USER MOD reduce.3.24.130724 H: found=0, std=0, add=1017, rem=0, adj=22 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= 0.184 USER MOD Set 1.2: A 102 THR OG1 : rot 180:sc= 0 USER MOD Set 1.3: A 111 ASN : amide:sc= 0.106 X(o=0.29,f=0.13) USER MOD Set 1.4: A 113 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 81 THR OG1 : rot -77:sc= 0.696 USER MOD Set 2.2: A 93 THR OG1 : rot 49:sc= 0.883 USER MOD Set 3.1: A 73 THR OG1 : rot -77:sc= 0.837 USER MOD Set 3.2: A 75 THR OG1 : rot -4:sc= 0.235 USER MOD Set 4.1: A 47 HIS : no HD1:sc= 0.0343 X(o=0.068,f=0) USER MOD Set 4.2: A 64 THR OG1 : rot -116:sc= 0.0335 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 13:sc= 0.129 USER MOD Single : A 8 GLN : amide:sc= -0.0172 X(o=-0.017,f=-0.026) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=-0.0057) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0.146 K(o=0.15,f=-1.5) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 19 MET CE :methyl -161:sc= 0 (180deg=-0.173) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-1.6) 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 39 SER OG : rot -140:sc= 0 USER MOD Single : A 43 GLN : amide:sc=-0.00286 X(o=-0.0029,f=-0.055) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=-0.06) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 86:sc= 0.00601 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0.21) USER MOD Single : A 61 ASN : amide:sc= 0.175 K(o=0.18,f=-1.9) USER MOD Single : A 69 CYS SG : rot 63:sc= -0.468 USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= -0.396 X(o=-0.4,f=-0.045) USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=-0.43) 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) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= 0.0534 X(o=0.053,f=0) USER MOD Single : A 110 THR OG1 : rot 180:sc= -0.193 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 THR OG1 : rot 180:sc= -0.203 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 2 12.445 -9.880 -4.238 1.00 0.00 N ATOM 2 CA SER A 2 11.962 -10.273 -2.908 1.00 0.00 C ATOM 3 C SER A 2 10.967 -9.206 -2.387 1.00 0.00 C ATOM 4 O SER A 2 11.354 -8.078 -2.058 1.00 0.00 O ATOM 5 CB SER A 2 13.158 -10.498 -1.956 1.00 0.00 C ATOM 6 OG SER A 2 12.714 -10.937 -0.677 1.00 0.00 O ATOM 0 HA SER A 2 11.424 -11.220 -2.963 1.00 0.00 H new ATOM 0 HB2 SER A 2 13.834 -11.238 -2.384 1.00 0.00 H new ATOM 0 HB3 SER A 2 13.723 -9.572 -1.851 1.00 0.00 H new ATOM 0 HG SER A 2 13.488 -11.075 -0.092 1.00 0.00 H new ATOM 12 N PHE A 3 9.687 -9.601 -2.282 1.00 0.00 N ATOM 13 CA PHE A 3 8.608 -8.746 -1.708 1.00 0.00 C ATOM 14 C PHE A 3 8.672 -8.459 -0.177 1.00 0.00 C ATOM 15 O PHE A 3 8.191 -7.396 0.222 1.00 0.00 O ATOM 16 CB PHE A 3 7.218 -9.329 -2.095 1.00 0.00 C ATOM 17 CG PHE A 3 6.678 -8.896 -3.466 1.00 0.00 C ATOM 18 CD1 PHE A 3 6.022 -7.665 -3.590 1.00 0.00 C ATOM 19 CD2 PHE A 3 6.810 -9.719 -4.590 1.00 0.00 C ATOM 20 CE1 PHE A 3 5.519 -7.260 -4.821 1.00 0.00 C ATOM 21 CE2 PHE A 3 6.307 -9.305 -5.821 1.00 0.00 C ATOM 22 CZ PHE A 3 5.675 -8.072 -5.936 1.00 0.00 C ATOM 0 H PHE A 3 9.361 -10.518 -2.589 1.00 0.00 H new ATOM 0 HA PHE A 3 8.773 -7.766 -2.155 1.00 0.00 H new ATOM 0 HB2 PHE A 3 7.282 -10.417 -2.076 1.00 0.00 H new ATOM 0 HB3 PHE A 3 6.496 -9.039 -1.331 1.00 0.00 H new ATOM 0 HD1 PHE A 3 5.906 -7.028 -2.726 1.00 0.00 H new ATOM 0 HD2 PHE A 3 7.302 -10.676 -4.503 1.00 0.00 H new ATOM 0 HE1 PHE A 3 5.007 -6.313 -4.910 1.00 0.00 H new ATOM 0 HE2 PHE A 3 6.408 -9.942 -6.687 1.00 0.00 H new ATOM 0 HZ PHE A 3 5.304 -7.745 -6.896 1.00 0.00 H new ATOM 32 N SER A 4 9.233 -9.349 0.670 1.00 0.00 N ATOM 33 CA SER A 4 9.290 -9.138 2.140 1.00 0.00 C ATOM 34 C SER A 4 10.185 -7.938 2.563 1.00 0.00 C ATOM 35 O SER A 4 11.358 -7.851 2.185 1.00 0.00 O ATOM 36 CB SER A 4 9.722 -10.435 2.856 1.00 0.00 C ATOM 37 OG SER A 4 10.986 -10.918 2.409 1.00 0.00 O ATOM 0 H SER A 4 9.655 -10.225 0.363 1.00 0.00 H new ATOM 0 HA SER A 4 8.279 -8.877 2.453 1.00 0.00 H new ATOM 0 HB2 SER A 4 9.766 -10.254 3.930 1.00 0.00 H new ATOM 0 HB3 SER A 4 8.966 -11.203 2.693 1.00 0.00 H new ATOM 0 HG SER A 4 11.213 -11.739 2.894 1.00 0.00 H new ATOM 43 N GLY A 5 9.583 -7.023 3.335 1.00 0.00 N ATOM 44 CA GLY A 5 10.259 -5.791 3.792 1.00 0.00 C ATOM 45 C GLY A 5 9.293 -4.624 4.096 1.00 0.00 C ATOM 46 O GLY A 5 8.120 -4.613 3.706 1.00 0.00 O ATOM 0 H GLY A 5 8.620 -7.110 3.661 1.00 0.00 H new ATOM 0 HA2 GLY A 5 10.836 -6.016 4.689 1.00 0.00 H new ATOM 0 HA3 GLY A 5 10.969 -5.473 3.028 1.00 0.00 H new ATOM 50 N LYS A 6 9.854 -3.604 4.761 1.00 0.00 N ATOM 51 CA LYS A 6 9.186 -2.284 4.957 1.00 0.00 C ATOM 52 C LYS A 6 9.539 -1.329 3.780 1.00 0.00 C ATOM 53 O LYS A 6 10.648 -1.381 3.237 1.00 0.00 O ATOM 54 CB LYS A 6 9.617 -1.654 6.309 1.00 0.00 C ATOM 55 CG LYS A 6 9.074 -2.377 7.561 1.00 0.00 C ATOM 56 CD LYS A 6 9.372 -1.623 8.871 1.00 0.00 C ATOM 57 CE LYS A 6 8.765 -2.325 10.099 1.00 0.00 C ATOM 58 NZ LYS A 6 9.071 -1.602 11.345 1.00 0.00 N ATOM 0 H LYS A 6 10.781 -3.658 5.182 1.00 0.00 H new ATOM 0 HA LYS A 6 8.107 -2.437 4.976 1.00 0.00 H new ATOM 0 HB2 LYS A 6 10.706 -1.641 6.357 1.00 0.00 H new ATOM 0 HB3 LYS A 6 9.285 -0.616 6.333 1.00 0.00 H new ATOM 0 HG2 LYS A 6 7.996 -2.506 7.460 1.00 0.00 H new ATOM 0 HG3 LYS A 6 9.511 -3.374 7.615 1.00 0.00 H new ATOM 0 HD2 LYS A 6 10.451 -1.537 9.001 1.00 0.00 H new ATOM 0 HD3 LYS A 6 8.977 -0.609 8.802 1.00 0.00 H new ATOM 0 HE2 LYS A 6 7.684 -2.401 9.978 1.00 0.00 H new ATOM 0 HE3 LYS A 6 9.151 -3.342 10.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 8.646 -2.104 12.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 10.102 -1.552 11.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 8.681 -0.639 11.292 1.00 0.00 H new ATOM 72 N TYR A 7 8.583 -0.470 3.375 1.00 0.00 N ATOM 73 CA TYR A 7 8.758 0.425 2.198 1.00 0.00 C ATOM 74 C TYR A 7 8.095 1.792 2.532 1.00 0.00 C ATOM 75 O TYR A 7 6.866 1.904 2.506 1.00 0.00 O ATOM 76 CB TYR A 7 8.144 -0.185 0.898 1.00 0.00 C ATOM 77 CG TYR A 7 8.693 -1.534 0.388 1.00 0.00 C ATOM 78 CD1 TYR A 7 8.168 -2.734 0.885 1.00 0.00 C ATOM 79 CD2 TYR A 7 9.695 -1.581 -0.587 1.00 0.00 C ATOM 80 CE1 TYR A 7 8.668 -3.956 0.447 1.00 0.00 C ATOM 81 CE2 TYR A 7 10.177 -2.806 -1.043 1.00 0.00 C ATOM 82 CZ TYR A 7 9.676 -3.994 -0.511 1.00 0.00 C ATOM 83 OH TYR A 7 10.197 -5.199 -0.905 1.00 0.00 O ATOM 0 H TYR A 7 7.681 -0.372 3.840 1.00 0.00 H new ATOM 0 HA TYR A 7 9.822 0.553 2.002 1.00 0.00 H new ATOM 0 HB2 TYR A 7 7.073 -0.303 1.061 1.00 0.00 H new ATOM 0 HB3 TYR A 7 8.266 0.546 0.099 1.00 0.00 H new ATOM 0 HD1 TYR A 7 7.370 -2.710 1.613 1.00 0.00 H new ATOM 0 HD2 TYR A 7 10.097 -0.663 -0.988 1.00 0.00 H new ATOM 0 HE1 TYR A 7 8.273 -4.876 0.851 1.00 0.00 H new ATOM 0 HE2 TYR A 7 10.938 -2.836 -1.808 1.00 0.00 H new ATOM 0 HH TYR A 7 9.623 -5.925 -0.582 1.00 0.00 H new ATOM 93 N GLN A 8 8.894 2.838 2.829 1.00 0.00 N ATOM 94 CA GLN A 8 8.354 4.175 3.232 1.00 0.00 C ATOM 95 C GLN A 8 8.079 5.075 1.988 1.00 0.00 C ATOM 96 O GLN A 8 8.976 5.283 1.169 1.00 0.00 O ATOM 97 CB GLN A 8 9.340 4.795 4.260 1.00 0.00 C ATOM 98 CG GLN A 8 8.904 6.089 4.984 1.00 0.00 C ATOM 99 CD GLN A 8 9.119 7.389 4.187 1.00 0.00 C ATOM 100 OE1 GLN A 8 10.215 7.687 3.713 1.00 0.00 O ATOM 101 NE2 GLN A 8 8.083 8.191 4.037 1.00 0.00 N ATOM 0 H GLN A 8 9.913 2.794 2.801 1.00 0.00 H new ATOM 0 HA GLN A 8 7.381 4.076 3.713 1.00 0.00 H new ATOM 0 HB2 GLN A 8 9.551 4.041 5.019 1.00 0.00 H new ATOM 0 HB3 GLN A 8 10.278 4.999 3.744 1.00 0.00 H new ATOM 0 HG2 GLN A 8 7.847 6.007 5.236 1.00 0.00 H new ATOM 0 HG3 GLN A 8 9.451 6.163 5.924 1.00 0.00 H new ATOM 0 HE21 GLN A 8 7.179 7.935 4.433 1.00 0.00 H new ATOM 0 HE22 GLN A 8 8.186 9.067 3.525 1.00 0.00 H new ATOM 110 N LEU A 9 6.847 5.623 1.880 1.00 0.00 N ATOM 111 CA LEU A 9 6.383 6.401 0.693 1.00 0.00 C ATOM 112 C LEU A 9 7.085 7.782 0.552 1.00 0.00 C ATOM 113 O LEU A 9 6.835 8.701 1.338 1.00 0.00 O ATOM 114 CB LEU A 9 4.830 6.514 0.720 1.00 0.00 C ATOM 115 CG LEU A 9 4.150 7.205 -0.499 1.00 0.00 C ATOM 116 CD1 LEU A 9 4.373 6.479 -1.839 1.00 0.00 C ATOM 117 CD2 LEU A 9 2.642 7.395 -0.240 1.00 0.00 C ATOM 0 H LEU A 9 6.140 5.542 2.611 1.00 0.00 H new ATOM 0 HA LEU A 9 6.675 5.855 -0.204 1.00 0.00 H new ATOM 0 HB2 LEU A 9 4.419 5.509 0.812 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.546 7.059 1.620 1.00 0.00 H new ATOM 0 HG LEU A 9 4.636 8.176 -0.598 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.868 7.024 -2.636 1.00 0.00 H new ATOM 0 HD12 LEU A 9 5.441 6.430 -2.053 1.00 0.00 H new ATOM 0 HD13 LEU A 9 3.969 5.469 -1.777 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.183 7.879 -1.102 1.00 0.00 H new ATOM 0 HD22 LEU A 9 2.175 6.423 -0.078 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.500 8.017 0.644 1.00 0.00 H new ATOM 129 N GLN A 10 7.949 7.904 -0.472 1.00 0.00 N ATOM 130 CA GLN A 10 8.822 9.095 -0.669 1.00 0.00 C ATOM 131 C GLN A 10 8.252 10.073 -1.739 1.00 0.00 C ATOM 132 O GLN A 10 8.011 11.239 -1.414 1.00 0.00 O ATOM 133 CB GLN A 10 10.299 8.707 -0.983 1.00 0.00 C ATOM 134 CG GLN A 10 10.978 7.708 -0.016 1.00 0.00 C ATOM 135 CD GLN A 10 12.518 7.712 -0.072 1.00 0.00 C ATOM 136 OE1 GLN A 10 13.132 7.795 -1.137 1.00 0.00 O ATOM 137 NE2 GLN A 10 13.178 7.578 1.068 1.00 0.00 N ATOM 0 H GLN A 10 8.068 7.188 -1.188 1.00 0.00 H new ATOM 0 HA GLN A 10 8.828 9.625 0.284 1.00 0.00 H new ATOM 0 HB2 GLN A 10 10.333 8.285 -1.987 1.00 0.00 H new ATOM 0 HB3 GLN A 10 10.894 9.620 -1.001 1.00 0.00 H new ATOM 0 HG2 GLN A 10 10.663 7.936 1.002 1.00 0.00 H new ATOM 0 HG3 GLN A 10 10.621 6.703 -0.242 1.00 0.00 H new ATOM 0 HE21 GLN A 10 12.667 7.510 1.948 1.00 0.00 H new ATOM 0 HE22 GLN A 10 14.197 7.543 1.066 1.00 0.00 H new ATOM 146 N SER A 11 8.082 9.618 -3.001 1.00 0.00 N ATOM 147 CA SER A 11 7.789 10.502 -4.162 1.00 0.00 C ATOM 148 C SER A 11 6.536 9.992 -4.924 1.00 0.00 C ATOM 149 O SER A 11 6.370 8.787 -5.132 1.00 0.00 O ATOM 150 CB SER A 11 9.036 10.537 -5.078 1.00 0.00 C ATOM 151 OG SER A 11 8.864 11.467 -6.143 1.00 0.00 O ATOM 0 H SER A 11 8.143 8.630 -3.247 1.00 0.00 H new ATOM 0 HA SER A 11 7.569 11.514 -3.822 1.00 0.00 H new ATOM 0 HB2 SER A 11 9.914 10.809 -4.492 1.00 0.00 H new ATOM 0 HB3 SER A 11 9.220 9.543 -5.485 1.00 0.00 H new ATOM 0 HG SER A 11 9.666 11.471 -6.706 1.00 0.00 H new ATOM 157 N GLN A 12 5.665 10.929 -5.344 1.00 0.00 N ATOM 158 CA GLN A 12 4.412 10.602 -6.076 1.00 0.00 C ATOM 159 C GLN A 12 4.269 11.532 -7.310 1.00 0.00 C ATOM 160 O GLN A 12 4.382 12.760 -7.211 1.00 0.00 O ATOM 161 CB GLN A 12 3.143 10.730 -5.188 1.00 0.00 C ATOM 162 CG GLN A 12 3.008 9.732 -4.013 1.00 0.00 C ATOM 163 CD GLN A 12 3.506 10.256 -2.656 1.00 0.00 C ATOM 164 OE1 GLN A 12 4.686 10.162 -2.319 1.00 0.00 O ATOM 165 NE2 GLN A 12 2.614 10.797 -1.840 1.00 0.00 N ATOM 0 H GLN A 12 5.802 11.928 -5.190 1.00 0.00 H new ATOM 0 HA GLN A 12 4.489 9.560 -6.386 1.00 0.00 H new ATOM 0 HB2 GLN A 12 3.115 11.740 -4.780 1.00 0.00 H new ATOM 0 HB3 GLN A 12 2.268 10.620 -5.829 1.00 0.00 H new ATOM 0 HG2 GLN A 12 1.960 9.450 -3.914 1.00 0.00 H new ATOM 0 HG3 GLN A 12 3.560 8.825 -4.261 1.00 0.00 H new ATOM 0 HE21 GLN A 12 1.638 10.871 -2.128 1.00 0.00 H new ATOM 0 HE22 GLN A 12 2.903 11.140 -0.924 1.00 0.00 H new ATOM 174 N GLU A 13 3.936 10.920 -8.459 1.00 0.00 N ATOM 175 CA GLU A 13 3.514 11.645 -9.686 1.00 0.00 C ATOM 176 C GLU A 13 2.064 12.208 -9.556 1.00 0.00 C ATOM 177 O GLU A 13 1.896 13.431 -9.586 1.00 0.00 O ATOM 178 CB GLU A 13 3.733 10.709 -10.914 1.00 0.00 C ATOM 179 CG GLU A 13 3.365 11.261 -12.310 1.00 0.00 C ATOM 180 CD GLU A 13 4.169 12.488 -12.750 1.00 0.00 C ATOM 181 OE1 GLU A 13 5.298 12.322 -13.261 1.00 0.00 O ATOM 182 OE2 GLU A 13 3.673 13.625 -12.584 1.00 0.00 O ATOM 0 H GLU A 13 3.949 9.906 -8.571 1.00 0.00 H new ATOM 0 HA GLU A 13 4.130 12.532 -9.834 1.00 0.00 H new ATOM 0 HB2 GLU A 13 4.784 10.421 -10.933 1.00 0.00 H new ATOM 0 HB3 GLU A 13 3.156 9.799 -10.750 1.00 0.00 H new ATOM 0 HG2 GLU A 13 3.505 10.470 -13.046 1.00 0.00 H new ATOM 0 HG3 GLU A 13 2.306 11.518 -12.316 1.00 0.00 H new ATOM 189 N ASN A 14 1.045 11.331 -9.436 1.00 0.00 N ATOM 190 CA ASN A 14 -0.386 11.741 -9.418 1.00 0.00 C ATOM 191 C ASN A 14 -1.082 11.260 -8.108 1.00 0.00 C ATOM 192 O ASN A 14 -2.002 10.439 -8.150 1.00 0.00 O ATOM 193 CB ASN A 14 -1.061 11.208 -10.722 1.00 0.00 C ATOM 194 CG ASN A 14 -0.837 12.017 -12.019 1.00 0.00 C ATOM 195 OD1 ASN A 14 -0.061 12.970 -12.085 1.00 0.00 O ATOM 196 ND2 ASN A 14 -1.520 11.637 -13.089 1.00 0.00 N ATOM 0 H ASN A 14 1.183 10.324 -9.349 1.00 0.00 H new ATOM 0 HA ASN A 14 -0.483 12.827 -9.410 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -0.707 10.191 -10.893 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -2.135 11.146 -10.545 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -1.404 12.135 -13.972 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -2.162 10.847 -13.030 1.00 0.00 H new ATOM 203 N PHE A 15 -0.688 11.818 -6.941 1.00 0.00 N ATOM 204 CA PHE A 15 -1.441 11.638 -5.662 1.00 0.00 C ATOM 205 C PHE A 15 -2.743 12.496 -5.625 1.00 0.00 C ATOM 206 O PHE A 15 -3.813 11.944 -5.362 1.00 0.00 O ATOM 207 CB PHE A 15 -0.508 11.891 -4.441 1.00 0.00 C ATOM 208 CG PHE A 15 -1.073 11.470 -3.067 1.00 0.00 C ATOM 209 CD1 PHE A 15 -1.867 12.352 -2.325 1.00 0.00 C ATOM 210 CD2 PHE A 15 -0.791 10.204 -2.542 1.00 0.00 C ATOM 211 CE1 PHE A 15 -2.380 11.967 -1.089 1.00 0.00 C ATOM 212 CE2 PHE A 15 -1.289 9.827 -1.298 1.00 0.00 C ATOM 213 CZ PHE A 15 -2.086 10.710 -0.573 1.00 0.00 C ATOM 0 H PHE A 15 0.146 12.398 -6.850 1.00 0.00 H new ATOM 0 HA PHE A 15 -1.774 10.602 -5.603 1.00 0.00 H new ATOM 0 HB2 PHE A 15 0.429 11.359 -4.607 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -0.268 12.954 -4.404 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -2.083 13.336 -2.713 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -0.182 9.514 -3.107 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -3.007 12.646 -0.530 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -1.058 8.852 -0.896 1.00 0.00 H new ATOM 0 HZ PHE A 15 -2.476 10.418 0.391 1.00 0.00 H new ATOM 223 N GLU A 16 -2.655 13.817 -5.895 1.00 0.00 N ATOM 224 CA GLU A 16 -3.837 14.719 -5.994 1.00 0.00 C ATOM 225 C GLU A 16 -4.865 14.345 -7.106 1.00 0.00 C ATOM 226 O GLU A 16 -6.065 14.304 -6.821 1.00 0.00 O ATOM 227 CB GLU A 16 -3.384 16.200 -6.131 1.00 0.00 C ATOM 228 CG GLU A 16 -2.614 16.786 -4.925 1.00 0.00 C ATOM 229 CD GLU A 16 -2.165 18.231 -5.157 1.00 0.00 C ATOM 230 OE1 GLU A 16 -2.981 19.158 -4.959 1.00 0.00 O ATOM 231 OE2 GLU A 16 -0.993 18.446 -5.539 1.00 0.00 O ATOM 0 H GLU A 16 -1.767 14.293 -6.051 1.00 0.00 H new ATOM 0 HA GLU A 16 -4.379 14.582 -5.058 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.754 16.286 -7.016 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.267 16.815 -6.307 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -3.248 16.745 -4.039 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -1.741 16.167 -4.721 1.00 0.00 H new ATOM 238 N ALA A 17 -4.402 14.047 -8.339 1.00 0.00 N ATOM 239 CA ALA A 17 -5.273 13.555 -9.438 1.00 0.00 C ATOM 240 C ALA A 17 -5.920 12.145 -9.240 1.00 0.00 C ATOM 241 O ALA A 17 -7.069 11.970 -9.653 1.00 0.00 O ATOM 242 CB ALA A 17 -4.471 13.632 -10.750 1.00 0.00 C ATOM 0 H ALA A 17 -3.421 14.139 -8.604 1.00 0.00 H new ATOM 0 HA ALA A 17 -6.145 14.209 -9.456 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -5.088 13.276 -11.575 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -4.177 14.665 -10.936 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -3.580 13.010 -10.669 1.00 0.00 H new ATOM 248 N PHE A 18 -5.227 11.165 -8.616 1.00 0.00 N ATOM 249 CA PHE A 18 -5.808 9.826 -8.299 1.00 0.00 C ATOM 250 C PHE A 18 -6.828 9.850 -7.126 1.00 0.00 C ATOM 251 O PHE A 18 -7.955 9.395 -7.329 1.00 0.00 O ATOM 252 CB PHE A 18 -4.665 8.795 -8.085 1.00 0.00 C ATOM 253 CG PHE A 18 -5.094 7.324 -7.897 1.00 0.00 C ATOM 254 CD1 PHE A 18 -5.281 6.482 -9.000 1.00 0.00 C ATOM 255 CD2 PHE A 18 -5.265 6.808 -6.606 1.00 0.00 C ATOM 256 CE1 PHE A 18 -5.629 5.148 -8.813 1.00 0.00 C ATOM 257 CE2 PHE A 18 -5.607 5.471 -6.422 1.00 0.00 C ATOM 258 CZ PHE A 18 -5.790 4.644 -7.525 1.00 0.00 C ATOM 0 H PHE A 18 -4.257 11.271 -8.317 1.00 0.00 H new ATOM 0 HA PHE A 18 -6.400 9.512 -9.159 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -3.992 8.848 -8.941 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -4.091 9.098 -7.209 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -5.155 6.870 -10.000 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -5.131 7.451 -5.749 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -5.774 4.503 -9.667 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -5.730 5.077 -5.424 1.00 0.00 H new ATOM 0 HZ PHE A 18 -6.058 3.608 -7.382 1.00 0.00 H new ATOM 268 N MET A 19 -6.443 10.348 -5.931 1.00 0.00 N ATOM 269 CA MET A 19 -7.335 10.425 -4.741 1.00 0.00 C ATOM 270 C MET A 19 -8.659 11.229 -4.946 1.00 0.00 C ATOM 271 O MET A 19 -9.713 10.744 -4.532 1.00 0.00 O ATOM 272 CB MET A 19 -6.537 10.948 -3.522 1.00 0.00 C ATOM 273 CG MET A 19 -5.632 9.930 -2.805 1.00 0.00 C ATOM 274 SD MET A 19 -4.323 9.254 -3.844 1.00 0.00 S ATOM 275 CE MET A 19 -3.917 7.790 -2.866 1.00 0.00 C ATOM 0 H MET A 19 -5.505 10.710 -5.758 1.00 0.00 H new ATOM 0 HA MET A 19 -7.675 9.406 -4.559 1.00 0.00 H new ATOM 0 HB2 MET A 19 -5.918 11.782 -3.852 1.00 0.00 H new ATOM 0 HB3 MET A 19 -7.246 11.345 -2.795 1.00 0.00 H new ATOM 0 HG2 MET A 19 -5.181 10.409 -1.936 1.00 0.00 H new ATOM 0 HG3 MET A 19 -6.247 9.110 -2.434 1.00 0.00 H new ATOM 0 HE1 MET A 19 -2.929 7.427 -3.148 1.00 0.00 H new ATOM 0 HE2 MET A 19 -3.921 8.047 -1.807 1.00 0.00 H new ATOM 0 HE3 MET A 19 -4.656 7.011 -3.053 1.00 0.00 H new ATOM 285 N LYS A 20 -8.624 12.403 -5.615 1.00 0.00 N ATOM 286 CA LYS A 20 -9.847 13.123 -6.067 1.00 0.00 C ATOM 287 C LYS A 20 -10.707 12.334 -7.112 1.00 0.00 C ATOM 288 O LYS A 20 -11.929 12.284 -6.945 1.00 0.00 O ATOM 289 CB LYS A 20 -9.428 14.546 -6.548 1.00 0.00 C ATOM 290 CG LYS A 20 -10.531 15.628 -6.553 1.00 0.00 C ATOM 291 CD LYS A 20 -11.464 15.639 -7.785 1.00 0.00 C ATOM 292 CE LYS A 20 -12.556 16.727 -7.763 1.00 0.00 C ATOM 293 NZ LYS A 20 -13.621 16.464 -6.774 1.00 0.00 N ATOM 0 H LYS A 20 -7.756 12.880 -5.858 1.00 0.00 H new ATOM 0 HA LYS A 20 -10.528 13.217 -5.221 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -8.613 14.894 -5.913 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -9.030 14.460 -7.559 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -11.143 15.499 -5.660 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -10.054 16.605 -6.474 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -10.857 15.772 -8.681 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -11.945 14.664 -7.867 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -12.095 17.690 -7.544 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -13.002 16.805 -8.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -14.323 17.230 -6.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -14.084 15.559 -6.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -13.206 16.417 -5.821 1.00 0.00 H new ATOM 307 N ALA A 21 -10.095 11.697 -8.140 1.00 0.00 N ATOM 308 CA ALA A 21 -10.822 10.817 -9.102 1.00 0.00 C ATOM 309 C ALA A 21 -11.548 9.557 -8.528 1.00 0.00 C ATOM 310 O ALA A 21 -12.558 9.143 -9.105 1.00 0.00 O ATOM 311 CB ALA A 21 -9.845 10.401 -10.218 1.00 0.00 C ATOM 0 H ALA A 21 -9.096 11.774 -8.329 1.00 0.00 H new ATOM 0 HA ALA A 21 -11.648 11.429 -9.463 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -10.360 9.757 -10.931 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.479 11.290 -10.731 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.004 9.861 -9.783 1.00 0.00 H new ATOM 317 N ILE A 22 -11.064 8.967 -7.414 1.00 0.00 N ATOM 318 CA ILE A 22 -11.753 7.847 -6.701 1.00 0.00 C ATOM 319 C ILE A 22 -12.869 8.370 -5.736 1.00 0.00 C ATOM 320 O ILE A 22 -14.019 7.944 -5.875 1.00 0.00 O ATOM 321 CB ILE A 22 -10.744 6.818 -6.069 1.00 0.00 C ATOM 322 CG1 ILE A 22 -9.742 7.425 -5.041 1.00 0.00 C ATOM 323 CG2 ILE A 22 -10.008 6.033 -7.184 1.00 0.00 C ATOM 324 CD1 ILE A 22 -8.798 6.453 -4.323 1.00 0.00 C ATOM 0 H ILE A 22 -10.186 9.247 -6.977 1.00 0.00 H new ATOM 0 HA ILE A 22 -12.288 7.257 -7.446 1.00 0.00 H new ATOM 0 HB ILE A 22 -11.353 6.132 -5.479 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -9.133 8.166 -5.560 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -10.317 7.959 -4.284 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -9.313 5.325 -6.732 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -10.736 5.492 -7.789 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -9.457 6.729 -7.816 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -8.157 7.008 -3.638 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -9.384 5.725 -3.762 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -8.182 5.935 -5.058 1.00 0.00 H new ATOM 336 N GLY A 23 -12.550 9.290 -4.803 1.00 0.00 N ATOM 337 CA GLY A 23 -13.561 9.986 -3.977 1.00 0.00 C ATOM 338 C GLY A 23 -13.042 10.367 -2.581 1.00 0.00 C ATOM 339 O GLY A 23 -13.546 9.830 -1.590 1.00 0.00 O ATOM 0 H GLY A 23 -11.591 9.571 -4.601 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -13.886 10.888 -4.495 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -14.437 9.346 -3.870 1.00 0.00 H new ATOM 343 N LEU A 24 -12.073 11.301 -2.501 1.00 0.00 N ATOM 344 CA LEU A 24 -11.512 11.784 -1.217 1.00 0.00 C ATOM 345 C LEU A 24 -11.493 13.352 -1.162 1.00 0.00 C ATOM 346 O LEU A 24 -11.253 13.991 -2.194 1.00 0.00 O ATOM 347 CB LEU A 24 -10.087 11.199 -1.007 1.00 0.00 C ATOM 348 CG LEU A 24 -10.031 9.744 -0.459 1.00 0.00 C ATOM 349 CD1 LEU A 24 -8.638 9.122 -0.665 1.00 0.00 C ATOM 350 CD2 LEU A 24 -10.454 9.620 1.020 1.00 0.00 C ATOM 0 H LEU A 24 -11.656 11.742 -3.321 1.00 0.00 H new ATOM 0 HA LEU A 24 -12.153 11.438 -0.406 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -9.557 11.230 -1.959 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.545 11.848 -0.319 1.00 0.00 H new ATOM 0 HG LEU A 24 -10.765 9.188 -1.042 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -8.632 8.105 -0.272 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -8.403 9.101 -1.729 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -7.892 9.719 -0.140 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -10.389 8.577 1.331 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -9.792 10.225 1.640 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -11.480 9.970 1.136 1.00 0.00 H new ATOM 362 N PRO A 25 -11.695 14.011 0.023 1.00 0.00 N ATOM 363 CA PRO A 25 -11.682 15.494 0.153 1.00 0.00 C ATOM 364 C PRO A 25 -10.289 16.153 -0.044 1.00 0.00 C ATOM 365 O PRO A 25 -9.259 15.577 0.314 1.00 0.00 O ATOM 366 CB PRO A 25 -12.189 15.714 1.596 1.00 0.00 C ATOM 367 CG PRO A 25 -11.875 14.424 2.347 1.00 0.00 C ATOM 368 CD PRO A 25 -12.006 13.328 1.293 1.00 0.00 C ATOM 0 HA PRO A 25 -12.287 15.959 -0.625 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -11.693 16.567 2.059 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -13.259 15.923 1.607 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -10.872 14.447 2.774 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -12.569 14.266 3.173 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -11.315 12.507 1.484 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -13.010 12.904 1.282 1.00 0.00 H new ATOM 376 N GLU A 26 -10.295 17.404 -0.536 1.00 0.00 N ATOM 377 CA GLU A 26 -9.079 18.265 -0.630 1.00 0.00 C ATOM 378 C GLU A 26 -8.244 18.443 0.689 1.00 0.00 C ATOM 379 O GLU A 26 -7.013 18.458 0.615 1.00 0.00 O ATOM 380 CB GLU A 26 -9.529 19.613 -1.264 1.00 0.00 C ATOM 381 CG GLU A 26 -8.393 20.564 -1.689 1.00 0.00 C ATOM 382 CD GLU A 26 -8.887 21.800 -2.445 1.00 0.00 C ATOM 383 OE1 GLU A 26 -9.269 22.796 -1.791 1.00 0.00 O ATOM 384 OE2 GLU A 26 -8.890 21.783 -3.696 1.00 0.00 O ATOM 0 H GLU A 26 -11.140 17.858 -0.883 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.351 17.753 -1.259 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -10.142 19.395 -2.139 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -10.166 20.134 -0.550 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -7.846 20.884 -0.802 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.689 20.019 -2.318 1.00 0.00 H new ATOM 391 N GLU A 27 -8.893 18.522 1.872 1.00 0.00 N ATOM 392 CA GLU A 27 -8.202 18.508 3.192 1.00 0.00 C ATOM 393 C GLU A 27 -7.426 17.185 3.504 1.00 0.00 C ATOM 394 O GLU A 27 -6.235 17.275 3.810 1.00 0.00 O ATOM 395 CB GLU A 27 -9.234 18.883 4.293 1.00 0.00 C ATOM 396 CG GLU A 27 -8.616 19.177 5.676 1.00 0.00 C ATOM 397 CD GLU A 27 -9.658 19.555 6.730 1.00 0.00 C ATOM 398 OE1 GLU A 27 -10.180 18.650 7.417 1.00 0.00 O ATOM 399 OE2 GLU A 27 -9.955 20.762 6.881 1.00 0.00 O ATOM 0 H GLU A 27 -9.908 18.597 1.945 1.00 0.00 H new ATOM 0 HA GLU A 27 -7.409 19.255 3.165 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -9.793 19.759 3.965 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -9.950 18.067 4.395 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -8.066 18.299 6.016 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -7.894 19.988 5.580 1.00 0.00 H new ATOM 406 N LEU A 28 -8.058 15.989 3.421 1.00 0.00 N ATOM 407 CA LEU A 28 -7.343 14.688 3.628 1.00 0.00 C ATOM 408 C LEU A 28 -6.269 14.295 2.554 1.00 0.00 C ATOM 409 O LEU A 28 -5.340 13.555 2.886 1.00 0.00 O ATOM 410 CB LEU A 28 -8.336 13.508 3.836 1.00 0.00 C ATOM 411 CG LEU A 28 -9.316 13.574 5.046 1.00 0.00 C ATOM 412 CD1 LEU A 28 -10.288 12.377 5.025 1.00 0.00 C ATOM 413 CD2 LEU A 28 -8.606 13.634 6.415 1.00 0.00 C ATOM 0 H LEU A 28 -9.052 15.889 3.215 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.774 14.874 4.539 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.933 13.412 2.929 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.751 12.593 3.931 1.00 0.00 H new ATOM 0 HG LEU A 28 -9.865 14.508 4.930 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -10.964 12.442 5.878 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -10.867 12.394 4.102 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -9.722 11.447 5.081 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -9.351 13.678 7.210 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -7.990 12.744 6.544 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -7.975 14.522 6.459 1.00 0.00 H new ATOM 425 N ILE A 29 -6.366 14.797 1.306 1.00 0.00 N ATOM 426 CA ILE A 29 -5.308 14.660 0.256 1.00 0.00 C ATOM 427 C ILE A 29 -4.026 15.470 0.638 1.00 0.00 C ATOM 428 O ILE A 29 -2.937 14.892 0.675 1.00 0.00 O ATOM 429 CB ILE A 29 -5.895 15.024 -1.159 1.00 0.00 C ATOM 430 CG1 ILE A 29 -7.068 14.086 -1.567 1.00 0.00 C ATOM 431 CG2 ILE A 29 -4.829 15.010 -2.284 1.00 0.00 C ATOM 432 CD1 ILE A 29 -7.896 14.507 -2.792 1.00 0.00 C ATOM 0 H ILE A 29 -7.184 15.315 0.985 1.00 0.00 H new ATOM 0 HA ILE A 29 -4.987 13.620 0.198 1.00 0.00 H new ATOM 0 HB ILE A 29 -6.266 16.043 -1.051 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -6.659 13.094 -1.758 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -7.743 13.995 -0.716 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -5.298 15.269 -3.233 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -4.049 15.736 -2.055 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -4.389 14.015 -2.356 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -8.680 13.772 -2.971 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -8.348 15.482 -2.608 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -7.248 14.566 -3.666 1.00 0.00 H new ATOM 444 N GLN A 30 -4.159 16.779 0.933 1.00 0.00 N ATOM 445 CA GLN A 30 -3.037 17.612 1.458 1.00 0.00 C ATOM 446 C GLN A 30 -2.422 17.179 2.834 1.00 0.00 C ATOM 447 O GLN A 30 -1.254 17.493 3.083 1.00 0.00 O ATOM 448 CB GLN A 30 -3.467 19.110 1.496 1.00 0.00 C ATOM 449 CG GLN A 30 -3.307 19.918 0.186 1.00 0.00 C ATOM 450 CD GLN A 30 -4.289 19.611 -0.955 1.00 0.00 C ATOM 451 OE1 GLN A 30 -5.354 20.214 -1.045 1.00 0.00 O ATOM 452 NE2 GLN A 30 -3.949 18.710 -1.863 1.00 0.00 N ATOM 0 H GLN A 30 -5.033 17.292 0.819 1.00 0.00 H new ATOM 0 HA GLN A 30 -2.222 17.449 0.752 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -4.514 19.155 1.796 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -2.890 19.609 2.275 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -3.394 20.977 0.430 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -2.295 19.759 -0.187 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -3.062 18.213 -1.781 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -4.574 18.513 -2.645 1.00 0.00 H new ATOM 461 N LYS A 31 -3.164 16.456 3.697 1.00 0.00 N ATOM 462 CA LYS A 31 -2.611 15.813 4.917 1.00 0.00 C ATOM 463 C LYS A 31 -1.798 14.530 4.568 1.00 0.00 C ATOM 464 O LYS A 31 -0.602 14.491 4.865 1.00 0.00 O ATOM 465 CB LYS A 31 -3.771 15.545 5.916 1.00 0.00 C ATOM 466 CG LYS A 31 -4.276 16.799 6.665 1.00 0.00 C ATOM 467 CD LYS A 31 -5.547 16.531 7.492 1.00 0.00 C ATOM 468 CE LYS A 31 -6.031 17.777 8.255 1.00 0.00 C ATOM 469 NZ LYS A 31 -7.268 17.495 9.005 1.00 0.00 N ATOM 0 H LYS A 31 -4.164 16.299 3.572 1.00 0.00 H new ATOM 0 HA LYS A 31 -1.899 16.484 5.397 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -4.606 15.101 5.373 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -3.440 14.809 6.648 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -3.489 17.163 7.325 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -4.478 17.590 5.943 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -6.340 16.184 6.830 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -5.351 15.728 8.202 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -5.254 18.110 8.943 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -6.206 18.592 7.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -7.571 18.352 9.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -8.015 17.200 8.