USER MOD reduce.3.24.130724 H: found=0, std=0, add=711, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 719 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 12 ASN : amide:sc= 0.967 K(o=2.1,f=-3.4) USER MOD Set 1.2: A 16 LYS NZ :NH3+ 177:sc= 1.14 (180deg=0) USER MOD Set 1.3: A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 10 GLN : amide:sc= 0 K(o=0.59,f=-0.23) USER MOD Set 2.2: A 26 CYS SG : rot 72:sc= 0.59 USER MOD Set 3.1: A 13 SER OG : rot 180:sc= 0.365 USER MOD Set 3.2: A 17 GLN : amide:sc= 0.0388 K(o=0.4,f=-0.42) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 GLN : amide:sc= -0.197 K(o=-0.2,f=-3.8!) USER MOD Single : A 8 LYS NZ :NH3+ 166:sc= 3.63 (180deg=3.05) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=-0.066) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= 0.663 K(o=0.66,f=-0.075) USER MOD Single : A 32 THR OG1 : rot 97:sc= 1.24 USER MOD Single : A 34 GLN : amide:sc= 1.88 K(o=1.9,f=0) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 41 TYR OH : rot 24:sc= 0.954 USER MOD Single : A 42 SER OG : rot -43:sc= 1.98 USER MOD Single : A 43 ASN : amide:sc= -0.268 X(o=-0.27,f=-0.74) USER MOD Single : A 44 LYS NZ :NH3+ 170:sc= -0.0134 (180deg=-0.13) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -0.0794 X(o=-0.079,f=-0.079) USER MOD Single : A 59 GLN : amide:sc= -0.364 X(o=-0.36,f=-0.32) USER MOD Single : A 60 MET CE :methyl -176:sc= 0 (180deg=-0.00772) USER MOD Single : A 61 CYS SG : rot 74:sc= -0.286 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 63 GLN : amide:sc= -0.418 X(o=-0.42,f=-0.013) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot -56:sc= 1.97 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.0344) USER MOD Single : A 81 GLN : amide:sc= -0.138 X(o=-0.14,f=-0.14) USER MOD Single : A 82 TYR OH : rot 130:sc= 0.49 USER MOD Single : A 88 GLN : amide:sc= 0.954 K(o=0.95,f=0) USER MOD ----------------------------------------------------------------- ATOM 30 N GLN A 3 15.715 9.503 -11.480 1.00 0.00 N ATOM 31 CA GLN A 3 16.323 9.546 -10.146 1.00 0.00 C ATOM 32 C GLN A 3 15.262 9.684 -9.033 1.00 0.00 C ATOM 33 O GLN A 3 15.383 9.067 -7.973 1.00 0.00 O ATOM 34 CB GLN A 3 17.333 10.706 -10.137 1.00 0.00 C ATOM 35 CG GLN A 3 18.264 10.740 -8.920 1.00 0.00 C ATOM 36 CD GLN A 3 19.180 11.959 -8.998 1.00 0.00 C ATOM 37 OE1 GLN A 3 20.146 11.996 -9.748 1.00 0.00 O ATOM 38 NE2 GLN A 3 18.885 13.024 -8.287 1.00 0.00 N ATOM 0 HA GLN A 3 16.836 8.608 -9.935 1.00 0.00 H new ATOM 0 HB2 GLN A 3 17.941 10.647 -11.040 1.00 0.00 H new ATOM 0 HB3 GLN A 3 16.784 11.647 -10.183 1.00 0.00 H new ATOM 0 HG2 GLN A 3 17.676 10.775 -8.003 1.00 0.00 H new ATOM 0 HG3 GLN A 3 18.860 9.828 -8.882 1.00 0.00 H new ATOM 0 HE21 GLN A 3 18.083 13.010 -7.657 1.00 0.00 H new ATOM 0 HE22 GLN A 3 19.458 13.864 -8.365 1.00 0.00 H new ATOM 47 N PHE A 4 14.174 10.418 -9.288 1.00 0.00 N ATOM 48 CA PHE A 4 13.051 10.558 -8.354 1.00 0.00 C ATOM 49 C PHE A 4 12.087 9.359 -8.364 1.00 0.00 C ATOM 50 O PHE A 4 11.325 9.168 -7.414 1.00 0.00 O ATOM 51 CB PHE A 4 12.377 11.932 -8.548 1.00 0.00 C ATOM 52 CG PHE A 4 10.862 11.969 -8.485 1.00 0.00 C ATOM 53 CD1 PHE A 4 10.107 11.677 -9.636 1.00 0.00 C ATOM 54 CD2 PHE A 4 10.205 12.322 -7.292 1.00 0.00 C ATOM 55 CE1 PHE A 4 8.706 11.768 -9.603 1.00 0.00 C ATOM 56 CE2 PHE A 4 8.799 12.381 -7.248 1.00 0.00 C ATOM 57 CZ PHE A 4 8.055 12.125 -8.412 1.00 0.00 C ATOM 0 H PHE A 4 14.047 10.937 -10.157 1.00 0.00 H new ATOM 0 HA PHE A 4 13.445 10.537 -7.338 1.00 0.00 H new ATOM 0 HB2 PHE A 4 12.765 12.610 -7.788 1.00 0.00 H new ATOM 0 HB3 PHE A 4 12.686 12.328 -9.516 1.00 0.00 H new ATOM 0 HD1 PHE A 4 10.606 11.382 -10.547 1.00 0.00 H new ATOM 0 HD2 PHE A 4 10.781 12.548 -6.407 1.00 0.00 H new ATOM 0 HE1 PHE A 4 8.130 11.563 -10.493 1.00 0.00 H new ATOM 0 HE2 PHE A 4 8.295 12.622 -6.324 1.00 0.00 H new ATOM 0 HZ PHE A 4 6.978 12.203 -8.390 1.00 0.00 H new ATOM 67 N GLU A 5 12.144 8.498 -9.379 1.00 0.00 N ATOM 68 CA GLU A 5 11.487 7.192 -9.346 1.00 0.00 C ATOM 69 C GLU A 5 12.280 6.187 -8.491 1.00 0.00 C ATOM 70 O GLU A 5 11.714 5.611 -7.556 1.00 0.00 O ATOM 71 CB GLU A 5 11.210 6.696 -10.771 1.00 0.00 C ATOM 72 CG GLU A 5 10.323 7.633 -11.622 1.00 0.00 C ATOM 73 CD GLU A 5 8.936 7.946 -11.034 1.00 0.00 C ATOM 74 OE1 GLU A 5 8.287 8.925 -11.470 1.00 0.00 O ATOM 75 OE2 GLU A 5 8.462 7.257 -10.103 1.00 0.00 O ATOM 0 H GLU A 5 12.646 8.686 -10.247 1.00 0.00 H new ATOM 0 HA GLU A 5 10.518 7.295 -8.857 1.00 0.00 H new ATOM 0 HB2 GLU A 5 12.162 6.555 -11.283 1.00 0.00 H new ATOM 0 HB3 GLU A 5 10.731 5.718 -10.714 1.00 0.00 H new ATOM 0 HG2 GLU A 5 10.856 8.572 -11.771 1.00 0.00 H new ATOM 0 HG3 GLU A 5 10.188 7.183 -12.606 1.00 0.00 H new ATOM 83 N LYS A 6 13.605 6.052 -8.675 1.00 0.00 N ATOM 84 CA LYS A 6 14.393 5.128 -7.833 1.00 0.00 C ATOM 85 C LYS A 6 14.393 5.536 -6.353 1.00 0.00 C ATOM 86 O LYS A 6 14.306 4.663 -5.489 1.00 0.00 O ATOM 87 CB LYS A 6 15.785 4.832 -8.437 1.00 0.00 C ATOM 88 CG LYS A 6 16.882 5.903 -8.288 1.00 0.00 C ATOM 89 CD LYS A 6 17.667 5.824 -6.965 1.00 0.00 C ATOM 90 CE LYS A 6 18.648 6.998 -6.851 1.00 0.00 C ATOM 91 NZ LYS A 6 19.391 6.989 -5.568 1.00 0.00 N ATOM 0 H LYS A 6 14.144 6.556 -9.380 1.00 0.00 H new ATOM 0 HA LYS A 6 13.886 4.163 -7.838 1.00 0.00 H new ATOM 0 HB2 LYS A 6 16.155 3.911 -7.987 1.00 0.00 H new ATOM 0 HB3 LYS A 6 15.652 4.636 -9.501 1.00 0.00 H new ATOM 0 HG2 LYS A 6 17.582 5.808 -9.119 1.00 0.00 H new ATOM 0 HG3 LYS A 6 16.424 6.889 -8.367 1.00 0.00 H new ATOM 0 HD2 LYS A 6 16.975 5.838 -6.123 1.00 0.00 H new ATOM 0 HD3 LYS A 6 18.212 4.881 -6.914 1.00 0.00 H new ATOM 0 HE2 LYS A 6 19.356 6.958 -7.679 1.00 0.00 H new ATOM 0 HE3 LYS A 6 18.101 7.936 -6.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 20.041 7.800 -5.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 18.719 7.054 -4.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 19.935 6.106 -5.488 1.00 0.00 H new ATOM 105 N GLN A 7 14.400 6.839 -6.034 1.00 0.00 N ATOM 106 CA GLN A 7 14.404 7.313 -4.644 1.00 0.00 C ATOM 107 C GLN A 7 13.075 7.076 -3.892 1.00 0.00 C ATOM 108 O GLN A 7 13.093 7.013 -2.664 1.00 0.00 O ATOM 109 CB GLN A 7 14.901 8.777 -4.586 1.00 0.00 C ATOM 110 CG GLN A 7 13.792 9.832 -4.505 1.00 0.00 C ATOM 111 CD GLN A 7 14.305 11.270 -4.537 1.00 0.00 C ATOM 112 OE1 GLN A 7 14.211 11.969 -5.538 1.00 0.00 O ATOM 113 NE2 GLN A 7 14.803 11.801 -3.444 1.00 0.00 N ATOM 0 H GLN A 7 14.403 7.588 -6.727 1.00 0.00 H new ATOM 0 HA GLN A 7 15.113 6.697 -4.091 1.00 0.00 H new ATOM 0 HB2 GLN A 7 15.554 8.890 -3.720 1.00 0.00 H new ATOM 0 HB3 GLN A 7 15.507 8.975 -5.470 1.00 0.00 H new ATOM 0 HG2 GLN A 7 13.101 9.684 -5.335 1.00 0.00 H new ATOM 0 HG3 GLN A 7 13.224 9.679 -3.587 1.00 0.00 H new ATOM 0 HE21 GLN A 7 14.891 11.238 -2.598 1.00 0.00 H new ATOM 0 HE22 GLN A 7 15.102 12.776 -3.441 1.00 0.00 H new ATOM 122 N LYS A 8 11.933 6.905 -4.588 1.00 0.00 N ATOM 123 CA LYS A 8 10.664 6.495 -3.943 1.00 0.00 C ATOM 124 C LYS A 8 10.560 4.974 -3.781 1.00 0.00 C ATOM 125 O LYS A 8 10.129 4.507 -2.733 1.00 0.00 O ATOM 126 CB LYS A 8 9.427 7.125 -4.621 1.00 0.00 C ATOM 127 CG LYS A 8 9.156 6.648 -6.055 1.00 0.00 C ATOM 128 CD LYS A 8 7.798 7.087 -6.617 1.00 0.00 C ATOM 129 CE LYS A 8 7.657 8.594 -6.857 1.00 0.00 C ATOM 130 NZ LYS A 8 8.533 9.041 -7.962 1.00 0.00 N ATOM 0 H LYS A 8 11.861 7.044 -5.596 1.00 0.00 H new ATOM 0 HA LYS A 8 10.680 6.900 -2.931 1.00 0.00 H new ATOM 0 HB2 LYS A 8 8.549 6.910 -4.011 1.00 0.00 H new ATOM 0 HB3 LYS A 8 9.550 8.208 -4.632 1.00 0.00 H new ATOM 0 HG2 LYS A 8 9.945 7.024 -6.706 1.00 0.00 H new ATOM 0 HG3 LYS A 8 9.213 5.560 -6.081 1.00 0.00 H new ATOM 0 HD2 LYS A 8 7.625 6.566 -7.559 1.00 0.00 H new ATOM 0 HD3 LYS A 8 7.016 6.769 -5.928 1.00 0.00 H new ATOM 0 HE2 LYS A 8 6.620 8.833 -7.092 1.00 0.00 H new ATOM 0 HE3 LYS A 8 7.910 9.136 -5.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 8.253 9.997 -8.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 9.521 9.056 -7.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 8.442 8.386 -8.764 1.00 0.00 H new ATOM 144 N GLU A 9 11.033 4.202 -4.760 1.00 0.00 N ATOM 145 CA GLU A 9 11.057 2.728 -4.702 1.00 0.00 C ATOM 146 C GLU A 9 11.973 2.216 -3.573 1.00 0.00 C ATOM 147 O GLU A 9 11.658 1.211 -2.925 1.00 0.00 O ATOM 148 CB GLU A 9 11.523 2.183 -6.065 1.00 0.00 C ATOM 149 CG GLU A 9 10.574 2.523 -7.232 1.00 0.00 C ATOM 150 CD GLU A 9 9.608 1.392 -7.605 1.00 0.00 C ATOM 151 OE1 GLU A 9 9.074 0.689 -6.711 1.00 0.00 O ATOM 152 OE2 GLU A 9 9.346 1.205 -8.818 1.00 0.00 O ATOM 0 H GLU A 9 11.415 4.580 -5.627 1.00 0.00 H new ATOM 0 HA GLU A 9 10.051 2.370 -4.483 1.00 0.00 H new ATOM 0 HB2 GLU A 9 12.513 2.583 -6.286 1.00 0.00 H new ATOM 0 HB3 GLU A 9 11.625 1.100 -5.996 1.00 0.00 H new ATOM 0 HG2 GLU A 9 9.995 3.408 -6.969 1.00 0.00 H new ATOM 0 HG3 GLU A 9 11.170 2.780 -8.107 1.00 0.00 H new ATOM 160 N GLN A 10 13.051 2.952 -3.275 1.00 0.00 N ATOM 161 CA GLN A 10 13.915 2.730 -2.109 1.00 0.00 C ATOM 162 C GLN A 10 13.127 2.769 -0.789 1.00 0.00 C ATOM 163 O GLN A 10 13.341 1.923 0.077 1.00 0.00 O ATOM 164 CB GLN A 10 15.004 3.815 -2.091 1.00 0.00 C ATOM 165 CG GLN A 10 16.093 3.545 -1.037 1.00 0.00 C ATOM 166 CD GLN A 10 16.976 4.756 -0.747 1.00 0.00 C ATOM 167 OE1 GLN A 10 16.755 5.872 -1.201 1.00 0.00 O ATOM 168 NE2 GLN A 10 18.021 4.597 0.025 1.00 0.00 N ATOM 0 H GLN A 10 13.354 3.737 -3.852 1.00 0.00 H new ATOM 0 HA GLN A 10 14.357 1.737 -2.194 1.00 0.00 H new ATOM 0 HB2 GLN A 10 15.465 3.878 -3.077 1.00 0.00 H new ATOM 0 HB3 GLN A 10 14.544 4.783 -1.892 1.00 0.00 H new ATOM 0 HG2 GLN A 10 15.618 3.222 -0.111 1.00 0.00 H new ATOM 0 HG3 GLN A 10 16.721 2.721 -1.378 1.00 0.00 H new ATOM 0 HE21 GLN A 10 18.230 3.679 0.418 1.00 0.00 H new ATOM 0 HE22 GLN A 10 18.626 5.391 0.234 1.00 0.00 H new ATOM 177 N GLY A 11 12.197 3.719 -0.627 1.00 0.00 N ATOM 178 CA GLY A 11 11.431 3.901 0.612 1.00 0.00 C ATOM 179 C GLY A 11 10.629 2.658 1.016 1.00 0.00 C ATOM 180 O GLY A 11 10.666 2.242 2.174 1.00 0.00 O ATOM 0 H GLY A 11 11.953 4.388 -1.358 1.00 0.00 H new ATOM 0 HA2 GLY A 11 12.115 4.162 1.419 1.00 0.00 H new ATOM 0 HA3 GLY A 11 10.748 4.742 0.489 1.00 0.00 H new ATOM 184 N ASN A 12 9.969 2.002 0.057 1.00 0.00 N ATOM 185 CA ASN A 12 9.228 0.759 0.297 1.00 0.00 C ATOM 186 C ASN A 12 10.158 -0.397 0.723 1.00 0.00 C ATOM 187 O ASN A 12 9.821 -1.173 1.620 1.00 0.00 O ATOM 188 CB ASN A 12 8.447 0.432 -0.986 1.00 0.00 C ATOM 189 CG ASN A 12 