -13.658 -5.785 1.00 0.00 C ATOM 1044 CD GLU A 68 -13.636 -13.797 -6.678 1.00 0.00 C ATOM 1045 OE1 GLU A 68 -13.500 -13.679 -7.916 1.00 0.00 O ATOM 1046 OE2 GLU A 68 -14.746 -14.025 -6.149 1.00 0.00 O ATOM 0 H GLU A 68 -10.140 -16.905 -5.040 1.00 0.00 H new ATOM 0 HA GLU A 68 -9.725 -13.990 -5.278 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -11.410 -15.396 -6.588 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -12.252 -15.691 -5.080 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -12.714 -13.293 -4.806 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -11.740 -12.905 -6.210 1.00 0.00 H new ATOM 1053 N CYS A 69 -9.909 -13.291 -2.913 1.00 0.00 N ATOM 1054 CA CYS A 69 -9.918 -12.844 -1.493 1.00 0.00 C ATOM 1055 C CYS A 69 -10.357 -11.360 -1.353 1.00 0.00 C ATOM 1056 O CYS A 69 -10.112 -10.522 -2.231 1.00 0.00 O ATOM 1057 CB CYS A 69 -8.513 -13.047 -0.891 1.00 0.00 C ATOM 1058 SG CYS A 69 -8.052 -14.813 -0.915 1.00 0.00 S ATOM 0 H CYS A 69 -9.410 -12.658 -3.538 1.00 0.00 H new ATOM 0 HA CYS A 69 -10.647 -13.445 -0.949 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -7.783 -12.467 -1.455 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -8.493 -12.674 0.133 1.00 0.00 H new ATOM 0 HG CYS A 69 -6.865 -14.959 -0.405 1.00 0.00 H new ATOM 1064 N GLU A 70 -10.984 -11.047 -0.200 1.00 0.00 N ATOM 1065 CA GLU A 70 -11.492 -9.684 0.125 1.00 0.00 C ATOM 1066 C GLU A 70 -10.353 -8.649 0.361 1.00 0.00 C ATOM 1067 O GLU A 70 -9.435 -8.902 1.145 1.00 0.00 O ATOM 1068 CB GLU A 70 -12.545 -9.707 1.268 1.00 0.00 C ATOM 1069 CG GLU A 70 -12.201 -10.373 2.612 1.00 0.00 C ATOM 1070 CD GLU A 70 -11.198 -9.644 3.515 1.00 0.00 C ATOM 1071 OE1 GLU A 70 -11.487 -8.509 3.957 1.00 0.00 O ATOM 1072 OE2 GLU A 70 -10.113 -10.205 3.788 1.00 0.00 O ATOM 0 H GLU A 70 -11.156 -11.729 0.538 1.00 0.00 H new ATOM 0 HA GLU A 70 -12.017 -9.333 -0.764 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -12.819 -8.673 1.478 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -13.436 -10.200 0.879 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -13.127 -10.504 3.172 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -11.809 -11.369 2.406 1.00 0.00 H new ATOM 1079 N LEU A 71 -10.426 -7.502 -0.342 1.00 0.00 N ATOM 1080 CA LEU A 71 -9.414 -6.415 -0.234 1.00 0.00 C ATOM 1081 C LEU A 71 -10.145 -5.042 -0.281 1.00 0.00 C ATOM 1082 O LEU A 71 -10.889 -4.756 -1.223 1.00 0.00 O ATOM 1083 CB LEU A 71 -8.337 -6.481 -1.359 1.00 0.00 C ATOM 1084 CG LEU A 71 -7.365 -7.697 -1.397 1.00 0.00 C ATOM 1085 CD1 LEU A 71 -6.432 -7.604 -2.622 1.00 0.00 C ATOM 1086 CD2 LEU A 71 -6.518 -7.833 -0.115 1.00 0.00 C ATOM 0 H LEU A 71 -11.180 -7.297 -0.998 1.00 0.00 H new ATOM 0 HA LEU A 71 -8.888 -6.541 0.712 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -8.857 -6.444 -2.316 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -7.732 -5.577 -1.290 1.00 0.00 H new ATOM 0 HG LEU A 71 -7.991 -8.587 -1.470 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -5.759 -8.462 -2.633 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.029 -7.599 -3.534 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -5.848 -6.685 -2.566 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.861 -8.698 -0.203 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -5.917 -6.934 0.021 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.176 -7.963 0.744 1.00 0.00 H new ATOM 1098 N GLU A 72 -9.889 -4.189 0.730 1.00 0.00 N ATOM 1099 CA GLU A 72 -10.473 -2.823 0.828 1.00 0.00 C ATOM 1100 C GLU A 72 -9.484 -1.756 0.269 1.00 0.00 C ATOM 1101 O GLU A 72 -8.268 -1.818 0.483 1.00 0.00 O ATOM 1102 CB GLU A 72 -10.866 -2.572 2.313 1.00 0.00 C ATOM 1103 CG GLU A 72 -11.613 -1.252 2.609 1.00 0.00 C ATOM 1104 CD GLU A 72 -12.135 -1.154 4.043 1.00 0.00 C ATOM 1105 OE1 GLU A 72 -11.315 -1.020 4.979 1.00 0.00 O ATOM 1106 OE2 GLU A 72 -13.369 -1.209 4.242 1.00 0.00 O ATOM 0 H GLU A 72 -9.271 -4.422 1.507 1.00 0.00 H new ATOM 0 HA GLU A 72 -11.370 -2.740 0.214 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -11.490 -3.401 2.647 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -9.958 -2.594 2.916 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -10.943 -0.414 2.417 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -12.451 -1.155 1.919 1.00 0.00 H new ATOM 1113 N THR A 73 -10.058 -0.740 -0.402 1.00 0.00 N ATOM 1114 CA THR A 73 -9.318 0.457 -0.909 1.00 0.00 C ATOM 1115 C THR A 73 -8.932 1.423 0.278 1.00 0.00 C ATOM 1116 O THR A 73 -9.278 1.180 1.441 1.00 0.00 O ATOM 1117 CB THR A 73 -10.195 1.078 -2.056 1.00 0.00 C ATOM 1118 OG1 THR A 73 -10.561 0.078 -3.009 1.00 0.00 O ATOM 1119 CG2 THR A 73 -9.546 2.201 -2.886 1.00 0.00 C ATOM 0 H THR A 73 -11.055 -0.716 -0.615 1.00 0.00 H new ATOM 0 HA THR A 73 -8.349 0.209 -1.342 1.00 0.00 H new ATOM 0 HB THR A 73 -11.034 1.502 -1.504 1.00 0.00 H new ATOM 0 HG1 THR A 73 -11.108 0.483 -3.714 1.00 0.00 H new ATOM 0 HG21 THR A 73 -10.249 2.546 -3.644 1.00 0.00 H new ATOM 0 HG22 THR A 73 -9.282 3.031 -2.231 1.00 0.00 H new ATOM 0 HG23 THR A 73 -8.647 1.821 -3.371 1.00 0.00 H new ATOM 1127 N MET A 74 -8.173 2.505 0.000 1.00 0.00 N ATOM 1128 CA MET A 74 -7.635 3.440 1.043 1.00 0.00 C ATOM 1129 C MET A 74 -8.675 4.022 2.054 1.00 0.00 C ATOM 1130 O MET A 74 -8.465 3.897 3.265 1.00 0.00 O ATOM 1131 CB MET A 74 -6.789 4.580 0.410 1.00 0.00 C ATOM 1132 CG MET A 74 -5.498 4.131 -0.293 1.00 0.00 C ATOM 1133 SD MET A 74 -4.538 5.584 -0.765 1.00 0.00 S ATOM 1134 CE MET A 74 -3.102 4.795 -1.516 1.00 0.00 C ATOM 0 H MET A 74 -7.909 2.765 -0.950 1.00 0.00 H new ATOM 0 HA MET A 74 -6.996 2.797 1.649 1.00 0.00 H new ATOM 0 HB2 MET A 74 -7.409 5.112 -0.311 1.00 0.00 H new ATOM 0 HB3 MET A 74 -6.528 5.293 1.192 1.00 0.00 H new ATOM 0 HG2 MET A 74 -4.912 3.494 0.370 1.00 0.00 H new ATOM 0 HG3 MET A 74 -5.738 3.538 -1.175 1.00 0.00 H new ATOM 0 HE1 MET A 74 -2.406 5.559 -1.862 1.00 0.00 H new ATOM 0 HE2 MET A 74 -2.608 4.162 -0.779 1.00 0.00 H new ATOM 0 HE3 MET A 74 -3.422 4.186 -2.361 1.00 0.00 H new ATOM 1144 N THR A 75 -9.792 4.609 1.578 1.00 0.00 N ATOM 1145 CA THR A 75 -10.974 4.903 2.437 1.00 0.00 C ATOM 1146 C THR A 75 -12.228 4.459 1.634 1.00 0.00 C ATOM 1147 O THR A 75 -12.696 5.190 0.752 1.00 0.00 O ATOM 1148 CB THR A 75 -11.051 6.383 2.930 1.00 0.00 C ATOM 1149 OG1 THR A 75 -11.046 7.297 1.840 1.00 0.00 O ATOM 1150 CG2 THR A 75 -9.941 6.802 3.910 1.00 0.00 C ATOM 0 H THR A 75 -9.907 4.891 0.605 1.00 0.00 H new ATOM 0 HA THR A 75 -10.898 4.345 3.370 1.00 0.00 H new ATOM 0 HB THR A 75 -11.995 6.423 3.473 1.00 0.00 H new ATOM 0 HG1 THR A 75 -11.593 6.938 1.110 1.00 0.00 H new ATOM 0 HG21 THR A 75 -10.081 7.845 4.194 1.00 0.00 H new ATOM 0 HG22 THR A 75 -9.986 6.175 4.800 1.00 0.00 H new ATOM 0 HG23 THR A 75 -8.969 6.684 3.431 1.00 0.00 H new ATOM 1158 N GLY A 76 -12.758 3.255 1.929 1.00 0.00 N ATOM 1159 CA GLY A 76 -13.938 2.728 1.212 1.00 0.00 C ATOM 1160 C GLY A 76 -14.460 1.391 1.773 1.00 0.00 C ATOM 1161 O GLY A 76 -14.729 1.270 2.973 1.00 0.00 O ATOM 0 H GLY A 76 -12.393 2.634 2.651 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -14.738 3.467 1.256 