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -7.092 16.734 9.691 1.00 0.00 H new ATOM 483 N GLY A 32 -2.415 13.515 3.921 1.00 0.00 N ATOM 484 CA GLY A 32 -1.725 12.262 3.527 1.00 0.00 C ATOM 485 C GLY A 32 -0.528 12.314 2.541 1.00 0.00 C ATOM 486 O GLY A 32 0.274 11.376 2.565 1.00 0.00 O ATOM 0 H GLY A 32 -3.400 13.539 3.658 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -1.372 11.785 4.441 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -2.475 11.602 3.092 1.00 0.00 H new ATOM 490 N LYS A 33 -0.371 13.373 1.714 1.00 0.00 N ATOM 491 CA LYS A 33 0.861 13.583 0.903 1.00 0.00 C ATOM 492 C LYS A 33 2.144 13.895 1.751 1.00 0.00 C ATOM 493 O LYS A 33 3.190 13.283 1.518 1.00 0.00 O ATOM 494 CB LYS A 33 0.561 14.605 -0.230 1.00 0.00 C ATOM 495 CG LYS A 33 0.486 16.094 0.165 1.00 0.00 C ATOM 496 CD LYS A 33 0.054 17.000 -0.997 1.00 0.00 C ATOM 497 CE LYS A 33 0.216 18.503 -0.702 1.00 0.00 C ATOM 498 NZ LYS A 33 1.617 18.963 -0.750 1.00 0.00 N ATOM 0 H LYS A 33 -1.078 14.097 1.587 1.00 0.00 H new ATOM 0 HA LYS A 33 1.129 12.637 0.432 1.00 0.00 H new ATOM 0 HB2 LYS A 33 1.330 14.497 -0.995 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -0.388 14.330 -0.691 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -0.216 16.211 0.990 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.461 16.418 0.528 1.00 0.00 H new ATOM 0 HD2 LYS A 33 0.640 16.747 -1.881 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -0.990 16.796 -1.237 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -0.370 19.072 -1.423 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -0.196 18.718 0.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 1.655 19.981 -0.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 2.177 18.445 -0.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 2.008 18.788 -1.698 1.00 0.00 H new ATOM 512 N ASP A 34 2.042 14.811 2.741 1.00 0.00 N ATOM 513 CA ASP A 34 3.128 15.122 3.710 1.00 0.00 C ATOM 514 C ASP A 34 3.409 14.008 4.775 1.00 0.00 C ATOM 515 O ASP A 34 4.577 13.811 5.123 1.00 0.00 O ATOM 516 CB ASP A 34 2.788 16.492 4.362 1.00 0.00 C ATOM 517 CG ASP A 34 3.926 17.137 5.167 1.00 0.00 C ATOM 518 OD1 ASP A 34 4.801 17.792 4.559 1.00 0.00 O ATOM 519 OD2 ASP A 34 3.947 16.989 6.409 1.00 0.00 O ATOM 0 H ASP A 34 1.198 15.362 2.895 1.00 0.00 H new ATOM 0 HA ASP A 34 4.069 15.170 3.162 1.00 0.00 H new ATOM 0 HB2 ASP A 34 2.483 17.184 3.577 1.00 0.00 H new ATOM 0 HB3 ASP A 34 1.929 16.359 5.020 1.00 0.00 H new ATOM 524 N ILE A 35 2.377 13.296 5.290 1.00 0.00 N ATOM 525 CA ILE A 35 2.535 12.226 6.320 1.00 0.00 C ATOM 526 C ILE A 35 3.313 11.014 5.704 1.00 0.00 C ATOM 527 O ILE A 35 3.021 10.563 4.590 1.00 0.00 O ATOM 528 CB ILE A 35 1.141 11.814 6.931 1.00 0.00 C ATOM 529 CG1 ILE A 35 0.383 12.989 7.630 1.00 0.00 C ATOM 530 CG2 ILE A 35 1.249 10.639 7.944 1.00 0.00 C ATOM 531 CD1 ILE A 35 -1.136 12.780 7.786 1.00 0.00 C ATOM 0 H ILE A 35 1.408 13.443 5.006 1.00 0.00 H new ATOM 0 HA ILE A 35 3.126 12.608 7.153 1.00 0.00 H new ATOM 0 HB ILE A 35 0.567 11.499 6.060 1.00 0.00 H new ATOM 0 HG12 ILE A 35 0.817 13.145 8.618 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.553 13.902 7.059 1.00 0.00 H new ATOM 0 HG21 ILE A 35 0.258 10.400 8.331 1.00 0.00 H new ATOM 0 HG22 ILE A 35 1.664 9.764 7.443 1.00 0.00 H new ATOM 0 HG23 ILE A 35 1.901 10.928 8.769 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.574 13.647 8.281 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.589 12.657 6.802 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -1.321 11.888 8.385 1.00 0.00 H new ATOM 543 N LYS A 36 4.287 10.495 6.477 1.00 0.00 N ATOM 544 CA LYS A 36 5.126 9.338 6.072 1.00 0.00 C ATOM 545 C LYS A 36 4.317 8.012 6.175 1.00 0.00 C ATOM 546 O LYS A 36 4.067 7.504 7.275 1.00 0.00 O ATOM 547 CB LYS A 36 6.408 9.277 6.950 1.00 0.00 C ATOM 548 CG LYS A 36 7.421 10.423 6.722 1.00 0.00 C ATOM 549 CD LYS A 36 8.737 10.218 7.504 1.00 0.00 C ATOM 550 CE LYS A 36 9.802 11.305 7.261 1.00 0.00 C ATOM 551 NZ LYS A 36 10.403 11.232 5.915 1.00 0.00 N ATOM 0 H LYS A 36 4.518 10.862 7.400 1.00 0.00 H new ATOM 0 HA LYS A 36 5.425 9.467 5.032 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.111 9.281 7.999 1.00 0.00 H new ATOM 0 HB3 LYS A 36 6.911 8.328 6.764 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.644 10.500 5.658 1.00 0.00 H new ATOM 0 HG3 LYS A 36 6.968 11.368 7.022 1.00 0.00 H new ATOM 0 HD2 LYS A 36 8.510 10.182 8.569 1.00 0.00 H new ATOM 0 HD3 LYS A 36 9.157 9.249 7.235 1.00 0.00 H new ATOM 0 HE2 LYS A 36 9.349 12.287 7.398 1.00 0.00 H new ATOM 0 HE3 LYS A 36 10.588 11.209 8.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 11.111 11.986 5.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 10.861 10.307 5.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 9.661 11.351 5.196 1.00 0.00 H new ATOM 565 N GLY A 37 3.896 7.486 5.012 1.00 0.00 N ATOM 566 CA GLY A 37 3.041 6.283 4.942 1.00 0.00 C ATOM 567 C GLY A 37 3.860 5.018 4.665 1.00 0.00 C ATOM 568 O GLY A 37 4.266 4.771 3.525 1.00 0.00 O ATOM 0 H GLY A 37 4.135 7.877 4.100 1.00 0.00 H new ATOM 0 HA2 GLY A 37 2.499 6.167 5.881 1.00 0.00 H new ATOM 0 HA3 GLY A 37 2.295 6.412 4.158 1.00 0.00 H new ATOM 572 N VAL A 38 4.082 4.223 5.723 1.00 0.00 N ATOM 573 CA VAL A 38 4.926 2.997 5.653 1.00 0.00 C ATOM 574 C VAL A 38 4.030 1.832 5.142 1.00 0.00 C ATOM 575 O VAL A 38 3.083 1.401 5.810 1.00 0.00 O ATOM 576 CB VAL A 38 5.646 2.659 7.005 1.00 0.00 C ATOM 577 CG1 VAL A 38 6.626 1.465 6.870 1.00 0.00 C ATOM 578 CG2 VAL A 38 6.436 3.843 7.616 1.00 0.00 C ATOM 0 H VAL A 38 3.690 4.400 6.648 1.00 0.00 H new ATOM 0 HA VAL A 38 5.747 3.167 4.956 1.00 0.00 H new ATOM 0 HB VAL A 38 4.823 2.406 7.673 1.00 0.00 H new ATOM 0 HG11 VAL A 38 7.098 1.271 7.833 1.00 0.00 H new ATOM 0 HG12 VAL A 38 6.078 0.579 6.550 1.00 0.00 H new ATOM 0 HG13 VAL A 38 7.392 1.704 6.132 1.00 0.00 H new ATOM 0 HG21 VAL A 38 6.903 3.526 8.548 1.00 0.00 H new ATOM 0 HG22 VAL A 38 7.206 4.167 6.916 1.00 0.00 H new ATOM 0 HG23 VAL A 38 5.755 4.671 7.814 1.00 0.00 H new ATOM 588 N SER A 39 4.378 1.339 3.944 1.00 0.00 N ATOM 589 CA SER A 39 3.702 0.191 3.302 1.00 0.00 C ATOM 590 C SER A 39 4.549 -1.073 3.566 1.00 0.00 C ATOM 591 O SER A 39 5.604 -1.283 2.957 1.00 0.00 O ATOM 592 CB SER A 39 3.531 0.435 1.788 1.00 0.00 C ATOM 593 OG SER A 39 2.803 1.629 1.528 1.00 0.00 O ATOM 0 H SER A 39 5.140 1.725 3.386 1.00 0.00 H new ATOM 0 HA SER A 39 2.704 0.062 3.721 1.00 0.00 H new ATOM 0 HB2 SER A 39 4.512 0.496 1.316 1.00 0.00 H new ATOM 0 HB3 SER A 39 3.013 -0.412 1.339 1.00 0.00 H new ATOM 0 HG SER A 39 2.188 1.481 0.779 1.00 0.00 H new ATOM 599 N GLU A 40 4.064 -1.912 4.487 1.00 0.00 N ATOM 600 CA GLU A 40 4.671 -3.226 4.783 1.00 0.00 C ATOM 601 C GLU A 40 4.151 -4.287 3.784 1.00 0.00 C ATOM 602 O GLU A 40 3.023 -4.212 3.291 1.00 0.00 O ATOM 603 CB GLU A 40 4.312 -3.638 6.231 1.00 0.00 C ATOM 604 CG GLU A 40 4.979 -2.817 7.352 1.00 0.00 C ATOM 605 CD GLU A 40 4.033 -1.853 8.078 1.00 0.00 C ATOM 606 OE1 GLU A 40 3.338 -2.285 9.024 1.00 0.00 O ATOM 607 OE2 GLU A 40 3.974 -0.662 7.702 1.00 0.00 O ATOM 0 H GLU A 40 3.240 -1.705 5.051 1.00 0.00 H new ATOM 0 HA GLU A 40 5.754 -3.157 4.684 1.00 0.00 H new ATOM 0 HB2 GLU A 40 3.231 -3.567 6.350 1.00 0.00 H new ATOM 0 HB3 GLU A 40 4.580 -4.686 6.367 1.00 0.00 H new ATOM 0 HG2 GLU A 40 5.409 -3.503 8.082 1.00 0.00 H new ATOM 0 HG3 GLU A 40 5.804 -2.246 6.926 1.00 0.00 H new ATOM 614 N ILE A 41 5.009 -5.275 3.504 1.00 0.00 N ATOM 615 CA ILE A 41 4.639 -6.470 2.691 1.00 0.00 C ATOM 616 C ILE A 41 5.345 -7.677 3.388 1.00 0.00 C ATOM 617 O ILE A 41 6.543 -7.632 3.683 1.00 0.00 O ATOM 618 CB ILE A 41 4.979 -6.351 1.156 1.00 0.00 C ATOM 619 CG1 ILE A 41 4.409 -5.066 0.472 1.00 0.00 C ATOM 620 CG2 ILE A 41 4.499 -7.610 0.381 1.00 0.00 C ATOM 621 CD1 ILE A 41 4.864 -4.790 -0.970 1.00 0.00 C ATOM 0 H ILE A 41 5.977 -5.282 3.826 1.00 0.00 H new ATOM 0 HA ILE A 41 3.556 -6.593 2.670 1.00 0.00 H new ATOM 0 HB ILE A 41 6.065 -6.273 1.110 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.321 -5.132 0.478 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.680 -4.206 1.085 1.00 0.00 H new ATOM 0 HG21 ILE A 41 4.745 -7.503 -0.675 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.994 -8.495 0.781 1.00 0.00 H new ATOM 0 HG23 ILE A 41 3.420 -7.717 0.493 1.00 0.00 H new ATOM 0 HD11 ILE A 41 4.399 -3.872 -1.329 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.948 -4.681 -0.995 1.00 0.00 H new ATOM 0 HD13 ILE A 41 4.568 -5.621 -1.610 1.00 0.00 H new ATOM 633 N VAL A 42 4.583 -8.761 3.624 1.00 0.00 N ATOM 634 CA VAL A 42 5.095 -10.010 4.257 1.00 0.00 C ATOM 635 C VAL A 42 4.882 -11.128 3.195 1.00 0.00 C ATOM 636 O VAL A 42 3.769 -11.642 3.041 1.00 0.00 O ATOM 637 CB VAL A 42 4.384 -10.309 5.627 1.00 0.00 C ATOM 638 CG1 VAL A 42 4.859 -11.628 6.286 1.00 0.00 C ATOM 639 CG2 VAL A 42 4.530 -9.178 6.674 1.00 0.00 C ATOM 0 H VAL A 42 3.593 -8.805 3.384 1.00 0.00 H new ATOM 0 HA VAL A 42 6.149 -9.930 4.523 1.00 0.00 H new ATOM 0 HB VAL A 42 3.335 -10.394 5.344 1.00 0.00 H new ATOM 0 HG11 VAL A 42 4.330 -11.775 7.228 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.651 -12.464 5.618 1.00 0.00 H new ATOM 0 HG13 VAL A 42 5.931 -11.574 6.477 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.012 -9.461 7.590 1.00 0.00 H new ATOM 0 HG22 VAL A 42 5.586 -9.016 6.889 1.00 0.00 H new ATOM 0 HG23 VAL A 42 4.095 -8.259 6.280 1.00 0.00 H new ATOM 649 N GLN A 43 5.964 -11.516 2.492 1.00 0.00 N ATOM 650 CA GLN A 43 5.933 -12.630 1.510 1.00 0.00 C ATOM 651 C GLN A 43 6.101 -13.987 2.248 1.00 0.00 C ATOM 652 O GLN A 43 7.156 -14.270 2.825 1.00 0.00 O ATOM 653 CB GLN A 43 7.026 -12.393 0.434 1.00 0.00 C ATOM 654 CG GLN A 43 7.108 -13.463 -0.685 1.00 0.00 C ATOM 655 CD GLN A 43 8.122 -13.128 -1.796 1.00 0.00 C ATOM 656 OE1 GLN A 43 9.272 -12.772 -1.537 1.00 0.00 O ATOM 657 NE2 GLN A 43 7.728 -13.249 -3.055 1.00 0.00 N ATOM 0 H GLN A 43 6.879 -11.074 2.584 1.00 0.00 H new ATOM 0 HA GLN A 43 4.971 -12.664 0.999 1.00 0.00 H new ATOM 0 HB2 GLN A 43 6.850 -11.422 -0.029 1.00 0.00 H new ATOM 0 HB3 GLN A 43 7.994 -12.338 0.931 1.00 0.00 H new ATOM 0 HG2 GLN A 43 7.376 -14.421 -0.239 1.00 0.00 H new ATOM 0 HG3 GLN A 43 6.121 -13.584 -1.132 1.00 0.00 H new ATOM 0 HE21 GLN A 43 6.774 -13.544 -3.265 1.00 0.00 H new ATOM 0 HE22 GLN A 43 8.378 -13.047 -3.815 1.00 0.00 H new ATOM 666 N ASN A 44 5.050 -14.821 2.178 1.00 0.00 N ATOM 667 CA ASN A 44 5.116 -16.250 2.593 1.00 0.00 C ATOM 668 C ASN A 44 4.642 -17.125 1.391 1.00 0.00 C ATOM 669 O ASN A 44 3.556 -17.716 1.422 1.00 0.00 O ATOM 670 CB ASN A 44 4.280 -16.487 3.887 1.00 0.00 C ATOM 671 CG ASN A 44 4.759 -15.778 5.174 1.00 0.00 C ATOM 672 OD1 ASN A 44 5.953 -15.624 5.429 1.00 0.00 O ATOM 673 ND2 ASN A 44 3.833 -15.353 6.020 1.00 0.00 N ATOM 0 H ASN A 44 4.133 -14.535 1.836 1.00 0.00 H new ATOM 0 HA ASN A 44 6.137 -16.535 2.846 1.00 0.00 H new ATOM 0 HB2 ASN A 44 3.255 -16.174 3.690 1.00 0.00 H new ATOM 0 HB3 ASN A 44 4.254 -17.559 4.081 1.00 0.00 H new ATOM 0 HD21 ASN A 44 4.108 -14.895 6.889 1.00 0.00 H new ATOM 0 HD22 ASN A 44 2.845 -15.484 5.803 1.00 0.00 H new ATOM 680 N GLY A 45 5.459 -17.182 0.314 1.00 0.00 N ATOM 681 CA GLY A 45 5.099 -17.879 -0.944 1.00 0.00 C ATOM 682 C GLY A 45 3.934 -17.213 -1.712 1.00 0.00 C ATOM 683 O GLY A 45 4.063 -16.084 -2.197 1.00 0.00 O ATOM 0 H GLY A 45 6.382 -16.749 0.292 1.00 0.00 H new ATOM 0 HA2 GLY A 45 5.975 -17.917 -1.592 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.829 -18.909 -0.714 1.00 0.00 H new ATOM 687 N LYS A 46 2.791 -17.919 -1.763 1.00 0.00 N ATOM 688 CA LYS A 46 1.510 -17.367 -2.287 1.00 0.00 C ATOM 689 C LYS A 46 0.779 -16.348 -1.354 1.00 0.00 C ATOM 690 O LYS A 46 0.117 -15.444 -1.870 1.00 0.00 O ATOM 691 CB LYS A 46 0.531 -18.525 -2.617 1.00 0.00 C ATOM 692 CG LYS A 46 0.980 -19.510 -3.718 1.00 0.00 C ATOM 693 CD LYS A 46 -0.042 -20.627 -4.000 1.00 0.00 C ATOM 694 CE LYS A 46 -0.158 -21.694 -2.893 1.00 0.00 C ATOM 695 NZ LYS A 46 -1.132 -22.739 -3.253 1.00 0.00 N ATOM 0 H LYS A 46 2.719 -18.886 -1.446 1.00 0.00 H new ATOM 0 HA LYS A 46 1.798 -16.806 -3.176 1.00 0.00 H new ATOM 0 HB2 LYS A 46 0.352 -19.092 -1.703 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.423 -18.091 -2.915 1.00 0.00 H new ATOM 0 HG2 LYS A 46 1.162 -18.955 -4.638 1.00 0.00 H new ATOM 0 HG3 LYS A 46 1.928 -19.962 -3.425 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -1.022 -20.174 -4.152 1.00 0.00 H new ATOM 0 HD3 LYS A 46 0.229 -21.120 -4.933 1.00 0.00 H new ATOM 0 HE2 LYS A 46 0.818 -22.148 -2.720 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -0.459 -21.220 -1.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -1.187 -23.441 -2.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -2.068 -22.308 -3.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -0.830 -23.207 -4.131 1.00 0.00 H new ATOM 709 N HIS A 47 0.863 -16.501 -0.014 1.00 0.00 N ATOM 710 CA HIS A 47 0.168 -15.619 0.959 1.00 0.00 C ATOM 711 C HIS A 47 0.943 -14.285 1.143 1.00 0.00 C ATOM 712 O HIS A 47 2.154 -14.285 1.386 1.00 0.00 O ATOM 713 CB HIS A 47 -0.002 -16.336 2.328 1.00 0.00 C ATOM 714 CG HIS A 47 -1.036 -17.468 2.356 1.00 0.00 C ATOM 715 ND1 HIS A 47 -0.824 -18.746 1.869 1.00 0.00 N ATOM 716 CD2 HIS A 47 -2.327 -17.380 2.910 1.00 0.00 C ATOM 717 CE1 HIS A 47 -2.027 -19.320 2.174 1.00 0.00 C ATOM 718 NE2 HIS A 47 -3.002 -18.590 2.808 1.00 0.00 N ATOM 0 H HIS A 47 1.413 -17.238 0.427 1.00 0.00 H new ATOM 0 HA HIS A 47 -0.821 -15.393 0.562 1.00 0.00 H new ATOM 0 HB2 HIS A 47 0.964 -16.742 2.628 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -0.282 -15.593 3.075 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -2.739 -16.487 3.357 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -2.211 -20.352 1.915 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -3.939 -18.856 3.112 1.00 0.00 H new ATOM 726 N PHE A 48 0.220 -13.160 1.018 1.00 0.00 N ATOM 727 CA PHE A 48 0.813 -11.799 1.100 1.00 0.00 C ATOM 728 C PHE A 48 -0.055 -10.947 2.061 1.00 0.00 C ATOM 729 O PHE A 48 -1.146 -10.495 1.697 1.00 0.00 O ATOM 730 CB PHE A 48 0.886 -11.132 -0.299 1.00 0.00 C ATOM 731 CG PHE A 48 1.938 -11.679 -1.275 1.00 0.00 C ATOM 732 CD1 PHE A 48 3.261 -11.230 -1.205 1.00 0.00 C ATOM 733 CD2 PHE A 48 1.580 -12.607 -2.260 1.00 0.00 C ATOM 734 CE1 PHE A 48 4.209 -11.704 -2.106 1.00 0.00 C ATOM 735 CE2 PHE A 48 2.536 -13.096 -3.146 1.00 0.00 C ATOM 736 CZ PHE A 48 3.850 -12.639 -3.073 1.00 0.00 C ATOM 0 H PHE A 48 -0.787 -13.159 0.858 1.00 0.00 H new ATOM 0 HA PHE A 48 1.833 -11.871 1.477 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -0.093 -11.223 -0.770 1.00 0.00 H new ATOM 0 HB3 PHE A 48 1.075 -10.068 -0.158 1.00 0.00 H new ATOM 0 HD1 PHE A 48 3.547 -10.513 -0.449 1.00 0.00 H new ATOM 0 HD2 PHE A 48 0.557 -12.945 -2.333 1.00 0.00 H new ATOM 0 HE1 PHE A 48 5.227 -11.346 -2.055 1.00 0.00 H new ATOM 0 HE2 PHE A 48 2.259 -13.829 -3.889 1.00 0.00 H new ATOM 0 HZ PHE A 48 4.590 -13.010 -3.767 1.00 0.00 H new ATOM 746 N LYS A 49 0.471 -10.705 3.275 1.00 0.00 N ATOM 747 CA LYS A 49 -0.124 -9.751 4.247 1.00 0.00 C ATOM 748 C LYS A 49 0.597 -8.390 4.076 1.00 0.00 C ATOM 749 O LYS A 49 1.743 -8.217 4.508 1.00 0.00 O ATOM 750 CB LYS A 49 0.039 -10.319 5.675 1.00 0.00 C ATOM 751 CG LYS A 49 -0.577 -9.485 6.823 1.00 0.00 C ATOM 752 CD LYS A 49 -0.221 -9.998 8.237 1.00 0.00 C ATOM 753 CE LYS A 49 -0.737 -11.400 8.623 1.00 0.00 C ATOM 754 NZ LYS A 49 -2.210 -11.478 8.704 1.00 0.00 N ATOM 0 H LYS A 49 1.318 -11.160 3.616 1.00 0.00 H new ATOM 0 HA LYS A 49 -1.190 -9.607 4.072 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.405 -11.314 5.699 1.00 0.00 H new ATOM 0 HB3 LYS A 49 1.104 -10.441 5.875 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -0.242 -8.452 6.728 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -1.661 -9.480 6.712 1.00 0.00 H new ATOM 0 HD2 LYS A 49 0.865 -9.998 8.334 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -0.606 -9.283 8.964 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -0.381 -12.125 7.891 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -0.311 -11.684 9.