USER MOD reduce.3.24.130724 H: found=0, std=0, add=710, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 710 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 7 LYS NZ :NH3+ -179:sc= 1.23 (180deg=1.24) USER MOD Set 1.2: A 74 ASN :FLIP amide:sc= -0.0166 F(o=0.34,f=1.2) USER MOD Set 2.1: A 64 HIS : no HD1:sc= -1.56 K(o=-0.077,f=-9.2!) USER MOD Set 2.2: A 79 THR OG1 : rot 139:sc= 1.49 USER MOD Single : A 9 LYS NZ :NH3+ -164:sc= 0.716 (180deg=0.453) USER MOD Single : A 13 TYR OH : rot 122:sc= -0.65 USER MOD Single : A 15 MET CE :methyl 138:sc= -0.568 (180deg=-1.74) USER MOD Single : A 22 SER OG : rot -38:sc= 0.65 USER MOD Single : A 24 LYS NZ :NH3+ -106:sc= 1.24 (180deg=-0.392) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot -160:sc= -0.634 USER MOD Single : A 41 ASN :FLIP amide:sc= 0 F(o=-0.52,f=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl 174:sc= -0.019 (180deg=-0.0991) USER MOD Single : A 44 ASN : amide:sc= -2.84! C(o=-2.8!,f=-4!) USER MOD Single : A 47 LYS NZ :NH3+ 149:sc= 0.792 (180deg=-0.165) USER MOD Single : A 49 MET CE :methyl -105:sc= -0.925 (180deg=-5.84!) USER MOD Single : A 51 TYR OH : rot 128:sc= 0.16 USER MOD Single : A 56 MET CE :methyl -173:sc= -1.67! (180deg=-1.75!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot -26:sc= 0.0644 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.0326 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ -133:sc= -0.78 (180deg=-2.94!) USER MOD Single : A 77 SER OG : rot -1:sc= 0.309 USER MOD Single : A 82 GLN : amide:sc= -0.487 X(o=-0.49,f=-0.77) USER MOD Single : A 84 LYS NZ :NH3+ -140:sc= 0.922 (180deg=0.104) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 39 N GLU A 4 12.061 1.148 0.670 1.00 0.00 N ATOM 40 CA GLU A 4 11.922 0.903 2.121 1.00 0.00 C ATOM 41 C GLU A 4 11.026 1.961 2.769 1.00 0.00 C ATOM 42 O GLU A 4 10.270 1.677 3.701 1.00 0.00 O ATOM 43 CB GLU A 4 13.319 0.930 2.795 1.00 0.00 C ATOM 44 CG GLU A 4 14.380 0.049 2.120 1.00 0.00 C ATOM 45 CD GLU A 4 13.961 -1.422 2.024 1.00 0.00 C ATOM 46 OE1 GLU A 4 13.812 -2.078 3.073 1.00 0.00 O ATOM 47 OE2 GLU A 4 13.747 -1.918 0.903 1.00 0.00 O ATOM 0 HA GLU A 4 11.464 -0.076 2.260 1.00 0.00 H new ATOM 0 HB2 GLU A 4 13.679 1.959 2.811 1.00 0.00 H new ATOM 0 HB3 GLU A 4 13.212 0.614 3.833 1.00 0.00 H new ATOM 0 HG2 GLU A 4 14.579 0.431 1.119 1.00 0.00 H new ATOM 0 HG3 GLU A 4 15.313 0.120 2.679 1.00 0.00 H new ATOM 54 N GLU A 5 11.155 3.180 2.236 1.00 0.00 N ATOM 55 CA GLU A 5 10.399 4.360 2.671 1.00 0.00 C ATOM 56 C GLU A 5 8.914 4.133 2.393 1.00 0.00 C ATOM 57 O GLU A 5 8.080 4.309 3.276 1.00 0.00 O ATOM 58 CB GLU A 5 10.877 5.658 1.938 1.00 0.00 C ATOM 59 CG GLU A 5 12.389 5.998 2.075 1.00 0.00 C ATOM 60 CD GLU A 5 13.322 5.026 1.326 1.00 0.00 C ATOM 61 OE1 GLU A 5 12.966 4.593 0.207 1.00 0.00 O ATOM 62 OE2 GLU A 5 14.379 4.643 1.865 1.00 0.00 O ATOM 0 H GLU A 5 11.802 3.379 1.473 