USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 513 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 78 ASN : amide:sc= 0.0312 X(o=0.0094,f=-0.28) USER MOD Set 1.2: A 79 SER OG : rot 50:sc= -0.0218 USER MOD Single : A 21 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.0114 USER MOD Single : A 30 GLN : amide:sc= -0.127 X(o=-0.13,f=-0.14) USER MOD Single : A 35 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0172) USER MOD Single : A 37 TYR OH : rot -138:sc= -0.221 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= -0.185 K(o=-0.19,f=-2.7) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -79:sc= 0.287 USER MOD Single : A 67 SER OG : rot 170:sc= 0 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 44:sc= 0.265 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -0.474 K(o=-0.47,f=-3.2!) USER MOD Single : A 89 TYR OH : rot 180:sc= -0.202 USER MOD Single : A 90 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.033) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 21 1.349 -1.746 -0.899 1.00 0.00 N ATOM 2 CA HIS A 21 0.388 -2.877 -0.780 1.00 0.00 C ATOM 3 C HIS A 21 0.443 -3.788 -2.021 1.00 0.00 C ATOM 4 O HIS A 21 0.073 -4.962 -1.939 1.00 0.00 O ATOM 5 CB HIS A 21 -1.061 -2.364 -0.529 1.00 0.00 C ATOM 6 CG HIS A 21 -1.694 -1.599 -1.671 1.00 0.00 C ATOM 7 ND1 HIS A 21 -1.672 -0.227 -1.763 1.00 0.00 N ATOM 8 CD2 HIS A 21 -2.380 -2.026 -2.764 1.00 0.00 C ATOM 9 CE1 HIS A 21 -2.312 0.154 -2.846 1.00 0.00 C ATOM 10 NE2 HIS A 21 -2.750 -0.916 -3.475 1.00 0.00 N ATOM 0 HA HIS A 21 0.685 -3.471 0.084 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -1.694 -3.220 -0.294 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -1.052 -1.723 0.353 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -2.594 -3.052 -3.024 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -2.455 1.175 -3.167 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -3.278 -0.918 -4.348 1.00 0.00 H new ATOM 19 N ALA A 22 0.906 -3.235 -3.162 1.00 0.00 N ATOM 20 CA ALA A 22 0.944 -3.944 -4.457 1.00 0.00 C ATOM 21 C ALA A 22 2.012 -3.337 -5.386 1.00 0.00 C ATOM 22 O ALA A 22 2.188 -2.112 -5.425 1.00 0.00 O ATOM 23 CB ALA A 22 -0.438 -3.907 -5.133 1.00 0.00 C ATOM 0 H ALA A 22 1.265 -2.281 -3.210 1.00 0.00 H new ATOM 0 HA ALA A 22 1.211 -4.983 -4.265 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -0.391 -4.434 -6.086 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -1.172 -4.389 -4.487 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -0.731 -2.871 -5.305 1.00 0.00 H new ATOM 29 N ALA A 23 2.735 -4.211 -6.109 1.00 0.00 N ATOM 30 CA ALA A 23 3.680 -3.810 -7.163 1.00 0.00 C ATOM 31 C ALA A 23 2.922 -3.580 -8.476 1.00 0.00 C ATOM 32 O ALA A 23 1.820 -4.113 -8.662 1.00 0.00 O ATOM 33 CB ALA A 23 4.778 -4.866 -7.349 1.00 0.00 C ATOM 0 H ALA A 23 2.679 -5.221 -5.976 1.00 0.00 H new ATOM 0 HA ALA A 23 4.163 -2.880 -6.863 1.00 0.00 H new ATOM 0 HB1 ALA A 23 5.463 -4.545 -8.134 1.00 0.00 H new ATOM 0 HB2 ALA A 23 5.327 -4.988 -6.416 1.00 0.00 H new ATOM 0 HB3 ALA A 23 4.325 -5.817 -7.630 1.00 0.00 H new ATOM 39 N THR A 24 3.514 -2.778 -9.366 1.00 0.00 N ATOM 40 CA THR A 24 2.913 -2.404 -10.654 1.00 0.00 C ATOM 41 C THR A 24 2.749 -3.628 -11.575 1.00 0.00 C ATOM 42 O THR A 24 3.654 -4.461 -11.671 1.00 0.00 O ATOM 43 CB THR A 24 3.807 -1.328 -11.355 1.00 0.00 C ATOM 44 OG1 THR A 24 4.027 -0.222 -10.464 1.00 0.00 O ATOM 45 CG2 THR A 24 3.198 -0.804 -12.669 1.00 0.00 C ATOM 0 H THR A 24 4.434 -2.365 -9.213 1.00 0.00 H new ATOM 0 HA THR A 24 1.922 -1.994 -10.462 1.00 0.00 H new ATOM 0 HB THR A 24 4.749 -1.817 -11.604 1.00 0.00 H new ATOM 0 HG1 THR A 24 4.589 0.448 -10.907 1.00 0.00 H new ATOM 0 HG21 THR A 24 3.864 -0.061 -13.108 1.00 0.00 H new ATOM 0 HG22 THR A 24 3.069 -1.632 -13.366 1.00 0.00 H new ATOM 0 HG23 THR A 24 2.230 -0.348 -12.465 1.00 0.00 H new ATOM 53 N GLU A 25 1.581 -3.748 -12.234 1.00 0.00 N ATOM 54 CA GLU A 25 1.375 -4.774 -13.261 1.00 0.00 C ATOM 55 C GLU A 25 2.121 -4.347 -14.534 1.00 0.00 C ATOM 56 O GLU A 25 1.840 -3.285 -15.108 1.00 0.00 O ATOM 57 CB GLU A 25 -0.129 -4.996 -13.540 1.00 0.00 C ATOM 58 CG GLU A 25 -0.427 -6.147 -14.521 1.00 0.00 C ATOM 59 CD GLU A 25 -1.927 -6.319 -14.814 1.00 0.00 C ATOM 60 OE1 GLU A 25 -2.470 -5.560 -15.650 1.00 0.00 O ATOM 61 OE2 GLU A 25 -2.569 -7.185 -14.190 1.00 0.00 O ATOM 0 H GLU A 25 0.772 -3.148 -12.071 1.00 0.00 H new ATOM 0 HA GLU A 25 1.771 -5.726 -12.908 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -0.636 -5.197 -12.596 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -0.553 -4.075 -13.939 1.00 0.00 H new ATOM 0 HG2 GLU A 25 0.101 -5.964 -15.457 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -0.034 -7.077 -14.110 1.00 0.00 H new ATOM 68 N LEU A 26 3.092 -5.165 -14.939 1.00 0.00 N ATOM 69 CA LEU A 26 3.959 -4.898 -16.091 1.00 0.00 C ATOM 70 C LEU A 26 3.340 -5.567 -17.328 1.00 0.00 C ATOM 71 O LEU A 26 3.018 -6.763 -17.292 1.00 0.00 O ATOM 72 CB LEU A 26 5.395 -5.435 -15.810 1.00 0.00 C ATOM 73 CG LEU A 26 6.530 -4.931 -16.749 1.00 0.00 C ATOM 74 CD1 LEU A 26 6.691 -3.397 -16.671 1.00 0.00 C ATOM 75 CD2 LEU A 26 7.862 -5.637 -16.423 1.00 0.00 C ATOM 0 H LEU A 26 3.303 -6.046 -14.470 1.00 0.00 H new ATOM 0 HA LEU A 26 4.040 -3.826 -16.270 1.00 0.00 H new ATOM 0 HB2 LEU A 26 5.661 -5.174 -14.786 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.367 -6.523 -15.865 1.00 0.00 H new ATOM 0 HG LEU A 26 6.248 -5.181 -17.772 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.492 -3.081 -17.339 1.00 0.00 H new ATOM 0 HD12 LEU A 26 5.759 -2.918 -16.970 1.00 0.00 H new ATOM 0 HD13 LEU A 26 6.936 -3.108 -15.649 1.00 0.00 H new ATOM 0 HD21 LEU A 26 8.641 -5.270 -17.091 1.00 0.00 H new ATOM 0 HD22 LEU A 26 8.141 -5.428 -15.390 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.746 -6.712 -16.557 1.00 0.00 H new ATOM 87 N THR A 27 3.159 -4.783 -18.396 1.00 0.00 N ATOM 88 CA THR A 27 2.508 -5.237 -19.636 1.00 0.00 C ATOM 89 C THR A 27 3.441 -6.199 -20.432 1.00 0.00 C ATOM 90 O THR A 27 4.662 -6.026 -20.387 1.00 0.00 O ATOM 91 CB THR A 27 2.083 -3.996 -20.495 1.00 0.00 C ATOM 92 OG1 THR A 27 3.202 -3.099 -20.639 1.00 0.00 O ATOM 93 CG2 THR A 27 0.895 -3.232 -19.880 1.00 0.00 C ATOM 0 H THR A 27 3.461 -3.809 -18.428 1.00 0.00 H new ATOM 0 HA THR A 27 1.610 -5.800 -19.384 1.00 0.00 H new ATOM 0 HB THR A 27 1.766 -4.371 -21.468 1.00 0.00 H new ATOM 0 HG1 THR A 27 2.934 -2.325 -21.178 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.641 -2.382 -20.514 1.00 0.00 H new ATOM 0 HG22 THR A 27 0.035 -3.897 -19.803 1.00 0.00 H new ATOM 0 HG23 THR A 27 1.167 -2.875 -18.887 1.00 0.00 H new ATOM 101 N PRO A 28 2.862 -7.225 -21.165 1.00 0.00 N ATOM 102 CA PRO A 28 3.612 -8.362 -21.802 1.00 0.00 C ATOM 103 C PRO A 28 4.930 -7.996 -22.543 1.00 0.00 C ATOM 104 O PRO A 28 5.949 -8.663 -22.328 1.00 0.00 O ATOM 105 CB PRO A 28 2.564 -9.000 -22.773 1.00 0.00 C ATOM 106 CG PRO A 28 1.381 -8.069 -22.758 1.00 0.00 C ATOM 107 CD PRO A 28 1.405 -7.392 -21.416 1.00 0.00 C ATOM 0 HA PRO A 28 3.982 -9.034 -21.027 1.00 0.00 H new ATOM 0 HB2 PRO A 28 2.972 -9.100 -23.779 1.00 0.00 H new ATOM 0 HB3 PRO A 28 2.281 -9.999 -22.443 1.00 0.00 H new ATOM 0 HG2 PRO A 28 1.448 -7.339 -23.565 1.00 0.00 H new ATOM 0 HG3 PRO A 28 0.450 -8.618 -22.902 1.00 0.00 H new ATOM 0 HD2 PRO A 28 0.884 -6.435 -21.435 1.00 0.00 H new ATOM 0 HD3 PRO A 28 0.928 -7.999 -20.647 1.00 0.00 H new ATOM 115 N GLU A 29 4.915 -6.961 -23.415 1.00 0.00 N ATOM 116 CA GLU A 29 6.133 -6.546 -24.169 1.00 0.00 C ATOM 117 C GLU A 29 7.196 -5.949 -23.228 1.00 0.00 C ATOM 118 O GLU A 29 8.387 -6.237 -23.364 1.00 0.00 O ATOM 119 CB GLU A 29 5.795 -5.536 -25.302 1.00 0.00 C ATOM 120 CG GLU A 29 7.019 -4.965 -26.044 1.00 0.00 C ATOM 121 CD GLU A 29 6.661 -4.041 -27.215 1.00 0.00 C ATOM 122 OE1 GLU A 