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -2.493 -12.444 8.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -2.554 -10.809 9.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -2.622 -11.236 7.780 1.00 0.00 H new ATOM 768 N PHE A 50 -0.113 -7.436 3.465 1.00 0.00 N ATOM 769 CA PHE A 50 0.366 -6.035 3.325 1.00 0.00 C ATOM 770 C PHE A 50 -0.376 -5.119 4.327 1.00 0.00 C ATOM 771 O PHE A 50 -1.604 -5.002 4.294 1.00 0.00 O ATOM 772 CB PHE A 50 0.369 -5.509 1.864 1.00 0.00 C ATOM 773 CG PHE A 50 -0.963 -5.222 1.142 1.00 0.00 C ATOM 774 CD1 PHE A 50 -1.666 -6.257 0.519 1.00 0.00 C ATOM 775 CD2 PHE A 50 -1.434 -3.909 1.028 1.00 0.00 C ATOM 776 CE1 PHE A 50 -2.816 -5.981 -0.217 1.00 0.00 C ATOM 777 CE2 PHE A 50 -2.585 -3.635 0.293 1.00 0.00 C ATOM 778 CZ PHE A 50 -3.272 -4.671 -0.334 1.00 0.00 C ATOM 0 H PHE A 50 -1.031 -7.600 3.052 1.00 0.00 H new ATOM 0 HA PHE A 50 1.424 -6.020 3.588 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.948 -4.586 1.854 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.915 -6.234 1.260 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -1.316 -7.275 0.609 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.902 -3.104 1.513 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -3.355 -6.784 -0.697 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -2.944 -2.620 0.210 1.00 0.00 H new ATOM 0 HZ PHE A 50 -4.159 -4.458 -0.912 1.00 0.00 H new ATOM 788 N THR A 51 0.407 -4.480 5.211 1.00 0.00 N ATOM 789 CA THR A 51 -0.129 -3.606 6.290 1.00 0.00 C ATOM 790 C THR A 51 0.220 -2.144 5.893 1.00 0.00 C ATOM 791 O THR A 51 1.310 -1.642 6.183 1.00 0.00 O ATOM 792 CB THR A 51 0.401 -4.087 7.674 1.00 0.00 C ATOM 793 OG1 THR A 51 0.045 -5.452 7.886 1.00 0.00 O ATOM 794 CG2 THR A 51 -0.151 -3.292 8.864 1.00 0.00 C ATOM 0 H THR A 51 1.425 -4.548 5.206 1.00 0.00 H new ATOM 0 HA THR A 51 -1.212 -3.658 6.398 1.00 0.00 H new ATOM 0 HB THR A 51 1.480 -3.939 7.633 1.00 0.00 H new ATOM 0 HG1 THR A 51 0.383 -5.747 8.757 1.00 0.00 H new ATOM 0 HG21 THR A 51 0.265 -3.688 9.790 1.00 0.00 H new ATOM 0 HG22 THR A 51 0.126 -2.243 8.761 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.237 -3.380 8.888 1.00 0.00 H new ATOM 802 N ILE A 52 -0.725 -1.499 5.184 1.00 0.00 N ATOM 803 CA ILE A 52 -0.492 -0.201 4.490 1.00 0.00 C ATOM 804 C ILE A 52 -1.037 0.975 5.346 1.00 0.00 C ATOM 805 O ILE A 52 -2.233 1.047 5.641 1.00 0.00 O ATOM 806 CB ILE A 52 -1.008 -0.243 3.009 1.00 0.00 C ATOM 807 CG1 ILE A 52 -0.586 1.018 2.197 1.00 0.00 C ATOM 808 CG2 ILE A 52 -2.525 -0.533 2.841 1.00 0.00 C ATOM 809 CD1 ILE A 52 -0.518 0.819 0.673 1.00 0.00 C ATOM 0 H ILE A 52 -1.674 -1.856 5.071 1.00 0.00 H new ATOM 0 HA ILE A 52 0.579 -0.021 4.397 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.504 -1.113 2.588 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -1.290 1.822 2.412 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.392 1.348 2.549 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.779 -0.540 1.781 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.760 -1.504 3.277 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -3.102 0.241 3.347 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.216 1.752 0.197 1.00 0.00 H new ATOM 0 HD12 ILE A 52 0.209 0.041 0.440 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -1.499 0.523 0.301 1.00 0.00 H new ATOM 821 N THR A 53 -0.134 1.905 5.702 1.00 0.00 N ATOM 822 CA THR A 53 -0.475 3.105 6.512 1.00 0.00 C ATOM 823 C THR A 53 -0.874 4.246 5.533 1.00 0.00 C ATOM 824 O THR A 53 -0.007 4.892 4.934 1.00 0.00 O ATOM 825 CB THR A 53 0.696 3.483 7.470 1.00 0.00 C ATOM 826 OG1 THR A 53 1.113 2.352 8.233 1.00 0.00 O ATOM 827 CG2 THR A 53 0.335 4.591 8.477 1.00 0.00 C ATOM 0 H THR A 53 0.851 1.854 5.442 1.00 0.00 H new ATOM 0 HA THR A 53 -1.323 2.907 7.168 1.00 0.00 H new ATOM 0 HB THR A 53 1.488 3.844 6.814 1.00 0.00 H new ATOM 0 HG1 THR A 53 1.774 1.839 7.723 1.00 0.00 H new ATOM 0 HG21 THR A 53 1.197 4.802 9.110 1.00 0.00 H new ATOM 0 HG22 THR A 53 0.051 5.495 7.938 1.00 0.00 H new ATOM 0 HG23 THR A 53 -0.499 4.262 9.097 1.00 0.00 H new ATOM 835 N ALA A 54 -2.193 4.473 5.383 1.00 0.00 N ATOM 836 CA ALA A 54 -2.737 5.548 4.513 1.00 0.00 C ATOM 837 C ALA A 54 -3.027 6.810 5.369 1.00 0.00 C ATOM 838 O ALA A 54 -4.127 6.979 5.910 1.00 0.00 O ATOM 839 CB ALA A 54 -3.986 5.010 3.786 1.00 0.00 C ATOM 0 H ALA A 54 -2.912 3.924 5.855 1.00 0.00 H new ATOM 0 HA ALA A 54 -2.015 5.845 3.752 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -4.397 5.789 3.143 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -3.711 4.147 3.180 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -4.735 4.714 4.520 1.00 0.00 H new ATOM 845 N GLY A 55 -1.999 7.669 5.519 1.00 0.00 N ATOM 846 CA GLY A 55 -2.058 8.844 6.416 1.00 0.00 C ATOM 847 C GLY A 55 -1.949 8.453 7.904 1.00 0.00 C ATOM 848 O GLY A 55 -0.887 8.021 8.360 1.00 0.00 O ATOM 0 H GLY A 55 -1.111 7.571 5.027 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -1.251 9.531 6.164 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -2.994 9.377 6.251 1.00 0.00 H new ATOM 852 N SER A 56 -3.072 8.582 8.630 1.00 0.00 N ATOM 853 CA SER A 56 -3.176 8.151 10.051 1.00 0.00 C ATOM 854 C SER A 56 -3.562 6.647 10.213 1.00 0.00 C ATOM 855 O SER A 56 -2.835 5.919 10.895 1.00 0.00 O ATOM 856 CB SER A 56 -4.140 9.106 10.793 1.00 0.00 C ATOM 857 OG SER A 56 -4.162 8.825 12.188 1.00 0.00 O ATOM 0 H SER A 56 -3.933 8.984 8.260 1.00 0.00 H new ATOM 0 HA SER A 56 -2.189 8.220 10.508 1.00 0.00 H new ATOM 0 HB2 SER A 56 -3.831 10.139 10.631 1.00 0.00 H new ATOM 0 HB3 SER A 56 -5.145 9.006 10.382 1.00 0.00 H new ATOM 0 HG SER A 56 -4.777 9.442 12.636 1.00 0.00 H new ATOM 863 N LYS A 57 -4.695 6.194 9.630 1.00 0.00 N ATOM 864 CA LYS A 57 -5.271 4.849 9.904 1.00 0.00 C ATOM 865 C LYS A 57 -4.543 3.744 9.086 1.00 0.00 C ATOM 866 O LYS A 57 -4.463 3.812 7.854 1.00 0.00 O ATOM 867 CB LYS A 57 -6.804 4.909 9.630 1.00 0.00 C ATOM 868 CG LYS A 57 -7.652 3.732 10.171 1.00 0.00 C ATOM 869 CD LYS A 57 -7.786 2.523 9.223 1.00 0.00 C ATOM 870 CE LYS A 57 -8.594 1.370 9.846 1.00 0.00 C ATOM 871 NZ LYS A 57 -8.709 0.228 8.922 1.00 0.00 N ATOM 0 H LYS A 57 -5.235 6.742 8.961 1.00 0.00 H new ATOM 0 HA LYS A 57 -5.119 4.576 10.948 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -7.191 5.833 10.060 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -6.955 4.971 8.552 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -7.213 3.390 11.108 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -8.650 4.102 10.403 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -8.268 2.842 8.299 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -6.792 2.163 8.956 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -8.114 1.045 10.769 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -9.590 1.725 10.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -9.259 -0.530 9.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -9.190 0.533 8.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -7.760 -0.126 8.688 1.00 0.00 H new ATOM 885 N VAL A 58 -4.041 2.722 9.806 1.00 0.00 N ATOM 886 CA VAL A 58 -3.339 1.556 9.201 1.00 0.00 C ATOM 887 C VAL A 58 -4.351 0.422 8.838 1.00 0.00 C ATOM 888 O VAL A 58 -5.207 0.038 9.642 1.00 0.00 O ATOM 889 CB VAL A 58 -2.129 1.123 10.096 1.00 0.00 C ATOM 890 CG1 VAL A 58 -2.493 0.544 11.482 1.00 0.00 C ATOM 891 CG2 VAL A 58 -1.183 0.150 9.361 1.00 0.00 C ATOM 0 H VAL A 58 -4.107 2.674 10.823 1.00 0.00 H new ATOM 0 HA VAL A 58 -2.895 1.837 8.246 1.00 0.00 H new ATOM 0 HB VAL A 58 -1.618 2.066 10.291 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -1.581 0.278 12.016 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -3.044 1.290 12.055 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -3.111 -0.345 11.354 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -0.359 -0.123 10.020 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -1.733 -0.747 9.077 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -0.788 0.632 8.467 1.00 0.00 H new ATOM 901 N ILE A 59 -4.228 -0.080 7.598 1.00 0.00 N ATOM 902 CA ILE A 59 -5.232 -0.970 6.954 1.00 0.00 C ATOM 903 C ILE A 59 -4.482 -2.303 6.647 1.00 0.00 C ATOM 904 O ILE A 59 -3.629 -2.343 5.754 1.00 0.00 O ATOM 905 CB ILE A 59 -5.827 -0.286 5.664 1.00 0.00 C ATOM 906 CG1 ILE A 59 -6.491 1.107 5.908 1.00 0.00 C ATOM 907 CG2 ILE A 59 -6.843 -1.213 4.951 1.00 0.00 C ATOM 908 CD1 ILE A 59 -6.734 1.960 4.651 1.00 0.00 C ATOM 0 H ILE A 59 -3.424 0.117 7.002 1.00 0.00 H new ATOM 0 HA ILE A 59 -6.091 -1.166 7.596 1.00 0.00 H new ATOM 0 HB ILE A 59 -4.958 -0.112 5.029 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -7.446 0.951 6.409 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -5.861 1.674 6.593 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -7.234 -0.711 4.066 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -6.347 -2.137 4.655 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -7.664 -1.444 5.630 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -7.198 2.904 4.936 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -5.783 2.158 4.156 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -7.393 1.423 3.969 1.00 0.00 H new ATOM 920 N GLN A 60 -4.835 -3.397 7.354 1.00 0.00 N ATOM 921 CA GLN A 60 -4.265 -4.745 7.080 1.00 0.00 C ATOM 922 C GLN A 60 -5.131 -5.479 6.016 1.00 0.00 C ATOM 923 O GLN A 60 -6.350 -5.620 6.164 1.00 0.00 O ATOM 924 CB GLN A 60 -4.145 -5.551 8.400 1.00 0.00 C ATOM 925 CG GLN A 60 -3.335 -6.865 8.277 1.00 0.00 C ATOM 926 CD GLN A 60 -3.221 -7.642 9.597 1.00 0.00 C ATOM 927 OE1 GLN A 60 -4.018 -8.535 9.883 1.00 0.00 O ATOM 928 NE2 GLN A 60 -2.234 -7.328 10.422 1.00 0.00 N ATOM 0 H GLN A 60 -5.510 -3.380 8.118 1.00 0.00 H new ATOM 0 HA GLN A 60 -3.260 -4.645 6.671 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -3.677 -4.920 9.155 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -5.147 -5.788 8.759 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -3.805 -7.503 7.529 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -2.334 -6.632 7.914 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -1.579 -6.586 10.175 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -2.129 -7.828 11.305 1.00 0.00 H new ATOM 937 N ASN A 61 -4.459 -5.936 4.949 1.00 0.00 N ATOM 938 CA ASN A 61 -5.108 -6.567 3.771 1.00 0.00 C ATOM 939 C ASN A 61 -4.288 -7.836 3.420 1.00 0.00 C ATOM 940 O ASN A 61 -3.168 -7.745 2.905 1.00 0.00 O ATOM 941 CB ASN A 61 -5.156 -5.559 2.587 1.00 0.00 C ATOM 942 CG ASN A 61 -6.187 -4.417 2.701 1.00 0.00 C ATOM 943 OD1 ASN A 61 -7.206 -4.511 3.386 1.00 0.00 O ATOM 944 ND2 ASN A 61 -5.948 -3.317 2.008 1.00 0.00 N ATOM 0 H ASN A 61 -3.443 -5.882 4.871 1.00 0.00 H new ATOM 0 HA ASN A 61 -6.139 -6.848 3.985 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -4.166 -5.116 2.475 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -5.362 -6.115 1.673 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -6.609 -2.541 2.039 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -5.102 -3.244 1.442 1.00 0.00 H new ATOM 951 N GLU A 62 -4.861 -9.015 3.723 1.00 0.00 N ATOM 952 CA GLU A 62 -4.192 -10.332 3.549 1.00 0.00 C ATOM 953 C GLU A 62 -4.967 -11.201 2.521 1.00 0.00 C ATOM 954 O GLU A 62 -6.194 -11.332 2.581 1.00 0.00 O ATOM 955 CB GLU A 62 -3.934 -11.049 4.905 1.00 0.00 C ATOM 956 CG GLU A 62 -5.129 -11.506 5.778 1.00 0.00 C ATOM 957 CD GLU A 62 -5.897 -10.374 6.472 1.00 0.00 C ATOM 958 OE1 GLU A 62 -5.380 -9.808 7.461 1.00 0.00 O ATOM 959 OE2 GLU A 62 -7.018 -10.043 6.026 1.00 0.00 O ATOM 0 H GLU A 62 -5.807 -9.089 4.098 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.199 -10.161 3.134 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.329 -11.931 4.695 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.324 -10.382 5.514 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.824 -12.065 5.151 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -4.761 -12.194 6.539 1.00 0.00 H new ATOM 966 N PHE A 63 -4.210 -11.781 1.573 1.00 0.00 N ATOM 967 CA PHE A 63 -4.769 -12.509 0.400 1.00 0.00 C ATOM 968 C PHE A 63 -3.930 -13.779 0.047 1.00 0.00 C ATOM 969 O PHE A 63 -2.846 -14.013 0.591 1.00 0.00 O ATOM 970 CB PHE A 63 -4.943 -11.514 -0.793 1.00 0.00 C ATOM 971 CG PHE A 63 -3.675 -10.968 -1.478 1.00 0.00 C ATOM 972 CD1 PHE A 63 -3.094 -11.702 -2.515 1.00 0.00 C ATOM 973 CD2 PHE A 63 -3.096 -9.754 -1.088 1.00 0.00 C ATOM 974 CE1 PHE A 63 -1.938 -11.246 -3.130 1.00 0.00 C ATOM 975 CE2 PHE A 63 -1.950 -9.288 -1.734 1.00 0.00 C ATOM 976 CZ PHE A 63 -1.373 -10.039 -2.754 1.00 0.00 C ATOM 0 H PHE A 63 -3.190 -11.763 1.591 1.00 0.00 H new ATOM 0 HA PHE A 63 -5.758 -12.895 0.649 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -5.545 -12.009 -1.554 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -5.520 -10.662 -0.434 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -3.547 -12.628 -2.839 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -3.536 -9.178 -0.287 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -1.475 -11.836 -3.907 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -1.511 -8.345 -1.443 1.00 0.00 H new ATOM 0 HZ PHE A 63 -0.484 -9.680 -3.252 1.00 0.00 H new ATOM 986 N THR A 64 -4.440 -14.568 -0.917 1.00 0.00 N ATOM 987 CA THR A 64 -3.670 -15.653 -1.589 1.00 0.00 C ATOM 988 C THR A 64 -3.792 -15.423 -3.126 1.00 0.00 C ATOM 989 O THR A 64 -4.897 -15.226 -3.648 1.00 0.00 O ATOM 990 CB THR A 64 -4.207 -17.051 -1.155 1.00 0.00 C ATOM 991 OG1 THR A 64 -4.218 -17.157 0.265 1.00 0.00 O ATOM 992 CG2 THR A 64 -3.378 -18.236 -1.681 1.00 0.00 C ATOM 0 H THR A 64 -5.397 -14.478 -1.258 1.00 0.00 H new ATOM 0 HA THR A 64 -2.619 -15.629 -1.302 1.00 0.00 H new ATOM 0 HB THR A 64 -5.207 -17.111 -1.586 1.00 0.00 H new ATOM 0 HG1 THR A 64 -3.596 -17.861 0.545 1.00 0.00 H new ATOM 0 HG21 THR A 64 -3.819 -19.171 -1.334 1.00 0.00 H new ATOM 