1.00 0.00 H new ATOM 0 HA GLU A 5 10.570 4.499 3.738 1.00 0.00 H new ATOM 0 HB2 GLU A 5 10.641 5.562 0.878 1.00 0.00 H new ATOM 0 HB3 GLU A 5 10.299 6.500 2.318 1.00 0.00 H new ATOM 0 HG2 GLU A 5 12.559 7.008 1.702 1.00 0.00 H new ATOM 0 HG3 GLU A 5 12.656 6.000 3.132 1.00 0.00 H new ATOM 69 N VAL A 6 8.617 3.700 1.152 1.00 0.00 N ATOM 70 CA VAL A 6 7.247 3.404 0.702 1.00 0.00 C ATOM 71 C VAL A 6 6.616 2.337 1.614 1.00 0.00 C ATOM 72 O VAL A 6 5.508 2.517 2.116 1.00 0.00 O ATOM 73 CB VAL A 6 7.229 2.890 -0.789 1.00 0.00 C ATOM 74 CG1 VAL A 6 5.787 2.736 -1.325 1.00 0.00 C ATOM 75 CG2 VAL A 6 8.058 3.800 -1.714 1.00 0.00 C ATOM 0 H VAL A 6 9.324 3.546 0.433 1.00 0.00 H new ATOM 0 HA VAL A 6 6.672 4.328 0.755 1.00 0.00 H new ATOM 0 HB VAL A 6 7.691 1.903 -0.786 1.00 0.00 H new ATOM 0 HG11 VAL A 6 5.818 2.380 -2.355 1.00 0.00 H new ATOM 0 HG12 VAL A 6 5.245 2.019 -0.709 1.00 0.00 H new ATOM 0 HG13 VAL A 6 5.281 3.701 -1.289 1.00 0.00 H new ATOM 0 HG21 VAL A 6 8.022 3.414 -2.733 1.00 0.00 H new ATOM 0 HG22 VAL A 6 7.648 4.810 -1.694 1.00 0.00 H new ATOM 0 HG23 VAL A 6 9.092 3.822 -1.371 1.00 0.00 H new ATOM 85 N LYS A 7 7.385 1.262 1.854 1.00 0.00 N ATOM 86 CA LYS A 7 6.937 0.105 2.624 1.00 0.00 C ATOM 87 C LYS A 7 6.618 0.466 4.084 1.00 0.00 C ATOM 88 O LYS A 7 5.548 0.109 4.571 1.00 0.00 O ATOM 89 CB LYS A 7 7.991 -1.040 2.533 1.00 0.00 C ATOM 90 CG LYS A 7 7.972 -1.775 1.173 1.00 0.00 C ATOM 91 CD LYS A 7 8.962 -2.959 1.073 1.00 0.00 C ATOM 92 CE LYS A 7 10.430 -2.510 1.059 1.00 0.00 C ATOM 93 NZ LYS A 7 11.367 -3.661 1.011 1.00 0.00 N ATOM 0 H LYS A 7 8.343 1.177 1.513 1.00 0.00 H new ATOM 0 HA LYS A 7 6.003 -0.247 2.186 1.00 0.00 H new ATOM 0 HB2 LYS A 7 8.985 -0.625 2.701 1.00 0.00 H new ATOM 0 HB3 LYS A 7 7.807 -1.760 3.331 1.00 0.00 H new ATOM 0 HG2 LYS A 7 6.963 -2.144 0.987 1.00 0.00 H new ATOM 0 HG3 LYS A 7 8.200 -1.059 0.383 1.00 0.00 H new ATOM 0 HD2 LYS A 7 8.801 -3.633 1.915 1.00 0.00 H new ATOM 0 HD3 LYS A 7 8.752 -3.526 0.166 1.00 0.00 H new ATOM 0 HE2 LYS A 7 10.603 -1.866 0.197 1.00 0.00 H new ATOM 0 HE3 LYS A 7 10.635 -1.914 1.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 12.347 -3.312 1.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 11.209 -4.272 1.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 11.202 -4.207 0.141 1.00 0.00 H new ATOM 107 N GLU A 8 7.521 1.192 4.769 1.00 0.00 N ATOM 108 CA GLU A 8 7.336 1.534 6.195 1.00 0.00 C ATOM 109 C GLU A 8 6.168 2.523 6.398 1.00 0.00 C ATOM 110 O GLU A 8 5.431 2.414 7.384 1.00 0.00 O ATOM 111 CB GLU A 8 8.652 2.102 6.790 1.00 0.00 C ATOM 112 CG GLU A 8 9.033 3.501 6.274 1.00 0.00 C ATOM 113 CD GLU A 8 10.320 4.062 6.887 1.00 0.00 C ATOM 114 OE1 GLU A 8 10.416 4.113 8.131 1.00 0.00 O ATOM 115 OE2 GLU A 8 11.218 4.500 6.139 1.00 0.00 O ATOM 0 H GLU A 8 8.384 1.553 4.361 1.00 0.00 H new ATOM 0 HA GLU A 8 7.080 0.618 6.727 1.00 0.00 H new ATOM 0 