29 6.392 -2.843 -26.984 1.00 0.00 O ATOM 123 OE2 GLU A 29 6.650 -4.507 -28.376 1.00 0.00 O ATOM 0 H GLU A 29 4.087 -6.401 -23.616 1.00 0.00 H new ATOM 0 HA GLU A 29 6.541 -7.446 -24.629 1.00 0.00 H new ATOM 0 HB2 GLU A 29 5.145 -6.028 -26.026 1.00 0.00 H new ATOM 0 HB3 GLU A 29 5.228 -4.709 -24.875 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.637 -4.414 -25.335 1.00 0.00 H new ATOM 0 HG3 GLU A 29 7.623 -5.792 -26.418 1.00 0.00 H new ATOM 130 N GLN A 30 6.751 -5.121 -22.265 1.00 0.00 N ATOM 131 CA GLN A 30 7.649 -4.487 -21.276 1.00 0.00 C ATOM 132 C GLN A 30 8.247 -5.534 -20.316 1.00 0.00 C ATOM 133 O GLN A 30 9.355 -5.361 -19.796 1.00 0.00 O ATOM 134 CB GLN A 30 6.901 -3.372 -20.510 1.00 0.00 C ATOM 135 CG GLN A 30 6.433 -2.197 -21.394 1.00 0.00 C ATOM 136 CD GLN A 30 7.577 -1.541 -22.172 1.00 0.00 C ATOM 137 OE1 GLN A 30 7.879 -1.912 -23.313 1.00 0.00 O ATOM 138 NE2 GLN A 30 8.242 -0.578 -21.547 1.00 0.00 N ATOM 0 H GLN A 30 5.769 -4.873 -22.149 1.00 0.00 H new ATOM 0 HA GLN A 30 8.482 -4.029 -21.809 1.00 0.00 H new ATOM 0 HB2 GLN A 30 6.033 -3.807 -20.015 1.00 0.00 H new ATOM 0 HB3 GLN A 30 7.553 -2.985 -19.727 1.00 0.00 H new ATOM 0 HG2 GLN A 30 5.681 -2.556 -22.097 1.00 0.00 H new ATOM 0 HG3 GLN A 30 5.951 -1.447 -20.767 1.00 0.00 H new ATOM 0 HE21 GLN A 30 7.967 -0.296 -20.606 1.00 0.00 H new ATOM 0 HE22 GLN A 30 9.028 -0.120 -22.007 1.00 0.00 H new ATOM 147 N ALA A 31 7.497 -6.625 -20.108 1.00 0.00 N ATOM 148 CA ALA A 31 7.954 -7.796 -19.349 1.00 0.00 C ATOM 149 C ALA A 31 9.023 -8.570 -20.138 1.00 0.00 C ATOM 150 O ALA A 31 10.035 -8.997 -19.584 1.00 0.00 O ATOM 151 CB ALA A 31 6.756 -8.686 -19.019 1.00 0.00 C ATOM 0 H ALA A 31 6.547 -6.720 -20.466 1.00 0.00 H new ATOM 0 HA ALA A 31 8.412 -7.466 -18.417 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.093 -9.556 -18.456 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.038 -8.123 -18.422 1.00 0.00 H new ATOM 0 HB3 ALA A 31 6.281 -9.014 -19.944 1.00 0.00 H new ATOM 157 N ALA A 32 8.783 -8.708 -21.450 1.00 0.00 N ATOM 158 CA ALA A 32 9.707 -9.385 -22.382 1.00 0.00 C ATOM 159 C ALA A 32 10.950 -8.516 -22.683 1.00 0.00 C ATOM 160 O ALA A 32 11.941 -9.010 -23.223 1.00 0.00 O ATOM 161 CB ALA A 32 8.961 -9.731 -23.680 1.00 0.00 C ATOM 0 H ALA A 32 7.939 -8.353 -21.900 1.00 0.00 H new ATOM 0 HA ALA A 32 10.061 -10.302 -21.911 1.00 0.00 H new ATOM 0 HB1 ALA A 32 9.642 -10.231 -24.369 1.00 0.00 H new ATOM 0 HB2 ALA A 32 8.124 -10.392 -23.454 1.00 0.00 H new ATOM 0 HB3 ALA A 32 8.587 -8.816 -24.140 1.00 0.00 H new ATOM 167 N ALA A 33 10.870 -7.216 -22.344 1.00 0.00 N ATOM 168 CA ALA A 33 11.981 -6.259 -22.507 1.00 0.00 C ATOM 169 C ALA A 33 12.917 -6.291 -21.286 1.00 0.00 C ATOM 170 O ALA A 33 14.148 -6.216 -21.421 1.00 0.00 O ATOM 171 CB ALA A 33 11.425 -4.843 -22.722 1.00 0.00 C ATOM 0 H ALA A 33 10.029 -6.798 -21.947 1.00 0.00 H new ATOM 0 HA ALA A 33 12.562 -6.548 -23.383 1.00 0.00 H new ATOM 0 HB1 ALA A 33 12.251 -4.142 -22.842 1.00 0.00 H new ATOM 0 HB2 ALA A 33 10.804 -4.828 -23.618 1.00 0.00 H new ATOM 0 HB3 ALA A 33 10.825 -4.553 -21.860 1.00 0.00 H new ATOM 177 N LEU A 34 12.313 -6.388 -20.088 1.00 0.00 N ATOM 178 CA LEU A 34 13.043 -6.350 -18.811 1.00 0.00 C ATOM 179 C LEU A 34 13.355 -7.768 -18.311 1.00 0.00 C ATOM 180 O LEU A 34 12.666 -8.733 -18.661 1.00 0.00 O ATOM 181 CB LEU A 34 12.221 -5.564 -17.750 1.00 0.00 C ATOM 182 CG LEU A 34 11.904 -4.074 -18.106 1.00 0.00 C ATOM 183 CD1 LEU A 34 11.081 -3.392 -16.987 1.00 0.00 C ATOM 184 CD2 LEU A 34 13.198 -3.293 -18.428 1.00 0.00 C ATOM 0 H LEU A 34 11.304 -6.495 -19.980 1.00 0.00 H new ATOM 0 HA LEU A 34 13.991 -5.838 -18.972 1.00 0.00 H new ATOM 0 HB2 LEU A 34 11.279 -6.088 -17.586 1.00 0.00 H new ATOM 0 HB3 LEU A 34 12.766 -5.585 -16.806 1.00 0.00 H new ATOM 0 HG LEU A 34 11.288 -4.066 -19.005 1.00 0.00 H new ATOM 0 HD11 LEU A 34 10.877 -2.358 -17.264 1.00 0.00 H new ATOM 0 HD12 LEU A 34 10.139 -3.924 -16.852 1.00 0.00 H new ATOM 0 HD13 LEU A 34 11.646 -3.413 -16.055 1.00 0.00 H new ATOM 0 HD21 LEU A 34 12.949 -2.260 -18.672 1.00 0.00 H new ATOM 0 HD22 LEU A 34 13.859 -3.312 -17.562 1.00 0.00 H new ATOM 0 HD23 LEU A 34 13.700 -3.755 -19.278 1.00 0.00 H new ATOM 196 N LYS A 35 14.417 -7.877 -17.502 1.00 0.00 N ATOM 197 CA LYS A 35 14.813 -9.129 -16.848 1.00 0.00 C ATOM 198 C LYS A 35 14.242 -9.163 -15.415 1.00 0.00 C ATOM 199 O LYS A 35 14.440 -8.207 -14.655 1.00 0.00 O ATOM 200 CB LYS A 35 16.364 -9.269 -16.799 1.00 0.00 C ATOM 201 CG LYS A 35 16.857 -10.560 -16.104 1.00 0.00 C ATOM 202 CD LYS A 35 18.390 -10.638 -15.981 1.00 0.00 C ATOM 203 CE LYS A 35 18.860 -11.889 -15.220 1.00 0.00 C ATOM 204 NZ LYS A 35 18.483 -13.153 -15.906 1.00 0.00 N ATOM 0 H LYS A 35 15.030 -7.092 -17.282 1.00 0.00 H new ATOM 0 HA LYS A 35 14.414 -9.962 -17.426 1.00 0.00 H new ATOM 0 HB2 LYS A 35 16.753 -9.245 -17.817 1.00 0.00 H new ATOM 0 HB3 LYS A 35 16.780 -8.407 -16.278 1.00 0.00 H new ATOM 0 HG2 LYS A 35 16.416 -10.620 -15.109 1.00 0.00 H new ATOM 0 HG3 LYS A 35 16.500 -11.425 -16.663 1.00 0.00 H new ATOM 0 HD2 LYS A 35 18.831 -10.637 -16.978 1.00 0.00 H new ATOM 0 HD3 LYS A 35 18.755 -9.748 -15.469 1.00 0.00 H new ATOM 0 HE2 LYS A 35 19.943 -11.853 -15.103 1.00 0.00 H new ATOM 0 HE3 LYS A 35 18.431 -11.882 -14.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 18.867 -13.962 -15.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 17.447 -13.229 -15.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 18.871 -13.153 -16.871 1.00 0.00 H new ATOM 218 N PRO A 36 13.503 -10.245 -15.026 1.00 0.00 N ATOM 219 CA PRO A 36 13.091 -10.455 -13.627 1.00 0.00 C ATOM 220 C PRO A 36 14.271 -10.953 -12.770 1.00 0.00 C ATOM 221 O PRO A 36 15.082 -11.762 -13.235 1.00 0.00 O ATOM 222 CB PRO A 36 11.977 -11.511 -13.745 1.00 0.00 C ATOM 223 CG PRO A 36 12.323 -12.293 -14.980 1.00 0.00 C ATOM 224 CD PRO A 36 12.993 -11.320 -15.921 1.00 0.00 C ATOM 0 HA PRO A 36 12.753 -9.544 -13.133 1.00 0.00 H new ATOM 0 HB2 PRO A 36 11.946 -12.154 -12.865 1.00 0.00 H new ATOM 0 HB3 PRO A 36 10.996 -11.044 -13.834 1.00 0.00 H new ATOM 0 HG2 PRO A 36 12.987 -13.124 -14.741 1.00 0.00 H new ATOM 0 HG3 PRO A 36 11.429 -12.720 -15.434 1.00 0.00 H new ATOM 0 HD2 PRO A 36 13.802 -11.795 -16.476 1.00 0.00 H new ATOM 0 HD3 PRO A 36 12.290 -10.927 -16.656 1.00 0.00 H new ATOM 232 N TYR A 37 14.379 -10.453 -11.529 1.00 0.00 N ATOM 233 CA TYR A 37 15.448 -10.884 -10.605 1.00 0.00 C ATOM 234 C TYR A 37 15.055 -12.184 -9.881 1.00 0.00 C ATOM 235 O TYR A 37 15.918 -12.908 -9.370 1.00 0.00 O ATOM 236 CB TYR A 37 15.823 -9.767 -9.591 1.00 0.00 C ATOM 237 CG TYR A 37 14.723 -9.376 -8.582 1.00 0.00 C ATOM 238 CD1 TYR A 37 13.759 -8.422 -8.899 1.00 0.00 C ATOM 239 CD2 TYR A 37 14.674 -9.941 -7.302 1.00 0.00 C ATOM 240 CE1 TYR A 37 12.791 -8.050 -7.990 1.00 0.00 C ATOM 241 CE2 TYR A 37 13.699 -9.580 -6.396 1.00 0.00 C ATOM 242 CZ TYR A 37 12.767 -8.632 -6.738 1.00 0.00 C ATOM 243 OH TYR A 37 11.810 -8.260 -5.823 1.00 0.00 O ATOM 0 H TYR A 37 13.745 -9.754 -11.141 1.00 0.00 H new ATOM 0 HA TYR A 37 16.337 -11.083 -11.204 1.00 0.00 H new ATOM 0 HB2 TYR A 37 16.702 -10.089 -9.034 1.00 0.00 H new ATOM 0 HB3 TYR A 37 16.109 -8.876 -10.150 1.00 0.00 H new ATOM 0 HD1 TYR A 37 13.770 -7.964 -9.877 1.00 0.00 H new ATOM 0 HD2 TYR A 37 15.415 -10.674 -7.018 1.00 0.00 H new ATOM 0 HE1 TYR A 37 12.054 -7.306 -8.256 1.00 0.00 H new ATOM 0 HE2 TYR A 37 13.669 -10.042 -5.420 1.00 0.00 H new ATOM 0 HH TYR A 37 12.220 -8.177 -4.937 1.00 0.00 H new ATOM 253 N ASP A 38 13.742 -12.466 -9.857 1.00 0.00 N ATOM 254 CA ASP A 38 13.171 -13.620 -9.151 1.00 0.00 C ATOM 255 C ASP A 38 11.787 -13.946 -9.762 1.00 0.00 C ATOM 256 O ASP A 38 11.314 -13.220 -10.648 1.00 0.00 O ATOM 257 CB ASP A 38 13.085 -13.295 -7.625 1.00 0.00 C ATOM 258 CG ASP A 38 12.799 -14.525 -6.752 1.00 