0 HG22 THR A 64 -3.372 -18.220 -2.771 1.00 0.00 H new ATOM 0 HG23 THR A 64 -2.356 -18.157 -1.311 1.00 0.00 H new ATOM 1000 N VAL A 65 -2.657 -15.490 -3.859 1.00 0.00 N ATOM 1001 CA VAL A 65 -2.643 -15.376 -5.349 1.00 0.00 C ATOM 1002 C VAL A 65 -3.309 -16.615 -6.027 1.00 0.00 C ATOM 1003 O VAL A 65 -3.055 -17.764 -5.647 1.00 0.00 O ATOM 1004 CB VAL A 65 -1.230 -15.075 -5.954 1.00 0.00 C ATOM 1005 CG1 VAL A 65 -0.748 -13.641 -5.681 1.00 0.00 C ATOM 1006 CG2 VAL A 65 -0.102 -16.048 -5.558 1.00 0.00 C ATOM 0 H VAL A 65 -1.733 -15.623 -3.448 1.00 0.00 H new ATOM 0 HA VAL A 65 -3.247 -14.498 -5.578 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.416 -15.217 -7.019 1.00 0.00 H new ATOM 0 HG11 VAL A 65 0.236 -13.497 -6.126 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -1.451 -12.932 -6.118 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -0.687 -13.476 -4.605 1.00 0.00 H new ATOM 0 HG21 VAL A 65 0.828 -15.740 -6.036 1.00 0.00 H new ATOM 0 HG22 VAL A 65 0.025 -16.037 -4.475 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -0.360 -17.056 -5.882 1.00 0.00 H new ATOM 1016 N GLY A 66 -4.203 -16.338 -6.992 1.00 0.00 N ATOM 1017 CA GLY A 66 -5.214 -17.325 -7.446 1.00 0.00 C ATOM 1018 C GLY A 66 -6.648 -16.987 -6.980 1.00 0.00 C ATOM 1019 O GLY A 66 -7.556 -16.863 -7.805 1.00 0.00 O ATOM 0 H GLY A 66 -4.251 -15.441 -7.476 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -5.196 -17.379 -8.535 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -4.941 -18.312 -7.073 1.00 0.00 H new ATOM 1023 N GLU A 67 -6.836 -16.880 -5.652 1.00 0.00 N ATOM 1024 CA GLU A 67 -8.165 -16.726 -5.009 1.00 0.00 C ATOM 1025 C GLU A 67 -8.617 -15.235 -4.946 1.00 0.00 C ATOM 1026 O GLU A 67 -7.806 -14.313 -4.801 1.00 0.00 O ATOM 1027 CB GLU A 67 -8.100 -17.348 -3.579 1.00 0.00 C ATOM 1028 CG GLU A 67 -8.139 -18.893 -3.489 1.00 0.00 C ATOM 1029 CD GLU A 67 -6.841 -19.612 -3.880 1.00 0.00 C ATOM 1030 OE1 GLU A 67 -5.940 -19.742 -3.024 1.00 0.00 O ATOM 1031 OE2 GLU A 67 -6.718 -20.051 -5.046 1.00 0.00 O ATOM 0 H GLU A 67 -6.066 -16.898 -4.984 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.909 -17.248 -5.611 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -7.184 -17.002 -3.099 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.933 -16.952 -2.998 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -8.395 -19.173 -2.467 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -8.942 -19.256 -4.130 1.00 0.00 H new ATOM 1038 N GLU A 68 -9.948 -15.033 -5.022 1.00 0.00 N ATOM 1039 CA GLU A 68 -10.583 -13.693 -4.909 1.00 0.00 C ATOM 1040 C GLU A 68 -10.770 -13.322 -3.410 1.00 0.00 C ATOM 1041 O GLU A 68 -11.495 -14.008 -2.679 1.00 0.00 O ATOM 1042 CB GLU A 68 -11.934 -13.717 -5.677 1.00 0.00 C ATOM 1043 CG GLU A 68 -12.547 -12.320 -5.913 1.00 0.00 C ATOM 1044 CD GLU A 68 -13.802 -12.364 -6.788 1.00 0.00 C ATOM 1045 OE1 GLU A 68 -14.895 -12.675 -6.265 1.00 0.00 O ATOM 1046 OE2 GLU A 68 -13.702 -12.086 -8.004 1.00 0.00 O ATOM 0 H GLU A 68 -10.617 -15.790 -5.163 1.00 0.00 H new ATOM 0 HA GLU A 68 -9.948 -12.927 -5.354 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -11.784 -14.204 -6.641 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -12.646 -14.326 -5.120 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -12.795 -11.870 -4.952 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -11.804 -11.677 -6.384 1.00 0.00 H new ATOM 1053 N CYS A 69 -10.098 -12.244 -2.974 1.00 0.00 N ATOM 1054 CA CYS A 69 -10.062 -11.828 -1.548 1.00 0.00 C ATOM 1055 C CYS A 69 -10.731 -10.443 -1.338 1.00 0.00 C ATOM 1056 O CYS A 69 -10.671 -9.550 -2.189 1.00 0.00 O ATOM 1057 CB CYS A 69 -8.594 -11.815 -1.077 1.00 0.00 C ATOM 1058 SG CYS A 69 -7.846 -13.471 -1.274 1.00 0.00 S ATOM 0 H CYS A 69 -9.564 -11.633 -3.592 1.00 0.00 H new ATOM 0 HA CYS A 69 -10.633 -12.541 -0.952 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -8.028 -11.083 -1.652 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -8.543 -11.508 -0.032 1.00 0.00 H new ATOM 0 HG CYS A 69 -7.826 -13.791 -2.534 1.00 0.00 H new ATOM 1064 N GLU A 70 -11.341 -10.280 -0.151 1.00 0.00 N ATOM 1065 CA GLU A 70 -12.028 -9.031 0.266 1.00 0.00 C ATOM 1066 C GLU A 70 -10.994 -8.032 0.857 1.00 0.00 C ATOM 1067 O GLU A 70 -10.604 -8.152 2.024 1.00 0.00 O ATOM 1068 CB GLU A 70 -13.136 -9.421 1.284 1.00 0.00 C ATOM 1069 CG GLU A 70 -14.470 -9.864 0.645 1.00 0.00 C ATOM 1070 CD GLU A 70 -15.403 -8.704 0.280 1.00 0.00 C ATOM 1071 OE1 GLU A 70 -15.146 -8.018 -0.732 1.00 0.00 O ATOM 1072 OE2 GLU A 70 -16.391 -8.467 1.008 1.00 0.00 O ATOM 0 H GLU A 70 -11.375 -11.014 0.557 1.00 0.00 H new ATOM 0 HA GLU A 70 -12.494 -8.527 -0.581 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -12.764 -10.229 1.914 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -13.326 -8.570 1.937 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -14.256 -10.441 -0.255 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -14.988 -10.530 1.335 1.00 0.00 H new ATOM 1079 N LEU A 71 -10.537 -7.076 0.024 1.00 0.00 N ATOM 1080 CA LEU A 71 -9.408 -6.165 0.370 1.00 0.00 C ATOM 1081 C LEU A 71 -9.877 -4.688 0.266 1.00 0.00 C ATOM 1082 O LEU A 71 -10.519 -4.279 -0.709 1.00 0.00 O ATOM 1083 CB LEU A 71 -8.157 -6.407 -0.526 1.00 0.00 C ATOM 1084 CG LEU A 71 -7.581 -7.850 -0.621 1.00 0.00 C ATOM 1085 CD1 LEU A 71 -6.349 -7.878 -1.549 1.00 0.00 C ATOM 1086 CD2 LEU A 71 -7.231 -8.486 0.741 1.00 0.00 C ATOM 0 H LEU A 71 -10.931 -6.908 -0.902 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.108 -6.382 1.395 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -8.405 -6.081 -1.536 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -7.361 -5.755 -0.167 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.383 -8.458 -1.039 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -5.958 -8.894 -1.605 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -6.637 -7.545 -2.546 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -5.580 -7.215 -1.153 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.837 -9.490 0.583 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.481 -7.877 1.245 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -8.128 -8.541 1.358 1.00 0.00 H new ATOM 1098 N GLU A 72 -9.534 -3.896 1.298 1.00 0.00 N ATOM 1099 CA GLU A 72 -10.041 -2.513 1.477 1.00 0.00 C ATOM 1100 C GLU A 72 -9.255 -1.499 0.594 1.00 0.00 C ATOM 1101 O GLU A 72 -8.022 -1.525 0.520 1.00 0.00 O ATOM 1102 CB GLU A 72 -9.964 -2.178 2.991 1.00 0.00 C ATOM 1103 CG GLU A 72 -10.684 -0.878 3.411 1.00 0.00 C ATOM 1104 CD GLU A 72 -10.558 -0.564 4.905 1.00 0.00 C ATOM 1105 OE1 GLU A 72 -11.090 -1.334 5.736 1.00 0.00 O ATOM 1106 OE2 GLU A 72 -9.929 0.459 5.255 1.00 0.00 O ATOM 0 H GLU A 72 -8.896 -4.193 2.036 1.00 0.00 H new ATOM 0 HA GLU A 72 -11.076 -2.438 1.145 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -10.390 -3.009 3.553 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -8.915 -2.103 3.278 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -10.277 -0.045 2.837 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -11.740 -0.957 3.152 1.00 0.00 H new ATOM 1113 N THR A 73 -10.004 -0.595 -0.057 1.00 0.00 N ATOM 1114 CA THR A 73 -9.442 0.394 -1.022 1.00 0.00 C ATOM 1115 C THR A 73 -8.864 1.662 -0.301 1.00 0.00 C ATOM 1116 O THR A 73 -9.022 1.851 0.912 1.00 0.00 O ATOM 1117 CB THR A 73 -10.515 0.748 -2.107 1.00 0.00 C ATOM 1118 OG1 THR A 73 -11.570 1.519 -1.548 1.00 0.00 O ATOM 1119 CG2 THR A 73 -11.155 -0.440 -2.847 1.00 0.00 C ATOM 0 H THR A 73 -11.014 -0.520 0.062 1.00 0.00 H new ATOM 0 HA THR A 73 -8.592 -0.061 -1.530 1.00 0.00 H new ATOM 0 HB THR A 73 -9.937 1.304 -2.846 1.00 0.00 H new ATOM 0 HG1 THR A 73 -12.168 0.934 -1.038 1.00 0.00 H new ATOM 0 HG21 THR A 73 -11.880 -0.069 -3.572 1.00 0.00 H new ATOM 0 HG22 THR A 73 -10.381 -1.006 -3.365 1.00 0.00 H new ATOM 0 HG23 THR A 73 -11.658 -1.088 -2.129 1.00 0.00 H new ATOM 1127 N MET A 74 -8.220 2.555 -1.081 1.00 0.00 N ATOM 1128 CA MET A 74 -7.806 3.915 -0.610 1.00 0.00 C ATOM 1129 C MET A 74 -8.976 4.838 -0.126 1.00 0.00 C ATOM 1130 O MET A 74 -8.829 5.485 0.915 1.00 0.00 O ATOM 1131 CB MET A 74 -6.952 4.626 -1.697 1.00 0.00 C ATOM 1132 CG MET A 74 -5.564 4.018 -1.968 1.00 0.00 C ATOM 1133 SD MET A 74 -4.524 4.168 -0.499 1.00 0.00 S ATOM 1134 CE MET A 74 -3.082 3.212 -1.006 1.00 0.00 C ATOM 0 H MET A 74 -7.968 2.366 -2.051 1.00 0.00 H new ATOM 0 HA MET A 74 -7.206 3.740 0.283 1.00 0.00 H new ATOM 0 HB2 MET A 74 -7.515 4.627 -2.630 1.00 0.00 H new ATOM 0 HB3 MET A 74 -6.820 5.667 -1.404 1.00 0.00 H new ATOM 0 HG2 MET A 74 -5.666 2.969 -2.246 1.00 0.00 H new ATOM 0 HG3 MET A 74 -5.094 4.526 -2.810 1.00 0.00 H new ATOM 0 HE1 MET A 74 -2.346 3.210 -0.202 1.00 0.00 H new ATOM 0 HE2 MET A 74 -3.383 2.188 -1.225 1.00 0.00 H new ATOM 0 HE3 MET A 74 -2.644 3.660 -1.898 1.00 0.00 H new ATOM 1144 N THR A 75 -10.137 4.856 -0.821 1.00 0.00 N ATOM 1145 CA THR A 75 -11.418 5.395 -0.261 1.00 0.00 C ATOM 1146 C THR A 75 -11.949 4.626 0.995 1.00 0.00 C ATOM 1147 O THR A 75 -12.271 5.263 2.002 1.00 0.00 O ATOM 1148 CB THR A 75 -12.545 5.490 -1.341 1.00 0.00 C ATOM 1149 OG1 THR A 75 -12.778 4.228 -1.965 1.00 0.00 O ATOM 1150 CG2 THR A 75 -12.297 6.527 -2.441 1.00 0.00 C ATOM 0 H THR A 75 -10.222 4.504 -1.775 1.00 0.00 H new ATOM 0 HA THR A 75 -11.157 6.400 0.072 1.00 0.00 H new ATOM 0 HB THR A 75 -13.419 5.816 -0.777 1.00 0.00 H new ATOM 0 HG1 THR A 75 -12.135 3.571 -1.625 1.00 0.00 H new ATOM 0 HG21 THR A 75 -13.131 6.520 -3.143 1.00 0.00 H new ATOM 0 HG22 THR A 75 -12.207 7.517 -1.994 1.00 0.00 H new ATOM 0 HG23 THR A 75 -11.376 6.283 -2.970 1.00 0.00 H new ATOM 1158 N GLY A 76 -12.070 3.289 0.908 1.00 0.00 N ATOM 1159 CA GLY A 76 -12.769 2.462 1.910 1.00 0.00 C ATOM 1160 C GLY A 76 -13.617 1.352 1.249 1.00 0.00 C ATOM 1161 O GLY A 76 -13.911 1.362 0.048 1.00 0.00 O ATOM 0 H GLY A 76 -11.683 2.748 0.135 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -12.039 2.010 2.581 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -13.413 3.096 2.520 1.00 0.00 H new ATOM 1165 N GLU A 77 -14.040 0.398 2.092 1.00 0.00 N ATOM 1166 CA GLU A 77 -14.938 -0.728 1.727 1.00 0.00 C ATOM 1167 C GLU A 77 -14.216 -1.855 0.934 1.00 0.00 C ATOM 1168 O GLU A 77 -13.380 -1.605 0.060 1.00 0.00 O ATOM 1169 CB GLU A 77 -16.294 -0.258 1.128 1.00 0.00 C ATOM 1170 CG GLU A 77 -17.467 -1.251 1.274 1.00 0.00 C ATOM 1171 CD GLU A 77 -17.659 -2.281 0.149 1.00 0.00 C ATOM 1172 OE1 GLU A 77 -17.364 -1.984 -1.031 1.00 0.00 O ATOM 1173 OE2 GLU A 77 -18.118 -3.404 0.451 1.00 0.00 O ATOM 0 H GLU A 77 -13.764 0.380 3.074 1.00 0.00 H new ATOM 0 HA GLU A 77 -15.221 -1.211 2.662 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -16.575 0.681 1.604 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -16.149 -0.047 0.068 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -17.336 -1.794 2.210 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -18.388 -0.675 1.366 1.00 0.00 H new ATOM 1180 N LYS A 78 -14.572 -3.106 1.272 1.00 0.00 N ATOM 1181 CA LYS A 78 -13.942 -4.323 0.697 1.00 0.00 C ATOM 1182 C LYS A 78 -14.704 -4.756 -0.582 1.00 0.00 C ATOM 1183 O LYS A 78 -15.890 -5.097 -0.550 1.00 0.00 O ATOM 1184 CB LYS A 78 -13.888 -5.440 1.768 1.00 0.00 C ATOM 1185 CG LYS A 78 -12.747 -5.226 2.786 1.00 0.00 C ATOM 1186 CD LYS A 78 -12.859 -6.080 4.060 1.00 0.00 C ATOM 1187 CE LYS A 78 -11.652 -5.885 4.996 1.00 0.00 C ATOM 1188 NZ LYS A 78 -11.752 -6.751 6.183 1.00 0.00 N ATOM 0 H LYS A 78 -15.305 -3.310 1.952 1.00 0.00 H new ATOM 0 HA LYS A 78 -12.915 -4.111 0.401 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -14.840 -5.479 2.297 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -13.757 -6.404 1.277 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -11.797 -5.446 2.299 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -12.724 -4.174 3.070 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -13.775 -5.820 4.591 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -12.938 -7.132 3.785 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -10.731 -6.108 4.457 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -11.595 -4.842 5.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -10.925 -6.598 6.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -12.619 -6.521 6.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -11.782 -7.747 5.885 1.00 0.00 H new ATOM 1202 N VAL A 79 -13.979 -4.691 -1.707 1.00 0.00 N ATOM 1203 CA VAL A 79 -14.579 -4.722 -3.082 1.00 0.00 C ATOM 1204 C VAL A 79 -14.539 -6.086 -3.851 1.00 0.00 C ATOM 1205 O VAL A 79 -15.224 -6.180 -4.874 1.00 0.00 O ATOM 1206 CB VAL A 79 -14.015 -3.554 -3.970 1.00 0.00 C ATOM 1207 CG1 VAL A 79 -14.467 -2.156 -3.489 1.00 0.00 C ATOM 1208 CG2 VAL A 79 -12.483 -3.580 -4.188 1.00 0.00 C ATOM 0 H VAL A 79 -12.962 -4.615 -1.708 1.00 0.00 H new ATOM 0 HA VAL A 79 -15.643 -4.577 -2.893 1.00 0.00 H new ATOM 0 HB VAL A 79 -14.464 -3.745 -4.945 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -14.045 -1.392 -4.142 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -15.555 -2.096 -3.516 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -14.120 -1.993 -2.469 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -12.190 -2.736 -4.812 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -11.977 -3.512 -3.225 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -12.201 -4.511 -4.681 1.00 0.00 H new ATOM 1218 N LYS A 80 -13.759 -7.108 -3.422 1.00 0.00 N ATOM 1219 CA LYS A 80 -13.538 -8.390 -4.153 1.00 0.00 C ATOM 1220 C LYS A 80 -12.541 -8.175 -5.327 1.00 0.00 C ATOM 1221 O LYS A 80 -12.847 -7.458 -6.287 1.00 0.00 O ATOM 1222 CB LYS A 80 -14.797 -9.181 -4.600 1.00 0.00 C ATOM 1223 CG LYS A 80 -15.754 -9.615 -3.472 1.00 0.00 C ATOM 1224 CD LYS A 80 -16.873 -10.556 -3.957 1.00 0.00 C ATOM 1225 CE LYS A 80 -17.812 -10.985 -2.816 1.00 0.00 C ATOM 1226 NZ LYS A 80 -18.852 -11.911 -3.299 1.00 0.00 N ATOM 0 H LYS A 80 -13.252 -7.068 -2.538 1.00 0.00 H new ATOM 0 HA LYS A 80 -13.106 -9.052 -3.402 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -15.355 -8.568 -5.308 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -14.471 -10.072 -5.137 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -15.182 -10.114 -2.690 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -16.202 -8.729 -3.023 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -17.453 -10.057 -4.733 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -16.428 -11.442 -4.411 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -17.233 -11.464 -2.026 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -18.281 -10.104 -2.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -19.470 -12.183 -2.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -19.418 -11.443 -4.