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -13.683 2.596 0.160 1.00 0.00 H new ATOM 1165 N GLU A 77 -14.668 0.423 0.864 1.00 0.00 N ATOM 1166 CA GLU A 77 -15.370 -0.860 1.157 1.00 0.00 C ATOM 1167 C GLU A 77 -14.618 -2.045 0.473 1.00 0.00 C ATOM 1168 O GLU A 77 -13.928 -1.875 -0.540 1.00 0.00 O ATOM 1169 CB GLU A 77 -16.849 -0.713 0.690 1.00 0.00 C ATOM 1170 CG GLU A 77 -17.797 -1.869 1.083 1.00 0.00 C ATOM 1171 CD GLU A 77 -19.258 -1.600 0.711 1.00 0.00 C ATOM 1172 OE1 GLU A 77 -19.658 -1.910 -0.432 1.00 0.00 O ATOM 1173 OE2 GLU A 77 -20.012 -1.078 1.563 1.00 0.00 O ATOM 0 H GLU A 77 -14.356 0.499 -0.104 1.00 0.00 H new ATOM 0 HA GLU A 77 -15.373 -1.083 2.224 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -17.249 0.215 1.099 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -16.859 -0.613 -0.395 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -17.466 -2.785 0.593 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -17.727 -2.039 2.157 1.00 0.00 H new ATOM 1180 N LYS A 78 -14.783 -3.264 1.033 1.00 0.00 N ATOM 1181 CA LYS A 78 -14.186 -4.512 0.478 1.00 0.00 C ATOM 1182 C LYS A 78 -14.804 -4.862 -0.910 1.00 0.00 C ATOM 1183 O LYS A 78 -15.969 -5.261 -1.012 1.00 0.00 O ATOM 1184 CB LYS A 78 -14.348 -5.718 1.451 1.00 0.00 C ATOM 1185 CG LYS A 78 -13.417 -5.778 2.684 1.00 0.00 C ATOM 1186 CD LYS A 78 -13.795 -4.854 3.859 1.00 0.00 C ATOM 1187 CE LYS A 78 -12.843 -5.013 5.058 1.00 0.00 C ATOM 1188 NZ LYS A 78 -13.234 -4.139 6.179 1.00 0.00 N ATOM 0 H LYS A 78 -15.331 -3.417 1.880 1.00 0.00 H new ATOM 0 HA LYS A 78 -13.120 -4.321 0.352 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -15.378 -5.725 1.808 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -14.204 -6.633 0.877 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -13.394 -6.805 3.048 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -12.405 -5.530 2.363 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -13.781 -3.817 3.522 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -14.815 -5.072 4.176 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -12.843 -6.052 5.388 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -11.825 -4.777 4.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -12.572 -4.271 6.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -13.210 -3.146 5.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -14.196 -4.382 6.489 1.00 0.00 H new ATOM 1202 N VAL A 79 -13.990 -4.690 -1.966 1.00 0.00 N ATOM 1203 CA VAL A 79 -14.376 -5.010 -3.373 1.00 0.00 C ATOM 1204 C VAL A 79 -14.258 -6.524 -3.747 1.00 0.00 C ATOM 1205 O VAL A 79 -15.111 -7.006 -4.495 1.00 0.00 O ATOM 1206 CB VAL A 79 -13.650 -4.095 -4.420 1.00 0.00 C ATOM 1207 CG1 VAL A 79 -14.137 -2.628 -4.384 1.00 0.00 C ATOM 1208 CG2 VAL A 79 -12.104 -4.129 -4.369 1.00 0.00 C ATOM 0 H VAL A 79 -13.041 -4.325 -1.879 1.00 0.00 H new ATOM 0 HA VAL A 79 -15.441 -4.782 -3.420 1.00 0.00 H new ATOM 0 HB VAL A 79 -13.940 -4.546 -5.369 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -13.597 -2.047 -5.131 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -15.205 -2.594 -4.600 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -13.953 -2.208 -3.395 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -11.700 -3.463 -5.132 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -11.765 -3.802 -3.386 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -11.756 -5.145 -4.553 1.00 0.00 H new ATOM 1218 N LYS A 80 -13.215 -7.246 -3.269 1.00 0.00 N ATOM 1219 CA LYS A 80 -12.950 -8.677 -3.590 1.00 0.00 C ATOM 1220 C LYS A 80 -12.404 -8.835 -5.041 1.00 0.00 C ATOM 1221 O LYS A 80 -13.149 -8.688 -6.016 1.00 0.00 O ATOM 1222 CB LYS A 80 -14.107 -9.637 -3.181 1.00 0.00 C ATOM 1223 CG LYS A 80 -13.786 -11.138 -3.329 1.00 0.00 C ATOM 1224 CD LYS A 80 -14.845 -12.105 -2.764 1.00 0.00 C ATOM 1225 CE LYS A 80 -14.841 -12.219 -1.226 1.00 0.00 C ATOM 1226 NZ LYS A 80 -15.838 -13.197 -0.758 1.00 0.00 N ATOM 0 H LYS A 80 -12.520 -6.846 -2.638 1.00 0.00 H new ATOM 0 HA LYS A 80 -12.141 -9.022 -2.946 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -14.375 -9.438 -2.143 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -14.983 -9.406 -3.787 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -13.647 -11.359 -4.387 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -12.836 -11.338 -2.834 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -15.832 -11.776 -3.090 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -14.682 -13.095 -3.191 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -13.849 -12.516 -0.884 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -15.051 -11.244 -0.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -15.811 -13.251 0.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -16.786 -12.900 -1.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -15.622 -14.132 -1.159 1.00 0.00 H new ATOM 1240 N THR A 81 -11.091 -9.114 -5.151 1.00 0.00 N ATOM 1241 CA THR A 81 -10.358 -9.152 -6.448 1.00 0.00 C ATOM 1242 C THR A 81 -9.256 -10.261 -6.419 1.00 0.00 C ATOM 1243 O THR A 81 -8.708 -10.610 -5.365 1.00 0.00 O ATOM 1244 CB THR A 81 -9.836 -7.729 -6.833 1.00 0.00 C ATOM 1245 OG1 THR A 81 -9.239 -7.775 -8.123 1.00 0.00 O ATOM 1246 CG2 THR A 81 -8.836 -7.071 -5.863 1.00 0.00 C ATOM 0 H THR A 81 -10.500 -9.321 -4.346 1.00 0.00 H new ATOM 0 HA THR A 81 -11.040 -9.434 -7.250 1.00 0.00 H new ATOM 0 HB THR A 81 -10.728 -7.104 -6.795 1.00 0.00 H new ATOM 0 HG1 THR A 81 -8.268 -7.669 -8.038 1.00 0.00 H new ATOM 0 HG21 THR A 81 -8.552 -6.090 -6.243 1.00 0.00 H new ATOM 0 HG22 THR A 81 -9.299 -6.960 -4.883 1.00 0.00 H new ATOM 0 HG23 THR A 81 -7.948 -7.697 -5.776 1.00 0.00 H new ATOM 1254 N VAL A 82 -8.937 -10.801 -7.614 1.00 0.00 N ATOM 1255 CA VAL A 82 -7.967 -11.924 -7.781 1.00 0.00 C ATOM 1256 C VAL A 82 -6.597 -11.304 -8.196 1.00 0.00 C ATOM 1257 O VAL A 82 -6.514 -10.543 -9.169 1.00 0.00 O ATOM 1258 CB VAL A 82 -8.436 -13.002 -8.825 1.00 0.00 C ATOM 1259 CG1 VAL A 82 -7.575 -14.286 -8.735 1.00 0.00 C ATOM 1260 CG2 VAL A 82 -9.915 -13.438 -8.721 1.00 0.00 C ATOM 0 H VAL A 82 -9.339 -10.477 -8.494 1.00 0.00 H new ATOM 0 HA VAL A 82 -7.887 -12.460 -6.835 1.00 0.00 H new ATOM 0 HB VAL A 82 -8.312 -12.488 -9.778 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -7.925 -15.011 -9.470 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -6.532 -14.040 -8.936 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -7.661 -14.712 -7.735 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -10.129 -14.183 -9.487 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -10.099 -13.867 -7.736 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -10.561 -12.572 -8.866 1.00 0.00 H new ATOM 1270 N VAL A 83 -5.529 -11.669 -7.463 1.00 0.00 N ATOM 1271 CA VAL A 83 -4.156 -11.142 -7.709 1.00 0.00 C ATOM 1272 C VAL A 83 -3.322 -12.260 -8.406 1.00 0.00 C ATOM 1273 O VAL A 83 -3.258 -13.396 -7.922 1.00 0.00 O ATOM 1274 CB VAL A 83 -3.467 -10.618 -6.399 1.00 0.00 C ATOM 1275 CG1 VAL A 83 -2.167 -9.841 -6.717 1.00 0.00 C ATOM 1276 CG2 VAL A 83 -4.358 -9.728 -5.494 1.00 0.00 C ATOM 0 H VAL A 83 -5.582 -12.331 -6.689 1.00 0.00 H new ATOM 0 HA VAL A 