0.00 C ATOM 259 OD1 ASP A 38 13.753 -15.289 -6.473 1.00 0.00 O ATOM 260 OD2 ASP A 38 11.631 -14.746 -6.359 1.00 0.00 O ATOM 0 H ASP A 38 13.043 -11.894 -10.331 1.00 0.00 H new ATOM 0 HA ASP A 38 13.802 -14.502 -9.265 1.00 0.00 H new ATOM 0 HB2 ASP A 38 14.023 -12.842 -7.305 1.00 0.00 H new ATOM 0 HB3 ASP A 38 12.302 -12.554 -7.463 1.00 0.00 H new ATOM 265 N ARG A 39 11.153 -15.040 -9.311 1.00 0.00 N ATOM 266 CA ARG A 39 9.797 -15.434 -9.737 1.00 0.00 C ATOM 267 C ARG A 39 9.012 -15.968 -8.527 1.00 0.00 C ATOM 268 O ARG A 39 9.428 -16.935 -7.883 1.00 0.00 O ATOM 269 CB ARG A 39 9.866 -16.504 -10.862 1.00 0.00 C ATOM 270 CG ARG A 39 8.507 -17.155 -11.209 1.00 0.00 C ATOM 271 CD ARG A 39 8.597 -18.207 -12.324 1.00 0.00 C ATOM 272 NE ARG A 39 8.769 -17.604 -13.651 1.00 0.00 N ATOM 273 CZ ARG A 39 8.833 -18.277 -14.804 1.00 0.00 C ATOM 274 NH1 ARG A 39 8.868 -19.605 -14.827 1.00 0.00 N ATOM 275 NH2 ARG A 39 8.876 -17.604 -15.933 1.00 0.00 N ATOM 0 H ARG A 39 11.568 -15.682 -8.636 1.00 0.00 H new ATOM 0 HA ARG A 39 9.282 -14.561 -10.137 1.00 0.00 H new ATOM 0 HB2 ARG A 39 10.274 -16.042 -11.761 1.00 0.00 H new ATOM 0 HB3 ARG A 39 10.563 -17.286 -10.561 1.00 0.00 H new ATOM 0 HG2 ARG A 39 8.098 -17.621 -10.313 1.00 0.00 H new ATOM 0 HG3 ARG A 39 7.807 -16.376 -11.511 1.00 0.00 H new ATOM 0 HD2 ARG A 39 9.433 -18.876 -12.121 1.00 0.00 H new ATOM 0 HD3 ARG A 39 7.693 -18.816 -12.319 1.00 0.00 H new ATOM 0 HE ARG A 39 8.846 -16.588 -13.697 1.00 0.00 H new ATOM 0 HH11 ARG A 39 8.846 -20.131 -13.953 1.00 0.00 H new ATOM 0 HH12 ARG A 39 8.917 -20.099 -15.718 1.00 0.00 H new ATOM 0 HH21 ARG A 39 8.860 -16.584 -15.920 1.00 0.00 H new ATOM 0 HH22 ARG A 39 8.925 -18.102 -16.822 1.00 0.00 H new ATOM 289 N ILE A 40 7.872 -15.327 -8.237 1.00 0.00 N ATOM 290 CA ILE A 40 6.958 -15.719 -7.147 1.00 0.00 C ATOM 291 C ILE A 40 5.830 -16.617 -7.682 1.00 0.00 C ATOM 292 O ILE A 40 5.610 -16.699 -8.894 1.00 0.00 O ATOM 293 CB ILE A 40 6.342 -14.453 -6.455 1.00 0.00 C ATOM 294 CG1 ILE A 40 5.488 -13.625 -7.469 1.00 0.00 C ATOM 295 CG2 ILE A 40 7.458 -13.588 -5.827 1.00 0.00 C ATOM 296 CD1 ILE A 40 4.850 -12.375 -6.907 1.00 0.00 C ATOM 0 H ILE A 40 7.551 -14.511 -8.757 1.00 0.00 H new ATOM 0 HA ILE A 40 7.536 -16.277 -6.410 1.00 0.00 H new ATOM 0 HB ILE A 40 5.678 -14.783 -5.656 1.00 0.00 H new ATOM 0 HG12 ILE A 40 6.123 -13.343 -8.308 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.702 -14.267 -7.866 1.00 0.00 H new ATOM 0 HG21 ILE A 40 7.016 -12.713 -5.351 1.00 0.00 H new ATOM 0 HG22 ILE A 40 7.996 -14.174 -5.082 1.00 0.00 H new ATOM 0 HG23 ILE A 40 8.150 -13.266 -6.605 1.00 0.00 H new ATOM 0 HD11 ILE A 40 4.281 -11.874 -7.690 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.183 -12.644 -6.088 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.626 -11.705 -6.537 1.00 0.00 H new ATOM 308 N VAL A 41 5.119 -17.276 -6.760 1.00 0.00 N ATOM 309 CA VAL A 41 4.002 -18.168 -7.092 1.00 0.00 C ATOM 310 C VAL A 41 2.973 -18.192 -5.945 1.00 0.00 C ATOM 311 O VAL A 41 3.341 -18.276 -4.769 1.00 0.00 O ATOM 312 CB VAL A 41 4.518 -19.629 -7.415 1.00 0.00 C ATOM 313 CG1 VAL A 41 5.386 -20.215 -6.267 1.00 0.00 C ATOM 314 CG2 VAL A 41 3.347 -20.574 -7.787 1.00 0.00 C ATOM 0 H VAL A 41 5.303 -17.205 -5.759 1.00 0.00 H new ATOM 0 HA VAL A 41 3.513 -17.782 -7.986 1.00 0.00 H new ATOM 0 HB VAL A 41 5.167 -19.550 -8.287 1.00 0.00 H new ATOM 0 HG11 VAL A 41 5.716 -21.218 -6.536 1.00 0.00 H new ATOM 0 HG12 VAL A 41 6.256 -19.578 -6.107 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.796 -20.260 -5.352 1.00 0.00 H new ATOM 0 HG21 VAL A 41 3.737 -21.569 -8.003 1.00 0.00 H new ATOM 0 HG22 VAL A 41 2.647 -20.631 -6.953 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.833 -20.187 -8.667 1.00 0.00 H new ATOM 324 N ILE A 42 1.684 -18.075 -6.303 1.00 0.00 N ATOM 325 CA ILE A 42 0.546 -18.319 -5.395 1.00 0.00 C ATOM 326 C ILE A 42 -0.340 -19.420 -6.012 1.00 0.00 C ATOM 327 O ILE A 42 -0.291 -19.664 -7.224 1.00 0.00 O ATOM 328 CB ILE A 42 -0.313 -17.022 -5.113 1.00 0.00 C ATOM 329 CG1 ILE A 42 -0.903 -16.439 -6.435 1.00 0.00 C ATOM 330 CG2 ILE A 42 0.512 -15.955 -4.341 1.00 0.00 C ATOM 331 CD1 ILE A 42 -1.875 -15.288 -6.253 1.00 0.00 C ATOM 0 H ILE A 42 1.397 -17.805 -7.244 1.00 0.00 H new ATOM 0 HA ILE A 42 0.946 -18.632 -4.431 1.00 0.00 H new ATOM 0 HB ILE A 42 -1.150 -17.310 -4.477 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -0.080 -16.103 -7.065 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -1.409 -17.240 -6.973 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -0.107 -15.076 -4.163 1.00 0.00 H new ATOM 0 HG22 ILE A 42 0.839 -16.368 -3.387 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.383 -15.672 -4.931 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -2.229 -14.953 -7.228 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.723 -15.619 -5.653 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -1.372 -14.464 -5.747 1.00 0.00 H new ATOM 343 N THR A 43 -1.123 -20.100 -5.167 1.00 0.00 N ATOM 344 CA THR A 43 -2.021 -21.198 -5.579 1.00 0.00 C ATOM 345 C THR A 43 -3.242 -21.214 -4.632 1.00 0.00 C ATOM 346 O THR A 43 -3.126 -20.799 -3.476 1.00 0.00 O ATOM 347 CB THR A 43 -1.275 -22.589 -5.531 1.00 0.00 C ATOM 348 OG1 THR A 43 -0.029 -22.502 -6.240 1.00 0.00 O ATOM 349 CG2 THR A 43 -2.109 -23.736 -6.143 1.00 0.00 C ATOM 0 H THR A 43 -1.155 -19.906 -4.166 1.00 0.00 H new ATOM 0 HA THR A 43 -2.344 -21.033 -6.607 1.00 0.00 H new ATOM 0 HB THR A 43 -1.109 -22.817 -4.478 1.00 0.00 H new ATOM 0 HG1 THR A 43 0.429 -23.368 -6.205 1.00 0.00 H new ATOM 0 HG21 THR A 43 -1.546 -24.667 -6.082 1.00 0.00 H new ATOM 0 HG22 THR A 43 -3.044 -23.840 -5.592 1.00 0.00 H new ATOM 0 HG23 THR A 43 -2.326 -23.511 -7.187 1.00 0.00 H new ATOM 357 N GLY A 44 -4.407 -21.663 -5.129 1.00 0.00 N ATOM 358 CA GLY A 44 -5.607 -21.793 -4.299 1.00 0.00 C ATOM 359 C GLY A 44 -6.874 -21.739 -5.118 1.00 0.00 C ATOM 360 O GLY A 44 -6.884 -21.163 -6.211 1.00 0.00 O ATOM 0 H GLY A 44 -4.539 -21.941 -6.102 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -5.569 -22.736 -3.753 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -5.622 -20.995 -3.557 1.00 0.00 H new ATOM 364 N ARG A 45 -7.950 -22.364 -4.597 1.00 0.00 N ATOM 365 CA ARG A 45 -9.287 -22.316 -5.221 1.00 0.00 C ATOM 366 C ARG A 45 -10.165 -21.233 -4.570 1.00 0.00 C ATOM 367 O ARG A 45 -11.338 -21.079 -4.926 1.00 0.00 O ATOM 368 CB ARG A 45 -9.974 -23.711 -5.179 1.00 0.00 C ATOM 369 CG ARG A 45 -10.391 -24.184 -3.781 1.00 0.00 C ATOM 370 CD ARG A 45 -11.074 -25.562 -3.788 1.00 0.00 C ATOM 371 NE ARG A 45 -11.669 -25.876 -2.477 1.00 0.00 N ATOM 372 CZ ARG A 45 -11.048 -26.485 -1.452 1.00 0.00 C ATOM 373 NH1 ARG A 45 -9.782 -26.890 -1.552 1.00 0.00 N ATOM 374 NH2 ARG A 45 -11.706 -26.675 -0.321 1.00 0.00 N ATOM 0 H ARG A 45 -7.917 -22.912 -3.738 1.00 0.00 H new ATOM 0 HA ARG A 45 -9.159 -22.045 -6.269 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -10.858 -23.684 -5.816 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -9.295 -24.447 -5.608 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -9.510 -24.225 -3.140 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -11.069 -23.451 -3.344 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -11.849 -25.581 -4.554 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -10.346 -26.329 -4.051 1.00 0.00 H new ATOM 0 HE ARG A 45 -12.642 -25.606 -2.334 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -9.265 -26.740 -2.419 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -9.330 -27.350 -0.762 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -12.673 -26.361 -0.234 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -11.247 -27.136 0.465 1.00 0.00 H new ATOM 388 N PHE A 46 -9.583 -20.483 -3.618 1.00 0.00 N ATOM 389 CA PHE A 46 -10.248 -19.356 -2.942 1.00 0.00 C ATOM 390 C PHE A 46 -9.642 -18.040 -3.462 1.00 0.00 C ATOM 391 O PHE A 46 -8.798 -17.417 -2.801 1.00 0.00 O ATOM 392 CB PHE A 46 -10.098 -19.476 -1.400 1.00 0.00 C ATOM 393 CG PHE A 46 -10.706 -20.746 -0.814 1.00 0.00 C ATOM 394 CD1 PHE A 46 -9.950 -21.912 -0.690 1.00 0.00 C ATOM 395 CD2 PHE A 46 -12.033 -20.771 -0.389 1.00 0.00 C ATOM 396 CE1 PHE A 46 -10.504 -23.059 -0.162 1.00 0.00 C ATOM 397 CE2 PHE A 46 -12.584 -21.922 0.140 1.00 0.00 C ATOM 398 CZ PHE A 46 -11.819 -23.064 0.253 1.00 0.00 C ATOM 0 H PHE A 46 -8.629 -20.644 -3.294 1.00 0.00 H new ATOM 0 HA PHE A 46 -11.315 -19.370 -3.164 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -9.039 -19.441 -1.145 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -10.567 -18.611 -0.931 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -8.919 -21.916 -1.011 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -12.638 -19.880 -0.474 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -9.907 -23.955 -0.073 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -13.614 -21.928 0.465 1.00 0.00 H new ATOM 0 HZ PHE A 46 -12.250 -23.963 0.667 1.00 0.00 H new ATOM 408 N ASN A 47 -10.047 -17.661 -4.683 1.00 0.00 N ATOM 409 CA ASN A 47 -9.571 -16.442 -5.376 1.00 0.00 C ATOM 410 C ASN A 47 -10.420 -16.180 -6.632 1.00 0.00 C ATOM 411 O ASN A 47 -11.165 -17.051 -7.086 1.00 0.00 O ATOM 412 CB ASN A 47 -8.044 -16.534 -5.749 1.00 0.00 C ATOM 413 CG ASN A 47 -7.636 -17.840 -6.454 1.00 0.00 C ATOM 414 OD1 ASN A 47 -8.452 -18.514 -7.073 1.00 0.00 O ATOM 415 ND2 ASN A 47 -6.361 -18.199 -6.376 1.00 0.00 N ATOM 0 H ASN A 47 -10.723 -18.195 -5.229 1.00 0.00 H new ATOM 0 HA ASN A 47 -9.685 -15.605 -4.687 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -7.789 -15.693 -6.394 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -7.454 -16.428 -4.839 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -6.042 -19.051 -6.837 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -5.700 -17.623 -5.855 1.00 0.00 H new ATOM 422 N ALA A 48 -10.321 -14.954 -7.150 1.00 0.00 N ATOM 423 CA ALA A 48 -10.884 -14.555 -8.456 1.00 0.00 C ATOM 424 C ALA A 48 -9.733 -14.075 -9.355 1.00 0.00 C ATOM 425 O ALA A 48 -8.596 -13.996 -8.886 1.00 0.00 O ATOM 426 CB ALA A 48 -11.951 -13.461 -8.271 1.00 0.00 C ATOM 0 H ALA A 48 -9.840 -14.192 -6.671 1.00 0.00 H new ATOM 0 HA ALA A 48 -11.377 -15.404 -8.929 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -12.355 -13.179 -9.243 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -12.755 -13.840 -7.640 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -11.499 -12.589 -7.799 1.00 0.00 H new ATOM 432 N ILE A 49 -10.017 -13.753 -10.638 1.00 0.00 N ATOM 433 CA ILE A 49 -8.974 -13.276 -11.589 1.00 0.00 C ATOM 434 C ILE A 49 -8.321 -11.976 -11.069 1.00 0.00 C ATOM 435 O ILE A 49 -7.092 -11.863 -11.034 1.00 0.00 O ATOM 436 CB ILE A 49 -9.525 -13.101 -13.067 1.00 0.00 C ATOM 437 CG1 ILE A 49 -8.416 -12.600 -14.068 1.00 0.00 C ATOM 438 CG2 ILE A 49 -10.751 -12.170 -13.110 1.00 0.00 C ATOM 439 CD1 ILE A 49 -7.241 -13.547 -14.270 1.00 0.00 C ATOM 0 H ILE A 49 -10.952 -13.813 -11.041 1.00 0.00 H new ATOM 0 HA ILE A 49 -8.208 -14.050 -11.642 1.00 0.00 H new ATOM 0 HB ILE A 49 -9.836 -14.093 -13.394 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -8.882 -12.415 -15.036 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -8.033 -11.644 -13.710 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -11.100 -12.075 -14.138 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -11.547 -12.588 -12.494 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -10.475 -11.187 -12.728 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -6.537 -13.107 -14.976 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -6.741 -13.715 -13.316 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -7.603 -14.497 -14.662 1.00 0.00 H new ATOM 451 N GLY A 50 -9.162 -11.047 -10.582 1.00 0.00 N ATOM 452 CA GLY A 50 -8.697 -9.769 -10.045 1.00 0.00 C ATOM 453 C GLY A 50 -7.970 -9.909 -8.712 1.00 0.00 C ATOM 454 O GLY A 50 -6.945 -9.261 -8.485 1.00 0.00 O ATOM 0 H GLY A 50 -10.175 -11.165 -10.552 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -8.030 -9.299 -10.768 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -9.550 -9.103 -9.918 1.00 0.00 H new ATOM 458 N ASP A 51 -8.508 -10.785 -7.839 1.00 0.00 N ATOM 459 CA ASP A 51 -7.983 -11.006 -6.467 1.00 0.00 C ATOM 460 C ASP A 51 -6.688 -11.828 -6.468 1.00 0.00 C ATOM 461 O ASP A 51 -5.883 -11.727 -5.532 1.00 0.00 O ATOM 462 CB ASP A 51 -9.038 -11.694 -5.573 1.00 0.00 C ATOM 463 CG ASP A 51 -10.276 -10.814 -5.350 1.00 0.00 C ATOM 464 OD1 ASP A 51 -10.152 -9.756 -4.701 1.00 0.00 O ATOM 465 OD2 ASP A 51 -11.372 -11.159 -5.836 1.00 0.00 O ATOM 0 H ASP A 51 -9.319 -11.362 -8.061 1.00 0.00 H new ATOM 0 HA ASP A 51 -7.756 -10.021 -6.058 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -9.342 -12.635 -6.032 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -8.591 -11.939 -4.610 1.00 0.00 H new ATOM 470 N ALA A 52 -6.498 -12.647 -7.517 1.00 0.00 N ATOM 471 CA ALA A 52 -5.261 -13.422 -7.716 1.00 0.00 C ATOM 472 C ALA A 52 -4.136 -12.475 -8.142 1.00 0.00 C ATOM 473 O ALA A 52 -3.018 -12.558 -7.635 1.00 0.00 O ATOM 474 CB ALA A 52 -5.463 -14.534 -8.753 1.00 0.00 C ATOM 0 H ALA A 52 -7.195 -12.790 -8.248 1.00 0.00 H new ATOM 0 HA ALA A 52 -4.990 -13.903 -6.776 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -4.533 -15.088 -8.878 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -6.246 -15.211 -8.412 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.754 -14.094 -9.707 1.00 0.00 H new ATOM 480 N VAL A 53 -4.469 -11.550 -9.066 1.00 0.00 N ATOM 481 CA VAL A 53 -3.552 -10.479 -9.485 1.00 0.00 C ATOM 482 C VAL A 53 -3.252 -9.529 -8.295 1.00 0.00 C ATOM 483 O VAL A 53 -2.134 -9.041 -8.158 1.00 0.00 O ATOM 484 CB VAL A 53 -4.112 -9.685 -10.727 1.00 0.00 C ATOM 485 CG1 VAL A 53 -3.203 -8.493 -11.109 1.00 0.00 C ATOM 486 CG2 VAL A 53 -4.304 -10.626 -11.946 1.00 0.00 C ATOM 0 H VAL A 53 -5.374 -11.527 -9.537 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.616 -10.941 -9.800 1.00 0.00 H new ATOM 0 HB VAL A 53 -5.083 -9.283 -10.437 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -3.626 -7.974 -11.969 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.134 -7.804 -10.267 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.208 -8.860 -11.360 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.691 -10.054 -12.790 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -3.346 -11.070 -12.217 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.010 -11.416 -11.688 1.00 0.00 H new ATOM 496 N SER A 54 -4.252 -9.341 -7.409 1.00 0.00 N ATOM 497 CA SER A 54 -4.119 -8.507 -6.195 1.00 0.00 C ATOM 498 C SER A 54 -3.147 -9.146 -5.180 1.00 0.00 C ATOM 499 O SER A 54 -2.329 -8.451 -4.569 1.00 0.00 O ATOM 500 CB SER A 54 -5.506 -8.286 -5.545 1.00 0.00 C ATOM 501 OG SER A 54 -5.420 -7.473 -4.383 1.00 0.00 O ATOM 0 H SER A 54 -5.175 -9.763 -7.515 1.00 0.00 H new ATOM 0 HA SER A 54 -3.707 -7.542 -6.491 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.176 -7.819 -6.267 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.942 -9.250 -5.283 1.00 0.00 H new ATOM 0 HG SER A 54 -6.314 -7.354 -4.000 1.00 0.00 H new ATOM 507 N ALA A 55 -3.238 -10.478 -5.025 1.00 0.00 N ATOM 508 CA ALA A 55 -2.407 -11.237 -4.072 1.00 0.00 C ATOM 509 C ALA A 55 -0.964 -11.395 -4.589 1.00 0.00 C ATOM 510 O ALA A 55 -0.004 -11.347 -3.808 1.00 0.00 O ATOM 511 CB ALA A 55 -3.042 -12.609 -3.803 1.00 0.00 C ATOM 0 H ALA A 55 -3.888 -11.059 -5.555 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.360 -10.679 -3.137 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -2.423 -13.164 -3.098 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -4.038 -12.473 -3.382 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -3.116 -13.165 -4.738 1.00 0.00 H new ATOM 517 N VAL A 56 -0.820 -11.575 -5.914 1.00 0.00 N ATOM 518 CA VAL A 56 0.494 -11.800 -6.550 1.00 0.00 C ATOM 519 C VAL A 56 1.238 -10.453 -6.739 1.00 0.00 C ATOM 520 O VAL A 56 2.467 -10.413 -6.713 1.00 0.00 O ATOM 521 CB VAL A 56 0.343 -12.612 -7.904 1.00 0.00 C ATOM 522 CG1 VAL A 56 -0.137 -11.741 -9.074 1.00 0.00 C ATOM 523 CG2 VAL A 56 1.626 -13.398 -8.264 1.00 0.00 C ATOM 0 H VAL A 56 -1.601 -11.569 -6.570 1.00 0.00 H new ATOM 0 HA VAL A 56 1.105 -12.416 -5.890 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.443 -13.345 -7.723 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.221 -12.353 -9.972 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -1.110 -11.313 -8.834 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.579 -10.938 -9.247 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.472 -13.937 -9.199 1.00 0.00 H new ATOM 0 HG22 VAL A 56 2.458 -12.703 -8.379 1.00 0.00 H new ATOM 0 HG23 VAL A 56 1.853 -14.108 -7.469 1.00 0.00 H new ATOM 533 N SER A 57 0.480 -9.341 -6.898 1.00 0.00 N ATOM 534 CA SER A 57 1.066 -7.978 -6.906 1.00 0.00 C ATOM 535 C SER A 57 1.547 -7.618 -5.499 1.00 0.00 C ATOM 536 O SER A 57 2.624 -7.040 -5.329 1.00 0.00 O ATOM 537 CB SER A 57 0.050 -6.920 -7.406 1.00 0.00 C ATOM 538 OG SER A 57 -1.099 -6.856 -6.580 1.00 0.00 O ATOM 0 H SER A 57 -0.532 -9.360 -7.022 1.00 0.00 H new ATOM 0 HA SER A 57 1.910 -7.977 -7.596 1.00 0.00 H new ATOM 0 HB2 SER A 57 0.530 -5.942 -7.436 1.00 0.00 H new ATOM 0 HB3 SER A 57 -0.250 -7.159 -8.426 1.00 0.00 H new ATOM 0 HG SER A 57 -1.701 -7.598 -6.799 1.00 0.00 H new ATOM 544 N ARG A 58 0.724 -7.990 -4.491 1.00 0.00 N ATOM 545 CA ARG A 58 1.054 -7.818 -3.070 1.00 0.00 C ATOM 546 C ARG A 58 2.381 -8.508 -2.742 1.00 0.00 C ATOM 547 O ARG A 58 3.259 -7.909 -2.118 1.00 0.00 O ATOM 548 CB ARG A 58 -0.064 -8.380 -2.143 1.00 0.00 C ATOM 549 CG ARG A 58 0.314 -8.359 -0.646 1.00 0.00 C ATOM 550 CD ARG A 58 -0.685 -9.064 0.272 1.00 0.00 C ATOM 551 NE ARG A 58 -0.119 -9.187 1.629 1.00 0.00 N ATOM 552 CZ ARG A 58 -0.762 -8.949 2.778 1.00 0.00 C ATOM 553 NH1 ARG A 58 -2.033 -8.557 2.778 1.00 0.00 N ATOM 554 NH2 ARG A 58 -0.107 -9.078 3.918 1.00 0.00 N ATOM 0 H ARG A 58 -0.188 -8.418 -4.648 1.00 0.00 H new ATOM 0 HA ARG A 58 1.142 -6.747 -2.888 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -0.974 -7.798 -2.289 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -0.290 -9.404 -2.439 1.00 0.00 H new ATOM 0 HG2 ARG A 58 1.291 -8.826 -0.525 1.00 0.00 H new ATOM 0 HG3 ARG A 58 0.414 -7.322 -0.324 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -1.619 -8.503 0.307 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -0.922 -10.052 -0.124 1.00 0.00 H new ATOM 0 HE ARG A 58 0.855 -9.481 1.698 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -2.529 -8.435 1.895 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -2.512 -8.379 3.661 1.00 0.00 H new ATOM 0 HH21 ARG A 58 0.875 -9.355 3.914 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -0.583 -8.900 4.803 1.00 0.00 H new ATOM 568 N ARG A 59 2.514 -9.767 -3.196 1.00 0.00 N ATOM 569 CA ARG A 59 3.711 -10.576 -2.935 1.00 0.00 C ATOM 570 C ARG A 59 4.950 -9.944 -3.590 1.00 0.00 C ATOM 571 O ARG A 59 6.012 -9.889 -2.976 1.00 0.00 O ATOM 572 CB ARG A 59 3.532 -12.044 -3.408 1.00 0.00 C ATOM 573 CG ARG A 59 4.732 -12.960 -3.064 1.00 0.00 C ATOM 574 CD ARG A 59 4.995 -13.046 -1.549 1.00 0.00 C ATOM 575 NE ARG A 59 6.327 -13.595 -1.246 1.00 0.00 N ATOM 576 CZ ARG A 59 6.690 -14.146 -0.084 1.00 0.00 C ATOM 577 NH1 ARG A 59 5.805 -14.342 0.882 1.00 0.00 N ATOM 578 NH2 ARG A 59 7.945 -14.501 0.102 1.00 0.00 N ATOM 0 H ARG A 59 1.802 -10.245 -3.748 1.00 0.00 H new ATOM 0 HA ARG A 59 3.859 -10.596 -1.855 1.00 0.00 H new ATOM 0 HB2 ARG A 59 2.631 -12.455 -2.954 1.00 0.00 H new ATOM 0 HB3 ARG A 59 3.378 -12.052 -4.487 1.00 0.00 H new ATOM 0 HG2 ARG A 59 4.544 -13.960 -3.454 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.625 -12.585 -3.564 1.00 0.00 H new ATOM 0 HD2 ARG A 59 4.905 -12.053 -1.109 1.00 0.00 H new ATOM 0 HD3 ARG A 59 4.232 -13.671 -1.084 1.00 0.00 H new ATOM 0 HE ARG A 59 7.030 -13.551 -1.983 1.00 0.00 H new ATOM 0 HH11 ARG A 59 4.831 -14.071 0.744 1.00 0.00 H new ATOM 0 HH12 ARG A 59 6.097 -14.764 1.764 1.00 0.00 H new ATOM 0 HH21 ARG A 59 8.631 -14.355 -0.638 1.00 0.00 H new ATOM 0 HH22 ARG A 59 8.230 -14.922 0.986 1.00 0.00 H new ATOM 592 N ALA A 60 4.781 -9.438 -4.822 1.00 0.00 N ATOM 593 CA ALA A 60 5.853 -8.730 -5.555 1.00 0.00 C ATOM 594 C ALA A 60 6.302 -7.455 -4.797 1.00 0.00 C ATOM 595 O ALA A 60 7.481 -7.097 -4.793 1.00 0.00 O ATOM 596 CB ALA A 60 5.371 -8.386 -6.966 1.00 0.00 C ATOM 0 H ALA A 60 3.904 -9.505 -5.339 1.00 0.00 H new ATOM 0 HA ALA A 60 6.720 -9.387 -5.627 1.00 0.00 H new ATOM 0 HB1 ALA A 60 6.163 -7.864 -7.504 1.00 0.00 H new ATOM 0 HB2 ALA A 60 5.115 -9.303 -7.497 1.00 0.00 H new ATOM 0 HB3 ALA A 60 4.491 -7.745 -6.904 1.00 0.00 H new ATOM 602 N ASP A 61 5.335 -6.802 -4.136 1.00 0.00 N ATOM 603 CA ASP A 61 5.577 -5.611 -3.289 1.00 0.00 C ATOM 604 C ASP A 61 6.322 -6.008 -1.993 1.00 0.00 C ATOM 605 O ASP A 61 7.156 -5.254 -1.483 1.00 0.00 O ATOM 606 CB ASP A 61 4.218 -4.938 -2.966 1.00 0.00 C ATOM 607 CG ASP A 61 4.324 -3.635 -2.150 1.00 0.00 C ATOM 608 OD1 ASP A 61 4.941 -2.668 -2.636 1.00 0.00 O ATOM 609 OD2 ASP A 61 3.769 -3.559 -1.030 1.00 0.00 O ATOM 0 H ASP A 61 4.355 -7.082 -4.170 1.00 0.00 H new ATOM 0 HA ASP A 61 6.208 -4.902 -3.825 1.00 0.00 H new ATOM 0 HB2 ASP A 61 3.702 -4.724 -3.902 1.00 0.00 H new ATOM 0 HB3 ASP A 61 3.599 -5.646 -2.416 1.00 0.00 H new ATOM 614 N GLU A 62 6.023 -7.224 -1.489 1.00 0.00 N ATOM 615 CA GLU A 62 6.678 -7.804 -0.292 1.00 0.00 C ATOM 616 C GLU A 62 8.082 -8.345 -0.648 1.00 0.00 C ATOM 617 O GLU A 62 8.919 -8.549 0.239 1.00 0.00 O ATOM 618 CB GLU A 62 5.767 -8.915 0.316 1.00 0.00 C ATOM 619 CG GLU A 62 4.401 -8.386 0.805 1.00 0.00 C ATOM 620 CD GLU A 62 3.420 -9.480 1.270 1.00 0.00 C ATOM 621 OE1 GLU A 62 3.073 -10.366 0.459 1.00 0.00 O ATOM 622 OE2 GLU A 62 2.957 -9.442 2.436 1.00 0.00 O ATOM 0 H GLU A 62 5.318 -7.835 -1.901 1.00 0.00 H new ATOM 0 HA GLU A 62 6.814 -7.026 0.459 1.00 0.00 H new ATOM 0 HB2 GLU A 62 5.602 -9.690 -0.433 1.00 0.00 H new ATOM 0 HB3 GLU A 62 6.287 -9.385 1.151 1.00 0.00 H new ATOM 0 HG2 GLU A 62 4.568 -7.692 1.629 1.00 0.00 H new ATOM 0 HG3 GLU A 62 3.936 -7.818 -0.001 1.00 0.00 H new ATOM 629 N GLU A 63 8.324 -8.569 -1.955 1.00 0.00 N ATOM 630 CA GLU A 63 9.663 -8.897 -2.490 1.00 0.00 C ATOM 631 C GLU A 63 10.509 -7.626 -2.660 1.00 0.00 C ATOM 632 O GLU A 63 11.746 -7.684 -2.651 1.00 0.00 O ATOM 633 CB GLU A 63 9.558 -9.629 -3.858 1.00 0.00 C ATOM 634 CG GLU A 63 8.851 -10.989 -3.811 1.00 0.00 C ATOM 635 CD GLU A 63 9.519 -11.998 -2.863 1.00 0.00 C ATOM 636 OE1 GLU A 63 10.582 -12.545 -3.225 1.00 0.00 O ATOM 637 OE2 GLU A 63 8.988 -12.256 -1.755 1.00 0.00 O ATOM 0 H GLU A 63 7.598 -8.528 -2.670 1.00 0.00 H new ATOM 0 HA GLU A 63 10.146 -9.559 -1.771 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.027 -8.984 -4.559 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.563 -9.772 -4.255 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.817 -10.841 -3.500 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.824 -11.410 -4.816 1.00 0.00 H new ATOM 644 N GLY A 64 9.823 -6.482 -2.833 1.00 0.00 N ATOM 645 CA GLY A 64 10.480 -5.196 -3.077 1.00 0.00 C ATOM 646 C GLY A 64 10.549 -4.846 -4.564 1.00 0.00 C ATOM 647 O GLY A 64 11.129 -3.821 -4.937 1.00 0.00 O ATOM 0 H GLY A 64 8.805 -6.428 -2.807 1.00 0.00 H new ATOM 0 HA2 GLY A 64 9.942 -4.410 -2.547 1.00 0.00 H new ATOM 0 HA3 GLY A 64 11.489 -5.224 -2.666 1.00 0.00 H new ATOM 651 N ALA A 65 9.943 -5.705 -5.409 1.00 