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -18.403 -12.761 -3.695 1.00 0.00 H new ATOM 1240 N THR A 81 -11.341 -8.774 -5.218 1.00 0.00 N ATOM 1241 CA THR A 81 -10.195 -8.470 -6.119 1.00 0.00 C ATOM 1242 C THR A 81 -9.299 -9.737 -6.269 1.00 0.00 C ATOM 1243 O THR A 81 -8.901 -10.348 -5.271 1.00 0.00 O ATOM 1244 CB THR A 81 -9.444 -7.194 -5.621 1.00 0.00 C ATOM 1245 OG1 THR A 81 -8.515 -6.774 -6.608 1.00 0.00 O ATOM 1246 CG2 THR A 81 -8.691 -7.295 -4.286 1.00 0.00 C ATOM 0 H THR A 81 -11.131 -9.479 -4.511 1.00 0.00 H new ATOM 0 HA THR A 81 -10.542 -8.227 -7.123 1.00 0.00 H new ATOM 0 HB THR A 81 -10.250 -6.482 -5.445 1.00 0.00 H new ATOM 0 HG1 THR A 81 -7.722 -7.349 -6.577 1.00 0.00 H new ATOM 0 HG21 THR A 81 -8.217 -6.339 -4.062 1.00 0.00 H new ATOM 0 HG22 THR A 81 -9.393 -7.547 -3.491 1.00 0.00 H new ATOM 0 HG23 THR A 81 -7.928 -8.071 -4.356 1.00 0.00 H new ATOM 1254 N VAL A 82 -8.977 -10.113 -7.524 1.00 0.00 N ATOM 1255 CA VAL A 82 -8.147 -11.318 -7.829 1.00 0.00 C ATOM 1256 C VAL A 82 -6.706 -10.809 -8.124 1.00 0.00 C ATOM 1257 O VAL A 82 -6.486 -10.075 -9.094 1.00 0.00 O ATOM 1258 CB VAL A 82 -8.692 -12.193 -9.014 1.00 0.00 C ATOM 1259 CG1 VAL A 82 -7.911 -13.526 -9.138 1.00 0.00 C ATOM 1260 CG2 VAL A 82 -10.194 -12.541 -8.932 1.00 0.00 C ATOM 0 H VAL A 82 -9.277 -9.602 -8.354 1.00 0.00 H new ATOM 0 HA VAL A 82 -8.174 -11.987 -6.969 1.00 0.00 H new ATOM 0 HB VAL A 82 -8.546 -11.558 -9.888 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -8.313 -14.108 -9.967 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -6.857 -13.315 -9.320 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -8.012 -14.094 -8.213 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -10.475 -13.147 -9.794 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -10.389 -13.100 -8.017 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -10.781 -11.622 -8.928 1.00 0.00 H new ATOM 1270 N VAL A 83 -5.737 -11.244 -7.299 1.00 0.00 N ATOM 1271 CA VAL A 83 -4.301 -10.885 -7.471 1.00 0.00 C ATOM 1272 C VAL A 83 -3.572 -12.113 -8.101 1.00 0.00 C ATOM 1273 O VAL A 83 -3.753 -13.253 -7.661 1.00 0.00 O ATOM 1274 CB VAL A 83 -3.625 -10.428 -6.130 1.00 0.00 C ATOM 1275 CG1 VAL A 83 -2.238 -9.786 -6.390 1.00 0.00 C ATOM 1276 CG2 VAL A 83 -4.442 -9.453 -5.242 1.00 0.00 C ATOM 0 H VAL A 83 -5.916 -11.850 -6.498 1.00 0.00 H new ATOM 0 HA VAL A 83 -4.224 -10.023 -8.134 1.00 0.00 H new ATOM 0 HB VAL A 83 -3.547 -11.361 -5.572 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -1.795 -9.480 -5.442 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -1.587 -10.512 -6.877 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -2.355 -8.914 -7.034 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.870 -9.211 -4.346 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.647 -8.539 -5.799 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -5.383 -9.923 -4.956 1.00 0.00 H new ATOM 1286 N GLN A 84 -2.710 -11.859 -9.101 1.00 0.00 N ATOM 1287 CA GLN A 84 -1.733 -12.858 -9.610 1.00 0.00 C ATOM 1288 C GLN A 84 -0.280 -12.381 -9.351 1.00 0.00 C ATOM 1289 O GLN A 84 0.001 -11.182 -9.273 1.00 0.00 O ATOM 1290 CB GLN A 84 -1.937 -13.127 -11.119 1.00 0.00 C ATOM 1291 CG GLN A 84 -3.231 -13.852 -11.537 1.00 0.00 C ATOM 1292 CD GLN A 84 -3.671 -15.094 -10.736 1.00 0.00 C ATOM 1293 OE1 GLN A 84 -2.872 -15.961 -10.382 1.00 0.00 O ATOM 1294 NE2 GLN A 84 -4.958 -15.208 -10.452 1.00 0.00 N ATOM 0 H GLN A 84 -2.665 -10.961 -9.583 1.00 0.00 H new ATOM 0 HA GLN A 84 -1.904 -13.789 -9.070 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -1.902 -12.170 -11.640 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -1.091 -13.715 -11.475 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -4.044 -13.127 -11.498 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -3.121 -14.152 -12.579 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -5.612 -14.484 -10.750 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -5.296 -16.020 -9.935 1.00 0.00 H new ATOM 1303 N LEU A 85 0.650 -13.351 -9.270 1.00 0.00 N ATOM 1304 CA LEU A 85 2.101 -13.067 -9.159 1.00 0.00 C ATOM 1305 C LEU A 85 2.745 -13.398 -10.532 1.00 0.00 C ATOM 1306 O LEU A 85 2.960 -14.569 -10.864 1.00 0.00 O ATOM 1307 CB LEU A 85 2.698 -13.855 -7.959 1.00 0.00 C ATOM 1308 CG LEU A 85 4.231 -13.729 -7.755 1.00 0.00 C ATOM 1309 CD1 LEU A 85 4.704 -12.277 -7.525 1.00 0.00 C ATOM 1310 CD2 LEU A 85 4.717 -14.642 -6.614 1.00 0.00 C ATOM 0 H LEU A 85 0.424 -14.346 -9.279 1.00 0.00 H new ATOM 0 HA LEU A 85 2.308 -12.019 -8.943 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.202 -13.520 -7.048 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.454 -14.910 -8.086 1.00 0.00 H new ATOM 0 HG LEU A 85 4.683 -14.057 -8.691 1.00 0.00 H new ATOM 0 HD11 LEU A 85 5.786 -12.264 -7.390 1.00 0.00 H new ATOM 0 HD12 LEU A 85 4.439 -11.667 -8.388 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.222 -11.874 -6.634 1.00 0.00 H new ATOM 0 HD21 LEU A 85 5.795 -14.532 -6.494 1.00 0.00 H new ATOM 0 HD22 LEU A 85 4.218 -14.362 -5.686 1.00 0.00 H new ATOM 0 HD23 LEU A 85 4.482 -15.679 -6.853 1.00 0.00 H new ATOM 1322 N GLU A 86 3.054 -12.342 -11.306 1.00 0.00 N ATOM 1323 CA GLU A 86 3.726 -12.466 -12.621 1.00 0.00 C ATOM 1324 C GLU A 86 5.218 -12.072 -12.441 1.00 0.00 C ATOM 1325 O GLU A 86 5.558 -10.948 -12.059 1.00 0.00 O ATOM 1326 CB GLU A 86 3.003 -11.568 -13.660 1.00 0.00 C ATOM 1327 CG GLU A 86 3.260 -11.879 -15.153 1.00 0.00 C ATOM 1328 CD GLU A 86 4.625 -11.432 -15.690 1.00 0.00 C ATOM 1329 OE1 GLU A 86 4.852 -10.209 -15.824 1.00 0.00 O ATOM 1330 OE2 GLU A 86 5.478 -12.301 -15.977 1.00 0.00 O ATOM 0 H GLU A 86 2.847 -11.379 -11.042 1.00 0.00 H new ATOM 0 HA GLU A 86 3.680 -13.489 -12.994 1.00 0.00 H new ATOM 0 HB2 GLU A 86 1.930 -11.636 -13.479 1.00 0.00 H new ATOM 0 HB3 GLU A 86 3.293 -10.534 -13.474 1.00 0.00 H new ATOM 0 HG2 GLU A 86 3.162 -12.954 -15.305 1.00 0.00 H new ATOM 0 HG3 GLU A 86 2.480 -11.401 -15.746 1.00 0.00 H new ATOM 1337 N GLY A 87 6.089 -13.034 -12.752 1.00 0.00 N ATOM 1338 CA GLY A 87 7.558 -12.815 -12.793 1.00 0.00 C ATOM 1339 C GLY A 87 8.383 -12.733 -11.485 1.00 0.00 C ATOM 1340 O GLY A 87 9.566 -12.391 -11.559 1.00 0.00 O ATOM 0 H GLY A 87 5.809 -13.987 -12.984 1.00 0.00 H new ATOM 0 HA2 GLY A 87 7.985 -13.619 -13.392 1.00 0.00 H new ATOM 0 HA3 GLY A 87 7.729 -11.887 -13.338 1.00 0.00 H new ATOM 1344 N ASP A 88 7.771 -12.990 -10.314 1.00 0.00 N ATOM 1345 CA ASP A 88 8.361 -12.700 -8.968 1.00 0.00 C ATOM 1346 C ASP A 88 8.450 -11.186 -8.538 1.00 0.00 C ATOM 1347 O ASP A 88 8.729 -10.928 -7.363 1.00 0.00 O ATOM 1348 CB ASP A 88 9.661 -13.519 -8.689 1.00 0.00 C ATOM 1349 CG ASP A 88 10.008 -13.718 -7.206 1.00 0.00 C ATOM 1350 OD1 ASP A 88 9.363 -14.559 -6.540 1.00 0.00 O ATOM 1351 OD2 ASP A 88 10.921 -13.028 -6.700 1.00 0.00 O ATOM 0 H ASP A 88 6.843 -13.409 -10.261 1.00 0.00 H new ATOM 0 HA ASP A 88 7.601 -13.072 -8.281 1.00 0.00 H new ATOM 0 HB2 ASP A 88 9.560 -14.499 -9.156 1.00 0.00 H new ATOM 0 HB3 ASP A 88 10.497 -13.018 -9.176 1.00 0.00 H new ATOM 1356 N ASN A 89 8.205 -10.207 -9.438 1.00 0.00 N ATOM 1357 CA ASN A 89 8.226 -8.749 -9.120 1.00 0.00 C ATOM 1358 C ASN A 89 6.876 -7.982 -9.272 1.00 0.00 C ATOM 1359 O ASN A 89 6.789 -6.888 -8.713 1.00 0.00 O ATOM 1360 CB ASN A 89 9.384 -8.041 -9.881 1.00 0.00 C ATOM 1361 CG ASN A 89 9.226 -7.809 -11.404 1.00 0.00 C ATOM 1362 OD1 ASN A 89 8.920 -8.724 -12.168 1.00 0.00 O ATOM 1363 ND2 ASN A 89 9.435 -6.585 -11.870 1.00 0.00 N ATOM 0 H ASN A 89 7.985 -10.401 -10.415 1.00 0.00 H new ATOM 0 HA ASN A 89 8.408 -8.708 -8.046 1.00 0.00 H new ATOM 0 HB2 ASN A 89 9.546 -7.071 -9.412 1.00 0.00 H new ATOM 0 HB3 ASN A 89 10.291 -8.626 -9.726 1.00 0.00 H new ATOM 0 HD21 ASN A 89 9.342 -6.397 -12.868 1.00 0.00 H new ATOM 0 HD22 ASN A 89 9.688 -5.832 -11.230 1.00 0.00 H new ATOM 1370 N LYS A 90 5.860 -8.493 -10.002 1.00 0.00 N ATOM 1371 CA LYS A 90 4.582 -7.769 -10.252 1.00 0.00 C ATOM 1372 C LYS A 90 3.416 -8.495 -9.527 1.00 0.00 C ATOM 1373 O LYS A 90 3.168 -9.677 -9.786 1.00 0.00 O ATOM 1374 CB LYS A 90 4.281 -7.685 -11.773 1.00 0.00 C ATOM 1375 CG LYS A 90 5.245 -6.804 -12.597 1.00 0.00 C ATOM 1376 CD LYS A 90 4.959 -6.883 -14.112 1.00 0.00 C ATOM 1377 CE LYS A 90 5.830 -5.969 -14.995 1.00 0.00 C ATOM 1378 NZ LYS A 90 7.255 -6.355 -15.022 1.00 0.00 N ATOM 0 H LYS A 90 5.897 -9.416 -10.436 1.00 0.00 H new ATOM 0 HA LYS A 90 4.680 -6.755 -9.863 1.00 0.00 H new ATOM 0 HB2 LYS A 90 4.298 -8.694 -12.185 1.00 0.00 H new ATOM 0 HB3 LYS A 90 3.268 -7.304 -11.904 1.00 0.00 H new ATOM 0 HG2 LYS A 90 5.160 -5.769 -12.267 1.00 0.00 H new ATOM 0 HG3 LYS A 90 6.272 -7.116 -12.406 1.00 0.00 H new ATOM 0 HD2 LYS A 90 5.097 -7.914 -14.438 1.00 0.00 H new ATOM 0 HD3 LYS A 90 3.912 -6.633 -14.281 1.00 0.00 H new ATOM 0 HE2 LYS A 90 5.440 -5.982 -16.013 1.00 0.00 H new ATOM 0 HE3 LYS A 90 5.747 -4.944 -14.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 7.781 -5.699 -15.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 7.643 -6.316 -14.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 7.346 -7.322 -15.393 1.00 0.00 H new ATOM 1392 N LEU A 91 2.667 -7.766 -8.675 1.00 0.00 N ATOM 1393 CA LEU A 91 1.353 -8.238 -8.151 1.00 0.00 C ATOM 1394 C LEU A 91 0.238 -7.478 -8.925 1.00 0.00 C ATOM 1395 O LEU A 91 -0.011 -6.292 -8.685 1.00 0.00 O ATOM 1396 CB LEU A 91 1.238 -8.092 -6.607 1.00 0.00 C ATOM 1397 CG LEU A 91 2.084 -9.091 -5.766 1.00 0.00 C ATOM 1398 CD1 LEU A 91 2.246 -8.602 -4.312 1.00 0.00 C ATOM 1399 CD2 LEU A 91 1.517 -10.524 -5.778 1.00 0.00 C ATOM 0 H LEU A 91 2.943 -6.847 -8.330 1.00 0.00 H new ATOM 0 HA LEU A 91 1.245 -9.309 -8.322 1.00 0.00 H new ATOM 0 HB2 LEU A 91 1.531 -7.078 -6.334 1.00 0.00 H new ATOM 0 HB3 LEU A 91 0.191 -8.207 -6.327 1.00 0.00 H new ATOM 0 HG LEU A 91 3.063 -9.126 -6.244 1.00 0.00 H new ATOM 0 HD11 LEU A 91 2.842 -9.322 -3.750 1.00 0.00 H new ATOM 0 HD12 LEU A 91 2.747 -7.634 -4.307 1.00 0.00 H new ATOM 0 HD13 LEU A 91 1.264 -8.504 -3.849 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.152 -11.172 -5.174 1.00 0.00 H new ATOM 0 HD22 LEU A 91 0.508 -10.519 -5.367 1.00 0.00 H new ATOM 0 HD23 LEU A 91 1.490 -10.896 -6.802 1.00 0.00 H new ATOM 1411 N VAL A 92 -0.390 -8.183 -9.887 1.00 0.00 N ATOM 1412 CA VAL A 92 -1.286 -7.581 -10.914 1.00 0.00 C ATOM 1413 C VAL A 92 -2.753 -7.853 -10.466 1.00 0.00 C ATOM 1414 O VAL A 92 -3.163 -9.013 -10.350 1.00 0.00 O ATOM 1415 CB VAL A 92 -0.973 -8.166 -12.338 1.00 0.00 C ATOM 1416 CG1 VAL A 92 -1.867 -7.562 -13.448 1.00 0.00 C ATOM 1417 CG2 VAL A 92 0.504 -8.006 -12.778 1.00 0.00 C ATOM 0 H VAL A 92 -0.294 -9.194 -9.980 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.126 -6.506 -10.994 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.189 -9.228 -12.222 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -1.604 -8.005 -14.408 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -2.914 -7.771 -13.226 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -1.714 -6.484 -13.492 1.00 0.00 H new ATOM 0 HG21 VAL A 92 0.636 -8.435 -13.771 1.00 0.00 H new ATOM 0 HG22 VAL A 92 0.764 -6.948 -12.803 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.152 -8.522 -12.070 1.00 0.00 H new ATOM 1427 N THR A 93 -3.529 -6.778 -10.227 1.00 0.00 N ATOM 1428 CA THR A 93 -4.902 -6.888 -9.652 1.00 0.00 C ATOM 1429 C THR A 93 -5.844 -5.748 -10.144 1.00 0.00 C ATOM 1430 O THR A 93 -5.400 -4.653 -10.503 1.00 0.00 O ATOM 1431 CB THR A 93 -4.822 -7.006 -8.100 1.00 0.00 C ATOM 1432 OG1 THR A 93 -6.070 -7.448 -7.591 1.00 0.00 O ATOM 1433 CG2 THR A 93 -4.389 -5.752 -7.319 1.00 0.00 C ATOM 0 H THR A 93 -3.237 -5.820 -10.420 1.00 0.00 H new ATOM 0 HA THR A 93 -5.363 -7.804 -10.022 1.00 0.00 H new ATOM 0 HB THR A 93 -4.017 -7.723 -7.939 1.00 0.00 H new ATOM 0 HG1 THR A 93 -6.373 -8.229 -8.100 1.00 0.00 H new ATOM 0 HG21 THR A 93 -4.376 -5.974 -6.252 1.00 0.00 H new ATOM 0 HG22 THR A 93 -3.392 -5.451 -7.639 1.00 0.00 H new ATOM 0 HG23 THR A 93 -5.092 -4.942 -7.512 1.00 0.00 H new ATOM 1441 N THR A 94 -7.163 -6.024 -10.112 1.00 0.00 N ATOM 1442 CA THR A 94 -8.219 -5.022 -10.423 1.00 0.00 C ATOM 1443 C THR A 94 -9.143 -4.921 -9.175 1.00 0.00 C ATOM 1444 O THR A 94 -9.942 -5.827 -8.914 1.00 0.00 O ATOM 1445 CB THR A 94 -8.965 -5.384 -11.741 1.00 0.00 C ATOM 1446 OG1 THR A 94 -8.033 -5.475 -12.818 1.00 0.00 O ATOM 1447 CG2 THR A 94 -10.032 -4.356 -12.163 1.00 0.00 C ATOM 0 H THR A 94 -7.532 -6.944 -9.871 1.00 0.00 H new ATOM 0 HA THR A 94 -7.793 -4.037 -10.616 1.00 0.00 H new ATOM 0 HB THR A 94 -9.463 -6.331 -11.535 1.00 0.00 H new ATOM 0 HG1 THR A 94 -8.509 -5.705 -13.644 1.00 0.00 H new ATOM 0 HG21 THR A 94 -10.505 -4.682 -13.090 1.00 0.00 H new ATOM 0 HG22 THR A 94 -10.786 -4.272 -11.381 1.00 0.00 H new ATOM 0 HG23 THR A 94 -9.561 -3.385 -12.318 1.00 0.00 H new ATOM 1455 N PHE A 95 -9.045 -3.797 -8.432 1.00 0.00 N ATOM 1456 CA PHE A 95 -9.909 -3.516 -7.248 1.00 0.00 C ATOM 1457 C PHE A 95 -11.368 -3.184 -7.683 1.00 0.00 C ATOM 1458 O PHE A 95 -12.230 -4.069 -7.669 1.00 0.00 O ATOM 1459 CB PHE A 95 -9.248 -2.455 -6.308 1.00 0.00 C ATOM 1460 CG PHE A 95 -8.132 -2.954 -5.374 1.00 0.00 C ATOM 1461 CD1 PHE A 95 -6.807 -3.019 -5.821 1.00 0.00 C ATOM 1462 CD2 PHE A 95 -8.423 -3.284 -4.043 1.00 0.00 C ATOM 1463 CE1 PHE A 95 -5.791 -3.410 -4.952 1.00 0.00 C ATOM 1464 CE2 PHE A 95 -7.403 -3.661 -3.174 1.00 0.00 C ATOM 1465 CZ PHE A 95 -6.090 -3.732 -3.630 1.00 0.00 C ATOM 0 H PHE A 95 -8.370 -3.058 -8.629 1.00 0.00 H new ATOM 0 HA PHE A 95 -9.993 -4.419 -6.643 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -8.840 -1.658 -6.930 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -10.031 -2.011 -5.694 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -6.572 -2.765 -6.844 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -9.443 -3.246 -3.690 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -4.771 -3.464 -5.303 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -7.631 -3.899 -2.145 1.00 0.00 H new ATOM 0 HZ PHE A 95 -5.302 -4.037 -2.958 1.00 0.00 H new ATOM 1475 N LYS A 96 -11.616 -1.930 -8.083 1.00 0.00 N ATOM 1476 CA LYS A 96 -12.891 -1.498 -8.712 1.00 0.00 C ATOM 1477 C LYS A 96 -12.475 -0.530 -9.852 1.00 0.00 C ATOM 1478 O LYS A 96 -12.341 0.680 -9.647 1.00 0.00 O ATOM 1479 CB LYS A 96 -13.841 -0.898 -7.634 1.00 0.00 C ATOM 1480 CG LYS A 96 -15.316 -0.689 -8.046 1.00 0.00 C ATOM 1481 CD LYS A 96 -15.600 0.555 -8.920 1.00 0.00 C ATOM 1482 CE LYS A 96 -17.093 0.833 -9.183 1.00 0.00 C ATOM 1483 NZ LYS A 96 -17.717 -0.147 -10.093 1.00 0.00 N ATOM 0 H LYS A 96 -10.939 -1.174 -7.983 1.00 0.00 H new ATOM 0 HA LYS A 96 -13.475 -2.311 -9.144 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -13.821 -1.551 -6.762 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -13.436 0.064 -7.321 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -15.652 -1.574 -8.587 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -15.920 -0.620 -7.141 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -15.162 1.429 -8.437 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -15.094 0.432 -9.877 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -17.629 0.830 -8.234 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -17.201 1.832 -9.