7.495 -0.747 -0.853 1.00 0.00 C ATOM 190 OD1 ASN A 12 7.164 -1.217 0.226 1.00 0.00 O ATOM 191 ND2 ASN A 12 7.029 -1.270 -1.956 1.00 0.00 N ATOM 0 H ASN A 12 9.933 2.319 -0.912 1.00 0.00 H new ATOM 0 HA ASN A 12 8.537 0.891 1.130 1.00 0.00 H new ATOM 0 HB2 ASN A 12 7.878 1.312 -1.286 1.00 0.00 H new ATOM 0 HB3 ASN A 12 9.157 0.223 -1.787 1.00 0.00 H new ATOM 0 HD21 ASN A 12 6.393 -2.066 -1.914 1.00 0.00 H new ATOM 0 HD22 ASN A 12 7.302 -0.882 -2.859 1.00 0.00 H new ATOM 198 N SER A 13 11.359 -0.478 0.139 1.00 0.00 N ATOM 199 CA SER A 13 12.379 -1.445 0.562 1.00 0.00 C ATOM 200 C SER A 13 12.901 -1.145 1.975 1.00 0.00 C ATOM 201 O SER A 13 12.957 -2.051 2.801 1.00 0.00 O ATOM 202 CB SER A 13 13.533 -1.465 -0.445 1.00 0.00 C ATOM 203 OG SER A 13 14.506 -2.414 -0.055 1.00 0.00 O ATOM 0 H SER A 13 11.650 0.120 -0.634 1.00 0.00 H new ATOM 0 HA SER A 13 11.913 -2.430 0.592 1.00 0.00 H new ATOM 0 HB2 SER A 13 13.155 -1.709 -1.438 1.00 0.00 H new ATOM 0 HB3 SER A 13 13.985 -0.475 -0.510 1.00 0.00 H new ATOM 0 HG SER A 13 15.238 -2.419 -0.707 1.00 0.00 H new ATOM 209 N LEU A 14 13.218 0.113 2.303 1.00 0.00 N ATOM 210 CA LEU A 14 13.707 0.512 3.633 1.00 0.00 C ATOM 211 C LEU A 14 12.719 0.157 4.756 1.00 0.00 C ATOM 212 O LEU A 14 13.144 -0.308 5.813 1.00 0.00 O ATOM 213 CB LEU A 14 14.013 2.022 3.627 1.00 0.00 C ATOM 214 CG LEU A 14 15.315 2.416 2.909 1.00 0.00 C ATOM 215 CD1 LEU A 14 15.348 3.934 2.728 1.00 0.00 C ATOM 216 CD2 LEU A 14 16.557 2.014 3.705 1.00 0.00 C ATOM 0 H LEU A 14 13.142 0.892 1.648 1.00 0.00 H new ATOM 0 HA LEU A 14 14.618 -0.049 3.841 1.00 0.00 H new ATOM 0 HB2 LEU A 14 13.182 2.544 3.154 1.00 0.00 H new ATOM 0 HB3 LEU A 14 14.064 2.372 4.658 1.00 0.00 H new ATOM 0 HG LEU A 14 15.329 1.894 1.952 1.00 0.00 H new ATOM 0 HD11 LEU A 14 16.269 4.220 2.219 1.00 0.00 H new ATOM 0 HD12 LEU A 14 14.491 4.248 2.131 1.00 0.00 H new ATOM 0 HD13 LEU A 14 15.307 4.418 3.704 1.00 0.00 H new ATOM 0 HD21 LEU A 14 17.452 2.313 3.159 1.00 0.00 H new ATOM 0 HD22 LEU A 14 16.543 2.509 4.676 1.00 0.00 H new ATOM 0 HD23 LEU A 14 16.563 0.934 3.849 1.00 0.00 H new ATOM 228 N PHE A 15 11.407 0.269 4.510 1.00 0.00 N ATOM 229 CA PHE A 15 10.383 -0.235 5.434 1.00 0.00 C ATOM 230 C PHE A 15 10.522 -1.739 5.717 1.00 0.00 C ATOM 231 O PHE A 15 10.420 -2.166 6.867 1.00 0.00 O ATOM 232 CB PHE A 15 8.980 0.095 4.902 1.00 0.00 C ATOM 233 CG PHE A 15 8.434 1.381 5.476 1.00 0.00 C ATOM 234 CD1 PHE A 15 7.967 1.388 6.799 1.00 0.00 C ATOM 235 CD2 PHE A 15 8.424 2.572 4.728 1.00 0.00 C ATOM 236 CE1 PHE A 15 7.539 2.586 7.387 1.00 0.00 C ATOM 237 CE2 PHE A 15 7.989 3.773 5.320 1.00 0.00 C ATOM 238 CZ PHE A 15 7.548 3.782 6.652 1.00 0.00 C ATOM 0 H PHE A 15 11.028 0.708 3.671 1.00 0.00 H new ATOM 0 HA PHE A 15 10.534 0.272 6.387 1.00 0.00 H new ATOM 0 HB2 PHE A 15 9.015 0.172 3.815 1.00 0.00 H new ATOM 0 HB3 PHE A 15 8.302 -0.724 5.142 1.00 0.00 H new ATOM 0 HD1 PHE A 15 7.937 0.469 7.365 1.00 0.00 H new ATOM 0 HD2 PHE A 15 8.750 2.565 3.699 1.00 0.00 H new ATOM 0 HE1 PHE A 15 7.200 2.589 8.412 1.00 0.00 H new ATOM 0 HE2 PHE A 15 7.995 4.689 4.748 1.00 0.00 H new ATOM 0 HZ PHE A 15 7.218 4.703 7.109 1.00 0.00 H new ATOM 248 N LYS A 16 10.828 -2.544 4.694 1.00 0.00 N ATOM 249 CA LYS A 16 11.090 -3.990 4.833 1.00 0.00 C ATOM 250 C LYS A 16 12.322 -4.292 5.710 1.00 0.00 C ATOM 251 O LYS A 16 12.220 -5.152 6.579 1.00 0.00 O ATOM 252 CB LYS A 16 11.147 -4.648 3.434 1.00 0.00 C ATOM 253 CG LYS A 16 9.971 -5.593 3.124 1.00 0.00 C ATOM 254 CD LYS A 16 8.558 -5.029 3.370 1.00 0.00 C ATOM 255 CE LYS A 16 8.268 -3.652 2.761 1.00 0.00 C ATOM 256 NZ LYS A 16 7.854 -3.742 1.345 1.00 0.00 N ATOM 0 H LYS A 16 10.903 -2.211 3.733 1.00 0.00 H new ATOM 0 HA LYS A 16 10.260 -4.442 5.375 1.00 0.00 H new ATOM 0 HB2 LYS A 16 11.175 -3.863 2.678 1.00 0.00 H new ATOM 0 HB3 LYS A 16 12.079 -5.207 3.347 1.00 0.00 H new ATOM 0 HG2 LYS A 16 10.041 -5.895 2.079 1.00 0.00 H new ATOM 0 HG3 LYS A 16 10.089 -6.494 3.725 1.00 0.00 H new ATOM 0 HD2 LYS A 16 7.831 -5.739 2.975 1.00 0.00 H new ATOM 0 HD3 LYS A 16 8.394 -4.970 4.446 1.00 0.00 H new ATOM 0 HE2 LYS A 16 7.483 -3.160 3.336 1.00 0.00 H new ATOM 0 HE3 LYS A 16 9.158 -3.028 2.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 7.620 -2.793 0.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 8.632 -4.140 0.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 7.019 -4.357 1.266 1.00 0.00 H new ATOM 270 N GLN A 17 13.407 -3.513 5.621 1.00 0.00 N ATOM 271 CA GLN A 17 14.583 -3.625 6.522 1.00 0.00 C ATOM 272 C GLN A 17 14.368 -3.006 7.925 1.00 0.00 C ATOM 273 O GLN A 17 15.303 -2.930 8.729 1.00 0.00 O ATOM 274 CB GLN A 17 15.856 -3.041 5.871 1.00 0.00 C ATOM 275 CG GLN A 17 16.446 -3.895 4.734 1.00 0.00 C ATOM 276 CD GLN A 17 15.601 -3.806 3.477 1.00 0.00 C ATOM 277 OE1 GLN A 17 14.744 -4.638 3.205 1.00 0.00 O ATOM 278 NE2 GLN A 17 15.735 -2.758 2.703 1.00 0.00 N ATOM 0 H GLN A 17 13.504 -2.779 4.920 1.00 0.00 H new ATOM 0 HA GLN A 17 14.716 -4.696 6.675 1.00 0.00 H new ATOM 0 HB2 GLN A 17 15.626 -2.050 5.481 1.00 0.00 H new ATOM 0 HB3 GLN A 17 16.616 -2.912 6.642 1.00 0.00 H new ATOM 0 HG2 GLN A 17 17.461 -3.562 4.516 1.00 0.00 H new ATOM 0 HG3 GLN A 17 16.514 -4.934 5.055 1.00 0.00 H new ATOM 0 HE21 GLN A 17 16.443 -2.055 2.914 1.00 0.00 H new ATOM 0 HE22 GLN A 17 15.131 -2.645 1.889 1.00 0.00 H new ATOM 287 N GLY A 18 13.160 -2.522 8.225 1.00 0.00 N ATOM 288 CA GLY A 18 12.829 -1.927 9.521 1.00 0.00 C ATOM 289 C GLY A 18 13.245 -0.460 9.665 1.00 0.00 C ATOM 290 O GLY A 18 13.069 0.122 10.738 1.00 0.00 O ATOM 0 H GLY A 18 12.378 -2.532 7.570 1.00 0.00 H new ATOM 0 HA2 GLY A 18 11.753 -2.005 9.679 1.00 0.00 H new ATOM 0 HA3 GLY A 18 13.310 -2.508 10.308 1.00 0.00 H new ATOM 294 N LEU A 19 13.772 0.156 8.602 1.00 0.00 N ATOM 295 CA LEU A 19 14.329 1.510 8.584 1.00 0.00 C ATOM 296 C LEU A 19 13.238 2.540 8.268 1.00 0.00 C ATOM 297 O LEU A 19 13.327 3.307 7.310 1.00 0.00 O ATOM 298 CB LEU A 19 15.552 1.551 7.642 1.00 0.00 C ATOM 299 CG LEU A 19 16.715 0.629 8.061 1.00 0.00 C ATOM 300 CD1 LEU A 19 17.825 0.673 7.008 1.00 0.00 C ATOM 301 CD2 LEU A 19 17.329 1.037 9.402 1.00 0.00 C ATOM 0 H LEU A 19 13.824 -0.297 7.690 1.00 0.00 H new ATOM 0 HA LEU A 19 14.698 1.788 9.571 1.00 0.00 H new ATOM 0 HB2 LEU A 19 15.230 1.275 6.638 1.00 0.00 H new ATOM 0 HB3 LEU A 19 15.919 2.576 7.589 1.00 0.00 H new ATOM 0 HG LEU A 19 16.297 -0.373 8.155 1.00 0.00 H new ATOM 0 HD11 LEU A 19 18.642 0.019 7.313 1.00 0.00 H new ATOM 0 HD12 LEU A 19 17.430 0.338 6.049 1.00 0.00 H new ATOM 0 HD13 LEU A 19 18.195 1.694 6.911 1.00 0.00 H new ATOM 0 HD21 LEU A 19 18.143 0.357 9.651 1.00 0.00 H new ATOM 0 HD22 LEU A 19 17.715 2.054 9.331 1.00 0.00 H new ATOM 0 HD23 LEU A 19 16.567 0.992 10.180 1.00 0.00 H new ATOM 313 N TYR A 20 12.170 2.522 9.071 1.00 0.00 N ATOM 314 CA TYR A 20 10.979 3.362 8.873 1.00 0.00 C ATOM 315 C TYR A 20 11.334 4.860 8.838 1.00 0.00 C ATOM 316 O TYR A 20 10.802 5.595 8.006 1.00 0.00 O ATOM 317 CB TYR A 20 9.931 3.121 9.982 1.00 0.00 C ATOM 318 CG TYR A 20 9.510 1.698 10.334 1.00 0.00 C ATOM 319 CD1 TYR A 20 9.740 0.598 9.481 1.00 0.00 C ATOM 320 CD2 TYR A 20 8.830 1.492 11.552 1.00 0.00 C ATOM 321 CE1 TYR A 20 9.312 -0.693 9.855 1.00 0.00 C ATOM 322 CE2 TYR A 20 8.421 0.202 11.937 1.00 0.00 C ATOM 323 CZ TYR A 20 8.667 -0.898 11.091 1.00 0.00 C ATOM 324 OH TYR A 20 8.290 -2.151 11.466 1.00 0.00 O ATOM 0 H TYR A 20 12.105 1.916 9.889 1.00 0.00 H new ATOM 0 HA TYR A 20 10.559 3.077 7.909 1.00 0.00 H new ATOM 0 HB2 TYR A 20 10.311 3.582 10.894 1.00 0.00 H new ATOM 0 HB3 TYR A 20 9.030 3.666 9.701 1.00 0.00 H new ATOM 0 HD1 TYR A 20 10.246 0.745 8.538 1.00 0.00 H new ATOM 0 HD2 TYR A 20 8.621 2.333 12.196 1.00 0.00 H new ATOM 0 HE1 TYR A 20 9.479 -1.528 9.191 1.00 0.00 H new ATOM 0 HE2 TYR A 20 7.918 0.055 12.881 1.00 0.00 H new ATOM 0 HH TYR A 20 7.860 -2.114 12.346 1.00 0.00 H new ATOM 334 N ARG A 21 12.262 5.322 9.692 1.00 0.00 N ATOM 335 CA ARG A 21 12.667 6.740 9.755 1.00 0.00 C ATOM 336 C ARG A 21 13.499 7.141 8.537 1.00 0.00 C ATOM 337 O ARG A 21 13.281 8.226 8.006 1.00 0.00 O ATOM 338 CB ARG A 21 13.408 7.067 11.068 1.00 0.00 C ATOM 339 CG ARG A 21 12.500 7.235 12.302 1.00 0.00 C ATOM 340 CD ARG A 21 11.744 5.974 12.747 1.00 0.00 C ATOM 341 NE ARG A 21 12.655 4.849 13.021 1.00 0.00 N ATOM 342 CZ ARG A 21 12.316 3.607 13.306 1.00 0.00 C ATOM 343 NH1 ARG A 21 11.082 3.224 13.412 1.00 0.00 N ATOM 344 NH2 ARG A 21 13.235 2.712 13.473 1.00 0.00 N ATOM 0 H ARG A 21 12.753 4.726 10.358 1.00 0.00 H new ATOM 0 HA ARG A 21 11.752 7.333 9.741 1.00 0.00 H new ATOM 0 HB2 ARG A 21 14.127 6.273 11.270 1.00 0.00 H new ATOM 0 HB3 ARG A 21 13.978 7.985 10.927 1.00 0.00 H new ATOM 0 HG2 ARG A 21 13.110 7.584 13.135 1.00 0.00 H new ATOM 0 HG3 ARG A 21 11.772 8.018 12.091 1.00 0.00 H new ATOM 0 HD2 ARG A 21 11.164 6.197 13.643 1.00 0.00 H new ATOM 0 HD3 ARG A 21 11.034 5.685 11.972 1.00 0.00 H new ATOM 0 HE ARG A 21 13.654 5.052 12.987 1.00 0.00 H new ATOM 0 HH11 ARG A 21 10.326 3.895 13.273 1.00 0.00 H new ATOM 0 HH12 ARG A 21 10.867 2.252 13.634 1.00 0.00 H new ATOM 0 HH21 ARG A 21 14.218 2.968 13.384 1.00 0.00 H new ATOM 0 HH22 ARG A 21 12.976 1.750 13.694 1.00 0.00 H new ATOM 358 N GLU A 22 14.379 6.267 8.045 1.00 0.00 N ATOM 359 CA GLU A 22 15.106 6.448 6.781 1.00 0.00 C ATOM 360 C GLU A 22 14.154 6.456 5.571 1.00 0.00 C ATOM 361 O GLU A 22 14.297 7.279 4.668 1.00 0.00 O ATOM 362 CB GLU A 22 16.119 5.306 6.637 1.00 0.00 C ATOM 363 CG GLU A 22 17.264 5.620 5.672 1.00 0.00 C ATOM 364 CD GLU A 22 18.406 6.400 6.332 1.00 0.00 C ATOM 365 OE1 GLU A 22 19.113 5.823 7.199 1.00 0.00 O ATOM 366 OE2 GLU A 22 18.610 7.583 5.968 1.00 0.00 O ATOM 0 H GLU A 22 14.613 5.396 8.521 1.00 0.00 H new ATOM 0 HA GLU A 22 15.612 7.413 6.803 1.00 0.00 H new ATOM 0 HB2 GLU A 22 16.535 5.075 7.618 1.00 0.00 H new ATOM 0 HB3 GLU A 22 15.599 4.412 6.292 1.00 0.00 H new ATOM 0 HG2 GLU A 22 17.656 4.687 5.266 1.00 0.00 H new ATOM 0 HG3 GLU A 22 16.876 6.196 4.832 1.00 0.00 H new ATOM 374 N ALA A 23 13.140 5.585 5.564 1.00 0.00 N ATOM 375 CA ALA A 23 12.123 5.557 4.515 1.00 0.00 C ATOM 376 C ALA A 23 11.288 6.851 4.485 1.00 0.00 C ATOM 377 O ALA A 23 11.124 7.463 3.428 1.00 0.00 O ATOM 378 CB ALA A 23 11.237 4.329 4.730 1.00 0.00 C ATOM 0 H ALA A 23 13.004 4.880 6.288 1.00 0.00 H new ATOM 0 HA ALA A 23 12.615 5.492 3.545 1.00 0.00 H new ATOM 0 HB1 ALA A 23 10.471 4.292 3.955 1.00 0.00 H new ATOM 0 HB2 ALA A 