0.00 N ATOM 652 CA ALA A 65 9.903 -5.531 -6.871 1.00 0.00 C ATOM 653 C ALA A 65 9.059 -4.315 -7.264 1.00 0.00 C ATOM 654 O ALA A 65 8.004 -4.065 -6.669 1.00 0.00 O ATOM 655 CB ALA A 65 9.343 -6.796 -7.540 1.00 0.00 C ATOM 0 H ALA A 65 9.463 -6.547 -5.090 1.00 0.00 H new ATOM 0 HA ALA A 65 10.923 -5.362 -7.216 1.00 0.00 H new ATOM 0 HB1 ALA A 65 9.318 -6.656 -8.621 1.00 0.00 H new ATOM 0 HB2 ALA A 65 9.980 -7.647 -7.299 1.00 0.00 H new ATOM 0 HB3 ALA A 65 8.333 -6.984 -7.175 1.00 0.00 H new ATOM 661 N ALA A 66 9.542 -3.572 -8.268 1.00 0.00 N ATOM 662 CA ALA A 66 8.836 -2.413 -8.842 1.00 0.00 C ATOM 663 C ALA A 66 7.587 -2.870 -9.598 1.00 0.00 C ATOM 664 O ALA A 66 6.538 -2.224 -9.557 1.00 0.00 O ATOM 665 CB ALA A 66 9.771 -1.655 -9.794 1.00 0.00 C ATOM 0 H ALA A 66 10.442 -3.758 -8.711 1.00 0.00 H new ATOM 0 HA ALA A 66 8.532 -1.751 -8.031 1.00 0.00 H new ATOM 0 HB1 ALA A 66 9.245 -0.799 -10.216 1.00 0.00 H new ATOM 0 HB2 ALA A 66 10.646 -1.308 -9.245 1.00 0.00 H new ATOM 0 HB3 ALA A 66 10.087 -2.319 -10.599 1.00 0.00 H new ATOM 671 N SER A 67 7.734 -4.004 -10.295 1.00 0.00 N ATOM 672 CA SER A 67 6.698 -4.562 -11.163 1.00 0.00 C ATOM 673 C SER A 67 6.694 -6.100 -11.094 1.00 0.00 C ATOM 674 O SER A 67 7.548 -6.709 -10.442 1.00 0.00 O ATOM 675 CB SER A 67 6.927 -4.081 -12.618 1.00 0.00 C ATOM 676 OG SER A 67 6.943 -2.658 -12.716 1.00 0.00 O ATOM 0 H SER A 67 8.587 -4.563 -10.269 1.00 0.00 H new ATOM 0 HA SER A 67 5.724 -4.212 -10.820 1.00 0.00 H new ATOM 0 HB2 SER A 67 7.872 -4.480 -12.987 1.00 0.00 H new ATOM 0 HB3 SER A 67 6.141 -4.479 -13.259 1.00 0.00 H new ATOM 0 HG SER A 67 7.248 -2.395 -13.610 1.00 0.00 H new ATOM 682 N PHE A 68 5.702 -6.702 -11.763 1.00 0.00 N ATOM 683 CA PHE A 68 5.591 -8.161 -11.931 1.00 0.00 C ATOM 684 C PHE A 68 4.854 -8.456 -13.249 1.00 0.00 C ATOM 685 O PHE A 68 4.180 -7.580 -13.789 1.00 0.00 O ATOM 686 CB PHE A 68 4.829 -8.806 -10.728 1.00 0.00 C ATOM 687 CG PHE A 68 3.309 -8.614 -10.777 1.00 0.00 C ATOM 688 CD1 PHE A 68 2.727 -7.393 -10.452 1.00 0.00 C ATOM 689 CD2 PHE A 68 2.469 -9.647 -11.205 1.00 0.00 C ATOM 690 CE1 PHE A 68 1.359 -7.220 -10.540 1.00 0.00 C ATOM 691 CE2 PHE A 68 1.108 -9.464 -11.296 1.00 0.00 C ATOM 692 CZ PHE A 68 0.551 -8.257 -10.964 1.00 0.00 C ATOM 0 H PHE A 68 4.944 -6.185 -12.209 1.00 0.00 H new ATOM 0 HA PHE A 68 6.591 -8.594 -11.961 1.00 0.00 H new ATOM 0 HB2 PHE A 68 5.049 -9.873 -10.702 1.00 0.00 H new ATOM 0 HB3 PHE A 68 5.209 -8.379 -9.800 1.00 0.00 H new ATOM 0 HD1 PHE A 68 3.350 -6.573 -10.128 1.00 0.00 H new ATOM 0 HD2 PHE A 68 2.895 -10.604 -11.468 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.919 -6.269 -10.276 1.00 0.00 H new ATOM 0 HE2 PHE A 68 0.477 -10.274 -11.630 1.00 0.00 H new ATOM 0 HZ PHE A 68 -0.518 -8.117 -11.034 1.00 0.00 H new ATOM 702 N TYR A 69 4.945 -9.702 -13.728 1.00 0.00 N ATOM 703 CA TYR A 69 4.151 -10.185 -14.865 1.00 0.00 C ATOM 704 C TYR A 69 3.819 -11.665 -14.663 1.00 0.00 C ATOM 705 O TYR A 69 4.723 -12.490 -14.489 1.00 0.00 O ATOM 706 CB TYR A 69 4.904 -9.982 -16.198 1.00 0.00 C ATOM 707 CG TYR A 69 4.179 -10.554 -17.432 1.00 0.00 C ATOM 708 CD1 TYR A 69 2.988 -9.986 -17.892 1.00 0.00 C ATOM 709 CD2 TYR A 69 4.681 -11.663 -18.128 1.00 0.00 C ATOM 710 CE1 TYR A 69 2.326 -10.500 -18.993 1.00 0.00 C ATOM 711 CE2 TYR A 69 4.022 -12.175 -19.230 1.00 0.00 C ATOM 712 CZ TYR A 69 2.849 -11.594 -19.657 1.00 0.00 C ATOM 713 OH TYR A 69 2.199 -12.107 -20.761 1.00 0.00 O ATOM 0 H TYR A 69 5.572 -10.405 -13.338 1.00 0.00 H new ATOM 0 HA TYR A 69 3.228 -9.608 -14.914 1.00 0.00 H new ATOM 0 HB2 TYR A 69 5.068 -8.915 -16.350 1.00 0.00 H new ATOM 0 HB3 TYR A 69 5.887 -10.447 -16.121 1.00 0.00 H new ATOM 0 HD1 TYR A 69 2.576 -9.130 -17.378 1.00 0.00 H new ATOM 0 HD2 TYR A 69 5.599 -12.126 -17.797 1.00 0.00 H new ATOM 0 HE1 TYR A 69 1.405 -10.049 -19.332 1.00 0.00 H new ATOM 0 HE2 TYR A 69 4.426 -13.028 -19.755 1.00 0.00 H new ATOM 0 HH TYR A 69 2.700 -12.874 -21.109 1.00 0.00 H new ATOM 723 N VAL A 70 2.515 -11.983 -14.700 1.00 0.00 N ATOM 724 CA VAL A 70 2.024 -13.360 -14.627 1.00 0.00 C ATOM 725 C VAL A 70 2.386 -14.096 -15.928 1.00 0.00 C ATOM 726 O VAL A 70 1.946 -13.704 -17.017 1.00 0.00 O ATOM 727 CB VAL A 70 0.473 -13.413 -14.370 1.00 0.00 C ATOM 728 CG1 VAL A 70 -0.025 -14.874 -14.280 1.00 0.00 C ATOM 729 CG2 VAL A 70 0.087 -12.610 -13.098 1.00 0.00 C ATOM 0 H VAL A 70 1.773 -11.288 -14.782 1.00 0.00 H new ATOM 0 HA VAL A 70 2.503 -13.854 -13.782 1.00 0.00 H new ATOM 0 HB VAL A 70 -0.022 -12.944 -15.220 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.100 -14.882 -14.102 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.192 -15.390 -15.215 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.482 -15.381 -13.459 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.991 -12.665 -12.946 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.597 -13.032 -12.232 1.00 0.00 H new ATOM 0 HG23 VAL A 70 0.383 -11.568 -13.221 1.00 0.00 H new ATOM 739 N VAL A 71 3.213 -15.140 -15.804 1.00 0.00 N ATOM 740 CA VAL A 71 3.729 -15.899 -16.951 1.00 0.00 C ATOM 741 C VAL A 71 2.816 -17.096 -17.263 1.00 0.00 C ATOM 742 O VAL A 71 2.643 -17.472 -18.431 1.00 0.00 O ATOM 743 CB VAL A 71 5.215 -16.360 -16.690 1.00 0.00 C ATOM 744 CG1 VAL A 71 5.340 -17.231 -15.416 1.00 0.00 C ATOM 745 CG2 VAL A 71 5.830 -17.066 -17.930 1.00 0.00 C ATOM 0 H VAL A 71 3.545 -15.484 -14.903 1.00 0.00 H new ATOM 0 HA VAL A 71 3.733 -15.248 -17.825 1.00 0.00 H new ATOM 0 HB VAL A 71 5.796 -15.455 -16.514 1.00 0.00 H new ATOM 0 HG11 VAL A 71 6.380 -17.525 -15.277 1.00 0.00 H new ATOM 0 HG12 VAL A 71 5.005 -16.659 -14.550 1.00 0.00 H new ATOM 0 HG13 VAL A 71 4.722 -18.123 -15.523 1.00 0.00 H new ATOM 0 HG21 VAL A 71 6.854 -17.367 -17.707 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.238 -17.947 -18.178 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.830 -16.380 -18.777 1.00 0.00 H new ATOM 755 N ASP A 72 2.184 -17.662 -16.215 1.00 0.00 N ATOM 756 CA ASP A 72 1.323 -18.848 -16.356 1.00 0.00 C ATOM 757 C ASP A 72 0.209 -18.846 -15.299 1.00 0.00 C ATOM 758 O ASP A 72 0.432 -18.486 -14.138 1.00 0.00 O ATOM 759 CB ASP A 72 2.169 -20.140 -16.231 1.00 0.00 C ATOM 760 CG ASP A 72 1.369 -21.443 -16.452 1.00 0.00 C ATOM 761 OD1 ASP A 72 0.776 -21.972 -15.482 1.00 0.00 O ATOM 762 OD2 ASP A 72 1.351 -21.955 -17.585 1.00 0.00 O ATOM 0 H ASP A 72 2.256 -17.313 -15.259 1.00 0.00 H new ATOM 0 HA ASP A 72 0.861 -18.817 -17.343 1.00 0.00 H new ATOM 0 HB2 ASP A 72 2.983 -20.099 -16.954 1.00 0.00 H new ATOM 0 HB3 ASP A 72 2.624 -20.169 -15.241 1.00 0.00 H new ATOM 767 N THR A 73 -0.989 -19.243 -15.744 1.00 0.00 N ATOM 768 CA THR A 73 -2.140 -19.545 -14.893 1.00 0.00 C ATOM 769 C THR A 73 -2.703 -20.905 -15.342 1.00 0.00 C ATOM 770 O THR A 73 -3.203 -21.030 -16.468 1.00 0.00 O ATOM 771 CB THR A 73 -3.235 -18.426 -14.988 1.00 0.00 C ATOM 772 OG1 THR A 73 -3.550 -18.158 -16.368 1.00 0.00 O ATOM 773 CG2 THR A 73 -2.788 -17.124 -14.300 1.00 0.00 C ATOM 0 H THR A 73 -1.188 -19.366 -16.737 1.00 0.00 H new ATOM 0 HA THR A 73 -1.830 -19.585 -13.849 1.00 0.00 H new ATOM 0 HB THR A 73 -4.121 -18.793 -14.470 1.00 0.00 H new ATOM 0 HG1 THR A 73 -3.638 -19.005 -16.854 1.00 0.00 H new ATOM 0 HG21 THR A 73 -3.576 -16.376 -14.390 1.00 0.00 H new ATOM 0 HG22 THR A 73 -2.591 -17.319 -13.246 1.00 0.00 H new ATOM 0 HG23 THR A 73 -1.880 -16.754 -14.777 1.00 0.00 H new ATOM 781 N SER A 74 -2.555 -21.928 -14.487 1.00 0.00 N ATOM 782 CA SER A 74 -3.035 -23.296 -14.769 1.00 0.00 C ATOM 783 C SER A 74 -3.526 -23.942 -13.469 1.00 0.00 C ATOM 784 O SER A 74 -2.857 -23.835 -12.432 1.00 0.00 O ATOM 785 CB SER A 74 -1.919 -24.161 -15.412 1.00 0.00 C ATOM 786 OG SER A 74 -2.423 -25.423 -15.831 1.00 0.00 O ATOM 0 H SER A 74 -2.099 -21.834 -13.579 1.00 0.00 H new ATOM 0 HA SER A 74 -3.859 -23.236 -15.480 1.00 0.00 H new ATOM 0 HB2 SER A 74 -1.494 -23.634 -16.267 1.00 0.00 H new ATOM 0 HB3 SER A 74 -1.111 -24.309 -14.695 1.00 0.00 H new ATOM 0 HG SER A 74 -1.699 -25.947 -16.234 1.00 0.00 H new ATOM 792 N GLU A 75 -4.691 -24.621 -13.526 1.00 0.00 N ATOM 793 CA GLU A 75 -5.321 -25.202 -12.336 1.00 0.00 C ATOM 794 C GLU A 75 -4.822 -26.616 -12.055 1.00 0.00 C ATOM 795 O GLU A 75 -4.301 -27.314 -12.940 1.00 0.00 O ATOM 796 CB GLU A 75 -6.876 -25.153 -12.419 1.00 0.00 C ATOM 797 CG GLU A 75 -7.519 -26.160 -13.384 1.00 0.00 C ATOM 798 CD GLU A 75 -9.050 -26.092 -13.382 1.00 0.00 C ATOM 799 OE1 GLU A 75 -9.677 -26.537 -12.388 1.00 0.00 O ATOM 800 OE2 GLU A 75 -9.637 -25.579 -14.361 1.00 0.00 O ATOM 0 H GLU A 75 -5.211 -24.777 -14.390 1.00 0.00 H new ATOM 0 HA GLU A 75 -5.021 -24.582 -11.491 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -7.281 -25.323 -11.421 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -7.175 -24.148 -12.718 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -7.153 -25.973 -14.394 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -7.205 -27.168 -13.113 1.00 0.00 H new ATOM 807 N PHE A 76 -4.980 -26.994 -10.787 1.00 0.00 N ATOM 808 CA PHE A 76 -4.558 -28.282 -10.227 1.00 0.00 C ATOM 809 C PHE A 76 -5.637 -28.771 -9.247 1.00 0.00 C ATOM 810 O PHE A 76 -6.704 -28.148 -9.140 1.00 0.00 O ATOM 811 CB PHE A 76 -3.173 -28.129 -9.527 1.00 0.00 C ATOM 812 CG PHE A 76 -2.012 -27.889 -10.494 1.00 0.00 C ATOM 813 CD1 PHE A 76 -1.512 -28.935 -11.271 1.00 0.00 C ATOM 814 CD2 PHE A 76 -1.435 -26.626 -10.637 1.00 0.00 C ATOM 815 CE1 PHE A 76 -0.476 -28.723 -12.163 1.00 0.00 C ATOM 816 CE2 PHE A 76 -0.398 -26.418 -11.529 1.00 0.00 C ATOM 817 CZ PHE A 76 0.083 -27.466 -12.289 1.00 0.00 C ATOM 0 H PHE A 76 -5.422 -26.390 -10.094 1.00 0.00 H new ATOM 0 HA PHE A 76 -4.444 -29.022 -11.019 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -3.223 -27.299 -8.822 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -2.969 -29.029 -8.946 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -1.939 -29.922 -11.175 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -1.802 -25.801 -10.044 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -0.104 -29.541 -12.762 1.00 0.00 H new ATOM 0 HE2 PHE A 76 0.036 -25.434 -11.631 1.00 0.00 H new ATOM 0 HZ PHE A 76 0.896 -27.303 -12.981 1.00 0.00 H new ATOM 827 N GLY A 77 -5.352 -29.892 -8.554 1.00 0.00 N ATOM 828 CA GLY A 77 -6.280 -30.495 -7.592 1.00 0.00 C ATOM 829 C GLY A 77 -7.600 -30.883 -8.246 1.00 0.00 C ATOM 830 O GLY A 77 -7.694 -31.941 -8.881 1.00 0.00 O ATOM 0 H GLY A 77 -4.472 -30.399 -8.649 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -5.821 -31.378 -7.149 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -6.469 -29.793 -6.780 1.00 0.00 H new ATOM 834 N ASN A 78 -8.592 -29.979 -8.131 1.00 0.00 N ATOM 835 CA ASN A 78 -9.910 -30.108 -8.777 1.00 0.00 C ATOM 836 C ASN A 78 -10.716 -28.810 -8.559 1.00 0.00 C ATOM 837 O ASN A 78 -10.853 -28.352 -7.415 1.00 0.00 O ATOM 838 CB ASN A 78 -10.703 -31.325 -8.209 1.00 0.00 C ATOM 839 CG ASN A 78 -12.065 -31.549 -8.889 1.00 0.00 C ATOM 840 OD1 ASN A 78 -12.235 -31.287 -10.082 1.00 0.00 O ATOM 841 ND2 ASN A 78 -13.043 -32.028 -8.131 1.00 0.00 N ATOM 0 H ASN A 78 -8.498 -29.127 -7.578 1.00 0.00 H new ATOM 0 HA ASN A 78 -9.756 -30.275 -9.843 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -10.099 -32.225 -8.321 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -10.860 -31.178 -7.141 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -13.967 -32.189 -8.532 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -12.871 -32.235 -7.147 1.00 0.00 H new ATOM 848 N SER A 79 -11.219 -28.227 -9.662 1.00 0.00 N ATOM 849 CA SER A 79 -12.188 -27.111 -9.648 1.00 0.00 C ATOM 850 C SER A 79 -11.605 -25.811 -9.033 1.00 0.00 C ATOM 851 O SER A 79 -11.719 -25.565 -7.821 1.00 0.00 O ATOM 852 CB SER A 79 -13.511 -27.525 -8.938 1.00 0.00 C ATOM 853 OG SER A 79 -14.086 -28.675 -9.544 1.00 0.00 O ATOM 0 H SER A 79 -10.961 -28.521 -10.604 1.00 0.00 H new ATOM 0 HA SER A 79 -12.413 -26.885 -10.690 1.00 0.00 H new ATOM 0 HB2 SER A 79 -13.313 -27.727 -7.885 1.00 0.00 H new ATOM 0 HB3 SER A 79 -14.220 -26.698 -8.976 1.00 0.00 H new ATOM 0 HG SER A 79 -13.403 -29.371 -9.639 1.00 0.00 H new ATOM 859 N GLY A 80 -10.928 -25.022 -9.881 1.00 0.00 N ATOM 860 CA GLY A 80 -10.574 -23.636 -9.560 1.00 0.00 C ATOM 861 C GLY A 80 -9.310 -23.435 -8.736 1.00 0.00 C ATOM 862 O GLY A 80 -9.032 -22.308 -8.345 1.00 0.00 O ATOM 0 H GLY A 80 -10.613 -25.327 -10.802 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -10.464 -23.086 -10.495 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -11.408 -23.186 -9.022 1.00 0.00 H new ATOM 866 N ASN A 81 -8.551 -24.508 -8.439 1.00 0.00 N ATOM 867 CA ASN A 81 -7.235 -24.396 -7.753 1.00 0.00 C ATOM 868 C ASN A 81 -6.145 -23.933 -8.755 1.00 0.00 C ATOM 869 O ASN A 81 -5.191 -24.662 -9.049 1.00 0.00 O ATOM 870 CB ASN A 81 -6.865 -25.757 -7.091 1.00 0.00 C ATOM 871 CG ASN A 81 -5.560 -25.742 -6.283 1.00 0.00 C ATOM 872 OD1 ASN A 81 -5.220 -24.749 -5.647 1.00 0.00 O ATOM 873 ND2 ASN A 81 -4.820 -26.845 -6.312 1.00 0.00 N ATOM 0 H ASN A 81 -8.821 -25.466 -8.661 1.00 0.00 H new ATOM 0 HA ASN A 81 -7.300 -23.645 -6.966 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -7.680 -26.060 -6.434 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -6.786 -26.515 -7.870 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -3.941 -26.883 -5.796 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -5.131 -27.654 -6.850 1.00 0.00 H new ATOM 880 N TRP A 82 -6.303 -22.713 -9.304 1.00 0.00 N ATOM 881 CA TRP A 82 -5.422 -22.211 -10.376 1.00 0.00 C ATOM 882 C TRP A 82 -4.179 -21.516 -9.801 1.00 0.00 C ATOM 883 O TRP A 82 -4.259 -20.485 -9.127 1.00 0.00 O ATOM 884 CB TRP A 82 -6.187 -21.358 -11.436 1.00 0.00 C ATOM 885 CG TRP A 82 -6.883 -20.119 -10.928 1.00 0.00 C ATOM 886 CD1 TRP A 82 -7.871 -20.051 -10.002 1.00 0.00 C ATOM 887 CD2 TRP A 82 -6.662 -18.784 -11.367 1.00 0.00 C ATOM 888 NE1 TRP A 82 -8.261 -18.755 -9.818 1.00 0.00 N ATOM 889 CE2 TRP A 82 -7.533 -17.959 -10.645 1.00 0.00 C ATOM 890 CE3 TRP A 82 -5.805 -18.204 -12.298 1.00 0.00 C ATOM 891 CZ2 TRP A 82 -7.567 -16.592 -10.819 1.00 0.00 C ATOM 892 CZ3 TRP A 82 -5.841 -16.840 -12.470 1.00 0.00 C ATOM 893 CH2 TRP A 82 -6.718 -16.049 -11.736 1.00 0.00 C ATOM 0 H TRP A 82 -7.032 -22.057 -9.023 1.00 0.00 H new ATOM 0 HA TRP A 82 -5.057 -23.076 -10.930 1.00 0.00 H new ATOM 0 HB2 TRP A 82 -5.479 -21.059 -12.209 1.00 0.00 H new ATOM 0 HB3 TRP A 82 -6.931 -21.995 -11.914 1.00 0.00 H new ATOM 0 HD1 TRP A 82 -8.290 -20.901 -9.484 1.00 0.00 H new ATOM 0 HE1 TRP A 82 -8.980 -18.437 -9.168 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -5.125 -18.814 -12.874 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 -8.243 -15.973 -10.248 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -5.178 -16.376 -13.186 1.00 0.00 H new ATOM 0 HH2 TRP A 82 -6.726 -14.981 -11.896 1.00 0.00 H new ATOM 904 N ARG A 83 -3.042 -22.191 -10.030 1.00 0.00 N ATOM 905 CA ARG A 83 -1.705 -21.726 -9.692 1.00 0.00 C ATOM 906 C ARG A 83 -1.362 -20.519 -10.575 1.00 0.00 C ATOM 907 O ARG A 83 -1.269 -20.644 -11.802 1.00 0.00 O ATOM 908 CB ARG A 83 -0.719 -22.926 -9.884 1.00 0.00 C ATOM 909 CG ARG A 83 0.785 -22.682 -9.574 1.00 0.00 C ATOM 910 CD ARG A 83 1.565 -21.986 -10.714 1.00 0.00 C ATOM 911 NE ARG A 83 1.277 -22.572 -12.040 1.00 0.00 N ATOM 912 CZ ARG A 83 1.879 -23.643 -12.571 1.00 0.00 C ATOM 913 NH1 ARG A 83 2.880 -24.261 -11.946 1.00 0.00 N ATOM 914 NH2 ARG A 83 1.492 -24.082 -13.756 1.00 0.00 N ATOM 0 H ARG A 83 -3.038 -23.110 -10.473 1.00 0.00 H new ATOM 0 HA ARG A 83 -1.633 -21.393 -8.657 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -1.063 -23.746 -9.254 