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -18.719 0.095 -10.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -17.228 -0.128 -11.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -17.644 -1.099 -9.681 1.00 0.00 H new ATOM 1497 N ASN A 97 -12.210 -1.102 -11.047 1.00 0.00 N ATOM 1498 CA ASN A 97 -11.593 -0.398 -12.206 1.00 0.00 C ATOM 1499 C ASN A 97 -10.235 0.341 -11.930 1.00 0.00 C ATOM 1500 O ASN A 97 -10.020 1.460 -12.407 1.00 0.00 O ATOM 1501 CB ASN A 97 -12.653 0.450 -12.963 1.00 0.00 C ATOM 1502 CG ASN A 97 -13.899 -0.289 -13.498 1.00 0.00 C ATOM 1503 OD1 ASN A 97 -13.800 -1.193 -14.328 1.00 0.00 O ATOM 1504 ND2 ASN A 97 -15.087 0.077 -13.042 1.00 0.00 N ATOM 0 H ASN A 97 -12.420 -2.081 -11.242 1.00 0.00 H new ATOM 0 HA ASN A 97 -11.258 -1.185 -12.882 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -12.991 1.242 -12.295 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -12.159 0.933 -13.806 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -15.929 -0.391 -13.378 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -15.160 0.827 -12.354 1.00 0.00 H new ATOM 1511 N ILE A 98 -9.314 -0.306 -11.183 1.00 0.00 N ATOM 1512 CA ILE A 98 -7.982 0.260 -10.827 1.00 0.00 C ATOM 1513 C ILE A 98 -6.965 -0.807 -11.313 1.00 0.00 C ATOM 1514 O ILE A 98 -6.800 -1.843 -10.660 1.00 0.00 O ATOM 1515 CB ILE A 98 -7.842 0.566 -9.287 1.00 0.00 C ATOM 1516 CG1 ILE A 98 -8.940 1.481 -8.666 1.00 0.00 C ATOM 1517 CG2 ILE A 98 -6.439 1.106 -8.910 1.00 0.00 C ATOM 1518 CD1 ILE A 98 -9.066 2.907 -9.225 1.00 0.00 C ATOM 0 H ILE A 98 -9.469 -1.241 -10.805 1.00 0.00 H new ATOM 0 HA ILE A 98 -7.816 1.229 -11.298 1.00 0.00 H new ATOM 0 HB ILE A 98 -7.990 -0.418 -8.842 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -9.902 0.984 -8.788 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -8.753 1.554 -7.595 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -6.400 1.299 -7.838 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -5.682 0.367 -9.174 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -6.247 2.032 -9.453 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -9.867 3.432 -8.705 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -8.127 3.440 -9.078 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -9.294 2.862 -10.290 1.00 0.00 H new ATOM 1530 N LYS A 99 -6.263 -0.538 -12.431 1.00 0.00 N ATOM 1531 CA LYS A 99 -5.235 -1.473 -12.976 1.00 0.00 C ATOM 1532 C LYS A 99 -3.907 -1.311 -12.182 1.00 0.00 C ATOM 1533 O LYS A 99 -3.088 -0.432 -12.465 1.00 0.00 O ATOM 1534 CB LYS A 99 -5.046 -1.231 -14.495 1.00 0.00 C ATOM 1535 CG LYS A 99 -6.170 -1.794 -15.389 1.00 0.00 C ATOM 1536 CD LYS A 99 -5.956 -1.443 -16.876 1.00 0.00 C ATOM 1537 CE LYS A 99 -7.033 -2.042 -17.798 1.00 0.00 C ATOM 1538 NZ LYS A 99 -6.803 -1.663 -19.203 1.00 0.00 N ATOM 0 H LYS A 99 -6.382 0.314 -12.979 1.00 0.00 H new ATOM 0 HA LYS A 99 -5.568 -2.504 -12.854 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -4.966 -0.158 -14.670 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -4.100 -1.675 -14.804 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -6.216 -2.877 -15.275 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -7.130 -1.398 -15.057 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -5.950 -0.359 -16.990 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -4.976 -1.802 -17.191 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -7.030 -3.128 -17.707 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -8.018 -1.698 -17.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -7.544 -2.081 -19.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -6.829 -0.627 -19.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -5.873 -2.013 -19.509 1.00 0.00 H new ATOM 1552 N SER A 100 -3.748 -2.169 -11.160 1.00 0.00 N ATOM 1553 CA SER A 100 -2.724 -2.008 -10.099 1.00 0.00 C ATOM 1554 C SER A 100 -1.591 -3.041 -10.314 1.00 0.00 C ATOM 1555 O SER A 100 -1.690 -4.195 -9.884 1.00 0.00 O ATOM 1556 CB SER A 100 -3.443 -2.164 -8.737 1.00 0.00 C ATOM 1557 OG SER A 100 -2.542 -2.000 -7.649 1.00 0.00 O ATOM 0 H SER A 100 -4.327 -3.000 -11.041 1.00 0.00 H new ATOM 0 HA SER A 100 -2.250 -1.027 -10.128 1.00 0.00 H new ATOM 0 HB2 SER A 100 -4.244 -1.429 -8.661 1.00 0.00 H new ATOM 0 HB3 SER A 100 -3.908 -3.148 -8.681 1.00 0.00 H new ATOM 0 HG SER A 100 -3.027 -2.103 -6.804 1.00 0.00 H new ATOM 1563 N VAL A 101 -0.516 -2.594 -10.984 1.00 0.00 N ATOM 1564 CA VAL A 101 0.685 -3.429 -11.265 1.00 0.00 C ATOM 1565 C VAL A 101 1.751 -2.991 -10.221 1.00 0.00 C ATOM 1566 O VAL A 101 2.311 -1.894 -10.326 1.00 0.00 O ATOM 1567 CB VAL A 101 1.150 -3.245 -12.752 1.00 0.00 C ATOM 1568 CG1 VAL A 101 2.480 -3.969 -13.070 1.00 0.00 C ATOM 1569 CG2 VAL A 101 0.096 -3.715 -13.784 1.00 0.00 C ATOM 0 H VAL A 101 -0.446 -1.645 -11.350 1.00 0.00 H new ATOM 0 HA VAL A 101 0.490 -4.497 -11.167 1.00 0.00 H new ATOM 0 HB VAL A 101 1.293 -2.168 -12.844 1.00 0.00 H new ATOM 0 HG11 VAL A 101 2.745 -3.802 -14.114 1.00 0.00 H new ATOM 0 HG12 VAL A 101 3.270 -3.578 -12.428 1.00 0.00 H new ATOM 0 HG13 VAL A 101 2.364 -5.038 -12.892 1.00 0.00 H new ATOM 0 HG21 VAL A 101 0.480 -3.560 -14.792 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -0.113 -4.774 -13.634 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -0.822 -3.142 -13.653 1.00 0.00 H new ATOM 1579 N THR A 102 2.025 -3.854 -9.226 1.00 0.00 N ATOM 1580 CA THR A 102 2.923 -3.512 -8.087 1.00 0.00 C ATOM 1581 C THR A 102 4.364 -3.997 -8.429 1.00 0.00 C ATOM 1582 O THR A 102 4.752 -5.112 -8.068 1.00 0.00 O ATOM 1583 CB THR A 102 2.347 -4.122 -6.771 1.00 0.00 C ATOM 1584 OG1 THR A 102 0.967 -3.797 -6.605 1.00 0.00 O ATOM 1585 CG2 THR A 102 3.074 -3.663 -5.499 1.00 0.00 C ATOM 0 H THR A 102 1.641 -4.798 -9.180 1.00 0.00 H new ATOM 0 HA THR A 102 2.977 -2.436 -7.925 1.00 0.00 H new ATOM 0 HB THR A 102 2.492 -5.196 -6.890 1.00 0.00 H new ATOM 0 HG1 THR A 102 0.635 -4.194 -5.773 1.00 0.00 H new ATOM 0 HG21 THR A 102 2.614 -4.131 -4.628 1.00 0.00 H new ATOM 0 HG22 THR A 102 4.123 -3.953 -5.555 1.00 0.00 H new ATOM 0 HG23 THR A 102 3.001 -2.579 -5.409 1.00 0.00 H new ATOM 1593 N GLU A 103 5.134 -3.161 -9.152 1.00 0.00 N ATOM 1594 CA GLU A 103 6.397 -3.580 -9.814 1.00 0.00 C ATOM 1595 C GLU A 103 7.599 -3.267 -8.891 1.00 0.00 C ATOM 1596 O GLU A 103 7.772 -2.135 -8.435 1.00 0.00 O ATOM 1597 CB GLU A 103 6.533 -2.828 -11.162 1.00 0.00 C ATOM 1598 CG GLU A 103 7.568 -3.423 -12.140 1.00 0.00 C ATOM 1599 CD GLU A 103 7.742 -2.566 -13.398 1.00 0.00 C ATOM 1600 OE1 GLU A 103 6.867 -2.612 -14.289 1.00 0.00 O ATOM 1601 OE2 GLU A 103 8.755 -1.838 -13.499 1.00 0.00 O ATOM 0 H GLU A 103 4.904 -2.178 -9.297 1.00 0.00 H new ATOM 0 HA GLU A 103 6.381 -4.653 -10.004 1.00 0.00 H new ATOM 0 HB2 GLU A 103 5.559 -2.813 -11.652 1.00 0.00 H new ATOM 0 HB3 GLU A 103 6.803 -1.792 -10.957 1.00 0.00 H new ATOM 0 HG2 GLU A 103 8.528 -3.520 -11.634 1.00 0.00 H new ATOM 0 HG3 GLU A 103 7.257 -4.427 -12.428 1.00 0.00 H new ATOM 1608 N LEU A 104 8.431 -4.283 -8.649 1.00 0.00 N ATOM 1609 CA LEU A 104 9.547 -4.206 -7.671 1.00 0.00 C ATOM 1610 C LEU A 104 10.887 -4.276 -8.451 1.00 0.00 C ATOM 1611 O LEU A 104 11.240 -5.314 -9.020 1.00 0.00 O ATOM 1612 CB LEU A 104 9.363 -5.332 -6.612 1.00 0.00 C ATOM 1613 CG LEU A 104 10.017 -5.087 -5.226 1.00 0.00 C ATOM 1614 CD1 LEU A 104 9.712 -6.269 -4.297 1.00 0.00 C ATOM 1615 CD2 LEU A 104 11.530 -4.806 -5.242 1.00 0.00 C ATOM 0 H LEU A 104 8.360 -5.186 -9.119 1.00 0.00 H new ATOM 0 HA LEU A 104 9.554 -3.265 -7.120 1.00 0.00 H new ATOM 0 HB2 LEU A 104 8.295 -5.490 -6.463 1.00 0.00 H new ATOM 0 HB3 LEU A 104 9.768 -6.257 -7.022 1.00 0.00 H new ATOM 0 HG LEU A 104 9.568 -4.165 -4.858 1.00 0.00 H new ATOM 0 HD11 LEU A 104 10.172 -6.095 -3.324 1.00 0.00 H new ATOM 0 HD12 LEU A 104 8.633 -6.368 -4.176 1.00 0.00 H new ATOM 0 HD13 LEU A 104 10.114 -7.185 -4.730 1.00 0.00 H new ATOM 0 HD21 LEU A 104 11.882 -4.650 -4.222 1.00 0.00 H new ATOM 0 HD22 LEU A 104 12.053 -5.656 -5.680 1.00 0.00 H new ATOM 0 HD23 LEU A 104 11.728 -3.913 -5.835 1.00 0.00 H new ATOM 1627 N ASN A 105 11.627 -3.152 -8.471 1.00 0.00 N ATOM 1628 CA ASN A 105 12.829 -2.989 -9.333 1.00 0.00 C ATOM 1629 C ASN A 105 14.109 -3.252 -8.486 1.00 0.00 C ATOM 1630 O ASN A 105 14.419 -4.422 -8.237 1.00 0.00 O ATOM 1631 CB ASN A 105 12.736 -1.648 -10.124 1.00 0.00 C ATOM 1632 CG ASN A 105 11.632 -1.580 -11.206 1.00 0.00 C ATOM 1633 OD1 ASN A 105 11.869 -1.860 -12.379 1.00 0.00 O ATOM 1634 ND2 ASN A 105 10.411 -1.215 -10.836 1.00 0.00 N ATOM 0 H ASN A 105 11.418 -2.334 -7.899 1.00 0.00 H new ATOM 0 HA ASN A 105 12.887 -3.736 -10.125 1.00 0.00 H new ATOM 0 HB2 ASN A 105 12.571 -0.839 -9.412 1.00 0.00 H new ATOM 0 HB3 ASN A 105 13.698 -1.462 -10.601 1.00 0.00 H new ATOM 0 HD21 ASN A 105 9.662 -1.165 -11.527 1.00 0.00 H new ATOM 0 HD22 ASN A 105 10.221 -0.984 -9.861 1.00 0.00 H new ATOM 1641 N GLY A 106 14.841 -2.211 -8.041 1.00 0.00 N ATOM 1642 CA GLY A 106 16.103 -2.378 -7.278 1.00 0.00 C ATOM 1643 C GLY A 106 15.859 -2.517 -5.763 1.00 0.00 C ATOM 1644 O GLY A 106 15.295 -3.524 -5.324 1.00 0.00 O ATOM 0 H GLY A 106 14.581 -1.237 -8.196 1.00 0.00 H new ATOM 0 HA2 GLY A 106 16.630 -3.261 -7.641 1.00 0.00 H new ATOM 0 HA3 GLY A 106 16.752 -1.522 -7.462 1.00 0.00 H new ATOM 1648 N ASP A 107 16.256 -1.493 -4.985 1.00 0.00 N ATOM 1649 CA ASP A 107 15.822 -1.356 -3.561 1.00 0.00 C ATOM 1650 C ASP A 107 14.678 -0.301 -3.447 1.00 0.00 C ATOM 1651 O ASP A 107 14.802 0.714 -2.757 1.00 0.00 O ATOM 1652 CB ASP A 107 17.040 -1.041 -2.646 1.00 0.00 C ATOM 1653 CG ASP A 107 18.025 -2.202 -2.455 1.00 0.00 C ATOM 1654 OD1 ASP A 107 17.714 -3.140 -1.689 1.00 0.00 O ATOM 1655 OD2 ASP A 107 19.113 -2.179 -3.072 1.00 0.00 O ATOM 0 H ASP A 107 16.873 -0.747 -5.306 1.00 0.00 H new ATOM 0 HA ASP A 107 15.413 -2.303 -3.210 1.00 0.00 H new ATOM 0 HB2 ASP A 107 17.580 -0.192 -3.065 1.00 0.00 H new ATOM 0 HB3 ASP A 107 16.670 -0.733 -1.668 1.00 0.00 H new ATOM 1660 N ILE A 108 13.546 -0.578 -4.121 1.00 0.00 N ATOM 1661 CA ILE A 108 12.347 0.301 -4.156 1.00 0.00 C ATOM 1662 C ILE A 108 11.064 -0.593 -4.304 1.00 0.00 C ATOM 1663 O ILE A 108 11.125 -1.826 -4.372 1.00 0.00 O ATOM 1664 CB ILE A 108 12.451 1.412 -5.271 1.00 0.00 C ATOM 1665 CG1 ILE A 108 12.599 0.859 -6.716 1.00 0.00 C ATOM 1666 CG2 ILE A 108 13.474 2.534 -4.984 1.00 0.00 C ATOM 1667 CD1 ILE A 108 12.105 1.843 -7.778 1.00 0.00 C ATOM 0 H ILE A 108 13.430 -1.431 -4.668 1.00 0.00 H new ATOM 0 HA ILE A 108 12.280 0.851 -3.218 1.00 0.00 H new ATOM 0 HB ILE A 108 11.471 1.886 -5.218 1.00 0.00 H new ATOM 0 HG12 ILE A 108 13.646 0.623 -6.905 1.00 0.00 H new ATOM 0 HG13 ILE A 108 12.041 -0.073 -6.803 1.00 0.00 H new ATOM 0 HG21 ILE A 108 13.471 3.248 -5.808 1.00 0.00 H new ATOM 0 HG22 ILE A 108 13.204 3.045 -4.060 1.00 0.00 H new ATOM 0 HG23 ILE A 108 14.469 2.102 -4.882 1.00 0.00 H new ATOM 0 HD11 ILE A 108 12.232 1.404 -8.768 1.00 0.00 H new ATOM 0 HD12 ILE A 108 11.050 2.060 -7.610 1.00 0.00 H new ATOM 0 HD13 ILE A 108 12.680 2.767 -7.714 1.00 0.00 H new ATOM 1679 N ILE A 109 9.885 0.045 -4.420 1.00 0.00 N ATOM 1680 CA ILE A 109 8.702 -0.571 -5.074 1.00 0.00 C ATOM 1681 C ILE A 109 7.869 0.563 -5.741 1.00 0.00 C ATOM 1682 O ILE A 109 7.476 1.534 -5.087 1.00 0.00 O ATOM 1683 CB ILE A 109 7.902 -1.532 -4.123 1.00 0.00 C ATOM 1684 CG1 ILE A 109 7.018 -2.522 -4.925 1.00 0.00 C ATOM 1685 CG2 ILE A 109 7.097 -0.830 -2.998 1.00 0.00 C ATOM 1686 CD1 ILE A 109 6.569 -3.753 -4.130 1.00 0.00 C ATOM 0 H ILE A 109 9.720 0.989 -4.070 1.00 0.00 H new ATOM 0 HA ILE A 109 9.019 -1.251 -5.864 1.00 0.00 H new ATOM 0 HB ILE A 109 8.671 -2.097 -3.596 1.00 0.00 H new ATOM 0 HG12 ILE A 109 6.135 -1.994 -5.284 1.00 0.00 H new ATOM 0 HG13 ILE A 109 7.570 -2.853 -5.804 1.00 0.00 H new ATOM 0 HG21 ILE A 109 6.581 -1.579 -2.398 1.00 0.00 H new ATOM 0 HG22 ILE A 109 7.778 -0.263 -2.363 1.00 0.00 H new ATOM 0 HG23 ILE A 109 6.366 -0.154 -3.441 1.00 0.00 H new ATOM 0 HD11 ILE A 109 5.956 -4.392 -4.765 1.00 0.00 H new ATOM 0 HD12 ILE A 109 7.445 -4.308 -3.794 1.00 0.00 H new ATOM 0 HD13 ILE A 109 5.987 -3.435 -3.265 1.00 0.00 H new ATOM 1698 N THR A 110 7.609 0.409 -7.050 1.00 0.00 N ATOM 1699 CA THR A 110 6.851 1.399 -7.860 1.00 0.00 C ATOM 1700 C THR A 110 5.495 0.743 -8.228 1.00 0.00 C ATOM 1701 O THR A 110 5.445 -0.146 -9.083 1.00 0.00 O ATOM 1702 CB THR A 110 7.679 1.830 -9.104 1.00 0.00 C ATOM 1703 OG1 THR A 110 8.905 2.419 -8.687 1.00 0.00 O ATOM 1704 CG2 THR A 110 6.981 2.861 -10.004 1.00 0.00 C ATOM 0 H THR A 110 7.916 -0.404 -7.584 1.00 0.00 H new ATOM 0 HA THR A 110 6.661 2.317 -7.303 1.00 0.00 H new ATOM 0 HB THR A 110 7.821 0.915 -9.679 1.00 0.00 H new ATOM 0 HG1 THR A 110 9.424 2.687 -9.474 1.00 0.00 H new ATOM 0 HG21 THR A 110 7.628 3.105 -10.847 1.00 0.00 H new ATOM 0 HG22 THR A 110 6.044 2.445 -10.374 1.00 0.00 H new ATOM 0 HG23 THR A 110 6.775 3.765 -9.430 1.00 0.00 H new ATOM 1712 N ASN A 111 4.405 1.204 -7.587 1.00 0.00 N ATOM 1713 CA ASN A 111 3.041 0.674 -7.841 1.00 0.00 C ATOM 1714 C ASN A 111 2.327 1.629 -8.830 1.00 0.00 C ATOM 1715 O ASN A 111 1.997 2.770 -8.489 1.00 0.00 O ATOM 1716 CB ASN A 111 2.276 0.463 -6.500 1.00 0.00 C ATOM 1717 CG ASN A 111 1.030 -0.456 -6.463 1.00 0.00 C ATOM 1718 OD1 ASN A 111 0.680 -0.970 -5.401 1.00 0.00 O ATOM 1719 ND2 ASN A 111 0.318 -0.692 -7.557 1.00 0.00 N ATOM 0 H ASN A 111 4.437 1.945 -6.886 1.00 0.00 H new ATOM 0 HA ASN A 111 3.080 -0.312 -8.304 1.00 0.00 H new ATOM 0 HB2 ASN A 111 2.991 0.072 -5.776 1.00 0.00 H new ATOM 0 HB3 ASN A 111 1.966 1.446 -6.144 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -0.506 -1.292 -7.510 1.00 0.00 H new ATOM 0 HD22 ASN A 111 0.594 -0.274 -8.445 1.00 0.00 H new ATOM 1726 N THR A 112 2.109 1.137 -10.062 1.00 0.00 N ATOM 1727 CA THR A 112 1.515 1.940 -11.162 1.00 0.00 C ATOM 1728 C THR A 112 -0.009 1.621 -11.209 1.00 0.00 C ATOM 1729 O THR A 112 -0.426 0.589 -11.743 1.00 0.00 O ATOM 1730 CB THR A 112 2.280 1.669 -12.490 1.00 0.00 C ATOM 1731 OG1 THR A 112 3.680 1.884 -12.312 1.00 0.00 O ATOM 1732 CG2 THR A 112 1.843 2.571 -13.657 1.00 0.00 C ATOM 0 H THR A 112 2.335 0.179 -10.329 1.00 0.00 H new ATOM 0 HA THR A 112 1.617 3.012 -10.995 1.00 0.00 H new ATOM 0 HB THR A 112 2.047 0.634 -12.739 1.00 0.00 H new ATOM 0 HG1 THR A 112 4.148 1.708 -13.155 1.00 0.00 H new ATOM 0 HG21 THR A 112 2.422 2.321 -14.546 1.00 0.00 H new ATOM 0 HG22 THR A 112 0.783 2.417 -13.859 1.00 0.00 H new ATOM 0 HG23 THR A 112 2.014 3.615 -13.394 1.00 0.00 H new ATOM 1740 N MET A 113 -0.812 2.523 -10.617 1.00 0.00 N ATOM 1741 CA MET A 113 -2.286 2.359 -10.486 1.00 0.00 C ATOM 1742 C MET A 113 -2.974 3.282 -11.527 1.00 0.00 C ATOM 1743 O MET A 113 -3.149 4.482 -11.294 1.00 0.00 O ATOM 1744 CB MET A 113 -2.762 2.686 -9.045 1.00 0.00 C ATOM 1745 CG MET A 113 -2.275 1.748 -7.933 1.00 0.00 C ATOM 1746 SD MET A 113 -3.009 2.272 -6.368 1.00 0.00 S ATOM 1747 CE MET A 113 -2.273 1.084 -5.230 1.00 0.00 C ATOM 0 H MET A 113 -0.464 3.392 -10.212 1.00 0.00 H new ATOM 0 HA MET A 113 -2.558 