23 11.847 3.427 4.680 1.00 0.00 H new ATOM 0 HB3 ALA A 23 10.760 4.391 5.708 1.00 0.00 H new ATOM 384 N VAL A 24 10.828 7.314 5.653 1.00 0.00 N ATOM 385 CA VAL A 24 10.156 8.615 5.836 1.00 0.00 C ATOM 386 C VAL A 24 11.070 9.773 5.410 1.00 0.00 C ATOM 387 O VAL A 24 10.583 10.715 4.783 1.00 0.00 O ATOM 388 CB VAL A 24 9.666 8.744 7.297 1.00 0.00 C ATOM 389 CG1 VAL A 24 9.221 10.154 7.701 1.00 0.00 C ATOM 390 CG2 VAL A 24 8.458 7.823 7.525 1.00 0.00 C ATOM 0 H VAL A 24 10.913 6.785 6.521 1.00 0.00 H new ATOM 0 HA VAL A 24 9.281 8.668 5.188 1.00 0.00 H new ATOM 0 HB VAL A 24 10.531 8.474 7.903 1.00 0.00 H new ATOM 0 HG11 VAL A 24 8.894 10.148 8.741 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.056 10.846 7.587 1.00 0.00 H new ATOM 0 HG13 VAL A 24 8.396 10.472 7.063 1.00 0.00 H new ATOM 0 HG21 VAL A 24 8.117 7.918 8.556 1.00 0.00 H new ATOM 0 HG22 VAL A 24 7.652 8.106 6.849 1.00 0.00 H new ATOM 0 HG23 VAL A 24 8.747 6.790 7.332 1.00 0.00 H new ATOM 400 N HIS A 25 12.386 9.677 5.643 1.00 0.00 N ATOM 401 CA HIS A 25 13.384 10.658 5.192 1.00 0.00 C ATOM 402 C HIS A 25 13.446 10.737 3.658 1.00 0.00 C ATOM 403 O HIS A 25 13.416 11.835 3.100 1.00 0.00 O ATOM 404 CB HIS A 25 14.769 10.291 5.766 1.00 0.00 C ATOM 405 CG HIS A 25 15.746 11.429 5.922 1.00 0.00 C ATOM 406 ND1 HIS A 25 15.476 12.728 6.300 1.00 0.00 N ATOM 407 CD2 HIS A 25 17.108 11.302 5.871 1.00 0.00 C ATOM 408 CE1 HIS A 25 16.645 13.368 6.464 1.00 0.00 C ATOM 409 NE2 HIS A 25 17.673 12.531 6.231 1.00 0.00 N ATOM 0 H HIS A 25 12.796 8.899 6.161 1.00 0.00 H new ATOM 0 HA HIS A 25 13.086 11.640 5.559 1.00 0.00 H new ATOM 0 HB2 HIS A 25 14.624 9.827 6.742 1.00 0.00 H new ATOM 0 HB3 HIS A 25 15.220 9.538 5.119 1.00 0.00 H new ATOM 0 HD2 HIS A 25 17.652 10.409 5.600 1.00 0.00 H new ATOM 0 HE1 HIS A 25 16.746 14.406 6.743 1.00 0.00 H new ATOM 0 HE2 HIS A 25 18.667 12.749 6.303 1.00 0.00 H new ATOM 418 N CYS A 26 13.470 9.586 2.973 1.00 0.00 N ATOM 419 CA CYS A 26 13.473 9.489 1.507 1.00 0.00 C ATOM 420 C CYS A 26 12.183 10.043 0.892 1.00 0.00 C ATOM 421 O CYS A 26 12.238 10.817 -0.063 1.00 0.00 O ATOM 422 CB CYS A 26 13.681 8.022 1.085 1.00 0.00 C ATOM 423 SG CYS A 26 15.286 7.384 1.651 1.00 0.00 S ATOM 0 H CYS A 26 13.488 8.676 3.433 1.00 0.00 H new ATOM 0 HA CYS A 26 14.296 10.098 1.132 1.00 0.00 H new ATOM 0 HB2 CYS A 26 12.879 7.408 1.495 1.00 0.00 H new ATOM 0 HB3 CYS A 26 13.620 7.943 -0.000 1.00 0.00 H new ATOM 0 HG CYS A 26 15.253 7.207 2.938 1.00 0.00 H new ATOM 429 N TYR A 27 11.022 9.713 1.464 1.00 0.00 N ATOM 430 CA TYR A 27 9.744 10.277 1.023 1.00 0.00 C ATOM 431 C TYR A 27 9.649 11.790 1.286 1.00 0.00 C ATOM 432 O TYR A 27 9.141 12.526 0.438 1.00 0.00 O ATOM 433 CB TYR A 27 8.588 9.498 1.666 1.00 0.00 C ATOM 434 CG TYR A 27 8.464 8.032 1.265 1.00 0.00 C ATOM 435 CD1 TYR A 27 8.571 7.633 -0.086 1.00 0.00 C ATOM 436 CD2 TYR A 27 8.162 7.064 2.244 1.00 0.00 C ATOM 437 CE1 TYR A 27 8.320 6.299 -0.459 1.00 0.00 C ATOM 438 CE2 TYR A 27 7.901 5.731 1.872 1.00 0.00 C ATOM 439 CZ TYR A 27 7.953 5.353 0.517 1.00 0.00 C ATOM 440 OH TYR A 27 7.651 4.081 0.152 1.00 0.00 O ATOM 0 H TYR A 27 10.941 9.054 2.238 1.00 0.00 H new ATOM 0 HA TYR A 27 9.674 10.167 -0.059 1.00 0.00 H new ATOM 0 HB2 TYR A 27 8.700 9.549 2.749 1.00 0.00 H new ATOM 0 HB3 TYR A 27 7.654 10.002 1.418 1.00 0.00 H new ATOM 0 HD1 TYR A 27 8.847 8.357 -0.838 1.00 0.00 H new ATOM 0 HD2 TYR A 27 8.131 7.346 3.286 1.00 0.00 H new ATOM 0 HE1 TYR A 27 8.409 6.001 -1.493 1.00 0.00 H new ATOM 0 HE2 TYR A 27 7.661 4.998 2.627 1.00 0.00 H new ATOM 0 HH TYR A 27 7.420 3.558 0.948 1.00 0.00 H new ATOM 450 N ASP A 28 10.226 12.285 2.387 1.00 0.00 N ATOM 451 CA ASP A 28 10.317 13.723 2.662 1.00 0.00 C ATOM 452 C ASP A 28 11.257 14.453 1.688 1.00 0.00 C ATOM 453 O ASP A 28 11.030 15.632 1.423 1.00 0.00 O ATOM 454 CB ASP A 28 10.727 13.959 4.125 1.00 0.00 C ATOM 455 CG ASP A 28 10.530 15.414 4.569 1.00 0.00 C ATOM 456 OD1 ASP A 28 9.411 15.964 4.425 1.00 0.00 O ATOM 457 OD2 ASP A 28 11.482 16.017 5.117 1.00 0.00 O ATOM 0 H ASP A 28 10.643 11.700 3.112 1.00 0.00 H new ATOM 0 HA ASP A 28 9.327 14.150 2.503 1.00 0.00 H new ATOM 0 HB2 ASP A 28 10.143 13.304 4.772 1.00 0.00 H new ATOM 0 HB3 ASP A 28 11.774 13.683 4.254 1.00 0.00 H new ATOM 463 N GLN A 29 12.254 13.787 1.081 1.00 0.00 N ATOM 464 CA GLN A 29 13.061 14.405 0.015 1.00 0.00 C ATOM 465 C GLN A 29 12.225 14.684 -1.246 1.00 0.00 C ATOM 466 O GLN A 29 12.438 15.718 -1.885 1.00 0.00 O ATOM 467 CB GLN A 29 14.300 13.571 -0.369 1.00 0.00 C ATOM 468 CG GLN A 29 15.318 13.247 0.735 1.00 0.00 C ATOM 469 CD GLN A 29 15.552 14.388 1.720 1.00 0.00 C ATOM 470 OE1 GLN A 29 16.216 15.380 1.429 1.00 0.00 O ATOM 471 NE2 GLN A 29 14.975 14.302 2.897 1.00 0.00 N ATOM 0 H GLN A 29 12.519 12.828 1.308 1.00 0.00 H new ATOM 0 HA GLN A 29 13.410 15.349 0.433 1.00 0.00 H new ATOM 0 HB2 GLN A 29 13.951 12.628 -0.790 1.00 0.00 H new ATOM 0 HB3 GLN A 29 14.826 14.100 -1.164 1.00 0.00 H new ATOM 0 HG2 GLN A 29 14.975 12.371 1.285 1.00 0.00 H new ATOM 0 HG3 GLN A 29 16.268 12.981 0.272 1.00 0.00 H new ATOM 0 HE21 GLN A 29 14.424 13.477 3.136 1.00 0.00 H new ATOM 0 HE22 GLN A 29 15.078 15.060 3.572 1.00 0.00 H new ATOM 480 N LEU A 30 11.245 13.824 -1.574 1.00 0.00 N ATOM 481 CA LEU A 30 10.331 14.060 -2.708 1.00 0.00 C ATOM 482 C LEU A 30 9.549 15.366 -2.509 1.00 0.00 C ATOM 483 O LEU A 30 9.477 16.184 -3.424 1.00 0.00 O ATOM 484 CB LEU A 30 9.298 12.925 -2.903 1.00 0.00 C ATOM 485 CG LEU A 30 9.771 11.470 -2.789 1.00 0.00 C ATOM 486 CD1 LEU A 30 8.553 10.544 -2.775 1.00 0.00 C ATOM 487 CD2 LEU A 30 10.651 11.050 -3.958 1.00 0.00 C ATOM 0 H LEU A 30 11.064 12.956 -1.069 1.00 0.00 H new ATOM 0 HA LEU A 30 10.969 14.109 -3.591 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.503 13.072 -2.172 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.851 13.051 -3.889 1.00 0.00 H new ATOM 0 HG LEU A 30 10.352 11.396 -1.870 1.00 0.00 H new ATOM 0 HD11 LEU A 30 8.884 9.509 -2.694 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.919 10.790 -1.923 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.987 10.673 -3.698 1.00 0.00 H new ATOM 0 HD21 LEU A 30 10.958 10.012 -3.828 1.00 0.00 H new ATOM 0 HD22 LEU A 30 10.092 11.149 -4.888 1.00 0.00 H new ATOM 0 HD23 LEU A 30 11.534 11.688 -3.996 1.00 0.00 H new ATOM 499 N ILE A 31 8.978 15.543 -1.310 1.00 0.00 N ATOM 500 CA ILE A 31 8.141 16.697 -0.948 1.00 0.00 C ATOM 501 C ILE A 31 9.008 17.953 -0.794 1.00 0.00 C ATOM 502 O ILE A 31 8.651 19.001 -1.313 1.00 0.00 O ATOM 503 CB ILE A 31 7.307 16.421 0.332 1.00 0.00 C ATOM 504 CG1 ILE A 31 6.506 15.099 0.230 1.00 0.00 C ATOM 505 CG2 ILE A 31 6.344 17.598 0.584 1.00 0.00 C ATOM 506 CD1 ILE A 31 5.740 14.704 1.498 1.00 0.00 C ATOM 0 H ILE A 31 9.087 14.874 -0.548 1.00 0.00 H new ATOM 0 HA ILE A 31 7.430 16.868 -1.756 1.00 0.00 H new ATOM 0 HB ILE A 31 8.001 16.320 1.166 1.00 0.00 H new ATOM 0 HG12 ILE A 31 5.796 15.185 -0.593 1.00 0.00 H new ATOM 0 HG13 ILE A 31 7.195 14.294 -0.026 1.00 0.00 H new ATOM 0 HG21 ILE A 31 5.759 17.403 1.483 1.00 0.00 H new ATOM 0 HG22 ILE A 31 6.917 18.515 0.716 1.00 0.00 H new ATOM 0 HG23 ILE A 31 5.674 17.709 -0.268 1.00 0.00 H new ATOM 0 HD11 ILE A 31 5.212 13.766 1.327 1.00 0.00 H new ATOM 0 HD12 ILE A 31 6.441 14.580 2.323 1.00 0.00 H new ATOM 0 HD13 ILE A 31 5.021 15.485 1.747 1.00 0.00 H new ATOM 518 N THR A 32 10.188 17.840 -0.175 1.00 0.00 N ATOM 519 CA THR A 32 11.136 18.959 -0.005 1.00 0.00 C ATOM 520 C THR A 32 11.538 19.568 -1.352 1.00 0.00 C ATOM 521 O THR A 32 11.617 20.791 -1.463 1.00 0.00 O ATOM 522 CB THR A 32 12.384 18.502 0.775 1.00 0.00 C ATOM 523 OG1 THR A 32 11.993 17.986 2.034 1.00 0.00 O ATOM 524 CG2 THR A 32 13.386 19.617 1.062 1.00 0.00 C ATOM 0 H THR A 32 10.520 16.964 0.228 1.00 0.00 H new ATOM 0 HA THR A 32 10.629 19.733 0.571 1.00 0.00 H new ATOM 0 HB THR A 32 12.864 17.761 0.136 1.00 0.00 H new ATOM 0 HG1 THR A 32 11.930 17.009 1.982 1.00 0.00 H new ATOM 0 HG21 THR A 32 14.234 19.211 1.614 1.00 0.00 H new ATOM 0 HG22 THR A 32 13.735 20.043 0.122 1.00 0.00 H new ATOM 0 HG23 THR A 32 12.905 20.394 1.656 1.00 0.00 H new ATOM 532 N ALA A 33 11.716 18.752 -2.398 1.00 0.00 N ATOM 533 CA ALA A 33 11.987 19.233 -3.754 1.00 0.00 C ATOM 534 C ALA A 33 10.732 19.743 -4.502 1.00 0.00 C ATOM 535 O ALA A 33 10.852 20.610 -5.372 1.00 0.00 O ATOM 536 CB ALA A 33 12.676 18.098 -4.523 1.00 0.00 C ATOM 0 H ALA A 33 11.676 17.735 -2.325 1.00 0.00 H new ATOM 0 HA ALA A 33 12.634 20.107 -3.685 1.00 0.00 H new ATOM 0 HB1 ALA A 33 12.892 18.426 -5.540 1.00 0.00 H new ATOM 0 HB2 ALA A 33 13.607 17.832 -4.022 1.00 0.00 H new ATOM 0 HB3 ALA A 33 12.019 17.228 -4.554 1.00 0.00 H new ATOM 542 N GLN A 34 9.543 19.205 -4.196 1.00 0.00 N ATOM 543 CA GLN A 34 8.295 19.385 -4.963 1.00 0.00 C ATOM 544 C GLN A 34 7.069 19.658 -4.044 1.00 0.00 C ATOM 545 O GLN A 34 6.132 18.854 -4.024 1.00 0.00 O ATOM 546 CB GLN A 34 8.083 18.134 -5.843 1.00 0.00 C ATOM 547 CG GLN A 34 9.239 17.762 -6.792 1.00 0.00 C ATOM 548 CD GLN A 34 9.165 16.301 -7.211 1.00 0.00 C ATOM 549 OE1 GLN A 34 8.879 15.957 -8.351 1.00 0.00 O ATOM 550 NE2 GLN A 34 9.429 15.384 -6.306 1.00 0.00 N ATOM 0 H GLN A 34 9.416 18.610 -3.378 1.00 0.00 H new ATOM 0 HA GLN A 34 8.388 20.269 -5.594 1.00 0.00 H new ATOM 0 HB2 GLN A 34 7.891 17.284 -5.188 1.00 0.00 H new ATOM 0 HB3 GLN A 34 7.184 18.285 -6.441 1.00 0.00 H new ATOM 0 HG2 GLN A 34 9.205 18.398 -7.677 1.00 0.00 H new ATOM 0 HG3 GLN A 34 10.192 17.953 -6.299 1.00 0.00 H new ATOM 0 HE21 GLN A 34 9.668 15.661 -5.354 1.00 0.00 H new ATOM 0 HE22 GLN A 34 9.395 14.396 -6.556 1.00 0.00 H new ATOM 559 N PRO A 35 7.028 20.757 -3.258 1.00 0.00 N ATOM 560 CA PRO A 35 6.120 20.865 -2.103 1.00 0.00 C ATOM 561 C PRO A 35 4.615 20.865 -2.384 1.00 0.00 C ATOM 562 O PRO A 35 3.838 20.520 -1.487 1.00 0.00 O ATOM 563 CB PRO A 35 6.500 22.171 -1.408 1.00 0.00 C ATOM 564 CG PRO A 35 7.984 22.305 -1.734 1.00 0.00 C ATOM 565 CD PRO A 35 8.024 21.820 -3.177 1.00 0.00 C ATOM 0 HA PRO A 35 6.256 19.961 -1.510 1.00 0.00 H new ATOM 0 HB2 PRO A 35 5.924 23.015 -1.789 1.00 0.00 H new ATOM 0 HB3 PRO A 35 6.324 22.124 -0.333 1.00 0.00 H new ATOM 0 HG2 PRO A 35 8.334 23.333 -1.637 1.00 0.00 H new ATOM 0 HG3 PRO A 35 8.605 21.694 -1.079 1.00 0.00 H new ATOM 0 HD2 PRO A 35 7.792 22.629 -3.870 1.00 0.00 H new ATOM 0 HD3 PRO A 35 9.015 21.450 -3.440 1.00 0.00 H new ATOM 573 N GLN A 36 4.193 21.250 -3.593 1.00 0.00 N ATOM 574 CA GLN