83 -4.218 -10.271 -8.362 1.00 0.00 H new ATOM 0 HB VAL A 83 -3.254 -11.529 -5.839 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -1.715 -9.492 -5.788 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -1.469 -10.497 -7.236 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -2.400 -8.985 -7.351 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.790 -9.418 -4.617 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.676 -8.846 -6.051 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -5.235 -10.293 -5.178 1.00 0.00 H new ATOM 1286 N GLN A 84 -2.659 -11.904 -9.523 1.00 0.00 N ATOM 1287 CA GLN A 84 -1.685 -12.791 -10.218 1.00 0.00 C ATOM 1288 C GLN A 84 -0.263 -12.199 -10.042 1.00 0.00 C ATOM 1289 O GLN A 84 -0.028 -11.005 -10.260 1.00 0.00 O ATOM 1290 CB GLN A 84 -2.011 -12.932 -11.731 1.00 0.00 C ATOM 1291 CG GLN A 84 -3.026 -14.029 -12.129 1.00 0.00 C ATOM 1292 CD GLN A 84 -4.452 -13.901 -11.561 1.00 0.00 C ATOM 1293 OE1 GLN A 84 -5.084 -12.846 -11.613 1.00 0.00 O ATOM 1294 NE2 GLN A 84 -4.986 -14.982 -11.017 1.00 0.00 N ATOM 0 H GLN A 84 -2.778 -10.997 -9.974 1.00 0.00 H new ATOM 0 HA GLN A 84 -1.745 -13.786 -9.777 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -2.390 -11.974 -12.087 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -1.079 -13.123 -12.262 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -3.095 -14.048 -13.217 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -2.623 -14.993 -11.818 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -4.453 -15.851 -10.980 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -5.931 -14.947 -10.635 1.00 0.00 H new ATOM 1303 N LEU A 85 0.691 -13.080 -9.703 1.00 0.00 N ATOM 1304 CA LEU A 85 2.126 -12.730 -9.604 1.00 0.00 C ATOM 1305 C LEU A 85 2.808 -13.105 -10.949 1.00 0.00 C ATOM 1306 O LEU A 85 3.056 -14.284 -11.226 1.00 0.00 O ATOM 1307 CB LEU A 85 2.730 -13.415 -8.346 1.00 0.00 C ATOM 1308 CG LEU A 85 4.252 -13.230 -8.114 1.00 0.00 C ATOM 1309 CD1 LEU A 85 4.724 -11.762 -8.143 1.00 0.00 C ATOM 1310 CD2 LEU A 85 4.705 -13.903 -6.802 1.00 0.00 C ATOM 0 H LEU A 85 0.494 -14.058 -9.489 1.00 0.00 H new ATOM 0 HA LEU A 85 2.291 -11.662 -9.461 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.204 -13.039 -7.468 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.523 -14.483 -8.408 1.00 0.00 H new ATOM 0 HG LEU A 85 4.727 -13.723 -8.962 1.00 0.00 H new ATOM 0 HD11 LEU A 85 5.800 -11.722 -7.972 1.00 0.00 H new ATOM 0 HD12 LEU A 85 4.494 -11.325 -9.115 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.212 -11.200 -7.362 1.00 0.00 H new ATOM 0 HD21 LEU A 85 5.777 -13.755 -6.668 1.00 0.00 H new ATOM 0 HD22 LEU A 85 4.170 -13.460 -5.962 1.00 0.00 H new ATOM 0 HD23 LEU A 85 4.489 -14.970 -6.847 1.00 0.00 H new ATOM 1322 N GLU A 86 3.097 -12.076 -11.768 1.00 0.00 N ATOM 1323 CA GLU A 86 3.730 -12.244 -13.100 1.00 0.00 C ATOM 1324 C GLU A 86 5.252 -11.958 -12.974 1.00 0.00 C ATOM 1325 O GLU A 86 5.686 -10.871 -12.577 1.00 0.00 O ATOM 1326 CB GLU A 86 3.052 -11.290 -14.112 1.00 0.00 C ATOM 1327 CG GLU A 86 3.347 -11.582 -15.599 1.00 0.00 C ATOM 1328 CD GLU A 86 2.685 -10.561 -16.529 1.00 0.00 C ATOM 1329 OE1 GLU A 86 1.525 -10.782 -16.943 1.00 0.00 O ATOM 1330 OE2 GLU A 86 3.319 -9.530 -16.846 1.00 0.00 O ATOM 0 H GLU A 86 2.900 -11.104 -11.530 1.00 0.00 H new ATOM 0 HA GLU A 86 3.602 -13.264 -13.462 1.00 0.00 H new ATOM 0 HB2 GLU A 86 1.974 -11.332 -13.958 1.00 0.00 H new ATOM 0 HB3 GLU A 86 3.366 -10.270 -13.890 1.00 0.00 H new ATOM 0 HG2 GLU A 86 4.425 -11.575 -15.762 1.00 0.00 H new ATOM 0 HG3 GLU A 86 2.993 -12.582 -15.849 1.00 0.00 H new ATOM 1337 N GLY A 87 6.037 -12.977 -13.332 1.00 0.00 N ATOM 1338 CA GLY A 87 7.523 -12.913 -13.312 1.00 0.00 C ATOM 1339 C GLY A 87 8.294 -12.913 -11.967 1.00 0.00 C ATOM 1340 O GLY A 87 9.497 -12.637 -11.969 1.00 0.00 O ATOM 0 H GLY A 87 5.672 -13.876 -13.646 1.00 0.00 H new ATOM 0 HA2 GLY A 87 7.889 -13.760 -13.892 1.00 0.00 H new ATOM 0 HA3 GLY A 87 7.813 -12.010 -13.849 1.00 0.00 H new ATOM 1344 N ASP A 88 7.609 -13.170 -10.840 1.00 0.00 N ATOM 1345 CA ASP A 88 8.124 -12.912 -9.459 1.00 0.00 C ATOM 1346 C ASP A 88 8.388 -11.406 -9.072 1.00 0.00 C ATOM 1347 O ASP A 88 9.050 -11.146 -8.063 1.00 0.00 O ATOM 1348 CB ASP A 88 9.269 -13.902 -9.079 1.00 0.00 C ATOM 1349 CG ASP A 88 9.414 -14.183 -7.575 1.00 0.00 C ATOM 1350 OD1 ASP A 88 8.578 -14.929 -7.018 1.00 0.00 O ATOM 1351 OD2 ASP A 88 10.358 -13.658 -6.945 1.00 0.00 O ATOM 0 H ASP A 88 6.670 -13.568 -10.848 1.00 0.00 H new ATOM 0 HA ASP A 88 7.283 -13.136 -8.803 1.00 0.00 H new ATOM 0 HB2 ASP A 88 9.098 -14.847 -9.595 1.00 0.00 H new ATOM 0 HB3 ASP A 88 10.212 -13.502 -9.451 1.00 0.00 H new ATOM 1356 N ASN A 89 7.845 -10.419 -9.824 1.00 0.00 N ATOM 1357 CA ASN A 89 7.950 -8.970 -9.494 1.00 0.00 C ATOM 1358 C ASN A 89 6.822 -8.099 -10.148 1.00 0.00 C ATOM 1359 O ASN A 89 7.115 -7.012 -10.652 1.00 0.00 O ATOM 1360 CB ASN A 89 9.392 -8.428 -9.754 1.00 0.00 C ATOM 1361 CG ASN A 89 9.914 -8.417 -11.209 1.00 0.00 C ATOM 1362 OD1 ASN A 89 10.125 -9.464 -11.822 1.00 0.00 O ATOM 1363 ND2 ASN A 89 10.152 -7.247 -11.778 1.00 0.00 N ATOM 0 H ASN A 89 7.320 -10.602 -10.679 1.00 0.00 H new ATOM 0 HA ASN A 89 7.773 -8.877 -8.423 1.00 0.00 H new ATOM 0 HB2 ASN A 89 9.438 -7.407 -9.376 1.00 0.00 H new ATOM 0 HB3 ASN A 89 10.084 -9.021 -9.156 1.00 0.00 H new ATOM 0 HD21 ASN A 89 10.513 -7.207 -12.731 1.00 0.00 H new ATOM 0 HD22 ASN A 89 9.975 -6.384 -11.264 1.00 0.00 H new ATOM 1370 N LYS A 90 5.541 -8.528 -10.111 1.00 0.00 N ATOM 1371 CA LYS A 90 4.379 -7.715 -10.575 1.00 0.00 C ATOM 1372 C LYS A 90 3.114 -8.328 -9.914 1.00 0.00 C ATOM 1373 O LYS A 90 2.714 -9.436 -10.282 1.00 0.00 O ATOM 1374 CB LYS A 90 4.149 -7.699 -12.116 1.00 0.00 C ATOM 1375 CG LYS A 90 5.135 -6.910 -12.998 1.00 0.00 C ATOM 1376 CD LYS A 90 4.706 -6.912 -14.477 1.00 0.00 C ATOM 1377 CE LYS A 90 5.675 -6.135 -15.384 1.00 0.00 C ATOM 1378 NZ LYS A 90 5.256 -6.206 -16.795 1.00 0.00 N ATOM 0 H LYS A 90 5.276 -9.448 -9.759 1.00 0.00 H new ATOM 0 HA LYS A 90 4.583 -6.682 -10.294 1.00 0.00 H new ATOM 0 HB2 LYS A 90 4.149 -8.733 -12.462 1.00 0.00 H new ATOM 0 HB3 LYS A 90 3.150 -7.302 -12.298 1.00 0.00 H new ATOM 0 HG2 LYS A 90 5.201 -5.883 -12.640 1.00 0.00 H new ATOM 0 HG3 LYS A 90 6.131 -7.344 -12.908 1.00 0.00 H new ATOM 0 HD2 LYS A 90 4.635 -7.942 -14.828 1.00 0.00 H new ATOM 0 HD3 LYS A 90 3.710 -6.477 -14.561 1.00 0.00 H new ATOM 0 HE2 LYS A 90 5.718 -5.093 -15.067 1.00 0.00 H new ATOM 0 HE3 LYS A 90 6.681 -6.542 -15.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 5.928 -5.673 -17.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 5.238 -7.199 -17.