1.321 -10.678 1.00 0.00 H new ATOM 0 HB2 MET A 113 -2.441 3.699 -8.802 1.00 0.00 H new ATOM 0 HB3 MET A 113 -3.852 2.686 -9.038 1.00 0.00 H new ATOM 0 HG2 MET A 113 -2.557 0.719 -8.157 1.00 0.00 H new ATOM 0 HG3 MET A 113 -1.187 1.773 -7.867 1.00 0.00 H new ATOM 0 HE1 MET A 113 -2.631 1.279 -4.219 1.00 0.00 H new ATOM 0 HE2 MET A 113 -2.555 0.074 -5.526 1.00 0.00 H new ATOM 0 HE3 MET A 113 -1.188 1.180 -5.255 1.00 0.00 H new ATOM 1757 N THR A 114 -3.348 2.708 -12.686 1.00 0.00 N ATOM 1758 CA THR A 114 -3.908 3.488 -13.824 1.00 0.00 C ATOM 1759 C THR A 114 -5.461 3.428 -13.778 1.00 0.00 C ATOM 1760 O THR A 114 -6.055 2.365 -13.988 1.00 0.00 O ATOM 1761 CB THR A 114 -3.345 3.049 -15.212 1.00 0.00 C ATOM 1762 OG1 THR A 114 -3.651 1.694 -15.506 1.00 0.00 O ATOM 1763 CG2 THR A 114 -1.829 3.221 -15.380 1.00 0.00 C ATOM 0 H THR A 114 -3.275 1.707 -12.866 1.00 0.00 H new ATOM 0 HA THR A 114 -3.587 4.523 -13.707 1.00 0.00 H new ATOM 0 HB THR A 114 -3.843 3.728 -15.905 1.00 0.00 H new ATOM 0 HG1 THR A 114 -3.283 1.458 -16.383 1.00 0.00 H new ATOM 0 HG21 THR A 114 -1.533 2.889 -16.375 1.00 0.00 H new ATOM 0 HG22 THR A 114 -1.566 4.271 -15.254 1.00 0.00 H new ATOM 0 HG23 THR A 114 -1.310 2.625 -14.630 1.00 0.00 H new ATOM 1771 N LEU A 115 -6.101 4.587 -13.526 1.00 0.00 N ATOM 1772 CA LEU A 115 -7.577 4.746 -13.660 1.00 0.00 C ATOM 1773 C LEU A 115 -7.850 5.511 -14.990 1.00 0.00 C ATOM 1774 O LEU A 115 -8.022 6.735 -14.991 1.00 0.00 O ATOM 1775 CB LEU A 115 -8.124 5.424 -12.366 1.00 0.00 C ATOM 1776 CG LEU A 115 -9.623 5.851 -12.325 1.00 0.00 C ATOM 1777 CD1 LEU A 115 -10.624 4.698 -12.549 1.00 0.00 C ATOM 1778 CD2 LEU A 115 -9.938 6.566 -10.997 1.00 0.00 C ATOM 0 H LEU A 115 -5.622 5.436 -13.226 1.00 0.00 H new ATOM 0 HA LEU A 115 -8.113 3.800 -13.736 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -7.952 4.740 -11.535 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -7.521 6.312 -12.177 1.00 0.00 H new ATOM 0 HG LEU A 115 -9.755 6.530 -13.167 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -11.642 5.086 -12.504 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -10.449 4.249 -13.527 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -10.489 3.943 -11.774 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -10.988 6.859 -10.982 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -9.737 5.892 -10.164 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -9.312 7.454 -10.904 1.00 0.00 H new ATOM 1790 N GLY A 116 -7.872 4.773 -16.119 1.00 0.00 N ATOM 1791 CA GLY A 116 -8.160 5.343 -17.457 1.00 0.00 C ATOM 1792 C GLY A 116 -7.041 6.244 -18.026 1.00 0.00 C ATOM 1793 O GLY A 116 -6.005 5.751 -18.479 1.00 0.00 O ATOM 0 H GLY A 116 -7.692 3.769 -16.132 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -8.340 4.525 -18.155 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -9.081 5.922 -17.400 1.00 0.00 H new ATOM 1797 N ASP A 117 -7.277 7.566 -17.968 1.00 0.00 N ATOM 1798 CA ASP A 117 -6.247 8.600 -18.298 1.00 0.00 C ATOM 1799 C ASP A 117 -5.251 8.926 -17.135 1.00 0.00 C ATOM 1800 O ASP A 117 -4.118 9.330 -17.414 1.00 0.00 O ATOM 1801 CB ASP A 117 -6.933 9.910 -18.779 1.00 0.00 C ATOM 1802 CG ASP A 117 -7.661 9.814 -20.130 1.00 0.00 C ATOM 1803 OD1 ASP A 117 -7.010 9.993 -21.184 1.00 0.00 O ATOM 1804 OD2 ASP A 117 -8.886 9.561 -20.139 1.00 0.00 O ATOM 0 H ASP A 117 -8.177 7.959 -17.694 1.00 0.00 H new ATOM 0 HA ASP A 117 -5.646 8.162 -19.095 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -7.650 10.225 -18.021 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -6.177 10.692 -18.847 1.00 0.00 H new ATOM 1809 N ILE A 118 -5.653 8.748 -15.855 1.00 0.00 N ATOM 1810 CA ILE A 118 -4.783 8.913 -14.658 1.00 0.00 C ATOM 1811 C ILE A 118 -3.659 7.824 -14.673 1.00 0.00 C ATOM 1812 O ILE A 118 -3.930 6.649 -14.942 1.00 0.00 O ATOM 1813 CB ILE A 118 -5.665 8.813 -13.356 1.00 0.00 C ATOM 1814 CG1 ILE A 118 -6.916 9.748 -13.277 1.00 0.00 C ATOM 1815 CG2 ILE A 118 -4.846 8.941 -12.044 1.00 0.00 C ATOM 1816 CD1 ILE A 118 -6.657 11.260 -13.201 1.00 0.00 C ATOM 0 H ILE A 118 -6.608 8.481 -15.617 1.00 0.00 H new ATOM 0 HA ILE A 118 -4.304 9.892 -14.672 1.00 0.00 H new ATOM 0 HB ILE A 118 -6.056 7.800 -13.451 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -7.538 9.555 -14.151 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -7.498 9.460 -12.402 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -5.516 8.863 -11.188 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -4.105 8.143 -11.998 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -4.341 9.907 -12.023 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -7.608 11.790 -13.151 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -6.069 11.484 -12.311 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -6.110 11.580 -14.087 1.00 0.00 H new ATOM 1828 N VAL A 119 -2.416 8.236 -14.367 1.00 0.00 N ATOM 1829 CA VAL A 119 -1.277 7.294 -14.182 1.00 0.00 C ATOM 1830 C VAL A 119 -0.660 7.664 -12.802 1.00 0.00 C ATOM 1831 O VAL A 119 0.169 8.577 -12.712 1.00 0.00 O ATOM 1832 CB VAL A 119 -0.254 7.326 -15.375 1.00 0.00 C ATOM 1833 CG1 VAL A 119 0.919 6.336 -15.180 1.00 0.00 C ATOM 1834 CG2 VAL A 119 -0.891 7.038 -16.758 1.00 0.00 C ATOM 0 H VAL A 119 -2.165 9.217 -14.240 1.00 0.00 H new ATOM 0 HA VAL A 119 -1.607 6.255 -14.186 1.00 0.00 H new ATOM 0 HB VAL A 119 0.114 8.352 -15.366 1.00 0.00 H new ATOM 0 HG11 VAL A 119 1.595 6.400 -16.033 1.00 0.00 H new ATOM 0 HG12 VAL A 119 1.461 6.589 -14.268 1.00 0.00 H new ATOM 0 HG13 VAL A 119 0.529 5.321 -15.101 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -0.121 7.078 -17.529 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -1.345 6.047 -16.750 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -1.655 7.786 -16.969 1.00 0.00 H new ATOM 1844 N PHE A 120 -1.058 6.931 -11.741 1.00 0.00 N ATOM 1845 CA PHE A 120 -0.509 7.129 -10.374 1.00 0.00 C ATOM 1846 C PHE A 120 0.779 6.293 -10.201 1.00 0.00 C ATOM 1847 O PHE A 120 0.722 5.083 -9.970 1.00 0.00 O ATOM 1848 CB PHE A 120 -1.581 6.790 -9.303 1.00 0.00 C ATOM 1849 CG PHE A 120 -1.224 6.967 -7.805 1.00 0.00 C ATOM 1850 CD1 PHE A 120 -0.338 7.955 -7.350 1.00 0.00 C ATOM 1851 CD2 PHE A 120 -1.845 6.135 -6.864 1.00 0.00 C ATOM 1852 CE1 PHE A 120 -0.102 8.124 -5.991 1.00 0.00 C ATOM 1853 CE2 PHE A 120 -1.602 6.301 -5.504 1.00 0.00 C ATOM 1854 CZ PHE A 120 -0.731 7.296 -5.069 1.00 0.00 C ATOM 0 H PHE A 120 -1.760 6.193 -11.801 1.00 0.00 H new ATOM 0 HA PHE A 120 -0.243 8.177 -10.235 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -2.458 7.405 -9.508 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -1.878 5.752 -9.451 1.00 0.00 H new ATOM 0 HD1 PHE A 120 0.166 8.591 -8.063 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -2.518 5.359 -7.197 1.00 0.00 H new ATOM 0 HE1 PHE A 120 0.570 8.898 -5.652 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -2.089 5.658 -4.786 1.00 0.00 H new ATOM 0 HZ PHE A 120 -0.544 7.425 -4.013 1.00 0.00 H new ATOM 1864 N LYS A 121 1.928 6.980 -10.282 1.00 0.00 N ATOM 1865 CA LYS A 121 3.255 6.347 -10.075 1.00 0.00 C ATOM 1866 C LYS A 121 3.745 6.734 -8.654 1.00 0.00 C ATOM 1867 O LYS A 121 4.154 7.872 -8.412 1.00 0.00 O ATOM 1868 CB LYS A 121 4.203 6.789 -11.219 1.00 0.00 C ATOM 1869 CG LYS A 121 5.520 5.990 -11.283 1.00 0.00 C ATOM 1870 CD LYS A 121 6.437 6.462 -12.433 1.00 0.00 C ATOM 1871 CE LYS A 121 7.728 5.641 -12.620 1.00 0.00 C ATOM 1872 NZ LYS A 121 8.705 5.833 -11.530 1.00 0.00 N ATOM 0 H LYS A 121 1.973 7.978 -10.490 1.00 0.00 H new ATOM 0 HA LYS A 121 3.217 5.259 -10.118 1.00 0.00 H new ATOM 0 HB2 LYS A 121 3.681 6.687 -12.170 1.00 0.00 H new ATOM 0 HB3 LYS A 121 4.437 7.847 -11.096 1.00 0.00 H new ATOM 0 HG2 LYS A 121 6.049 6.090 -10.335 1.00 0.00 H new ATOM 0 HG3 LYS A 121 5.294 4.932 -11.412 1.00 0.00 H new ATOM 0 HD2 LYS A 121 5.870 6.435 -13.363 1.00 0.00 H new ATOM 0 HD3 LYS A 121 6.709 7.502 -12.256 1.00 0.00 H new ATOM 0 HE2 LYS A 121 7.472 4.584 -12.687 1.00 0.00 H new ATOM 0 HE3 LYS A 121 8.192 5.917 -13.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 9.549 5.255 -11.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 8.976 6.836 -11.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 8.278 5.544 -10.627 1.00 0.00 H new ATOM 1886 N ARG A 122 3.667 5.767 -7.728 1.00 0.00 N ATOM 1887 CA ARG A 122 3.992 5.968 -6.289 1.00 0.00 C ATOM 1888 C ARG A 122 5.251 5.138 -5.930 1.00 0.00 C ATOM 1889 O ARG A 122 5.273 3.918 -6.113 1.00 0.00 O ATOM 1890 CB ARG A 122 2.788 5.647 -5.361 1.00 0.00 C ATOM 1891 CG ARG A 122 2.049 4.300 -5.558 1.00 0.00 C ATOM 1892 CD ARG A 122 1.064 3.924 -4.438 1.00 0.00 C ATOM 1893 NE ARG A 122 1.760 3.506 -3.193 1.00 0.00 N ATOM 1894 CZ ARG A 122 1.366 3.824 -1.944 1.00 0.00 C ATOM 1895 NH1 ARG A 122 0.292 4.559 -1.661 1.00 0.00 N ATOM 1896 NH2 ARG A 122 2.093 3.381 -0.938 1.00 0.00 N ATOM 0 H ARG A 122 3.376 4.814 -7.947 1.00 0.00 H new ATOM 0 HA ARG A 122 4.210 7.023 -6.123 1.00 0.00 H new ATOM 0 HB2 ARG A 122 3.143 5.684 -4.331 1.00 0.00 H new ATOM 0 HB3 ARG A 122 2.057 6.447 -5.476 1.00 0.00 H new ATOM 0 HG2 ARG A 122 1.505 4.337 -6.502 1.00 0.00 H new ATOM 0 HG3 ARG A 122 2.791 3.507 -5.649 1.00 0.00 H new ATOM 0 HD2 ARG A 122 0.419 4.776 -4.223 1.00 0.00 H new ATOM 0 HD3 ARG A 122 0.419 3.115 -4.781 1.00 0.00 H new ATOM 0 HE ARG A 122 2.600 2.935 -3.291 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -0.292 4.920 -2.415 1.00 0.00 H new ATOM 0 HH12 ARG A 122 0.053 4.761 -0.690 1.00 0.00 H new ATOM 0 HH21 ARG A 122 2.924 2.817 -1.118 1.00 0.00 H new ATOM 0 HH22 ARG A 122 1.825 3.602 0.021 1.00 0.00 H new ATOM 1910 N ILE A 123 6.295 5.821 -5.428 1.00 0.00 N ATOM 1911 CA ILE A 123 7.637 5.219 -5.212 1.00 0.00 C ATOM 1912 C ILE A 123 7.804 5.154 -3.669 1.00 0.00 C ATOM 1913 O ILE A 123 8.108 6.166 -3.028 1.00 0.00 O ATOM 1914 CB ILE A 123 8.796 6.005 -5.932 1.00 0.00 C ATOM 1915 CG1 ILE A 123 8.632 6.189 -7.476 1.00 0.00 C ATOM 1916 CG2 ILE A 123 10.167 5.319 -5.679 1.00 0.00 C ATOM 1917 CD1 ILE A 123 7.759 7.373 -7.930 1.00 0.00 C ATOM 0 H ILE A 123 6.240 6.803 -5.159 1.00 0.00 H new ATOM 0 HA ILE A 123 7.705 4.228 -5.661 1.00 0.00 H new ATOM 0 HB ILE A 123 8.746 6.999 -5.488 1.00 0.00 H new ATOM 0 HG12 ILE A 123 9.623 6.306 -7.914 1.00 0.00 H new ATOM 0 HG13 ILE A 123 8.208 5.273 -7.887 1.00 0.00 H new ATOM 0 HG21 ILE A 123 10.953 5.879 -6.186 1.00 0.00 H new ATOM 0 HG22 ILE A 123 10.370 5.296 -4.608 1.00 0.00 H new ATOM 0 HG23 ILE A 123 10.141 4.300 -6.065 1.00 0.00 H new ATOM 0 HD11 ILE A 123 7.719 7.399 -9.019 1.00 0.00 H new ATOM 0 HD12 ILE A 123 6.751 7.255 -7.533 1.00 0.00 H new ATOM 0 HD13 ILE A 123 8.188 8.304 -7.560 1.00 0.00 H new ATOM 1929 N SER A 124 7.631 3.949 -3.104 1.00 0.00 N ATOM 1930 CA SER A 124 7.930 3.674 -1.679 1.00 0.00 C ATOM 1931 C SER A 124 9.283 2.932 -1.613 1.00 0.00 C ATOM 1932 O SER A 124 9.408 1.800 -2.086 1.00 0.00 O ATOM 1933 CB SER A 124 6.793 2.847 -1.039 1.00 0.00 C ATOM 1934 OG SER A 124 5.555 3.545 -1.048 1.00 0.00 O ATOM 0 H SER A 124 7.282 3.138 -3.614 1.00 0.00 H new ATOM 0 HA SER A 124 7.999 4.604 -1.114 1.00 0.00 H new ATOM 0 HB2 SER A 124 6.682 1.906 -1.578 1.00 0.00 H new ATOM 0 HB3 SER A 124 7.061 2.597 -0.012 1.00 0.00 H new ATOM 0 HG SER A 124 4.862 2.987 -0.636 1.00 0.00 H new ATOM 1940 N LYS A 125 10.306 3.598 -1.054 1.00 0.00 N ATOM 1941 CA LYS A 125 11.706 3.116 -1.113 1.00 0.00 C ATOM 1942 C LYS A 125 11.982 2.093 0.014 1.00 0.00 C ATOM 1943 O LYS A 125 11.486 2.249 1.129 1.00 0.00 O ATOM 1944 CB LYS A 125 12.655 4.340 -1.043 1.00 0.00 C ATOM 1945 CG LYS A 125 14.088 4.048 -1.530 1.00 0.00 C ATOM 1946 CD LYS A 125 15.172 3.935 -0.447 1.00 0.00 C ATOM 1947 CE LYS A 125 16.502 3.495 -1.084 1.00 0.00 C ATOM 1948 NZ LYS A 125 17.582 3.412 -0.088 1.00 0.00 N ATOM 0 H LYS A 125 10.194 4.478 -0.551 1.00 0.00 H new ATOM 0 HA LYS A 125 11.884 2.592 -2.052 1.00 0.00 H new ATOM 0 HB2 LYS A 125 12.235 5.147 -1.643 1.00 0.00 H new ATOM 0 HB3 LYS A 125 12.697 4.696 -0.014 1.00 0.00 H new ATOM 0 HG2 LYS A 125 14.073 3.116 -2.095 1.00 0.00 H new ATOM 0 HG3 LYS A 125 14.380 4.837 -2.223 1.00 0.00 H new ATOM 0 HD2 LYS A 125 15.299 4.894 0.055 1.00 0.00 H new ATOM 0 HD3 LYS A 125 14.866 3.215 0.313 1.00 0.00 H new ATOM 0 HE2 LYS A 125 16.373 2.524 -1.562 1.00 0.00 H new ATOM 0 HE3 LYS A 125 16.782 4.201 -1.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 18.462 3.113 -0.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 17.722 4.345 0.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 17.326 2.720 0.645 1.00 0.00 H new ATOM 1962 N ARG A 126 12.777 1.054 -0.288 1.00 0.00 N ATOM 1963 CA ARG A 126 12.959 -0.112 0.606 1.00 0.00 C ATOM 1964 C ARG A 126 13.851 0.211 1.843 1.00 0.00 C ATOM 1965 O ARG A 126 14.898 0.860 1.742 1.00 0.00 O ATOM 1966 CB ARG A 126 13.516 -1.265 -0.269 1.00 0.00 C ATOM 1967 CG ARG A 126 13.461 -2.655 0.385 1.00 0.00 C ATOM 1968 CD ARG A 126 13.870 -3.777 -0.584 1.00 0.00 C ATOM 1969 NE ARG A 126 13.728 -5.106 0.056 1.00 0.00 N ATOM 1970 CZ ARG A 126 13.986 -6.277 -0.559 1.00 0.00 C ATOM 1971 NH1 ARG A 126 14.380 -6.381 -1.828 1.00 0.00 N ATOM 1972 NH2 ARG A 126 13.844 -7.385 0.142 1.00 0.00 N ATOM 0 H ARG A 126 13.312 0.994 -1.154 1.00 0.00 H new ATOM 0 HA ARG A 126 12.007 -0.408 1.047 1.00 0.00 H new ATOM 0 HB2 ARG A 126 12.956 -1.296 -1.204 1.00 0.00 H new ATOM 0 HB3 ARG A 126 14.551 -1.040 -0.525 1.00 0.00 H new ATOM 0 HG2 ARG A 126 14.120 -2.671 1.253 1.00 0.00 H new ATOM 0 HG3 ARG A 126 12.450 -2.843 0.748 1.00 0.00 H new ATOM 0 HD2 ARG A 126 13.251 -3.733 -1.480 1.00 0.00 H new ATOM 0 HD3 ARG A 126 14.902 -3.630 -0.902 1.00 0.00 H new ATOM 0 HE ARG A 126 13.414 -5.136 1.026 1.00 0.00 H new ATOM 0 HH11 ARG A 126 14.503 -5.542 -2.394 1.00 0.00 H new ATOM 0 HH12 ARG A 126 14.559 -7.300 -2.233 1.00 0.00 H new ATOM 0 HH21 ARG A 126 13.548 -7.337 1.117 1.00 0.00 H new ATOM 0 HH22 ARG A 126 14.031 -8.290 -0.291 1.00 0.00 H new ATOM 1986 N ILE A 127 13.362 -0.238 3.007 1.00 0.00 N ATOM 1987 CA ILE A 127 13.804 0.241 4.339 1.00 0.00 C ATOM 1988 C ILE A 127 14.341 -1.004 5.073 1.00 0.00 C ATOM 1989 O ILE A 127 13.592 -1.871 5.529 1.00 0.00 O ATOM 1990 CB ILE A 127 12.617 0.972 5.070 1.00 0.00 C ATOM 1991 CG1 ILE A 127 12.002 2.182 4.315 1.00 0.00 C ATOM 1992 CG2 ILE A 127 12.924 1.422 6.509 1.00 0.00 C ATOM 1993 CD1 ILE A 127 12.949 3.317 3.880 1.00 0.00 C ATOM 0 H ILE A 127 12.638 -0.954 3.059 1.00 0.00 H new ATOM 0 HA ILE A 127 14.595 0.990 4.292 1.00 0.00 H new ATOM 0 HB ILE A 127 11.880 0.169 5.090 1.00 0.00 H new ATOM 0 HG12 ILE A 127 11.504 1.802 3.423 1.00 0.00 H new ATOM 0 HG13 ILE A 127 11.230 2.616 4.951 1.00 0.00 H new ATOM 0 HG21 ILE A 127 12.048 1.915 6.931 1.00 0.00 H new ATOM 0 HG22 ILE A 127 13.178 0.553 7.116 1.00 0.00 H new ATOM 0 HG23 ILE A 127 13.763 2.117 6.502 1.00 0.00 H new ATOM 0 HD11 ILE A 127 12.378 4.090 3.366 1.00 0.00 H new ATOM 0 HD12 ILE A 127 13.431 3.746 4.759 1.00 0.00 H new ATOM 0 HD13 ILE A 127 13.709 2.919 3.207 1.00 0.00 H new TER 2005 ILE A 127