A 36 2.783 21.276 -4.008 1.00 0.00 C ATOM 575 C GLN A 36 2.404 20.104 -4.941 1.00 0.00 C ATOM 576 O GLN A 36 1.283 20.056 -5.451 1.00 0.00 O ATOM 577 CB GLN A 36 2.427 22.656 -4.608 1.00 0.00 C ATOM 578 CG GLN A 36 1.422 23.440 -3.744 1.00 0.00 C ATOM 579 CD GLN A 36 2.061 24.060 -2.502 1.00 0.00 C ATOM 580 OE1 GLN A 36 2.861 24.987 -2.588 1.00 0.00 O ATOM 581 NE2 GLN A 36 1.736 23.613 -1.311 1.00 0.00 N ATOM 0 H GLN A 36 4.832 21.558 -4.325 1.00 0.00 H new ATOM 0 HA GLN A 36 2.175 21.130 -3.116 1.00 0.00 H new ATOM 0 HB2 GLN A 36 3.338 23.244 -4.722 1.00 0.00 H new ATOM 0 HB3 GLN A 36 2.011 22.517 -5.606 1.00 0.00 H new ATOM 0 HG2 GLN A 36 0.971 24.229 -4.346 1.00 0.00 H new ATOM 0 HG3 GLN A 36 0.617 22.773 -3.437 1.00 0.00 H new ATOM 0 HE21 GLN A 36 1.073 22.843 -1.219 1.00 0.00 H new ATOM 0 HE22 GLN A 36 2.147 24.035 -0.478 1.00 0.00 H new ATOM 590 N ASN A 37 3.317 19.158 -5.195 1.00 0.00 N ATOM 591 CA ASN A 37 3.043 17.992 -6.035 1.00 0.00 C ATOM 592 C ASN A 37 2.382 16.868 -5.214 1.00 0.00 C ATOM 593 O ASN A 37 3.045 16.273 -4.355 1.00 0.00 O ATOM 594 CB ASN A 37 4.338 17.505 -6.703 1.00 0.00 C ATOM 595 CG ASN A 37 4.590 18.180 -8.028 1.00 0.00 C ATOM 596 OD1 ASN A 37 5.350 19.135 -8.142 1.00 0.00 O ATOM 597 ND2 ASN A 37 3.936 17.700 -9.058 1.00 0.00 N ATOM 0 H ASN A 37 4.266 19.182 -4.822 1.00 0.00 H new ATOM 0 HA ASN A 37 2.343 18.283 -6.818 1.00 0.00 H new ATOM 0 HB2 ASN A 37 5.180 17.692 -6.037 1.00 0.00 H new ATOM 0 HB3 ASN A 37 4.283 16.427 -6.852 1.00 0.00 H new ATOM 0 HD21 ASN A 37 4.054 18.122 -9.979 1.00 0.00 H new ATOM 0 HD22 ASN A 37 3.309 16.904 -8.938 1.00 0.00 H new ATOM 604 N PRO A 38 1.127 16.474 -5.515 1.00 0.00 N ATOM 605 CA PRO A 38 0.431 15.425 -4.767 1.00 0.00 C ATOM 606 C PRO A 38 1.081 14.038 -4.874 1.00 0.00 C ATOM 607 O PRO A 38 0.793 13.150 -4.068 1.00 0.00 O ATOM 608 CB PRO A 38 -1.001 15.432 -5.303 1.00 0.00 C ATOM 609 CG PRO A 38 -0.810 15.908 -6.740 1.00 0.00 C ATOM 610 CD PRO A 38 0.265 16.971 -6.580 1.00 0.00 C ATOM 0 HA PRO A 38 0.475 15.634 -3.698 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -1.456 14.442 -5.260 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -1.644 16.104 -4.735 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -0.490 15.100 -7.398 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -1.729 16.317 -7.160 1.00 0.00 H new ATOM 0 HD2 PRO A 38 0.822 17.112 -7.506 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -0.169 17.936 -6.319 1.00 0.00 H new ATOM 618 N VAL A 39 2.015 13.859 -5.814 1.00 0.00 N ATOM 619 CA VAL A 39 2.861 12.667 -5.923 1.00 0.00 C ATOM 620 C VAL A 39 3.567 12.334 -4.603 1.00 0.00 C ATOM 621 O VAL A 39 3.552 11.177 -4.181 1.00 0.00 O ATOM 622 CB VAL A 39 3.859 12.841 -7.091 1.00 0.00 C ATOM 623 CG1 VAL A 39 5.135 13.626 -6.758 1.00 0.00 C ATOM 624 CG2 VAL A 39 4.252 11.464 -7.627 1.00 0.00 C ATOM 0 H VAL A 39 2.208 14.554 -6.535 1.00 0.00 H new ATOM 0 HA VAL A 39 2.222 11.811 -6.140 1.00 0.00 H new ATOM 0 HB VAL A 39 3.330 13.440 -7.833 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.765 13.690 -7.645 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.869 14.631 -6.429 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.679 13.116 -5.963 1.00 0.00 H new ATOM 0 HG21 VAL A 39 4.956 11.582 -8.451 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.719 10.883 -6.831 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.362 10.944 -7.981 1.00 0.00 H new ATOM 634 N GLY A 40 4.097 13.340 -3.895 1.00 0.00 N ATOM 635 CA GLY A 40 4.806 13.145 -2.631 1.00 0.00 C ATOM 636 C GLY A 40 3.864 12.751 -1.493 1.00 0.00 C ATOM 637 O GLY A 40 4.168 11.824 -0.744 1.00 0.00 O ATOM 0 H GLY A 40 4.044 14.316 -4.188 1.00 0.00 H new ATOM 0 HA2 GLY A 40 5.563 12.371 -2.757 1.00 0.00 H new ATOM 0 HA3 GLY A 40 5.330 14.063 -2.365 1.00 0.00 H new ATOM 641 N TYR A 41 2.674 13.360 -1.435 1.00 0.00 N ATOM 642 CA TYR A 41 1.612 12.962 -0.500 1.00 0.00 C ATOM 643 C TYR A 41 1.206 11.496 -0.739 1.00 0.00 C ATOM 644 O TYR A 41 1.030 10.738 0.210 1.00 0.00 O ATOM 645 CB TYR A 41 0.380 13.878 -0.642 1.00 0.00 C ATOM 646 CG TYR A 41 0.600 15.384 -0.751 1.00 0.00 C ATOM 647 CD1 TYR A 41 1.739 16.021 -0.213 1.00 0.00 C ATOM 648 CD2 TYR A 41 -0.360 16.151 -1.442 1.00 0.00 C ATOM 649 CE1 TYR A 41 1.956 17.398 -0.437 1.00 0.00 C ATOM 650 CE2 TYR A 41 -0.143 17.521 -1.670 1.00 0.00 C ATOM 651 CZ TYR A 41 1.021 18.146 -1.183 1.00 0.00 C ATOM 652 OH TYR A 41 1.237 19.460 -1.451 1.00 0.00 O ATOM 0 H TYR A 41 2.419 14.144 -2.035 1.00 0.00 H new ATOM 0 HA TYR A 41 2.002 13.062 0.513 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -0.170 13.559 -1.527 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -0.267 13.699 0.217 1.00 0.00 H new ATOM 0 HD1 TYR A 41 2.447 15.453 0.372 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -1.266 15.684 -1.798 1.00 0.00 H new ATOM 0 HE1 TYR A 41 2.837 17.878 -0.038 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -0.872 18.097 -2.221 1.00 0.00 H new ATOM 0 HH TYR A 41 2.199 19.647 -1.419 1.00 0.00 H new ATOM 662 N SER A 42 1.145 11.061 -2.005 1.00 0.00 N ATOM 663 CA SER A 42 0.838 9.667 -2.357 1.00 0.00 C ATOM 664 C SER A 42 1.893 8.670 -1.864 1.00 0.00 C ATOM 665 O SER A 42 1.552 7.569 -1.430 1.00 0.00 O ATOM 666 CB SER A 42 0.597 9.536 -3.869 1.00 0.00 C ATOM 667 OG SER A 42 1.774 9.249 -4.607 1.00 0.00 O ATOM 0 H SER A 42 1.307 11.663 -2.812 1.00 0.00 H new ATOM 0 HA SER A 42 -0.080 9.403 -1.832 1.00 0.00 H new ATOM 0 HB2 SER A 42 -0.134 8.747 -4.045 1.00 0.00 H new ATOM 0 HB3 SER A 42 0.161 10.463 -4.241 1.00 0.00 H new ATOM 0 HG SER A 42 2.509 9.809 -4.281 1.00 0.00 H new ATOM 673 N ASN A 43 3.175 9.052 -1.874 1.00 0.00 N ATOM 674 CA ASN A 43 4.256 8.210 -1.363 1.00 0.00 C ATOM 675 C ASN A 43 4.360 8.251 0.171 1.00 0.00 C ATOM 676 O ASN A 43 4.674 7.229 0.775 1.00 0.00 O ATOM 677 CB ASN A 43 5.563 8.572 -2.085 1.00 0.00 C ATOM 678 CG ASN A 43 5.605 8.011 -3.495 1.00 0.00 C ATOM 679 OD1 ASN A 43 5.648 8.733 -4.477 1.00 0.00 O ATOM 680 ND2 ASN A 43 5.595 6.704 -3.638 1.00 0.00 N ATOM 0 H ASN A 43 3.489 9.952 -2.236 1.00 0.00 H new ATOM 0 HA ASN A 43 4.033 7.166 -1.585 1.00 0.00 H new ATOM 0 HB2 ASN A 43 5.669 9.656 -2.122 1.00 0.00 H new ATOM 0 HB3 ASN A 43 6.410 8.188 -1.516 1.00 0.00 H new ATOM 0 HD21 ASN A 43 5.623 6.293 -4.571 1.00 0.00 H new ATOM 0 HD22 ASN A 43 5.559 6.101 -2.816 1.00 0.00 H new ATOM 687 N LYS A 44 3.990 9.359 0.826 1.00 0.00 N ATOM 688 CA LYS A 44 3.825 9.388 2.291 1.00 0.00 C ATOM 689 C LYS A 44 2.601 8.575 2.752 1.00 0.00 C ATOM 690 O LYS A 44 2.685 7.862 3.747 1.00 0.00 O ATOM 691 CB LYS A 44 3.858 10.845 2.781 1.00 0.00 C ATOM 692 CG LYS A 44 4.004 10.911 4.310 1.00 0.00 C ATOM 693 CD LYS A 44 4.249 12.353 4.777 1.00 0.00 C ATOM 694 CE LYS A 44 4.516 12.471 6.285 1.00 0.00 C ATOM 695 NZ LYS A 44 5.711 11.703 6.709 1.00 0.00 N ATOM 0 H LYS A 44 3.798 10.249 0.367 1.00 0.00 H new ATOM 0 HA LYS A 44 4.664 8.881 2.767 1.00 0.00 H new ATOM 0 HB2 LYS A 44 4.688 11.372 2.310 1.00 0.00 H new ATOM 0 HB3 LYS A 44 2.944 11.355 2.477 1.00 0.00 H new ATOM 0 HG2 LYS A 44 3.103 10.520 4.782 1.00 0.00 H new ATOM 0 HG3 LYS A 44 4.831 10.276 4.628 1.00 0.00 H new ATOM 0 HD2 LYS A 44 5.099 12.764 4.232 1.00 0.00 H new ATOM 0 HD3 LYS A 44 3.382 12.962 4.521 1.00 0.00 H new ATOM 0 HE2 LYS A 44 4.650 13.521 6.546 1.00 0.00 H new ATOM 0 HE3 LYS A 44 3.645 12.115 6.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 5.949 11.946 7.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 5.511 10.685 6.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 6.513 11.939 6.090 1.00 0.00 H new ATOM 709 N ALA A 45 1.524 8.524 1.966 1.00 0.00 N ATOM 710 CA ALA A 45 0.432 7.573 2.188 1.00 0.00 C ATOM 711 C ALA A 45 0.888 6.106 2.025 1.00 0.00 C ATOM 712 O ALA A 45 0.508 5.252 2.830 1.00 0.00 O ATOM 713 CB ALA A 45 -0.733 7.924 1.259 1.00 0.00 C ATOM 0 H ALA A 45 1.384 9.136 1.162 1.00 0.00 H new ATOM 0 HA ALA A 45 0.097 7.658 3.222 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -1.550 7.220 1.418 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -1.078 8.935 1.474 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.402 7.867 0.222 1.00 0.00 H new ATOM 719 N MET A 46 1.765 5.815 1.051 1.00 0.00 N ATOM 720 CA MET A 46 2.426 4.505 0.924 1.00 0.00 C ATOM 721 C MET A 46 3.281 4.173 2.158 1.00 0.00 C ATOM 722 O MET A 46 3.272 3.029 2.603 1.00 0.00 O ATOM 723 CB MET A 46 3.271 4.444 -0.356 1.00 0.00 C ATOM 724 CG MET A 46 3.641 3.017 -0.773 1.00 0.00 C ATOM 725 SD MET A 46 4.765 2.977 -2.196 1.00 0.00 S ATOM 726 CE MET A 46 4.690 1.210 -2.602 1.00 0.00 C ATOM 0 H MET A 46 2.036 6.482 0.328 1.00 0.00 H new ATOM 0 HA MET A 46 1.642 3.750 0.859 1.00 0.00 H new ATOM 0 HB2 MET A 46 2.722 4.921 -1.168 1.00 0.00 H new ATOM 0 HB3 MET A 46 4.185 5.020 -0.207 1.00 0.00 H new ATOM 0 HG2 MET A 46 4.108 2.506 0.069 1.00 0.00 H new ATOM 0 HG3 MET A 46 2.732 2.466 -1.016 1.00 0.00 H new ATOM 0 HE1 MET A 46 5.329 1.007 -3.462 1.00 0.00 H new ATOM 0 HE2 MET A 46 5.034 0.626 -1.748 1.00 0.00 H new ATOM 0 HE3 MET A 46 3.663 0.935 -2.840 1.00 0.00 H new ATOM 736 N ALA A 47 3.966 5.156 2.753 1.00 0.00 N ATOM 737 CA ALA A 47 4.693 4.987 4.014 1.00 0.00 C ATOM 738 C ALA A 47 3.760 4.554 5.156 1.00 0.00 C ATOM 739 O ALA A 47 4.053 3.589 5.858 1.00 0.00 O ATOM 740 CB ALA A 47 5.415 6.295 4.369 1.00 0.00 C ATOM 0 H ALA A 47 4.031 6.099 2.369 1.00 0.00 H new ATOM 0 HA ALA A 47 5.427 4.192 3.882 1.00 0.00 H new ATOM 0 HB1 ALA A 47 5.956 6.169 5.307 1.00 0.00 H new ATOM 0 HB2 ALA A 47 6.118 6.549 3.576 1.00 0.00 H new ATOM 0 HB3 ALA A 47 4.684 7.096 4.476 1.00 0.00 H new ATOM 746 N LEU A 48 2.604 5.205 5.310 1.00 0.00 N ATOM 747 CA LEU A 48 1.655 4.904 6.387 1.00 0.00 C ATOM 748 C LEU A 48 1.085 3.473 6.295 1.00 0.00 C ATOM 749 O LEU A 48 0.986 2.802 7.325 1.00 0.00 O ATOM 750 CB LEU A 48 0.559 5.986 6.412 1.00 0.00 C ATOM 751 CG LEU A 48 1.069 7.385 6.821 1.00 0.00 C ATOM 752 CD1 LEU A 48 0.003 8.438 6.522 1.00 0.00 C ATOM 753 CD2 LEU A 48 1.409 7.454 8.312 1.00 0.00 C ATOM 0 H LEU A 48 2.299 5.956 4.691 1.00 0.00 H new ATOM 0 HA LEU A 48 2.186 4.928 7.339 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.104 6.051 5.424 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -0.225 5.679 7.105 1.00 0.00 H new ATOM 0 HG LEU A 48 1.974 7.578 6.245 1.00 0.00 H new ATOM 0 HD11 LEU A 48 0.371 9.422 6.814 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.221 8.436 5.455 