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 4.306 -5.795 -16.896 1.00 0.00 H new ATOM 1392 N LEU A 91 2.453 -7.605 -8.991 1.00 0.00 N ATOM 1393 CA LEU A 91 1.158 -8.055 -8.401 1.00 0.00 C ATOM 1394 C LEU A 91 0.018 -7.318 -9.151 1.00 0.00 C ATOM 1395 O LEU A 91 -0.269 -6.151 -8.871 1.00 0.00 O ATOM 1396 CB LEU A 91 1.096 -7.818 -6.868 1.00 0.00 C ATOM 1397 CG LEU A 91 2.152 -8.567 -6.007 1.00 0.00 C ATOM 1398 CD1 LEU A 91 2.255 -7.952 -4.599 1.00 0.00 C ATOM 1399 CD2 LEU A 91 1.879 -10.083 -5.935 1.00 0.00 C ATOM 0 H LEU A 91 2.784 -6.709 -8.633 1.00 0.00 H new ATOM 0 HA LEU A 91 1.051 -9.132 -8.527 1.00 0.00 H new ATOM 0 HB2 LEU A 91 1.202 -6.749 -6.684 1.00 0.00 H new ATOM 0 HB3 LEU A 91 0.105 -8.105 -6.518 1.00 0.00 H new ATOM 0 HG LEU A 91 3.114 -8.443 -6.504 1.00 0.00 H new ATOM 0 HD11 LEU A 91 3.001 -8.495 -4.018 1.00 0.00 H new ATOM 0 HD12 LEU A 91 2.550 -6.906 -4.680 1.00 0.00 H new ATOM 0 HD13 LEU A 91 1.288 -8.019 -4.101 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.643 -10.562 -5.323 1.00 0.00 H new ATOM 0 HD22 LEU A 91 0.898 -10.255 -5.492 1.00 0.00 H new ATOM 0 HD23 LEU A 91 1.902 -10.505 -6.940 1.00 0.00 H new ATOM 1411 N VAL A 92 -0.587 -8.010 -10.135 1.00 0.00 N ATOM 1412 CA VAL A 92 -1.496 -7.389 -11.137 1.00 0.00 C ATOM 1413 C VAL A 92 -2.952 -7.646 -10.647 1.00 0.00 C ATOM 1414 O VAL A 92 -3.403 -8.798 -10.605 1.00 0.00 O ATOM 1415 CB VAL A 92 -1.244 -7.951 -12.582 1.00 0.00 C ATOM 1416 CG1 VAL A 92 -2.136 -7.271 -13.651 1.00 0.00 C ATOM 1417 CG2 VAL A 92 0.226 -7.855 -13.063 1.00 0.00 C ATOM 0 H VAL A 92 -0.464 -9.014 -10.264 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.309 -6.318 -11.214 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.505 -9.005 -12.483 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -1.920 -7.698 -14.630 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -3.186 -7.435 -13.407 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -1.931 -6.201 -13.669 1.00 0.00 H new ATOM 0 HG21 VAL A 92 0.307 -8.266 -14.069 1.00 0.00 H new ATOM 0 HG22 VAL A 92 0.539 -6.811 -13.071 1.00 0.00 H new ATOM 0 HG23 VAL A 92 0.868 -8.421 -12.387 1.00 0.00 H new ATOM 1427 N THR A 93 -3.670 -6.568 -10.280 1.00 0.00 N ATOM 1428 CA THR A 93 -5.050 -6.677 -9.715 1.00 0.00 C ATOM 1429 C THR A 93 -5.890 -5.394 -9.983 1.00 0.00 C ATOM 1430 O THR A 93 -5.424 -4.275 -9.750 1.00 0.00 O ATOM 1431 CB THR A 93 -5.021 -7.086 -8.211 1.00 0.00 C ATOM 1432 OG1 THR A 93 -6.337 -7.406 -7.784 1.00 0.00 O ATOM 1433 CG2 THR A 93 -4.414 -6.080 -7.214 1.00 0.00 C ATOM 0 H THR A 93 -3.329 -5.610 -10.360 1.00 0.00 H new ATOM 0 HA THR A 93 -5.561 -7.483 -10.242 1.00 0.00 H new ATOM 0 HB THR A 93 -4.341 -7.937 -8.190 1.00 0.00 H new ATOM 0 HG1 THR A 93 -6.331 -8.273 -7.328 1.00 0.00 H new ATOM 0 HG21 THR A 93 -4.459 -6.494 -6.207 1.00 0.00 H new ATOM 0 HG22 THR A 93 -3.375 -5.886 -7.480 1.00 0.00 H new ATOM 0 HG23 THR A 93 -4.978 -5.148 -7.249 1.00 0.00 H new ATOM 1441 N THR A 94 -7.151 -5.581 -10.419 1.00 0.00 N ATOM 1442 CA THR A 94 -8.105 -4.464 -10.675 1.00 0.00 C ATOM 1443 C THR A 94 -9.109 -4.411 -9.487 1.00 0.00 C ATOM 1444 O THR A 94 -9.933 -5.319 -9.329 1.00 0.00 O ATOM 1445 CB THR A 94 -8.804 -4.636 -12.058 1.00 0.00 C ATOM 1446 OG1 THR A 94 -7.832 -4.791 -13.089 1.00 0.00 O ATOM 1447 CG2 THR A 94 -9.691 -3.442 -12.459 1.00 0.00 C ATOM 0 H THR A 94 -7.544 -6.504 -10.606 1.00 0.00 H new ATOM 0 HA THR A 94 -7.581 -3.510 -10.730 1.00 0.00 H new ATOM 0 HB THR A 94 -9.434 -5.519 -11.948 1.00 0.00 H new ATOM 0 HG1 THR A 94 -8.284 -4.900 -13.951 1.00 0.00 H new ATOM 0 HG21 THR A 94 -10.143 -3.635 -13.432 1.00 0.00 H new ATOM 0 HG22 THR A 94 -10.476 -3.306 -11.715 1.00 0.00 H new ATOM 0 HG23 THR A 94 -9.083 -2.539 -12.514 1.00 0.00 H new ATOM 1455 N PHE A 95 -9.052 -3.339 -8.672 1.00 0.00 N ATOM 1456 CA PHE A 95 -9.917 -3.187 -7.464 1.00 0.00 C ATOM 1457 C PHE A 95 -11.378 -2.822 -7.866 1.00 0.00 C ATOM 1458 O PHE A 95 -12.215 -3.720 -8.002 1.00 0.00 O ATOM 1459 CB PHE A 95 -9.268 -2.240 -6.405 1.00 0.00 C ATOM 1460 CG PHE A 95 -7.968 -2.725 -5.740 1.00 0.00 C ATOM 1461 CD1 PHE A 95 -8.022 -3.566 -4.623 1.00 0.00 C ATOM 1462 CD2 PHE A 95 -6.724 -2.293 -6.216 1.00 0.00 C ATOM 1463 CE1 PHE A 95 -6.847 -3.970 -3.994 1.00 0.00 C ATOM 1464 CE2 PHE A 95 -5.553 -2.695 -5.579 1.00 0.00 C ATOM 1465 CZ PHE A 95 -5.615 -3.535 -4.471 1.00 0.00 C ATOM 0 H PHE A 95 -8.415 -2.556 -8.822 1.00 0.00 H new ATOM 0 HA PHE A 95 -9.992 -4.149 -6.958 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -9.067 -1.282 -6.885 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -10.002 -2.055 -5.620 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -8.977 -3.903 -4.248 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -6.673 -1.646 -7.079 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -6.892 -4.622 -3.134 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -4.596 -2.355 -5.945 1.00 0.00 H new ATOM 0 HZ PHE A 95 -4.705 -3.849 -3.981 1.00 0.00 H new ATOM 1475 N LYS A 96 -11.656 -1.528 -8.086 1.00 0.00 N ATOM 1476 CA LYS A 96 -12.926 -1.042 -8.690 1.00 0.00 C ATOM 1477 C LYS A 96 -12.671 -0.904 -10.222 1.00 0.00 C ATOM 1478 O LYS A 96 -12.943 -1.854 -10.961 1.00 0.00 O ATOM 1479 CB LYS A 96 -13.403 0.222 -7.917 1.00 0.00 C ATOM 1480 CG LYS A 96 -14.783 0.756 -8.358 1.00 0.00 C ATOM 1481 CD LYS A 96 -15.198 2.042 -7.612 1.00 0.00 C ATOM 1482 CE LYS A 96 -16.562 2.622 -8.034 1.00 0.00 C ATOM 1483 NZ LYS A 96 -16.555 3.203 -9.392 1.00 0.00 N ATOM 0 H LYS A 96 -11.007 -0.777 -7.851 1.00 0.00 H new ATOM 0 HA LYS A 96 -13.771 -1.724 -8.595 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -13.440 -0.010 -6.853 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -12.663 1.012 -8.045 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -14.764 0.954 -9.430 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -15.535 -0.014 -8.189 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -15.223 1.833 -6.543 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -14.432 2.801 -7.771 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -17.314 1.834 -7.987 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -16.859 3.390 -7.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -17.500 3.575 -9.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -15.860 3.975 -9.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -16.300 2.468 -10.083 1.00 0.00 H new ATOM 1497 N ASN A 97 -12.075 0.218 -10.678 1.00 0.00 N ATOM 1498 CA ASN A 97 -11.255 0.232 -11.922 1.00 0.00 C ATOM 1499 C ASN A 97 -9.866 0.866 -11.590 1.00 0.00 C ATOM 1500 O ASN A 97 -9.492 1.906 -12.138 1.00 0.00 O ATOM 1501 CB ASN A 97 -12.059 0.924 -13.061 1.00 0.00 C ATOM 1502 CG ASN A 97 -11.439 0.792 -14.463 1.00 0.00 C ATOM 1503 OD1 ASN A 97 -10.573 1.572 -14.859 1.00 0.00 O ATOM 1504 ND2 ASN A 97 -11.874 -0.179 -15.245 1.00 0.00 N ATOM 0 H ASN A 97 -12.141 1.123 -10.212 1.00 0.00 H new ATOM 0 HA ASN A 97 -11.043 -0.769 -12.298 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -13.065 0.504 -13.083 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -12.161 1.983 -12.823 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -11.492 -0.287 -16.185 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -12.592 -0.821 -14.909 1.00 0.00 H new ATOM 1511 N ILE A 98 -9.098 0.213 -10.693 1.00 0.00 N ATOM 1512 CA ILE A 98 -7.777 0.710 -10.218 1.00 0.00 C ATOM 1513 C ILE A 98 -6.803 -0.430 -10.619 1.00 0.00 C ATOM 1514 O ILE A 98 -6.649 -1.405 -9.877 1.00 0.00 O ATOM 1515 CB ILE A 98 -7.794 1.033 -8.678 1.00 0.00 C ATOM 1516 CG1 ILE A 98 -8.803 2.156 -8.280 1.00 0.00 C ATOM 