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -0.798 -23.263 -10.918 1.00 0.00 H new ATOM 0 HG2 ARG A 83 0.864 -22.075 -8.672 1.00 0.00 H new ATOM 0 HG3 ARG A 83 1.259 -23.639 -9.357 1.00 0.00 H new ATOM 0 HD2 ARG A 83 1.313 -20.926 -10.727 1.00 0.00 H new ATOM 0 HD3 ARG A 83 2.634 -22.057 -10.514 1.00 0.00 H new ATOM 0 HE ARG A 83 0.555 -22.120 -12.601 1.00 0.00 H new ATOM 0 HH11 ARG A 83 3.204 -23.920 -11.041 1.00 0.00 H new ATOM 0 HH12 ARG A 83 3.322 -25.075 -12.372 1.00 0.00 H new ATOM 0 HH21 ARG A 83 0.742 -23.605 -14.256 1.00 0.00 H new ATOM 0 HH22 ARG A 83 1.944 -24.897 -14.170 1.00 0.00 H new ATOM 928 N VAL A 84 -1.216 -19.357 -9.932 1.00 0.00 N ATOM 929 CA VAL A 84 -0.832 -18.105 -10.583 1.00 0.00 C ATOM 930 C VAL A 84 0.644 -17.851 -10.273 1.00 0.00 C ATOM 931 O VAL A 84 0.998 -17.517 -9.138 1.00 0.00 O ATOM 932 CB VAL A 84 -1.707 -16.907 -10.054 1.00 0.00 C ATOM 933 CG1 VAL A 84 -1.434 -15.587 -10.819 1.00 0.00 C ATOM 934 CG2 VAL A 84 -3.202 -17.279 -10.076 1.00 0.00 C ATOM 0 H VAL A 84 -1.364 -19.260 -8.927 1.00 0.00 H new ATOM 0 HA VAL A 84 -0.993 -18.182 -11.658 1.00 0.00 H new ATOM 0 HB VAL A 84 -1.415 -16.723 -9.020 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.064 -14.795 -10.414 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.386 -15.311 -10.706 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.661 -15.726 -11.876 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.791 -16.439 -9.707 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.504 -17.513 -11.097 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -3.370 -18.148 -9.439 1.00 0.00 H new ATOM 944 N VAL A 85 1.506 -18.040 -11.274 1.00 0.00 N ATOM 945 CA VAL A 85 2.947 -17.825 -11.125 1.00 0.00 C ATOM 946 C VAL A 85 3.356 -16.589 -11.936 1.00 0.00 C ATOM 947 O VAL A 85 2.938 -16.417 -13.090 1.00 0.00 O ATOM 948 CB VAL A 85 3.767 -19.108 -11.528 1.00 0.00 C ATOM 949 CG1 VAL A 85 3.552 -19.526 -12.997 1.00 0.00 C ATOM 950 CG2 VAL A 85 5.261 -18.950 -11.198 1.00 0.00 C ATOM 0 H VAL A 85 1.227 -18.345 -12.206 1.00 0.00 H new ATOM 0 HA VAL A 85 3.180 -17.641 -10.076 1.00 0.00 H new ATOM 0 HB VAL A 85 3.374 -19.923 -10.920 1.00 0.00 H new ATOM 0 HG11 VAL A 85 4.144 -20.416 -13.212 1.00 0.00 H new ATOM 0 HG12 VAL A 85 2.497 -19.743 -13.163 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.863 -18.715 -13.655 1.00 0.00 H new ATOM 0 HG21 VAL A 85 5.796 -19.854 -11.490 1.00 0.00 H new ATOM 0 HG22 VAL A 85 5.666 -18.097 -11.743 1.00 0.00 H new ATOM 0 HG23 VAL A 85 5.382 -18.787 -10.127 1.00 0.00 H new ATOM 960 N ALA A 86 4.153 -15.713 -11.308 1.00 0.00 N ATOM 961 CA ALA A 86 4.529 -14.416 -11.873 1.00 0.00 C ATOM 962 C ALA A 86 6.005 -14.119 -11.615 1.00 0.00 C ATOM 963 O ALA A 86 6.507 -14.337 -10.514 1.00 0.00 O ATOM 964 CB ALA A 86 3.657 -13.302 -11.274 1.00 0.00 C ATOM 0 H ALA A 86 4.556 -15.889 -10.388 1.00 0.00 H new ATOM 0 HA ALA A 86 4.367 -14.454 -12.950 1.00 0.00 H new ATOM 0 HB1 ALA A 86 3.947 -12.343 -11.703 1.00 0.00 H new ATOM 0 HB2 ALA A 86 2.609 -13.499 -11.500 1.00 0.00 H new ATOM 0 HB3 ALA A 86 3.795 -13.273 -10.193 1.00 0.00 H new ATOM 970 N ASP A 87 6.686 -13.621 -12.640 1.00 0.00 N ATOM 971 CA ASP A 87 8.047 -13.086 -12.518 1.00 0.00 C ATOM 972 C ASP A 87 8.000 -11.702 -11.854 1.00 0.00 C ATOM 973 O ASP A 87 7.058 -10.950 -12.085 1.00 0.00 O ATOM 974 CB ASP A 87 8.677 -12.983 -13.919 1.00 0.00 C ATOM 975 CG ASP A 87 8.894 -14.349 -14.585 1.00 0.00 C ATOM 976 OD1 ASP A 87 9.968 -14.958 -14.393 1.00 0.00 O ATOM 977 OD2 ASP A 87 7.990 -14.837 -15.296 1.00 0.00 O ATOM 0 H ASP A 87 6.312 -13.574 -13.588 1.00 0.00 H new ATOM 0 HA ASP A 87 8.651 -13.751 -11.901 1.00 0.00 H new ATOM 0 HB2 ASP A 87 8.035 -12.373 -14.555 1.00 0.00 H new ATOM 0 HB3 ASP A 87 9.634 -12.467 -13.843 1.00 0.00 H new ATOM 982 N VAL A 88 9.006 -11.370 -11.028 1.00 0.00 N ATOM 983 CA VAL A 88 9.091 -10.057 -10.354 1.00 0.00 C ATOM 984 C VAL A 88 10.313 -9.277 -10.867 1.00 0.00 C ATOM 985 O VAL A 88 11.441 -9.789 -10.889 1.00 0.00 O ATOM 986 CB VAL A 88 9.104 -10.193 -8.785 1.00 0.00 C ATOM 987 CG1 VAL A 88 7.782 -10.799 -8.289 1.00 0.00 C ATOM 988 CG2 VAL A 88 10.307 -11.005 -8.252 1.00 0.00 C ATOM 0 H VAL A 88 9.780 -11.997 -10.808 1.00 0.00 H new ATOM 0 HA VAL A 88 8.192 -9.493 -10.603 1.00 0.00 H new ATOM 0 HB VAL A 88 9.214 -9.184 -8.387 1.00 0.00 H new ATOM 0 HG11 VAL A 88 7.807 -10.886 -7.203 1.00 0.00 H new ATOM 0 HG12 VAL A 88 6.954 -10.154 -8.582 1.00 0.00 H new ATOM 0 HG13 VAL A 88 7.647 -11.787 -8.730 1.00 0.00 H new ATOM 0 HG21 VAL A 88 10.255 -11.060 -7.165 1.00 0.00 H new ATOM 0 HG22 VAL A 88 10.279 -12.012 -8.668 1.00 0.00 H new ATOM 0 HG23 VAL A 88 11.235 -10.516 -8.547 1.00 0.00 H new ATOM 998 N TYR A 89 10.063 -8.028 -11.291 1.00 0.00 N ATOM 999 CA TYR A 89 11.025 -7.194 -12.026 1.00 0.00 C ATOM 1000 C TYR A 89 11.522 -6.056 -11.127 1.00 0.00 C ATOM 1001 O TYR A 89 10.732 -5.423 -10.412 1.00 0.00 O ATOM 1002 CB TYR A 89 10.353 -6.632 -13.306 1.00 0.00 C ATOM 1003 CG TYR A 89 9.885 -7.717 -14.294 1.00 0.00 C ATOM 1004 CD1 TYR A 89 8.710 -8.440 -14.071 1.00 0.00 C ATOM 1005 CD2 TYR A 89 10.619 -8.023 -15.442 1.00 0.00 C ATOM 1006 CE1 TYR A 89 8.291 -9.421 -14.948 1.00 0.00 C ATOM 1007 CE2 TYR A 89 10.197 -9.002 -16.324 1.00 0.00 C ATOM 1008 CZ TYR A 89 9.036 -9.701 -16.072 1.00 0.00 C ATOM 1009 OH TYR A 89 8.617 -10.686 -16.950 1.00 0.00 O ATOM 0 H TYR A 89 9.170 -7.562 -11.129 1.00 0.00 H new ATOM 0 HA TYR A 89 11.883 -7.798 -12.320 1.00 0.00 H new ATOM 0 HB2 TYR A 89 9.496 -6.024 -13.017 1.00 0.00 H new ATOM 0 HB3 TYR A 89 11.056 -5.972 -13.813 1.00 0.00 H new ATOM 0 HD1 TYR A 89 8.117 -8.227 -13.194 1.00 0.00 H new ATOM 0 HD2 TYR A 89 11.533 -7.485 -15.645 1.00 0.00 H new ATOM 0 HE1 TYR A 89 7.380 -9.968 -14.753 1.00 0.00 H new ATOM 0 HE2 TYR A 89 10.777 -9.218 -17.209 1.00 0.00 H new ATOM 0 HH TYR A 89 9.255 -10.757 -17.691 1.00 0.00 H new ATOM 1019 N LYS A 90 12.835 -5.803 -11.189 1.00 0.00 N ATOM 1020 CA LYS A 90 13.524 -4.813 -10.346 1.00 0.00 C ATOM 1021 C LYS A 90 13.499 -3.441 -11.062 1.00 0.00 C ATOM 1022 O LYS A 90 13.467 -3.389 -12.296 1.00 0.00 O ATOM 1023 CB LYS A 90 14.986 -5.321 -10.077 1.00 0.00 C ATOM 1024 CG LYS A 90 15.630 -4.891 -8.730 1.00 0.00 C ATOM 1025 CD LYS A 90 16.140 -3.435 -8.713 1.00 0.00 C ATOM 1026 CE LYS A 90 17.273 -3.181 -9.728 1.00 0.00 C ATOM 1027 NZ LYS A 90 18.495 -3.973 -9.418 1.00 0.00 N ATOM 0 H LYS A 90 13.459 -6.286 -11.835 1.00 0.00 H new ATOM 0 HA LYS A 90 13.027 -4.691 -9.384 1.00 0.00 H new ATOM 0 HB2 LYS A 90 14.983 -6.410 -10.122 1.00 0.00 H new ATOM 0 HB3 LYS A 90 15.624 -4.970 -10.888 1.00 0.00 H new ATOM 0 HG2 LYS A 90 14.898 -5.018 -7.933 1.00 0.00 H new ATOM 0 HG3 LYS A 90 16.462 -5.559 -8.508 1.00 0.00 H new ATOM 0 HD2 LYS A 90 15.310 -2.763 -8.928 1.00 0.00 H new ATOM 0 HD3 LYS A 90 16.496 -3.192 -7.712 1.00 0.00 H new ATOM 0 HE2 LYS A 90 16.924 -3.432 -10.730 1.00 0.00 H new ATOM 0 HE3 LYS A 90 17.522 -2.120 -9.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 19.257 -3.708 -10.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 18.796 -3.779 -8.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 18.287 -4.987 -9.521 1.00 0.00 H new ATOM 1041 N ALA A 91 13.481 -2.347 -10.277 1.00 0.00 N ATOM 1042 CA ALA A 91 13.482 -0.968 -10.805 1.00 0.00 C ATOM 1043 C ALA A 91 14.873 -0.600 -11.390 1.00 0.00 C ATOM 1044 O ALA A 91 15.060 -0.704 -12.620 1.00 0.00 O ATOM 1045 CB ALA A 91 13.051 0.022 -9.697 1.00 0.00 C ATOM 1046 OXT ALA A 91 15.779 -0.220 -10.616 1.00 0.00 O ATOM 0 H ALA A 91 13.465 -2.394 -9.258 1.00 0.00 H new ATOM 0 HA ALA A 91 12.761 -0.901 -11.620 1.00 0.00 H new ATOM 0 HB1 ALA A 91 13.054 1.037 -10.095 1.00 0.00 H new ATOM 0 HB2 ALA A 91 12.048 -0.230 -9.354 1.00 0.00 H new ATOM 0 HB3 ALA A 91 13.747 -0.042 -8.861 1.00 0.00 H new TER 1052 ALA A 91