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.903 8.209 7.083 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.764 8.455 8.558 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.518 7.230 8.899 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.187 6.726 8.542 1.00 0.00 H new ATOM 765 N ILE A 49 0.816 2.947 5.089 1.00 0.00 N ATOM 766 CA ILE A 49 0.420 1.529 4.897 1.00 0.00 C ATOM 767 C ILE A 49 1.587 0.529 5.001 1.00 0.00 C ATOM 768 O ILE A 49 1.347 -0.679 4.997 1.00 0.00 O ATOM 769 CB ILE A 49 -0.389 1.292 3.597 1.00 0.00 C ATOM 770 CG1 ILE A 49 0.467 1.435 2.322 1.00 0.00 C ATOM 771 CG2 ILE A 49 -1.600 2.232 3.544 1.00 0.00 C ATOM 772 CD1 ILE A 49 -0.243 1.020 1.026 1.00 0.00 C ATOM 0 H ILE A 49 0.864 3.482 4.222 1.00 0.00 H new ATOM 0 HA ILE A 49 -0.240 1.328 5.741 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.735 0.259 3.624 1.00 0.00 H new ATOM 0 HG12 ILE A 49 0.787 2.473 2.229 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.368 0.833 2.436 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.159 2.054 2.625 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.244 2.044 4.403 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.259 3.267 3.566 1.00 0.00 H new ATOM 0 HD11 ILE A 49 0.433 1.154 0.182 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.538 -0.027 1.092 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.129 1.638 0.882 1.00 0.00 H new ATOM 784 N LYS A 50 2.835 1.011 5.091 1.00 0.00 N ATOM 785 CA LYS A 50 4.057 0.204 5.280 1.00 0.00 C ATOM 786 C LYS A 50 4.628 0.292 6.709 1.00 0.00 C ATOM 787 O LYS A 50 5.341 -0.617 7.130 1.00 0.00 O ATOM 788 CB LYS A 50 5.077 0.564 4.171 1.00 0.00 C ATOM 789 CG LYS A 50 5.685 -0.646 3.445 1.00 0.00 C ATOM 790 CD LYS A 50 4.684 -1.567 2.726 1.00 0.00 C ATOM 791 CE LYS A 50 3.847 -0.888 1.638 1.00 0.00 C ATOM 792 NZ LYS A 50 2.817 -1.825 1.131 1.00 0.00 N ATOM 0 H LYS A 50 3.032 2.010 5.032 1.00 0.00 H new ATOM 0 HA LYS A 50 3.803 -0.851 5.175 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.586 1.203 3.437 1.00 0.00 H new ATOM 0 HB3 LYS A 50 5.884 1.149 4.613 1.00 0.00 H new ATOM 0 HG2 LYS A 50 6.406 -0.282 2.713 1.00 0.00 H new ATOM 0 HG3 LYS A 50 6.240 -1.240 4.171 1.00 0.00 H new ATOM 0 HD2 LYS A 50 5.233 -2.395 2.278 1.00 0.00 H new ATOM 0 HD3 LYS A 50 4.010 -1.996 3.468 1.00 0.00 H new ATOM 0 HE2 LYS A 50 3.371 0.006 2.040 1.00 0.00 H new ATOM 0 HE3 LYS A 50 4.491 -0.566 0.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 2.254 -1.356 0.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 3.280 -2.666 0.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 2.194 -2.112 1.913 1.00 0.00 H new ATOM 806 N LEU A 51 4.239 1.310 7.485 1.00 0.00 N ATOM 807 CA LEU A 51 4.439 1.431 8.940 1.00 0.00 C ATOM 808 C LEU A 51 3.293 0.735 9.702 1.00 0.00 C ATOM 809 O LEU A 51 3.507 0.111 10.741 1.00 0.00 O ATOM 810 CB LEU A 51 4.539 2.938 9.283 1.00 0.00 C ATOM 811 CG LEU A 51 5.418 3.315 10.498 1.00 0.00 C ATOM 812 CD1 LEU A 51 5.491 4.837 10.613 1.00 0.00 C ATOM 813 CD2 LEU A 51 4.935 2.759 11.831 1.00 0.00 C ATOM 0 H LEU A 51 3.750 2.117 7.097 1.00 0.00 H new ATOM 0 HA LEU A 51 5.359 0.934 9.247 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.925 3.462 8.408 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.532 3.314 9.461 1.00 0.00 H new ATOM 0 HG LEU A 51 6.392 2.865 10.306 1.00 0.00 H new ATOM 0 HD11 LEU A 51 6.110 5.108 11.468 1.00 0.00 H new ATOM 0 HD12 LEU A 51 5.928 5.250 9.704 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.487 5.240 10.749 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.613 3.075 12.624 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.933 3.133 12.040 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.913 1.670 11.785 1.00 0.00 H new ATOM 825 N GLY A 52 2.072 0.782 9.160 1.00 0.00 N ATOM 826 CA GLY A 52 0.882 0.129 9.718 1.00 0.00 C ATOM 827 C GLY A 52 -0.129 1.078 10.376 1.00 0.00 C ATOM 828 O GLY A 52 -0.953 0.647 11.179 1.00 0.00 O ATOM 0 H GLY A 52 1.878 1.289 8.297 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.379 -0.418 8.921 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.202 -0.606 10.457 1.00 0.00 H new ATOM 832 N GLU A 53 -0.071 2.367 10.038 1.00 0.00 N ATOM 833 CA GLU A 53 -0.931 3.439 10.564 1.00 0.00 C ATOM 834 C GLU A 53 -2.102 3.690 9.598 1.00 0.00 C ATOM 835 O GLU A 53 -2.325 4.800 9.108 1.00 0.00 O ATOM 836 CB GLU A 53 -0.099 4.702 10.874 1.00 0.00 C ATOM 837 CG GLU A 53 1.226 4.494 11.624 1.00 0.00 C ATOM 838 CD GLU A 53 1.030 3.992 13.057 1.00 0.00 C ATOM 839 OE1 GLU A 53 1.168 4.791 14.018 1.00 0.00 O ATOM 840 OE2 GLU A 53 0.772 2.783 13.248 1.00 0.00 O ATOM 0 H GLU A 53 0.607 2.713 9.359 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.370 3.133 11.514 1.00 0.00 H new ATOM 0 HB2 GLU A 53 0.120 5.204 9.932 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.718 5.381 11.461 1.00 0.00 H new ATOM 0 HG2 GLU A 53 1.839 3.779 11.075 1.00 0.00 H new ATOM 0 HG3 GLU A 53 1.776 5.435 11.647 1.00 0.00 H new ATOM 848 N TYR A 54 -2.836 2.623 9.265 1.00 0.00 N ATOM 849 CA TYR A 54 -3.845 2.600 8.197 1.00 0.00 C ATOM 850 C TYR A 54 -4.947 3.658 8.379 1.00 0.00 C ATOM 851 O TYR A 54 -5.390 4.258 7.401 1.00 0.00 O ATOM 852 CB TYR A 54 -4.471 1.199 8.110 1.00 0.00 C ATOM 853 CG TYR A 54 -3.493 0.052 8.284 1.00 0.00 C ATOM 854 CD1 TYR A 54 -2.532 -0.224 7.292 1.00 0.00 C ATOM 855 CD2 TYR A 54 -3.525 -0.711 9.467 1.00 0.00 C ATOM 856 CE1 TYR A 54 -1.607 -1.268 7.487 1.00 0.00 C ATOM 857 CE2 TYR A 54 -2.621 -1.773 9.650 1.00 0.00 C ATOM 858 CZ TYR A 54 -1.659 -2.053 8.658 1.00 0.00 C ATOM 859 OH TYR A 54 -0.753 -3.045 8.847 1.00 0.00 O ATOM 0 H TYR A 54 -2.743 1.727 9.743 1.00 0.00 H new ATOM 0 HA TYR A 54 -3.330 2.845 7.268 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -5.246 1.115 8.871 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -4.962 1.095 7.142 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -2.505 0.363 6.386 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -4.246 -0.480 10.237 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -0.855 -1.468 6.738 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -2.664 -2.372 10.548 1.00 0.00 H new ATOM 0 HH TYR A 54 -0.927 -3.488 9.703 1.00 0.00 H new ATOM 869 N THR A 55 -5.329 3.951 9.626 1.00 0.00 N ATOM 870 CA THR A 55 -6.309 4.993 9.979 1.00 0.00 C ATOM 871 C THR A 55 -5.797 6.406 9.662 1.00 0.00 C ATOM 872 O THR A 55 -6.600 7.308 9.418 1.00 0.00 O ATOM 873 CB THR A 55 -6.681 4.889 11.467 1.00 0.00 C ATOM 874 OG1 THR A 55 -7.043 3.565 11.796 1.00 0.00 O ATOM 875 CG2 THR A 55 -7.866 5.764 11.863 1.00 0.00 C ATOM 0 H THR A 55 -4.959 3.461 10.440 1.00 0.00 H new ATOM 0 HA THR A 55 -7.195 4.823 9.368 1.00 0.00 H new ATOM 0 HB THR A 55 -5.791 5.223 12.001 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.275 3.516 12.747 1.00 0.00 H new ATOM 0 HG21 THR A 55 -8.071 5.639 12.926 1.00 0.00 H new ATOM 0 HG22 THR A 55 -7.631 6.809 11.659 1.00 0.00 H new ATOM 0 HG23 THR A 55 -8.744 5.470 11.287 1.00 0.00 H new ATOM 883 N GLN A 56 -4.475 6.611 9.594 1.00 0.00 N ATOM 884 CA GLN A 56 -3.889 7.854 9.071 1.00 0.00 C ATOM 885 C GLN A 56 -3.749 7.799 7.541 1.00 0.00 C ATOM 886 O GLN A 56 -3.946 8.800 6.856 1.00 0.00 O ATOM 887 CB GLN A 56 -2.530 8.164 9.712 1.00 0.00 C ATOM 888 CG GLN A 56 -2.372 7.746 11.176 1.00 0.00 C ATOM 889 CD GLN A 56 -3.485 8.147 12.129 1.00 0.00 C ATOM 890 OE1 GLN A 56 -4.034 9.243 12.116 1.00 0.00 O ATOM 891 NE2 GLN A 56 -3.848 7.254 13.020 1.00 0.00 N ATOM 0 H GLN A 56 -3.784 5.925 9.898 1.00 0.00 H new ATOM 0 HA GLN A 56 -4.575 8.659 9.334 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -1.753 7.671 9.127 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -2.352 9.237 9.639 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -2.271 6.661 11.210 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -1.438 8.165 11.550 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -3.397 6.339 13.038 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -4.581 7.475 13.694 1.00 0.00 H new ATOM 900 N ALA A 57 -3.452 6.619 6.982 1.00 0.00 N ATOM 901 CA ALA A 57 -3.292 6.436 5.539 1.00 0.00 C ATOM 902 C ALA A 57 -4.576 6.763 4.759 1.00 0.00 C ATOM 903 O ALA A 57 -4.509 7.481 3.763 1.00 0.00 O ATOM 904 CB ALA A 57 -2.829 5.005 5.253 1.00 0.00 C ATOM 0 H ALA A 57 -3.316 5.764 7.521 1.00 0.00 H new ATOM 0 HA ALA A 57 -2.535 7.140 5.195 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.710 4.869 4.178 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.875 4.825 5.749 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.572 4.301 5.628 1.00 0.00 H new ATOM 910 N ILE A 58 -5.746 6.305 5.226 1.00 0.00 N ATOM 911 CA ILE A 58 -7.046 6.637 4.608 1.00 0.00 C ATOM 912 C ILE A 58 -7.307 8.153 4.606 1.00 0.00 C ATOM 913 O ILE A 58 -7.724 8.703 3.586 1.00 0.00 O ATOM 914 CB ILE A 58 -8.206 5.844 5.265 1.00 0.00 C ATOM 915 CG1 ILE A 58 -8.389 6.152 6.771 1.00 0.00 C ATOM 916 CG2 ILE A 58 -8.001 4.336 5.027 1.00 0.00 C ATOM 917 CD1 ILE A 58 -9.479 5.332 7.474 1.00 0.00 C ATOM 0 H ILE A 58 -5.822 5.695 6.040 1.00 0.00 H new ATOM 0 HA ILE A 58 -6.999 6.327 3.564 1.00 0.00 H new ATOM 0 HB ILE A 58 -9.130 6.170 4.787 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -7.441 5.979 7.280 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -8.622 7.211 6.884 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -8.817 3.780 5.489 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -7.987 4.135 3.956 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -7.054 4.024 5.467 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -9.530 5.620 8.524 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -10.441 5.522 6.998 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -9.241 4.271 7.400 1.00 0.00 H new ATOM 929 N GLN A 59 -6.957 8.837 5.699 1.00 0.00 N ATOM 930 CA GLN A 59 -7.057 10.291 5.848 1.00 0.00 C ATOM 931 C GLN A 59 -6.119 11.016 4.872 1.00 0.00 C ATOM 932 O GLN A 59 -6.549 11.937 4.173 1.00 0.00 O ATOM 933 CB GLN A 59 -6.825 10.625 7.332 1.00 0.00 C ATOM 934 CG GLN A 59 -6.861 12.110 7.725 1.00 0.00 C ATOM 935 CD GLN A 59 -5.540 12.835 7.475 1.00 0.00 C ATOM 936 OE1 GLN A 59 -4.564 12.644 8.186 1.00 0.00 O ATOM 937 NE2 GLN A 59 -5.454 13.691 6.480 1.00 0.00 N ATOM 0 H GLN A 59 -6.584 8.379 6.531 1.00 0.00 H new ATOM 0 HA GLN A 59 -8.049 10.653 5.577 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -7.579 10.100 7.919 