1517 CG2 ILE A 98 -6.382 1.375 -8.138 1.00 0.00 C ATOM 1518 CD1 ILE A 98 -9.157 2.212 -6.783 1.00 0.00 C ATOM 0 H ILE A 98 -9.371 -0.676 -10.273 1.00 0.00 H new ATOM 0 HA ILE A 98 -7.479 1.661 -10.660 1.00 0.00 H new ATOM 0 HB ILE A 98 -8.139 0.112 -8.208 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -8.387 3.119 -8.576 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -9.722 2.017 -8.850 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -6.443 1.591 -7.071 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -5.716 0.528 -8.299 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -5.993 2.247 -8.663 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -9.863 3.023 -6.606 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -9.607 1.267 -6.480 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -8.252 2.386 -6.201 1.00 0.00 H new ATOM 1530 N LYS A 99 -6.156 -0.290 -11.791 1.00 0.00 N ATOM 1531 CA LYS A 99 -5.288 -1.356 -12.363 1.00 0.00 C ATOM 1532 C LYS A 99 -3.868 -1.247 -11.742 1.00 0.00 C ATOM 1533 O LYS A 99 -2.997 -0.513 -12.219 1.00 0.00 O ATOM 1534 CB LYS A 99 -5.292 -1.263 -13.911 1.00 0.00 C ATOM 1535 CG LYS A 99 -6.609 -1.732 -14.570 1.00 0.00 C ATOM 1536 CD LYS A 99 -6.679 -1.538 -16.098 1.00 0.00 C ATOM 1537 CE LYS A 99 -5.764 -2.481 -16.904 1.00 0.00 C ATOM 1538 NZ LYS A 99 -5.919 -2.277 -18.355 1.00 0.00 N ATOM 0 H LYS A 99 -6.213 0.550 -12.367 1.00 0.00 H new ATOM 0 HA LYS A 99 -5.672 -2.345 -12.112 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -5.101 -0.230 -14.202 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -4.470 -1.862 -14.302 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -6.753 -2.789 -14.346 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -7.439 -1.193 -14.112 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -7.709 -1.685 -16.424 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -6.415 -0.507 -16.333 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -4.725 -2.311 -16.621 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -5.997 -3.516 -16.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -5.289 -2.928 -18.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -6.905 -2.463 -18.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -5.673 -1.296 -18.596 1.00 0.00 H new ATOM 1552 N SER A 100 -3.697 -1.982 -10.633 1.00 0.00 N ATOM 1553 CA SER A 100 -2.533 -1.860 -9.730 1.00 0.00 C ATOM 1554 C SER A 100 -1.485 -2.927 -10.107 1.00 0.00 C ATOM 1555 O SER A 100 -1.759 -4.126 -10.017 1.00 0.00 O ATOM 1556 CB SER A 100 -3.031 -2.047 -8.281 1.00 0.00 C ATOM 1557 OG SER A 100 -1.995 -1.760 -7.351 1.00 0.00 O ATOM 0 H SER A 100 -4.369 -2.687 -10.331 1.00 0.00 H new ATOM 0 HA SER A 100 -2.062 -0.881 -9.821 1.00 0.00 H new ATOM 0 HB2 SER A 100 -3.883 -1.392 -8.097 1.00 0.00 H new ATOM 0 HB3 SER A 100 -3.379 -3.070 -8.140 1.00 0.00 H new ATOM 0 HG SER A 100 -2.331 -1.883 -6.439 1.00 0.00 H new ATOM 1563 N VAL A 101 -0.298 -2.468 -10.523 1.00 0.00 N ATOM 1564 CA VAL A 101 0.833 -3.356 -10.906 1.00 0.00 C ATOM 1565 C VAL A 101 1.953 -3.031 -9.877 1.00 0.00 C ATOM 1566 O VAL A 101 2.591 -1.975 -9.966 1.00 0.00 O ATOM 1567 CB VAL A 101 1.251 -3.118 -12.400 1.00 0.00 C ATOM 1568 CG1 VAL A 101 2.543 -3.871 -12.795 1.00 0.00 C ATOM 1569 CG2 VAL A 101 0.138 -3.501 -13.406 1.00 0.00 C ATOM 0 H VAL A 101 -0.084 -1.474 -10.607 1.00 0.00 H new ATOM 0 HA VAL A 101 0.582 -4.416 -10.870 1.00 0.00 H new ATOM 0 HB VAL A 101 1.433 -2.045 -12.457 1.00 0.00 H new ATOM 0 HG11 VAL A 101 2.779 -3.666 -13.839 1.00 0.00 H new ATOM 0 HG12 VAL A 101 3.367 -3.536 -12.164 1.00 0.00 H new ATOM 0 HG13 VAL A 101 2.395 -4.942 -12.660 1.00 0.00 H new ATOM 0 HG21 VAL A 101 0.486 -3.314 -14.422 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -0.106 -4.558 -13.294 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -0.751 -2.901 -13.211 1.00 0.00 H new ATOM 1579 N THR A 102 2.192 -3.946 -8.917 1.00 0.00 N ATOM 1580 CA THR A 102 3.169 -3.709 -7.813 1.00 0.00 C ATOM 1581 C THR A 102 4.561 -4.257 -8.254 1.00 0.00 C ATOM 1582 O THR A 102 4.891 -5.427 -8.026 1.00 0.00 O ATOM 1583 CB THR A 102 2.663 -4.318 -6.469 1.00 0.00 C ATOM 1584 OG1 THR A 102 1.273 -4.074 -6.260 1.00 0.00 O ATOM 1585 CG2 THR A 102 3.401 -3.779 -5.237 1.00 0.00 C ATOM 0 H THR A 102 1.729 -4.854 -8.875 1.00 0.00 H new ATOM 0 HA THR A 102 3.271 -2.641 -7.623 1.00 0.00 H new ATOM 0 HB THR A 102 2.860 -5.385 -6.572 1.00 0.00 H new ATOM 0 HG1 THR A 102 0.995 -4.473 -5.409 1.00 0.00 H new ATOM 0 HG21 THR A 102 2.998 -4.246 -4.338 1.00 0.00 H new ATOM 0 HG22 THR A 102 4.463 -4.009 -5.320 1.00 0.00 H new ATOM 0 HG23 THR A 102 3.267 -2.699 -5.176 1.00 0.00 H new ATOM 1593 N GLU A 103 5.348 -3.395 -8.922 1.00 0.00 N ATOM 1594 CA GLU A 103 6.568 -3.810 -9.657 1.00 0.00 C ATOM 1595 C GLU A 103 7.815 -3.599 -8.767 1.00 0.00 C ATOM 1596 O GLU A 103 8.120 -2.475 -8.365 1.00 0.00 O ATOM 1597 CB GLU A 103 6.673 -3.006 -10.974 1.00 0.00 C ATOM 1598 CG GLU A 103 7.681 -3.559 -12.003 1.00 0.00 C ATOM 1599 CD GLU A 103 7.751 -2.686 -13.259 1.00 0.00 C ATOM 1600 OE1 GLU A 103 8.483 -1.672 -13.250 1.00 0.00 O ATOM 1601 OE2 GLU A 103 7.066 -3.003 -14.256 1.00 0.00 O ATOM 0 H GLU A 103 5.162 -2.393 -8.971 1.00 0.00 H new ATOM 0 HA GLU A 103 6.509 -4.870 -9.905 1.00 0.00 H new ATOM 0 HB2 GLU A 103 5.687 -2.970 -11.438 1.00 0.00 H new ATOM 0 HB3 GLU A 103 6.950 -1.980 -10.733 1.00 0.00 H new ATOM 0 HG2 GLU A 103 8.669 -3.619 -11.547 1.00 0.00 H new ATOM 0 HG3 GLU A 103 7.396 -4.574 -12.281 1.00 0.00 H new ATOM 1608 N LEU A 104 8.534 -4.690 -8.494 1.00 0.00 N ATOM 1609 CA LEU A 104 9.716 -4.673 -7.589 1.00 0.00 C ATOM 1610 C LEU A 104 11.002 -4.674 -8.459 1.00 0.00 C ATOM 1611 O LEU A 104 11.357 -5.689 -9.068 1.00 0.00 O ATOM 1612 CB LEU A 104 9.640 -5.853 -6.572 1.00 0.00 C ATOM 1613 CG LEU A 104 10.230 -5.568 -5.162 1.00 0.00 C ATOM 1614 CD1 LEU A 104 10.005 -6.776 -4.236 1.00 0.00 C ATOM 1615 CD2 LEU A 104 11.715 -5.163 -5.153 1.00 0.00 C ATOM 0 H LEU A 104 8.327 -5.610 -8.884 1.00 0.00 H new ATOM 0 HA LEU A 104 9.733 -3.768 -6.981 1.00 0.00 H new ATOM 0 HB2 LEU A 104 8.595 -6.142 -6.457 1.00 0.00 H new ATOM 0 HB3 LEU A 104 10.163 -6.709 -6.998 1.00 0.00 H new ATOM 0 HG LEU A 104 9.688 -4.697 -4.793 1.00 0.00 H new ATOM 0 HD11 LEU A 104 10.423 -6.563 -3.252 1.00 0.00 H new ATOM 0 HD12 LEU A 104 8.936 -6.969 -4.142 1.00 0.00 H new ATOM 0 HD13 LEU A 104 10.496 -7.653 -4.657 1.00 0.00 H new ATOM 0 HD21 LEU A 104 12.037 -4.985 -4.127 1.00 0.00 H new ATOM 0 HD22 LEU A 104 12.313 -5.964 -5.587 1.00 0.00 H new ATOM 0 HD23 LEU A 104 11.848 -4.253 -5.738 1.00 0.00 H new ATOM 1627 N ASN A 105 11.682 -3.514 -8.521 1.00 0.00 N ATOM 1628 CA ASN A 105 12.811 -3.286 -9.466 1.00 0.00 C ATOM 1629 C ASN A 105 14.157 -3.697 -8.805 1.00 0.00 C ATOM 1630 O ASN A 105 14.571 -4.850 -8.960 1.00 0.00 O ATOM 1631 CB ASN A 105 12.737 -1.848 -10.063 1.00 0.00 C ATOM 1632 CG ASN A 105 11.495 -1.546 -10.930 1.00 0.00 C ATOM 1633 OD1 ASN A 105 10.493 -1.015 -10.451 1.00 0.00 O ATOM 1634 ND2 ASN A 105 11.534 -1.886 -12.210 1.00 0.00 N ATOM 0 H ASN A 105 11.474 -2.711 -7.928 1.00 0.00 H new ATOM 0 HA ASN A 105 12.733 -3.937 -10.337 1.00 0.00 H new ATOM 0 HB2 ASN A 105 12.767 -1.132 -9.242 1.00 0.00 H new ATOM 0 HB3 ASN A 105 13.629 -1.679 -10.667 1.00 0.00 H new ATOM 0 HD21 ASN A 105 10.728 -1.708 -12.810 1.00 0.00 H new ATOM 0 HD22 ASN A 105 12.370 -2.325 -12.596 1.00 0.00 H new ATOM 1641 N GLY A 106 14.814 -2.783 -8.069 1.00 0.00 N ATOM 1642 CA GLY A 106 16.084 -3.071 -7.360 1.00 0.00 C ATOM 1643 C GLY A 106 15.834 -3.300 -5.859 1.00 0.00 C ATOM 1644 O GLY A 106 15.225 -4.308 -5.486 1.00 0.00 O ATOM 0 H GLY A 106 14.485 -1.825 -7.946 1.00 0.00 H new ATOM 0 HA2 GLY A 106 16.555 -3.953 -7.793 1.00 0.00 H new ATOM 0 HA3 GLY A 106 16.777 -2.241 -7.495 1.00 0.00 H new ATOM 1648 N ASP A 107 16.275 -2.346 -5.019 1.00 0.00 N ATOM 1649 CA ASP A 107 15.808 -2.252 -3.601 1.00 0.00 C ATOM 1650 C ASP A 107 14.825 -1.049 -3.455 1.00 0.00 C ATOM 1651 O ASP A 107 15.080 -0.080 -2.731 1.00 0.00 O ATOM 1652 CB ASP A 107 17.016 -2.193 -2.624 1.00 0.00 C ATOM 1653 CG ASP A 107 17.803 -3.505 -2.494 1.00 0.00 C ATOM 1654 OD1 ASP A 107 17.344 -4.418 -1.770 1.00 0.00 O ATOM 1655 OD2 ASP A 107 18.880 -3.629 -3.117 1.00 0.00 O ATOM 0 H ASP A 107 16.950 -1.628 -5.284 1.00 0.00 H new ATOM 0 HA ASP A 107 15.255 -3.151 -3.329 1.00 0.00 H new ATOM 0 HB2 ASP A 107 17.696 -1.409 -2.956 1.00 0.00 H new ATOM 0 HB3 ASP A 107 16.654 -1.904 -1.638 1.00 0.00 H new ATOM 1660 N ILE A 108 13.678 -1.154 -4.152 1.00 0.00 N ATOM 1661 CA ILE A 108 12.553 -0.184 -4.101 1.00 0.00 C ATOM 1662 C ILE A 108 11.212 -0.999 -4.224 1.00 0.00 C ATOM 1663 O ILE A 108 11.197 -2.235 -4.221 1.00 0.00 O ATOM 1664 CB ILE A 108 12.704 0.957 -5.177 1.00 0.00 C ATOM 1665 CG1 ILE A 108 12.639 0.475 -6.656 1.00 0.00 C ATOM 1666 CG2 ILE A 108 13.921 1.883 -4.951 1.00 0.00 C ATOM 1667 CD1 ILE A 108 12.137 1.537 -7.643 1.00 0.00 C ATOM 0 H ILE A 108 13.497 -1.934 -4.784 1.00 0.00 H new ATOM 0 HA ILE A 108 12.552 0.349 -3.150 1.00 0.00 H new ATOM 0 HB ILE A 108 11.809 1.556 -5.010 1.00 0.00 H new ATOM 0 HG12 ILE A 108 13.633 0.150 -6.964 1.00 0.00 H new ATOM 0 HG13 ILE A 108 11.986 -0.396 -6.714 1.00 0.00 H new ATOM 0 HG21 ILE A 108 13.952 2.640 -5.734 1.00 0.00 H new ATOM 0 HG22 ILE A 108 13.833 2.369 -3.979 1.00 0.00 H new ATOM 0 HG23 ILE A 108 14.837 1.293 -4.980 1.00 0.00 H new ATOM 0 HD11 ILE A 108 12.122 1.120 -8.650 1.00 0.00 H new ATOM 0 HD12 ILE A 108 11.130 1.846 -7.364 1.00 0.00 H new ATOM 0 HD13 ILE A 108 12.802 2.400 -7.618 1.00 0.00 H new ATOM 1679 N ILE A 109 10.070 -0.305 -4.399 1.00 0.00 N ATOM 1680 CA ILE A 109 8.865 -0.906 -5.029 1.00 0.00 C ATOM 1681 C ILE A 109 8.037 0.225 -5.715 1.00 0.00 C ATOM 1682 O ILE A 109 7.653 1.216 -5.084 1.00 0.00 O ATOM 1683 CB ILE A 109 8.070 -1.853 -4.059 1.00 0.00 C ATOM 1684 CG1 ILE A 109 7.241 -2.902 -4.842 1.00 0.00 C ATOM 1685 CG2 ILE A 109 7.225 -1.122 -2.985 1.00 0.00 C ATOM 1686 CD1 ILE A 109 6.836 -4.130 -4.016 1.00 0.00 C ATOM 0 H ILE A 109 9.951 0.668 -4.116 1.00 0.00 H new ATOM 0 HA ILE A 109 9.161 -1.597 -5.818 1.00 0.00 H new ATOM 0 HB ILE A 109 8.834 -2.381 -3.488 1.00 0.00 H new ATOM 0 HG12 ILE A 109 6.340 -2.423 -5.226 1.00 0.00 H new ATOM 0 HG13 ILE A 109 7.818 -3.233 -5.705 1.00 0.00 H new ATOM 0 HG21 ILE A 109 6.713 -1.856 -2.363 1.00 0.00 H new ATOM 0 HG22 ILE A 109 7.878 -0.511 -2.362 1.00 0.00 H new ATOM 0 HG23 ILE A 109 6.489 -0.484 -3.474 1.00 0.00 H new ATOM 0 HD11 ILE A 109 6.259 -4.813 -4.639 1.00 0.00 H new ATOM 0 HD12 ILE A 109 7.731 -4.636 -3.654 1.00 0.00 H new ATOM 0 HD13 ILE A 109 6.230 -3.814 -3.167 1.00 0.00 H new ATOM 1698 N THR A 110 7.771 0.034 -7.016 1.00 0.00 N ATOM 1699 CA THR A 110 7.037 1.007 -7.868 1.00 0.00 C ATOM 1700 C THR A 110 5.590 0.470 -8.069 1.00 0.00 C ATOM 1701 O THR A 110 5.346 -0.392 -8.919 1.00 0.00 O ATOM 1702 CB THR A 110 7.809 1.208 -9.206 1.00 0.00 C ATOM 1703 OG1 THR A 110 9.141 1.644 -8.953 1.00 0.00 O ATOM 1704 CG2 THR A 110 7.179 2.249 -10.144 1.00 0.00 C ATOM 0 H THR A 110 8.058 -0.805 -7.519 1.00 0.00 H new ATOM 0 HA THR A 110 6.970 1.989 -7.400 1.00 0.00 H new ATOM 0 HB THR A 110 7.775 0.233 -9.692 1.00 0.00 H new ATOM 0 HG1 THR A 110 9.613 1.764 -9.803 1.00 0.00 H new ATOM 0 HG21 THR A 110 7.776 2.329 -11.052 1.00 0.00 H new ATOM 0 HG22 THR A 110 6.166 1.940 -10.402 1.00 0.00 H new ATOM 0 HG23 THR A 110 7.147 3.217 -9.644 1.00 0.00 H new ATOM 1712 N ASN A 111 4.638 1.009 -7.289 1.00 0.00 N ATOM 1713 CA ASN A 111 3.207 0.614 -7.358 1.00 0.00 C ATOM 1714 C ASN A 111 2.474 1.580 -8.328 1.00 0.00 C ATOM 1715 O ASN A 111 2.251 2.751 -8.006 1.00 0.00 O ATOM 1716 CB ASN A 111 2.628 0.594 -5.917 1.00 0.00 C ATOM 1717 CG ASN A 111 1.134 0.240 -5.796 1.00 0.00 C ATOM 1718 OD1 ASN A 111 0.276 1.121 -5.782 1.00 0.00 O ATOM 1719 ND2 ASN A 111 0.792 -1.033 -5.707 1.00 0.00 N ATOM 0 H ASN A 111 4.830 1.729 -6.593 1.00 0.00 H new ATOM 0 HA ASN A 111 3.071 -0.390 -7.759 1.00 0.00 H new ATOM 0 HB2 ASN A 111 3.200 -0.122 -5.327 1.00 0.00 H new ATOM 0 HB3 ASN A 111 2.786 1.575 -5.469 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -0.191 -1.292 -5.626 1.00 0.00 H new ATOM 0 HD22 ASN A 111 1.511 -1.756 -5.720 1.00 0.00 H new ATOM 1726 N THR A 112 2.121 1.058 -9.515 1.00 0.00 N ATOM 1727 CA THR A 112 1.597 1.883 -10.638 1.00 0.00 C ATOM 1728 C THR A 112 0.072 1.596 -10.778 1.00 0.00 C ATOM 1729 O THR A 112 -0.334 0.579 -11.347 1.00 0.00 O ATOM 1730 CB THR A 112 2.421 1.598 -11.928 1.00 0.00 C ATOM 1731 OG1 THR A 112 3.816 1.769 -11.684 1.00 0.00 O ATOM 1732 CG2 THR A 112 2.067 2.520 -13.106 1.00 0.00 C ATOM 0 H THR A 112 2.186 0.063 -9.731 1.00 0.00 H new ATOM 0 HA THR A 112 1.710 2.950 -10.448 1.00 0.00 H new ATOM 0 HB THR A 112 2.172 0.570 -12.193 1.00 0.00 H new ATOM 0 HG1 THR A 112 4.317 1.584 -12.506 1.00 0.00 H new ATOM 0 HG21 THR A 112 2.682 2.261 -13.968 1.00 0.00 H new ATOM 0 HG22 THR A 112 1.014 2.397 -13.361 1.00 0.00 H new ATOM 0 HG23 THR A 112 2.254 3.557 -12.826 1.00 0.00 H new ATOM 1740 N MET A 113 -0.747 2.517 -10.242 1.00 0.00 N ATOM 1741 CA MET A 113 -2.229 2.393 -10.213 1.00 0.00 C ATOM 1742 C MET A 113 -2.837 3.282 -11.329 1.00 0.00 C ATOM 1743 O MET A 113 -2.965 4.501 -11.180 1.00 0.00 O ATOM 1744 CB MET A 113 -2.768 2.798 -8.816 1.00 0.00 C ATOM 1745 CG MET A 113 -2.591 1.743 -7.717 1.00 0.00 C ATOM 1746 SD MET A 113 -3.245 2.389 -6.165 1.00 0.00 S ATOM 1747 CE MET A 113 -3.374 0.867 -5.205 1.00 0.00 C ATOM 0 H MET A 113 -0.405 3.376 -9.812 1.00 0.00 H new ATOM 0 HA MET A 113 -2.519 1.358 -10.395 1.00 0.00 H new ATOM 0 HB2 MET A 113 -2.267 3.714 -8.502 1.00 0.00 H new ATOM 0 HB3 MET A 113 -3.829 3.030 -8.907 1.00 0.00 H new ATOM 0 HG2 MET A 113 -3.111 0.825 -7.990 1.00 0.00 H new ATOM 0 HG3 MET A 113 -1.537 1.491 -7.604 1.00 0.00 H new ATOM 0 HE1 MET A 113 -3.765 1.094 -4.213 1.00 0.00 H new ATOM 0 HE2 MET A 113 -4.047 0.174 -5.710 1.00 0.00 H new ATOM 0 HE3 MET A 113 -2.388 0.412 -5.110 1.00 0.00 H new ATOM 1757 N THR A 114 -3.214 2.642 -12.450 1.00 0.00 N ATOM 1758 CA THR A 114 -3.719 3.349 -13.659 1.00 0.00 C ATOM 1759 C THR A 114 -5.274 3.391 -13.614 1.00 0.00 C ATOM 1760 O THR A 114 -5.950 2.385 -13.853 1.00 0.00 O ATOM 1761 CB THR A 114 -3.148 2.752 -14.982 1.00 0.00 C ATOM 1762 OG1 THR A 114 -3.528 1.393 -15.159 1.00 0.00 O ATOM 1763 CG2 THR A 114 -1.618 2.832 -15.104 1.00 0.00 C ATOM 0 H THR A 114 -3.181 1.628 -12.552 1.00 0.00 H new ATOM 0 HA THR A 114 -3.355 4.377 -13.650 1.00 0.00 H new ATOM 0 HB THR A 114 -3.585 3.380 -15.759 1.00 0.00 H new ATOM 0 HG1 THR A 114 -3.153 1.055 -15.999 1.00 0.00 H new ATOM 0 HG21 THR A 114 -1.305 2.395 -16.052 1.00 0.00 H new ATOM 0 HG22 THR A 114 -1.304 3.875 -15.064 1.00 0.00 H new ATOM 0 HG23 THR A 114 -1.158 2.283 -14.282 1.00 0.00 H new ATOM 1771 N LEU A 115 -5.816 4.578 -13.282 1.00 0.00 N ATOM 1772 CA LEU A 115 -7.278 4.826 -13.177 1.00 0.00 C ATOM 1773 C LEU A 115 -7.727 5.609 -14.441 1.00 0.00 C ATOM 1774 O LEU A 115 -7.772 6.844 -14.440 1.00 0.00 O ATOM 1775 CB LEU A 115 -7.511 5.564 -11.826 1.00 0.00 C ATOM 1776 CG LEU A 115 -8.944 6.049 -11.469 1.00 0.00 C ATOM 1777 CD1 LEU A 115 -10.006 4.934 -11.460 1.00 0.00 C ATOM 1778 CD2 LEU A 115 -8.916 6.750 -10.101 1.00 0.00 C ATOM 0 H LEU A 115 -5.252 5.403 -13.076 1.00 0.00 H new ATOM 0 HA LEU A 115 -7.886 3.921 -13.158 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -7.180 4.900 -11.027 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -6.855 6.435 -11.809 1.00 0.00 H new ATOM 0 HG LEU A 115 -9.241 6.738 -12.260 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -10.976 5.358 -11.202 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -10.061 4.476 -12.448 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -9.733 4.178 -10.724 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -9.919 7.092 -9.847 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -8.567 6.051 -9.341 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -8.241 7.605 -10.144 1.00 0.00 H new ATOM 1790 N GLY A 116 -8.015 4.868 -15.530 1.00 0.00 N ATOM 1791 CA GLY A 116 -8.287 5.465 -16.857 1.00 0.00 C ATOM 1792 C GLY A 116 -6.998 5.970 -17.543 1.00 0.00 C ATOM 1793 O GLY A 116 -6.205 5.170 -18.049 1.00 0.00 O ATOM 0 H GLY A 116 -8.066 3.849 -15.518 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -8.770 4.725 -17.495 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -8.986 6.294 -16.745 1.00 0.00 H new ATOM 1797 N ASP A 117 -6.804 7.297 -17.504 1.00 0.00 N ATOM 1798 CA ASP A 117 -5.522 7.957 -17.905 1.00 0.00 C ATOM 1799 C ASP A 117 -4.619 8.455 -16.720 1.00 0.00 C ATOM 1800 O ASP A 117 -3.506 8.919 -16.986 1.00 0.00 O ATOM 1801 CB ASP A 117 -5.840 9.138 -18.868 1.00 0.00 C ATOM 1802 CG ASP A 117 -6.389 8.731 -20.246 1.00 0.00 C ATOM 1803 OD1 ASP A 117 -5.587 8.355 -21.129 1.00 0.00 O ATOM 1804 OD2 ASP A 117 -7.624 8.779 -20.443 1.00 0.00 O ATOM 0 H ASP A 117 -7.521 7.954 -17.196 1.00 0.00 H new ATOM 0 HA ASP A 117 -4.930 7.184 -18.396 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -6.565 9.794 -18.386 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -4.931 9.721 -19.015 1.00 0.00 H new ATOM 1809 N ILE A 118 -5.054 8.371 -15.442 1.00 0.00 N ATOM 1810 CA ILE A 118 -4.335 8.959 -14.276 1.00 0.00 C ATOM 1811 C ILE A 118 -3.364 7.865 -13.739 1.00 0.00 C ATOM 1812 O ILE A 118 -3.800 6.873 -13.147 1.00 0.00 O ATOM 1813 CB ILE A 118 -5.360 9.479 -13.202 1.00 0.00 C ATOM 1814 CG1 ILE A 118 -6.288 10.612 -13.748 1.00 0.00 C ATOM 1815 CG2 ILE A 118 -4.652 9.971 -11.912 1.00 0.00 C ATOM 1816 CD1 ILE A 118 -7.529 10.926 -12.898 1.00 0.00 C ATOM 0 H ILE A 118 -5.917 7.892 -15.184 1.00 0.00 H new ATOM 0 HA ILE A 118 -3.751 9.835 -14.557 1.00 0.00 H new ATOM 0 HB ILE A 118 -5.982 8.618 -12.959 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -5.698 11.523 -13.847 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -6.617 10.335 -14.750 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -5.398 10.321 -11.198 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -4.086 9.150 -11.472 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -3.974 10.788 -12.158 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -8.100 11.726 -13.369 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -8.151 10.034 -12.819 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -7.218 11.241 -11.902 1.00 0.00 H new ATOM 1828 N VAL A 119 -2.052 8.078 -13.940 1.00 0.00 N ATOM 1829 CA VAL A 119 -1.005 7.070 -13.613 1.00 0.00 C ATOM 1830 C VAL A 119 -0.425 7.451 -12.218 1.00 0.00 C ATOM 1831 O VAL A 119 0.489 8.277 -12.122 1.00 0.00 O ATOM 1832 CB VAL A 119 0.073 6.991 -14.754 1.00 0.00 C ATOM 1833 CG1 VAL A 119 1.145 5.911 -14.479 1.00 0.00 C ATOM 1834 CG2 VAL A 119 -0.505 6.731 -16.169 1.00 0.00 C ATOM 0 H VAL A 119 -1.680 8.944 -14.330 1.00 0.00 H new ATOM 0 HA VAL A 119 -1.416 6.062 -13.555 1.00 0.00 H new ATOM 0 HB VAL A 119 0.519 7.986 -14.743 1.00 0.00 H new ATOM 0 HG11 VAL A 119 1.866 5.897 -15.297 1.00 0.00 H new ATOM 0 HG12 VAL A 119 1.660 6.139 -13.546 1.00 0.00 H new ATOM 0 HG13 VAL A 119 0.666 4.935 -14.401 1.00 0.00 H new ATOM 0 HG21 VAL A 119 0.309 6.692 -16.893 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -1.041 5.782 -16.174 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -1.190 7.536 -16.436 1.00 0.00 H new ATOM 1844 N PHE A 120 -0.959 6.830 -11.146 1.00 0.00 N ATOM 1845 CA PHE A 120 -0.510 7.078 -9.749 1.00 0.00 C ATOM 1846 C PHE A 120 0.723 6.194 -9.440 1.00 0.00 C ATOM 1847 O PHE A 120 0.598 5.020 -9.079 1.00 0.00 O ATOM 1848 CB PHE A 120 -1.704 6.857 -8.781 1.00 0.00 C ATOM 1849 CG PHE A 120 -1.468 6.977 -7.255 1.00 0.00 C ATOM 1850 CD1 PHE A 120 -0.597 7.925 -6.701 1.00 0.00 C ATOM 1851 CD2 PHE A 120 -2.192 6.142 -6.396 1.00 0.00 C ATOM 1852 CE1 PHE A 120 -0.471 8.049 -5.321 1.00 0.00 C ATOM 1853 CE2 PHE A 120 -2.070 6.270 -5.016 1.00 0.00 C ATOM 1854 CZ PHE A 120 -1.216 7.228 -4.480 1.00 0.00 C ATOM 0 H PHE A 120 -1.711 6.144 -11.217 1.00 0.00 H new ATOM 0 HA PHE A 120 -0.188 8.111 -9.613 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -2.482 7.571 -9.050 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -2.104 5.862 -8.974 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -0.019 8.565 -7.351 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -2.851 5.392 -6.808 1.00 0.00 H new ATOM 0 HE1 PHE A 120 0.204 8.781 -4.903 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -2.638 5.626 -4.361 1.00 0.00 H new ATOM 0 HZ PHE A 120 -1.131 7.335 -3.409 1.00 0.00 H new ATOM 1864 N LYS A 121 1.907 6.804 -9.593 1.00 0.00 N ATOM 1865 CA LYS A 121 3.202 6.084 -9.483 1.00 0.00 C ATOM 1866 C LYS A 121 3.811 6.374 -8.085 1.00 0.00 C ATOM 1867 O LYS A 121 4.251 7.491 -7.798 1.00 0.00 O ATOM 1868 CB LYS A 121 4.110 6.498 -10.672 1.00 0.00 C ATOM 1869 CG LYS A 121 5.276 5.532 -10.959 1.00 0.00 C ATOM 1870 CD LYS A 121 6.145 6.022 -12.139 1.00 0.00 C ATOM 1871 CE LYS A 121 7.253 5.056 -12.594 1.00 0.00 C ATOM 1872 NZ LYS A 121 6.733 3.876 -13.312 1.00 0.00 N ATOM 0 H LYS A 121 2.004 7.799 -9.795 1.00 0.00 H new ATOM 0 HA LYS A 121 3.080 5.003 -9.553 1.00 0.00 H new ATOM 0 HB2 LYS A 121 3.496 6.581 -11.569 1.00 0.00 H new ATOM 0 HB3 LYS A 121 4.518 7.489 -10.472 1.00 0.00 H new ATOM 0 HG2 LYS A 121 5.895 5.433 -10.067 1.00 0.00 H new ATOM 0 HG3 LYS A 121 4.881 4.541 -11.184 1.00 0.00 H new ATOM 0 HD2 LYS A 121 5.492 6.224 -12.988 1.00 0.00 H new ATOM 0 HD3 LYS A 121 6.606 6.969 -11.859 1.00 0.00 H new ATOM 0 HE2 LYS A 121 7.949 5.590 -13.241 1.00 0.00 H new ATOM 0 HE3 LYS A 121 7.818 4.724 -11.