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -5.856 10.221 7.623 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -7.652 12.608 7.164 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -7.118 12.193 8.781 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -6.262 13.859 5.880 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -4.580 14.187 6.308 1.00 0.00 H new ATOM 946 N MET A 60 -4.867 10.566 4.740 1.00 0.00 N ATOM 947 CA MET A 60 -3.901 11.146 3.798 1.00 0.00 C ATOM 948 C MET A 60 -4.273 10.885 2.326 1.00 0.00 C ATOM 949 O MET A 60 -4.049 11.747 1.475 1.00 0.00 O ATOM 950 CB MET A 60 -2.490 10.651 4.142 1.00 0.00 C ATOM 951 CG MET A 60 -1.421 11.427 3.363 1.00 0.00 C ATOM 952 SD MET A 60 0.282 11.128 3.906 1.00 0.00 S ATOM 953 CE MET A 60 0.316 12.128 5.421 1.00 0.00 C ATOM 0 H MET A 60 -4.493 9.788 5.284 1.00 0.00 H new ATOM 0 HA MET A 60 -3.926 12.230 3.908 1.00 0.00 H new ATOM 0 HB2 MET A 60 -2.315 10.761 5.212 1.00 0.00 H new ATOM 0 HB3 MET A 60 -2.410 9.588 3.914 1.00 0.00 H new ATOM 0 HG2 MET A 60 -1.502 11.168 2.307 1.00 0.00 H new ATOM 0 HG3 MET A 60 -1.632 12.493 3.447 1.00 0.00 H new ATOM 0 HE1 MET A 60 1.320 12.112 5.845 1.00 0.00 H new ATOM 0 HE2 MET A 60 0.038 13.155 5.185 1.00 0.00 H new ATOM 0 HE3 MET A 60 -0.390 11.718 6.144 1.00 0.00 H new ATOM 963 N CYS A 61 -4.900 9.747 2.001 1.00 0.00 N ATOM 964 CA CYS A 61 -5.384 9.488 0.640 1.00 0.00 C ATOM 965 C CYS A 61 -6.574 10.389 0.275 1.00 0.00 C ATOM 966 O CYS A 61 -6.581 10.970 -0.808 1.00 0.00 O ATOM 967 CB CYS A 61 -5.724 8.002 0.444 1.00 0.00 C ATOM 968 SG CYS A 61 -4.270 6.957 0.710 1.00 0.00 S ATOM 0 H CYS A 61 -5.084 8.992 2.662 1.00 0.00 H new ATOM 0 HA CYS A 61 -4.573 9.736 -0.045 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -6.515 7.713 1.136 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -6.109 7.844 -0.563 1.00 0.00 H new ATOM 0 HG CYS A 61 -4.013 6.887 1.982 1.00 0.00 H new ATOM 974 N GLN A 62 -7.528 10.578 1.193 1.00 0.00 N ATOM 975 CA GLN A 62 -8.631 11.537 1.030 1.00 0.00 C ATOM 976 C GLN A 62 -8.105 12.976 0.878 1.00 0.00 C ATOM 977 O GLN A 62 -8.521 13.696 -0.026 1.00 0.00 O ATOM 978 CB GLN A 62 -9.601 11.385 2.220 1.00 0.00 C ATOM 979 CG GLN A 62 -10.403 10.071 2.114 1.00 0.00 C ATOM 980 CD GLN A 62 -11.207 9.706 3.363 1.00 0.00 C ATOM 981 OE1 GLN A 62 -10.842 9.962 4.506 1.00 0.00 O ATOM 982 NE2 GLN A 62 -12.332 9.049 3.192 1.00 0.00 N ATOM 0 H GLN A 62 -7.559 10.068 2.076 1.00 0.00 H new ATOM 0 HA GLN A 62 -9.174 11.321 0.110 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -9.041 11.399 3.155 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -10.286 12.232 2.246 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -11.087 10.147 1.269 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -9.712 9.257 1.893 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -12.654 8.826 2.250 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -12.883 8.762 4.001 1.00 0.00 H new ATOM 991 N GLN A 63 -7.091 13.354 1.664 1.00 0.00 N ATOM 992 CA GLN A 63 -6.364 14.618 1.508 1.00 0.00 C ATOM 993 C GLN A 63 -5.658 14.759 0.143 1.00 0.00 C ATOM 994 O GLN A 63 -5.511 15.882 -0.333 1.00 0.00 O ATOM 995 CB GLN A 63 -5.418 14.766 2.715 1.00 0.00 C ATOM 996 CG GLN A 63 -4.430 15.945 2.673 1.00 0.00 C ATOM 997 CD GLN A 63 -3.043 15.526 2.181 1.00 0.00 C ATOM 998 OE1 GLN A 63 -2.173 15.152 2.961 1.00 0.00 O ATOM 999 NE2 GLN A 63 -2.792 15.534 0.889 1.00 0.00 N ATOM 0 H GLN A 63 -6.748 12.783 2.436 1.00 0.00 H new ATOM 0 HA GLN A 63 -7.072 15.447 1.501 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -6.026 14.862 3.615 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -4.845 13.844 2.814 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -4.825 16.723 2.020 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -4.344 16.379 3.669 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -3.509 15.843 0.232 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -1.881 15.231 0.545 1.00 0.00 H new ATOM 1008 N GLY A 64 -5.225 13.680 -0.518 1.00 0.00 N ATOM 1009 CA GLY A 64 -4.650 13.751 -1.873 1.00 0.00 C ATOM 1010 C GLY A 64 -5.684 13.819 -2.999 1.00 0.00 C ATOM 1011 O GLY A 64 -5.414 14.447 -4.018 1.00 0.00 O ATOM 0 H GLY A 64 -5.261 12.736 -0.134 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -4.006 14.628 -1.935 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -4.016 12.878 -2.031 1.00 0.00 H new ATOM 1015 N LEU A 65 -6.891 13.267 -2.830 1.00 0.00 N ATOM 1016 CA LEU A 65 -7.948 13.332 -3.856 1.00 0.00 C ATOM 1017 C LEU A 65 -8.478 14.768 -4.081 1.00 0.00 C ATOM 1018 O LEU A 65 -8.904 15.111 -5.189 1.00 0.00 O ATOM 1019 CB LEU A 65 -9.049 12.308 -3.523 1.00 0.00 C ATOM 1020 CG LEU A 65 -8.568 10.844 -3.658 1.00 0.00 C ATOM 1021 CD1 LEU A 65 -9.585 9.878 -3.055 1.00 0.00 C ATOM 1022 CD2 LEU A 65 -8.340 10.431 -5.115 1.00 0.00 C ATOM 0 H LEU A 65 -7.165 12.765 -1.986 1.00 0.00 H new ATOM 0 HA LEU A 65 -7.520 13.056 -4.820 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -9.400 12.478 -2.505 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -9.900 12.468 -4.185 1.00 0.00 H new ATOM 0 HG LEU A 65 -7.621 10.794 -3.121 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -9.224 8.855 -3.163 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -9.721 10.106 -1.998 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -10.538 9.982 -3.574 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -8.003 9.395 -5.151 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -9.272 10.529 -5.671 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -7.582 11.075 -5.561 1.00 0.00 H new ATOM 1034 N ARG A 66 -8.278 15.661 -3.103 1.00 0.00 N ATOM 1035 CA ARG A 66 -8.429 17.129 -3.234 1.00 0.00 C ATOM 1036 C ARG A 66 -7.552 17.772 -4.329 1.00 0.00 C ATOM 1037 O ARG A 66 -7.783 18.928 -4.670 1.00 0.00 O ATOM 1038 CB ARG A 66 -8.130 17.801 -1.879 1.00 0.00 C ATOM 1039 CG ARG A 66 -9.050 17.309 -0.753 1.00 0.00 C ATOM 1040 CD ARG A 66 -8.685 17.936 0.594 1.00 0.00 C ATOM 1041 NE ARG A 66 -9.403 17.249 1.681 1.00 0.00 N ATOM 1042 CZ ARG A 66 -8.948 16.989 2.892 1.00 0.00 C ATOM 1043 NH1 ARG A 66 -7.846 17.499 3.360 1.00 0.00 N ATOM 1044 NH2 ARG A 66 -9.598 16.172 3.660 1.00 0.00 N ATOM 0 H ARG A 66 -7.997 15.379 -2.164 1.00 0.00 H new ATOM 0 HA ARG A 66 -9.461 17.294 -3.542 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -7.093 17.608 -1.604 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -8.237 18.881 -1.983 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -10.085 17.550 -0.998 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -8.985 16.224 -0.678 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -7.609 17.867 0.757 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -8.940 18.996 0.592 1.00 0.00 H new ATOM 0 HE ARG A 66 -10.354 16.941 1.476 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -7.291 18.131 2.783 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -7.537 17.266 4.304 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -10.457 15.734 3.327 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -9.251 15.967 4.597 1.00 0.00 H new ATOM 1058 N TYR A 67 -6.580 17.041 -4.885 1.00 0.00 N ATOM 1059 CA TYR A 67 -5.609 17.483 -5.896 1.00 0.00 C ATOM 1060 C TYR A 67 -5.770 16.719 -7.240 1.00 0.00 C ATOM 1061 O TYR A 67 -4.777 16.417 -7.898 1.00 0.00 O ATOM 1062 CB TYR A 67 -4.187 17.328 -5.307 1.00 0.00 C ATOM 1063 CG TYR A 67 -3.842 18.155 -4.074 1.00 0.00 C ATOM 1064 CD1 TYR A 67 -4.229 17.706 -2.794 1.00 0.00 C ATOM 1065 CD2 TYR A 67 -3.059 19.325 -4.192 1.00 0.00 C ATOM 1066 CE1 TYR A 67 -3.869 18.435 -1.645 1.00 0.00 C ATOM 1067 CE2 TYR A 67 -2.674 20.043 -3.042 1.00 0.00 C ATOM 1068 CZ TYR A 67 -3.087 19.602 -1.767 1.00 0.00 C ATOM 1069 OH TYR A 67 -2.694 20.278 -0.656 1.00 0.00 O ATOM 0 H TYR A 67 -6.440 16.064 -4.626 1.00 0.00 H new ATOM 0 HA TYR A 67 -5.791 18.531 -6.135 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -4.038 16.277 -5.059 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -3.470 17.576 -6.090 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -4.805 16.798 -2.695 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -2.754 19.671 -5.169 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -4.192 18.101 -0.670 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -2.064 20.929 -3.137 1.00 0.00 H new ATOM 0 HH TYR A 67 -2.161 21.057 -0.919 1.00 0.00 H new ATOM 1079 N THR A 68 -6.994 16.307 -7.622 1.00 0.00 N ATOM 1080 CA THR A 68 -7.222 15.339 -8.733 1.00 0.00 C ATOM 1081 C THR A 68 -8.365 15.648 -9.715 1.00 0.00 C ATOM 1082 O THR A 68 -8.681 14.816 -10.567 1.00 0.00 O ATOM 1083 CB THR A 68 -7.379 13.896 -8.217 1.00 0.00 C ATOM 1084 OG1 THR A 68 -8.560 13.724 -7.462 1.00 0.00 O ATOM 1085 CG2 THR A 68 -6.206 13.439 -7.359 1.00 0.00 C ATOM 0 H THR A 68 -7.854 16.629 -7.177 1.00 0.00 H new ATOM 0 HA THR A 68 -6.308 15.453 -9.316 1.00 0.00 H new ATOM 0 HB THR A 68 -7.421 13.287 -9.120 1.00 0.00 H new ATOM 0 HG1 THR A 68 -8.571 14.365 -6.721 1.00 0.00 H new ATOM 0 HG21 THR A 68 -6.376 12.415 -7.026 1.00 0.00 H new ATOM 0 HG22 THR A 68 -5.288 13.482 -7.945 1.00 0.00 H new ATOM 0 HG23 THR A 68 -6.114 14.092 -6.491 1.00 0.00 H new ATOM 1093 N SER A 69 -8.992 16.827 -9.653 1.00 0.00 N ATOM 1094 CA SER A 69 -10.229 17.125 -10.406 1.00 0.00 C ATOM 1095 C SER A 69 -10.031 17.458 -11.899 1.00 0.00 C ATOM 1096 O SER A 69 -11.002 17.783 -12.584 1.00 0.00 O ATOM 1097 CB SER A 69 -11.017 18.250 -9.721 1.00 0.00 C ATOM 1098 OG SER A 69 -11.393 17.896 -8.402 1.00 0.00 O ATOM 0 H SER A 69 -8.662 17.605 -9.082 1.00 0.00 H new ATOM 0 HA SER A 69 -10.793 16.192 -10.391 1.00 0.00 H new ATOM 0 HB2 SER A 69 -10.412 19.156 -9.696 1.00 0.00 H new ATOM 0 HB3 SER A 69 -11.909 18.478 -10.305 1.00 0.00 H new ATOM 0 HG SER A 69 -11.891 18.635 -7.994 1.00 0.00 H new ATOM 1104 N THR A 70 -8.802 17.403 -12.430 1.00 0.00 N ATOM 1105 CA THR A 70 -8.478 17.794 -13.817 1.00 0.00 C ATOM 1106 C THR A 70 -7.386 16.917 -14.454 1.00 0.00 C ATOM 1107 O THR A 70 -6.572 16.308 -13.756 1.00 0.00 O ATOM 1108 CB THR A 70 -8.155 19.301 -13.885 1.00 0.00 C ATOM 1109 OG1 THR A 70 -7.945 19.741 -15.213 1.00 0.00 O ATOM 1110 CG2 THR A 70 -6.922 19.702 -13.077 1.00 0.00 C ATOM 0 H THR A 70 -7.990 17.081 -11.904 1.00 0.00 H new ATOM 0 HA THR A 70 -9.364 17.614 -14.426 1.00 0.00 H new ATOM 0 HB THR A 70 -9.035 19.777 -13.453 1.00 0.00 H new ATOM 0 HG1 THR A 70 -7.745 20.700 -15.212 1.00 0.00 H new ATOM 0 HG21 THR A 70 -6.758 20.775 -13.173 1.00 0.00 H new ATOM 0 HG22 THR A 70 -7.077 19.451 -12.028 1.00 0.00 H new ATOM 0 HG23 THR A 70 -6.050 19.166 -13.453 1.00 0.00 H new ATOM 1118 N ALA A 71 -7.373 16.854 -15.791 1.00 0.00 N ATOM 1119 CA ALA A 71 -6.629 15.902 -16.628 1.00 0.00 C ATOM 1120 C ALA A 71 -5.112 15.769 -16.351 1.00 0.00 C ATOM 1121 O ALA A 71 -4.538 14.700 -16.565 1.00 0.00 O ATOM 1122 CB ALA A 71 -6.884 16.290 -18.088 1.00 0.00 C ATOM 0 H ALA A 71 -7.916 17.508 -16.354 1.00 0.00 H new ATOM 0 HA ALA A 71 -7.004 14.909 -16.379 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -6.348 15.606 -18.745 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -7.952 16.233 -18.298 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -6.534 17.308 -18.260 1.00 0.00 H new ATOM 1128 N GLU A 72 -4.442 16.808 -15.848 1.00 0.00 N ATOM 1129 CA GLU A 72 -3.015 16.767 -15.474 1.00 0.00 C ATOM 1130 C GLU A 72 -2.711 16.023 -14.154 1.00 0.00 C ATOM 1131 O GLU A 72 -1.545 15.886 -13.767 1.00 0.00 O ATOM 1132 CB GLU A 72 -2.440 18.189 -15.524 1.00 0.00 C ATOM 1133 CG GLU A 72 -2.931 19.139 -14.430 1.00 0.00 C ATOM 1134 CD GLU A 72 -2.760 20.587 -14.897 1.00 0.00 C ATOM 1135 OE1 GLU A 72 -3.721 21.152 -15.479 1.00 0.00 O ATOM 1136 OE2 GLU A 72 -1.642 21.138 -14.757 1.00 0.00 O ATOM 0 H GLU A 72 -4.876 17.717 -15.684 1.00 0.00 H new ATOM 0 HA GLU A 72 -2.501 16.152 -16.213 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -1.354 18.125 -15.464 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -2.680 18.625 -16.494 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -3.979 18.940 -14.204 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -2.369 18.973 -13.511 1.00 0.00 H new ATOM 1144 N HIS A 73 -3.750 15.499 -13.492 1.00 0.00 N ATOM 1145 CA HIS A 73 -3.681 14.757 -12.231 1.00 0.00 C ATOM 1146 C HIS A 73 -4.490 13.432 -12.246 1.00 0.00 C ATOM 1147 O HIS A 73 -4.751 12.858 -11.187 1.00 0.00 O ATOM 1148 CB HIS A 73 -4.116 15.690 -11.086 1.00 0.00 C ATOM 1149 CG HIS A 73 -3.340 16.980 -10.944 1.00 0.00 C ATOM 1150 ND1 HIS A 73 -2.035 17.111 -10.527 1.00 0.00 N ATOM 1151 CD2 HIS A 73 -3.820 18.247 -11.134 1.00 0.00 C ATOM 1152 CE1 HIS A 73 -1.741 18.416 -10.460 1.00 0.00 C ATOM 1153 NE2 HIS A 73 -2.811 19.160 -10.794 1.00 0.00 N ATOM 0 H HIS A 73 -4.705 15.586 -13.839 1.00 0.00 H new ATOM 0 HA HIS A 73 -2.649 14.443 -12.077 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -5.168 15.937 -11.226 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -4.040 15.140 -10.148 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -4.809 18.501 -11.486 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -0.778 18.816 -10.177 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -2.875 20.178 -10.799 1.00 0.00 H new ATOM 1162 N VAL A 74 -4.881 12.887 -13.407 1.00 0.00 N ATOM 1163 CA VAL A 74 -5.627 11.601 -13.473 1.00 0.00 C ATOM 1164 C VAL A 74 -4.792 10.392 -13.039 1.00 0.00 C ATOM 1165 O VAL A 74 -5.337 9.441 -12.481 1.00 0.00 O ATOM 1166 CB VAL A 74 -6.257 11.331 -14.851 1.00 0.00 C ATOM 1167 CG1 VAL A 74 -7.341 12.370 -15.142 1.00 0.00 C ATOM 1168 CG2 VAL A 74 -5.235 11.290 -15.996 1.00 0.00 C ATOM 0 H VAL A 74 -4.698 13.309 -14.318 1.00 0.00 H new ATOM 0 HA VAL A 74 -6.435 11.728 -12.753 1.00 0.00 H new ATOM 0 HB VAL A 74 -6.697 10.335 -14.802 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -7.782 12.172 -16.119 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -8.115 12.313 -14.376 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -6.900 13.367 -15.138 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -5.750 11.096 -16.937 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -4.718 12.248 -16.057 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -4.510 10.498 -15.809 1.00 0.00 H new ATOM 1178 N ALA A 75 -3.466 10.446 -13.198 1.00 0.00 N ATOM 1179 CA ALA A 75 -2.564 9.449 -12.625 1.00 0.00 C ATOM 1180 C ALA A 75 -2.518 9.557 -11.090 1.00 0.00 C ATOM 1181 O ALA A 75 -2.455 8.542 -10.399 1.00 0.00 O ATOM 1182 CB ALA A 75 -1.173 9.613 -13.251 1.00 0.00 C ATOM 0 H ALA A 75 -2.992 11.179 -13.725 1.00 0.00 H new ATOM 0 HA ALA A 75 -2.935 8.450 -12.854 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -0.494 8.872 -12.828 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -1.240 9.470 -14.329 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -0.795 10.613 -13.041 1.00 0.00 H new ATOM 1188 N ILE A 76 -2.638 10.773 -10.542 1.00 0.00 N ATOM 1189 CA ILE A 76 -2.739 11.019 -9.094 1.00 0.00 C ATOM 1190 C ILE A 76 -4.068 10.494 -8.538 1.00 0.00 C ATOM 1191 O ILE A 76 -4.075 9.963 -7.431 1.00 0.00 O ATOM 1192 CB ILE A 76 -2.552 12.519 -8.776 1.00 0.00 C ATOM 1193 CG1 ILE A 76 -1.260 13.118 -9.371 1.00 0.00 C ATOM 1194 CG2 ILE A 76 -2.616 12.803 -7.267 1.00 0.00 C ATOM 1195 CD1 ILE A 76 0.043 12.456 -8.900 1.00 0.00 C ATOM 0 H ILE A 76 -2.668 11.627 -11.098 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.936 10.471 -8.601 1.00 0.00 H new ATOM 0 HB ILE A 76 -3.392 13.015 -9.262 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.313 13.048 -10.457 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -1.221 14.178 -9.121 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -2.479 13.870 -7.091 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -3.586 12.493 -6.879 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -1.828 12.248 -6.759 1.00 0.00 H new ATOM 0 HD11 ILE A 76 0.893 12.947 -9.374 1.00 0.00 H new ATOM 0 HD12 ILE A 76 0.128 12.549 -7.817 1.00 0.00 H new ATOM 0 HD13 ILE A 76 0.035 11.401 -9.174 1.00 0.00 H new ATOM 1207 N ARG A 77 -5.169 10.558 -9.307 1.00 0.00 N ATOM 1208 CA ARG A 77 -6.452 9.922 -8.944 1.00 0.00 C ATOM 1209 C ARG A 77 -6.226 8.445 -8.613 1.00 0.00 C ATOM 1210 O ARG A 77 -6.422 8.049 -7.466 1.00 0.00 O ATOM 1211 CB ARG A 77 -7.497 10.127 -10.062 1.00 0.00 C ATOM 1212 CG ARG A 77 -8.949 9.860 -9.631 1.00 0.00 C ATOM 1213 CD ARG A 77 -9.546 11.044 -8.863 1.00 0.00 C ATOM 1214 NE ARG A 77 -10.976 10.844 -8.561 1.00 0.00 N ATOM 1215 CZ ARG A 77 -11.771 11.707 -7.955 1.00 0.00 C ATOM 1216 NH1 ARG A 77 -11.318 12.831 -7.486 1.00 0.00 N ATOM 1217 NH2 ARG A 77 -13.039 11.467 -7.795 1.00 0.00 N ATOM 0 H ARG A 77 -5.197 11.052 -10.199 1.00 0.00 H new ATOM 0 HA ARG A 77 -6.855 10.399 -8.050 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -7.422 11.151 -10.429 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -7.252 9.470 -10.897 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -9.557 9.656 -10.512 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -8.984 8.968 -9.006 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -8.996 11.187 -7.933 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -9.423 11.955 -9.449 1.00 0.00 H new ATOM 0 HE ARG A 77 -11.389 9.956 -8.847 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -10.329 13.062 -7.582 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -11.951 13.482 -7.022 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -13.441 10.596 -8.141 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -13.632 12.150 -7.323 1.00 0.00 H new ATOM 1231 N SER A 78 -5.707 7.663 -9.561 1.00 0.00 N ATOM 1232 CA SER A 78 -5.366 6.241 -9.387 1.00 0.00 C ATOM 1233 C SER A 78 -4.294 6.006 -8.318 1.00 0.00 C ATOM 1234 O SER A 78 -4.433 5.100 -7.493 1.00 0.00 O ATOM 1235 CB SER A 78 -4.907 5.668 -10.733 1.00 0.00 C ATOM 1236 OG SER A 78 -5.870 5.939 -11.739 1.00 0.00 O ATOM 0 H SER A 78 -5.505 8.007 -10.500 1.00 0.00 H new ATOM 0 HA SER A 78 -6.263 5.729 -9.038 1.00 0.00 H new ATOM 0 HB2 SER A 78 -3.947 6.103 -11.012 1.00 0.00 H new ATOM 0 HB3 SER A 78 -4.756 4.592 -10.645 1.00 0.00 H new ATOM 0 HG SER A 78 -5.564 5.569 -12.593 1.00 0.00 H new ATOM 1242 N LYS A 79 -3.275 6.871 -8.250 1.00 0.00 N ATOM 1243 CA LYS A 79 -2.187 6.781 -7.272 1.00 0.00 C ATOM 1244 C LYS A 79 -2.544 7.313 -5.872 1.00 0.00 C ATOM 1245 O LYS A 79 -1.691 7.260 -4.988 1.00 0.00 O ATOM 1246 CB LYS A 79 -0.885 7.330 -7.899 1.00 0.00 C ATOM 1247 CG LYS A 79 0.364 6.764 -7.206 1.00 0.00 C ATOM 1248 CD LYS A 79 1.650 6.826 -8.040 1.00 0.00 C ATOM 1249 CE LYS A 79 2.326 8.200 -8.045 1.00 0.00 C ATOM 1250 NZ LYS A 79 3.640 8.124 -8.725 1.00 0.00 N ATOM 0 H LYS A 79 -3.183 7.665 -8.883 1.00 0.00 H new ATOM 0 HA LYS A 79 -2.005 5.730 -7.047 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -0.858 7.079 -8.959 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -0.878 8.418 -7.829 1.00 0.00 H new ATOM 0 HG2 LYS A 79 0.525 7.310 -6.276 1.00 0.00 H new ATOM 0 HG3 LYS A 79 0.173 5.725 -6.937 1.00 0.00 H new ATOM 0 HD2 LYS A 79 2.355 6.088 -7.657 1.00 0.00 H new ATOM 0 HD3 LYS A 79 1.418 6.543 -9.067 1.00 0.00 H new ATOM 0 HE2 LYS A 79 1.688 8.925 -8.551 1.00 0.00 H new ATOM 0 HE3 LYS A 79 2.458 8.552 -7.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 4.268 8.864 -8.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 4.065 7.190 -8.