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 7.525 3.263 -13.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 6.090 3.347 -12.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 6.217 4.185 -14.160 1.00 0.00 H new ATOM 1886 N ARG A 122 3.806 5.342 -7.226 1.00 0.00 N ATOM 1887 CA ARG A 122 4.307 5.430 -5.830 1.00 0.00 C ATOM 1888 C ARG A 122 5.703 4.761 -5.771 1.00 0.00 C ATOM 1889 O ARG A 122 5.815 3.535 -5.857 1.00 0.00 O ATOM 1890 CB ARG A 122 3.325 4.717 -4.858 1.00 0.00 C ATOM 1891 CG ARG A 122 2.034 5.493 -4.513 1.00 0.00 C ATOM 1892 CD ARG A 122 1.310 4.975 -3.254 1.00 0.00 C ATOM 1893 NE ARG A 122 0.622 3.672 -3.450 1.00 0.00 N ATOM 1894 CZ ARG A 122 0.126 2.918 -2.448 1.00 0.00 C ATOM 1895 NH1 ARG A 122 0.255 3.219 -1.157 1.00 0.00 N ATOM 1896 NH2 ARG A 122 -0.527 1.815 -2.760 1.00 0.00 N ATOM 0 H ARG A 122 3.455 4.417 -7.473 1.00 0.00 H new ATOM 0 HA ARG A 122 4.381 6.474 -5.526 1.00 0.00 H new ATOM 0 HB2 ARG A 122 3.044 3.759 -5.295 1.00 0.00 H new ATOM 0 HB3 ARG A 122 3.855 4.501 -3.930 1.00 0.00 H new ATOM 0 HG2 ARG A 122 2.281 6.545 -4.371 1.00 0.00 H new ATOM 0 HG3 ARG A 122 1.351 5.438 -5.361 1.00 0.00 H new ATOM 0 HD2 ARG A 122 2.034 4.875 -2.445 1.00 0.00 H new ATOM 0 HD3 ARG A 122 0.578 5.717 -2.936 1.00 0.00 H new ATOM 0 HE ARG A 122 0.518 3.326 -4.404 1.00 0.00 H new ATOM 0 HH11 ARG A 122 0.754 4.064 -0.878 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -0.145 2.605 -0.448 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -0.646 1.552 -3.738 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -0.913 1.225 -2.023 1.00 0.00 H new ATOM 1910 N ILE A 123 6.756 5.581 -5.603 1.00 0.00 N ATOM 1911 CA ILE A 123 8.162 5.094 -5.533 1.00 0.00 C ATOM 1912 C ILE A 123 8.502 5.059 -4.015 1.00 0.00 C ATOM 1913 O ILE A 123 8.827 6.091 -3.416 1.00 0.00 O ATOM 1914 CB ILE A 123 9.153 5.961 -6.394 1.00 0.00 C ATOM 1915 CG1 ILE A 123 8.825 6.034 -7.922 1.00 0.00 C ATOM 1916 CG2 ILE A 123 10.611 5.449 -6.253 1.00 0.00 C ATOM 1917 CD1 ILE A 123 7.809 7.106 -8.343 1.00 0.00 C ATOM 0 H ILE A 123 6.667 6.593 -5.512 1.00 0.00 H new ATOM 0 HA ILE A 123 8.273 4.104 -5.974 1.00 0.00 H new ATOM 0 HB ILE A 123 9.033 6.965 -5.987 1.00 0.00 H new ATOM 0 HG12 ILE A 123 9.754 6.209 -8.465 1.00 0.00 H new ATOM 0 HG13 ILE A 123 8.449 5.061 -8.239 1.00 0.00 H new ATOM 0 HG21 ILE A 123 11.274 6.067 -6.859 1.00 0.00 H new ATOM 0 HG22 ILE A 123 10.917 5.505 -5.208 1.00 0.00 H new ATOM 0 HG23 ILE A 123 10.668 4.415 -6.593 1.00 0.00 H new ATOM 0 HD11 ILE A 123 7.661 7.063 -9.422 1.00 0.00 H new ATOM 0 HD12 ILE A 123 6.860 6.926 -7.839 1.00 0.00 H new ATOM 0 HD13 ILE A 123 8.185 8.091 -8.067 1.00 0.00 H new ATOM 1929 N SER A 124 8.415 3.857 -3.421 1.00 0.00 N ATOM 1930 CA SER A 124 8.654 3.645 -1.974 1.00 0.00 C ATOM 1931 C SER A 124 9.970 2.846 -1.811 1.00 0.00 C ATOM 1932 O SER A 124 10.069 1.698 -2.252 1.00 0.00 O ATOM 1933 CB SER A 124 7.453 2.895 -1.351 1.00 0.00 C ATOM 1934 OG SER A 124 6.233 3.613 -1.495 1.00 0.00 O ATOM 0 H SER A 124 8.178 3.003 -3.925 1.00 0.00 H new ATOM 0 HA SER A 124 8.751 4.598 -1.454 1.00 0.00 H new ATOM 0 HB2 SER A 124 7.354 1.917 -1.823 1.00 0.00 H new ATOM 0 HB3 SER A 124 7.646 2.720 -0.293 1.00 0.00 H new ATOM 0 HG SER A 124 5.502 3.101 -1.089 1.00 0.00 H new ATOM 1940 N LYS A 125 10.986 3.465 -1.186 1.00 0.00 N ATOM 1941 CA LYS A 125 12.346 2.869 -1.065 1.00 0.00 C ATOM 1942 C LYS A 125 12.387 1.814 0.064 1.00 0.00 C ATOM 1943 O LYS A 125 11.710 1.956 1.083 1.00 0.00 O ATOM 1944 CB LYS A 125 13.394 3.987 -0.807 1.00 0.00 C ATOM 1945 CG LYS A 125 14.013 4.641 -2.058 1.00 0.00 C ATOM 1946 CD LYS A 125 13.032 5.391 -2.988 1.00 0.00 C ATOM 1947 CE LYS A 125 13.682 6.323 -4.030 1.00 0.00 C ATOM 1948 NZ LYS A 125 14.404 5.604 -5.095 1.00 0.00 N ATOM 0 H LYS A 125 10.899 4.384 -0.751 1.00 0.00 H new ATOM 0 HA LYS A 125 12.589 2.367 -2.001 1.00 0.00 H new ATOM 0 HB2 LYS A 125 12.922 4.768 -0.210 1.00 0.00 H new ATOM 0 HB3 LYS A 125 14.200 3.568 -0.205 1.00 0.00 H new ATOM 0 HG2 LYS A 125 14.782 5.342 -1.734 1.00 0.00 H new ATOM 0 HG3 LYS A 125 14.512 3.866 -2.639 1.00 0.00 H new ATOM 0 HD2 LYS A 125 12.424 4.655 -3.514 1.00 0.00 H new ATOM 0 HD3 LYS A 125 12.355 5.982 -2.371 1.00 0.00 H new ATOM 0 HE2 LYS A 125 12.909 6.944 -4.482 1.00 0.00 H new ATOM 0 HE3 LYS A 125 14.374 6.995 -3.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 14.815 6.290 -5.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 15.163 5.031 -4.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 13.743 4.983 -5.604 1.00 0.00 H new ATOM 1962 N ARG A 126 13.196 0.762 -0.132 1.00 0.00 N ATOM 1963 CA ARG A 126 13.220 -0.416 0.768 1.00 0.00 C ATOM 1964 C ARG A 126 14.043 -0.148 2.065 1.00 0.00 C ATOM 1965 O ARG A 126 15.086 0.513 2.051 1.00 0.00 O ATOM 1966 CB ARG A 126 13.734 -1.624 -0.054 1.00 0.00 C ATOM 1967 CG ARG A 126 13.549 -2.975 0.653 1.00 0.00 C ATOM 1968 CD ARG A 126 13.872 -4.185 -0.236 1.00 0.00 C ATOM 1969 NE ARG A 126 13.696 -5.443 0.527 1.00 0.00 N ATOM 1970 CZ ARG A 126 13.955 -6.671 0.043 1.00 0.00 C ATOM 1971 NH1 ARG A 126 14.358 -6.911 -1.204 1.00 0.00 N ATOM 1972 NH2 ARG A 126 13.803 -7.698 0.855 1.00 0.00 N ATOM 0 H ARG A 126 13.850 0.697 -0.912 1.00 0.00 H new ATOM 0 HA ARG A 126 12.217 -0.638 1.132 1.00 0.00 H new ATOM 0 HB2 ARG A 126 13.212 -1.650 -1.010 1.00 0.00 H new ATOM 0 HB3 ARG A 126 14.792 -1.480 -0.272 1.00 0.00 H new ATOM 0 HG2 ARG A 126 14.187 -3.003 1.536 1.00 0.00 H new ATOM 0 HG3 ARG A 126 12.519 -3.055 1.001 1.00 0.00 H new ATOM 0 HD2 ARG A 126 13.221 -4.187 -1.110 1.00 0.00 H new ATOM 0 HD3 ARG A 126 14.896 -4.113 -0.602 1.00 0.00 H new ATOM 0 HE ARG A 126 13.355 -5.373 1.486 1.00 0.00 H new ATOM 0 HH11 ARG A 126 14.487 -6.137 -1.856 1.00 0.00 H new ATOM 0 HH12 ARG A 126 14.537 -7.868 -1.507 1.00 0.00 H new ATOM 0 HH21 ARG A 126 13.498 -7.547 1.817 1.00 0.00 H new ATOM 0 HH22 ARG A 126 13.990 -8.644 0.522 1.00 0.00 H new ATOM 1986 N ILE A 127 13.501 -0.652 3.187 1.00 0.00 N ATOM 1987 CA ILE A 127 13.838 -0.164 4.550 1.00 0.00 C ATOM 1988 C ILE A 127 14.273 -1.408 5.348 1.00 0.00 C ATOM 1989 O ILE A 127 13.461 -2.238 5.764 1.00 0.00 O ATOM 1990 CB ILE A 127 12.622 0.615 5.172 1.00 0.00 C ATOM 1991 CG1 ILE A 127 12.033 1.761 4.308 1.00 0.00 C ATOM 1992 CG2 ILE A 127 12.868 1.164 6.587 1.00 0.00 C ATOM 1993 CD1 ILE A 127 12.979 2.910 3.905 1.00 0.00 C ATOM 0 H ILE A 127 12.817 -1.409 3.183 1.00 0.00 H new ATOM 0 HA ILE A 127 14.651 0.562 4.554 1.00 0.00 H new ATOM 0 HB ILE A 127 11.884 -0.186 5.215 1.00 0.00 H new ATOM 0 HG12 ILE A 127 11.631 1.321 3.395 1.00 0.00 H new ATOM 0 HG13 ILE A 127 11.192 2.193 4.851 1.00 0.00 H new ATOM 0 HG21 ILE A 127 11.976 1.686 6.935 1.00 0.00 H new ATOM 0 HG22 ILE A 127 13.093 0.339 7.263 1.00 0.00 H new ATOM 0 HG23 ILE A 127 13.709 1.857 6.567 1.00 0.00 H new ATOM 0 HD11 ILE A 127 12.433 3.637 3.305 1.00 0.00 H new ATOM 0 HD12 ILE A 127 13.364 3.396 4.802 1.00 0.00 H new ATOM 0 HD13 ILE A 127 13.810 2.510 3.324 1.00 0.00 H new TER 2005 ILE A 127