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 3.511 8.265 -9.747 1.00 0.00 H new ATOM 1264 N LEU A 80 -3.799 7.720 -5.624 1.00 0.00 N ATOM 1265 CA LEU A 80 -4.432 7.706 -4.293 1.00 0.00 C ATOM 1266 C LEU A 80 -5.559 6.655 -4.163 1.00 0.00 C ATOM 1267 O LEU A 80 -5.697 6.111 -3.067 1.00 0.00 O ATOM 1268 CB LEU A 80 -4.874 9.120 -3.822 1.00 0.00 C ATOM 1269 CG LEU A 80 -3.807 10.050 -3.196 1.00 0.00 C ATOM 1270 CD1 LEU A 80 -2.857 9.342 -2.229 1.00 0.00 C ATOM 1271 CD2 LEU A 80 -2.965 10.765 -4.249 1.00 0.00 C ATOM 0 H LEU A 80 -4.415 8.075 -6.356 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.651 7.386 -3.603 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.304 9.637 -4.680 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -5.674 8.993 -3.092 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.396 10.775 -2.633 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.139 10.060 -1.833 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.429 8.910 -1.408 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.325 8.550 -2.756 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.232 11.404 -3.756 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.448 10.028 -4.864 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.612 11.374 -4.880 1.00 0.00 H new ATOM 1283 N GLN A 81 -6.291 6.277 -5.230 1.00 0.00 N ATOM 1284 CA GLN A 81 -7.267 5.164 -5.184 1.00 0.00 C ATOM 1285 C GLN A 81 -6.617 3.878 -4.662 1.00 0.00 C ATOM 1286 O GLN A 81 -7.048 3.327 -3.651 1.00 0.00 O ATOM 1287 CB GLN A 81 -7.885 4.801 -6.556 1.00 0.00 C ATOM 1288 CG GLN A 81 -8.844 5.788 -7.228 1.00 0.00 C ATOM 1289 CD GLN A 81 -9.904 6.351 -6.298 1.00 0.00 C ATOM 1290 OE1 GLN A 81 -10.722 5.640 -5.729 1.00 0.00 O ATOM 1291 NE2 GLN A 81 -9.930 7.648 -6.122 1.00 0.00 N ATOM 0 H GLN A 81 -6.225 6.729 -6.142 1.00 0.00 H new ATOM 0 HA GLN A 81 -8.051 5.533 -4.523 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -7.063 4.619 -7.248 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -8.416 3.857 -6.437 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -8.266 6.613 -7.645 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -9.336 5.289 -8.063 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -9.249 8.241 -6.596 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -10.632 8.066 -5.511 1.00 0.00 H new ATOM 1300 N TYR A 82 -5.555 3.405 -5.324 1.00 0.00 N ATOM 1301 CA TYR A 82 -4.970 2.102 -4.993 1.00 0.00 C ATOM 1302 C TYR A 82 -4.340 2.107 -3.580 1.00 0.00 C ATOM 1303 O TYR A 82 -4.409 1.107 -2.865 1.00 0.00 O ATOM 1304 CB TYR A 82 -4.023 1.637 -6.123 1.00 0.00 C ATOM 1305 CG TYR A 82 -2.564 1.567 -5.731 1.00 0.00 C ATOM 1306 CD1 TYR A 82 -2.140 0.522 -4.890 1.00 0.00 C ATOM 1307 CD2 TYR A 82 -1.665 2.576 -6.122 1.00 0.00 C ATOM 1308 CE1 TYR A 82 -0.848 0.535 -4.346 1.00 0.00 C ATOM 1309 CE2 TYR A 82 -0.343 2.558 -5.620 1.00 0.00 C ATOM 1310 CZ TYR A 82 0.055 1.558 -4.697 1.00 0.00 C ATOM 1311 OH TYR A 82 1.277 1.604 -4.097 1.00 0.00 O ATOM 0 H TYR A 82 -5.088 3.899 -6.084 1.00 0.00 H new ATOM 0 HA TYR A 82 -5.758 1.351 -4.938 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -4.342 0.652 -6.464 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -4.126 2.317 -6.969 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -2.812 -0.293 -4.663 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -1.981 3.356 -6.799 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -0.545 -0.240 -3.657 1.00 0.00 H new ATOM 0 HE2 TYR A 82 0.365 3.308 -5.940 1.00 0.00 H new ATOM 0 HH TYR A 82 1.974 1.687 -4.781 1.00 0.00 H new ATOM 1321 N ARG A 83 -3.805 3.254 -3.128 1.00 0.00 N ATOM 1322 CA ARG A 83 -3.280 3.433 -1.759 1.00 0.00 C ATOM 1323 C ARG A 83 -4.390 3.268 -0.715 1.00 0.00 C ATOM 1324 O ARG A 83 -4.188 2.590 0.285 1.00 0.00 O ATOM 1325 CB ARG A 83 -2.662 4.826 -1.562 1.00 0.00 C ATOM 1326 CG ARG A 83 -1.732 5.376 -2.643 1.00 0.00 C ATOM 1327 CD ARG A 83 -0.329 4.767 -2.768 1.00 0.00 C ATOM 1328 NE ARG A 83 0.486 5.631 -3.646 1.00 0.00 N ATOM 1329 CZ ARG A 83 1.712 5.439 -4.100 1.00 0.00 C ATOM 1330 NH1 ARG A 83 2.331 4.298 -4.087 1.00 0.00 N ATOM 1331 NH2 ARG A 83 2.378 6.423 -4.622 1.00 0.00 N ATOM 0 H ARG A 83 -3.723 4.091 -3.705 1.00 0.00 H new ATOM 0 HA ARG A 83 -2.515 2.668 -1.626 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -3.480 5.536 -1.437 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -2.107 4.812 -0.624 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -2.233 5.260 -3.604 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -1.617 6.446 -2.471 1.00 0.00 H new ATOM 0 HD2 ARG A 83 0.135 4.682 -1.785 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -0.390 3.760 -3.180 1.00 0.00 H new ATOM 0 HE ARG A 83 0.039 6.498 -3.944 1.00 0.00 H new ATOM 0 HH11 ARG A 83 1.869 3.472 -3.707 1.00 0.00 H new ATOM 0 HH12 ARG A 83 3.279 4.228 -4.456 1.00 0.00 H new ATOM 0 HH21 ARG A 83 1.955 7.349 -4.683 1.00 0.00 H new ATOM 0 HH22 ARG A 83 3.324 6.270 -4.971 1.00 0.00 H new ATOM 1345 N LEU A 84 -5.566 3.852 -0.960 1.00 0.00 N ATOM 1346 CA LEU A 84 -6.750 3.733 -0.104 1.00 0.00 C ATOM 1347 C LEU A 84 -7.297 2.295 -0.108 1.00 0.00 C ATOM 1348 O LEU A 84 -7.601 1.736 0.948 1.00 0.00 O ATOM 1349 CB LEU A 84 -7.775 4.778 -0.590 1.00 0.00 C ATOM 1350 CG LEU A 84 -9.148 4.785 0.105 1.00 0.00 C ATOM 1351 CD1 LEU A 84 -9.054 4.843 1.628 1.00 0.00 C ATOM 1352 CD2 LEU A 84 -9.934 6.015 -0.344 1.00 0.00 C ATOM 0 H LEU A 84 -5.725 4.436 -1.781 1.00 0.00 H new ATOM 0 HA LEU A 84 -6.504 3.936 0.938 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -7.332 5.767 -0.474 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -7.936 4.624 -1.657 1.00 0.00 H new ATOM 0 HG LEU A 84 -9.637 3.852 -0.175 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -10.057 4.845 2.055 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -8.507 3.974 1.992 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -8.531 5.752 1.926 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -10.908 6.024 0.146 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -9.384 6.917 -0.074 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -10.072 5.984 -1.425 1.00 0.00 H new ATOM 1364 N GLU A 85 -7.349 1.665 -1.280 1.00 0.00 N ATOM 1365 CA GLU A 85 -7.725 0.255 -1.457 1.00 0.00 C ATOM 1366 C GLU A 85 -6.778 -0.718 -0.732 1.00 0.00 C ATOM 1367 O GLU A 85 -7.242 -1.735 -0.212 1.00 0.00 O ATOM 1368 CB GLU A 85 -7.747 -0.085 -2.955 1.00 0.00 C ATOM 1369 CG GLU A 85 -8.884 0.579 -3.745 1.00 0.00 C ATOM 1370 CD GLU A 85 -10.249 -0.066 -3.498 1.00 0.00 C ATOM 1371 OE1 GLU A 85 -11.223 0.673 -3.228 1.00 0.00 O ATOM 1372 OE2 GLU A 85 -10.386 -1.307 -3.665 1.00 0.00 O ATOM 0 H GLU A 85 -7.125 2.130 -2.160 1.00 0.00 H new ATOM 0 HA GLU A 85 -8.714 0.133 -1.014 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -6.795 0.211 -3.395 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -7.827 -1.166 -3.068 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -8.935 1.634 -3.478 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -8.654 0.531 -4.809 1.00 0.00 H new ATOM 1380 N LEU A 86 -5.478 -0.414 -0.637 1.00 0.00 N ATOM 1381 CA LEU A 86 -4.516 -1.214 0.123 1.00 0.00 C ATOM 1382 C LEU A 86 -4.295 -0.746 1.563 1.00 0.00 C ATOM 1383 O LEU A 86 -3.814 -1.541 2.360 1.00 0.00 O ATOM 1384 CB LEU A 86 -3.204 -1.371 -0.655 1.00 0.00 C ATOM 1385 CG LEU A 86 -3.330 -2.195 -1.951 1.00 0.00 C ATOM 1386 CD1 LEU A 86 -1.942 -2.572 -2.448 1.00 0.00 C ATOM 1387 CD2 LEU A 86 -4.104 -3.508 -1.802 1.00 0.00 C ATOM 0 H LEU A 86 -5.063 0.401 -1.090 1.00 0.00 H new ATOM 0 HA LEU A 86 -4.967 -2.200 0.235 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -2.822 -0.381 -0.904 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.466 -1.844 -0.008 1.00 0.00 H new ATOM 0 HG LEU A 86 -3.880 -1.553 -2.639 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.030 -3.155 -3.365 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.369 -1.667 -2.647 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.432 -3.165 -1.689 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -4.141 -4.019 -2.764 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -3.604 -4.144 -1.072 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -5.118 -3.296 -1.464 1.00 0.00 H new ATOM 1399 N ALA A 87 -4.749 0.436 1.976 1.00 0.00 N ATOM 1400 CA ALA A 87 -4.846 0.768 3.399 1.00 0.00 C ATOM 1401 C ALA A 87 -5.901 -0.122 4.085 1.00 0.00 C ATOM 1402 O ALA A 87 -5.626 -0.748 5.111 1.00 0.00 O ATOM 1403 CB ALA A 87 -5.175 2.260 3.554 1.00 0.00 C ATOM 0 H ALA A 87 -5.055 1.179 1.348 1.00 0.00 H new ATOM 0 HA ALA A 87 -3.891 0.576 3.888 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -5.248 2.509 4.613 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -4.387 2.856 3.095 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -6.125 2.476 3.065 1.00 0.00 H new ATOM 1409 N GLN A 88 -7.079 -0.267 3.459 1.00 0.00 N ATOM 1410 CA GLN A 88 -8.109 -1.222 3.899 1.00 0.00 C ATOM 1411 C GLN A 88 -7.754 -2.690 3.566 1.00 0.00 C ATOM 1412 O GLN A 88 -8.311 -3.608 4.169 1.00 0.00 O ATOM 1413 CB GLN A 88 -9.494 -0.780 3.394 1.00 0.00 C ATOM 1414 CG GLN A 88 -9.669 -0.865 1.873 1.00 0.00 C ATOM 1415 CD GLN A 88 -10.770 0.050 1.371 1.00 0.00 C ATOM 1416 OE1 GLN A 88 -11.942 -0.298 1.316 1.00 0.00 O ATOM 1417 NE2 GLN A 88 -10.419 1.248 0.981 1.00 0.00 N ATOM 0 H GLN A 88 -7.344 0.273 2.635 1.00 0.00 H new ATOM 0 HA GLN A 88 -8.147 -1.205 4.988 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -10.255 -1.398 3.870 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -9.672 0.247 3.711 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -8.730 -0.602 1.386 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -9.897 -1.893 1.592 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -9.441 1.534 1.029 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -11.123 1.897 0.629 1.00 0.00 H new ATOM 1426 N GLY A 89 -6.786 -2.909 2.664 1.00 0.00 N ATOM 1427 CA GLY A 89 -6.182 -4.209 2.343 1.00 0.00 C ATOM 1428 C GLY A 89 -5.185 -4.702 3.403 1.00 0.00 C ATOM 1429 O GLY A 89 -5.260 -5.840 3.857 1.00 0.00 O ATOM 0 H GLY A 89 -6.385 -2.149 2.114 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -6.973 -4.950 2.228 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -5.672 -4.136 1.382 1.00 0.00 H new ATOM 1433 N ALA A 90 -4.268 -3.837 3.834 1.00 0.00 N ATOM 1434 CA ALA A 90 -3.195 -4.128 4.786 1.00 0.00 C ATOM 1435 C ALA A 90 -3.708 -4.306 6.229 1.00 0.00 C ATOM 1436 O ALA A 90 -3.186 -5.133 6.980 1.00 0.00 O ATOM 1437 CB ALA A 90 -2.177 -2.993 4.656 1.00 0.00 C ATOM 0 H ALA A 90 -4.252 -2.869 3.514 1.00 0.00 H new ATOM 0 HA ALA A 90 -2.730 -5.086 4.553 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -1.352 -3.163 5.348 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -1.794 -2.963 3.636 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -2.658 -2.044 4.891 1.00 0.00 H new ATOM 1443 N VAL A 91 -4.786 -3.602 6.602 1.00 0.00 N ATOM 1444 CA VAL A 91 -5.497 -3.826 7.879 1.00 0.00 C ATOM 1445 C VAL A 91 -6.396 -5.079 7.859 1.00 0.00 C ATOM 1446 O VAL A 91 -6.824 -5.546 8.918 1.00 0.00 O ATOM 1447 CB VAL A 91 -6.289 -2.559 8.269 1.00 0.00 C ATOM 1448 CG1 VAL A 91 -7.597 -2.412 7.489 1.00 0.00 C ATOM 1449 CG2 VAL A 91 -6.593 -2.490 9.768 1.00 0.00 C ATOM 0 H VAL A 91 -5.193 -2.861 6.031 1.00 0.00 H new ATOM 0 HA VAL A 91 -4.744 -4.021 8.643 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.630 -1.731 8.005 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -8.110 -1.504 7.806 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -7.380 -2.353 6.422 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -8.235 -3.275 7.682 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -7.151 -1.579 9.985 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -7.186 -3.357 10.059 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -5.658 -2.485 10.329 1.00 0.00 H new