HB2 GLU A 8 8.558 2.142 7.875 1.00 0.00 H new ATOM 0 HB3 GLU A 8 9.465 1.412 6.566 1.00 0.00 H new ATOM 0 HG2 GLU A 8 9.147 3.459 5.191 1.00 0.00 H new ATOM 0 HG3 GLU A 8 8.214 4.189 6.482 1.00 0.00 H new ATOM 122 N LYS A 9 6.001 3.467 5.451 1.00 0.00 N ATOM 123 CA LYS A 9 4.904 4.447 5.461 1.00 0.00 C ATOM 124 C LYS A 9 3.553 3.733 5.393 1.00 0.00 C ATOM 125 O LYS A 9 2.702 3.891 6.274 1.00 0.00 O ATOM 126 CB LYS A 9 5.063 5.419 4.262 1.00 0.00 C ATOM 127 CG LYS A 9 6.197 6.443 4.437 1.00 0.00 C ATOM 128 CD LYS A 9 6.372 7.352 3.209 1.00 0.00 C ATOM 129 CE LYS A 9 7.543 8.334 3.370 1.00 0.00 C ATOM 130 NZ LYS A 9 7.349 9.241 4.534 1.00 0.00 N ATOM 0 H LYS A 9 6.629 3.569 4.654 1.00 0.00 H new ATOM 0 HA LYS A 9 4.943 5.017 6.389 1.00 0.00 H new ATOM 0 HB2 LYS A 9 5.247 4.838 3.358 1.00 0.00 H new ATOM 0 HB3 LYS A 9 4.124 5.953 4.112 1.00 0.00 H new ATOM 0 HG2 LYS A 9 5.993 7.058 5.313 1.00 0.00 H new ATOM 0 HG3 LYS A 9 7.131 5.915 4.629 1.00 0.00 H new ATOM 0 HD2 LYS A 9 6.537 6.736 2.325 1.00 0.00 H new ATOM 0 HD3 LYS A 9 5.452 7.912 3.041 1.00 0.00 H new ATOM 0 HE2 LYS A 9 8.471 7.776 3.495 1.00 0.00 H new ATOM 0 HE3 LYS A 9 7.648 8.927 2.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 8.000 10.049 4.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 6.368 9.586 4.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 7.544 8.723 5.414 1.00 0.00 H new ATOM 144 N ILE A 10 3.398 2.922 4.342 1.00 0.00 N ATOM 145 CA ILE A 10 2.140 2.240 4.039 1.00 0.00 C ATOM 146 C ILE A 10 1.806 1.200 5.111 1.00 0.00 C ATOM 147 O ILE A 10 0.661 1.146 5.558 1.00 0.00 O ATOM 148 CB ILE A 10 2.193 1.583 2.617 1.00 0.00 C ATOM 149 CG1 ILE A 10 2.411 2.695 1.549 1.00 0.00 C ATOM 150 CG2 ILE A 10 0.924 0.749 2.304 1.00 0.00 C ATOM 151 CD1 ILE A 10 2.659 2.185 0.149 1.00 0.00 C ATOM 0 H ILE A 10 4.145 2.721 3.677 1.00 0.00 H new ATOM 0 HA ILE A 10 1.344 2.985 4.039 1.00 0.00 H new ATOM 0 HB ILE A 10 3.029 0.884 2.594 1.00 0.00 H new ATOM 0 HG12 ILE A 10 1.535 3.343 1.535 1.00 0.00 H new ATOM 0 HG13 ILE A 10 3.258 3.310 1.852 1.00 0.00 H new ATOM 0 HG21 ILE A 10 1.010 0.315 1.308 1.00 0.00 H new ATOM 0 HG22 ILE A 10 0.822 -0.049 3.040 1.00 0.00 H new ATOM 0 HG23 ILE A 10 0.046 1.394 2.344 1.00 0.00 H new ATOM 0 HD11 ILE A 10 2.799 3.029 -0.526 1.00 0.00 H new ATOM 0 HD12 ILE A 10 3.553 1.562 0.142 1.00 0.00 H new ATOM 0 HD13 ILE A 10 1.803 1.595 -0.180 1.00 0.00 H new ATOM 163 N ARG A 11 2.831 0.427 5.568 1.00 0.00 N ATOM 164 CA ARG A 11 2.631 -0.662 6.545 1.00 0.00 C ATOM 165 C ARG A 11 2.128 -0.085 7.858 1.00 0.00 C ATOM 166 O ARG A 11 1.349 -0.718 8.565 1.00 0.00 O ATOM 167 CB ARG A 11 3.931 -1.526 6.729 1.00 0.00 C ATOM 168 CG ARG A 11 5.104 -0.998 7.612 1.00 0.00 C ATOM 169 CD ARG A 11 4.922 -1.211 9.130 1.00 0.00 C ATOM 170 NE ARG A 11 6.187 -1.173 9.877 1.00 0.00 N ATOM 171 CZ ARG A 11 6.988 -0.107 10.045 1.00 0.00 C ATOM 172 NH1 ARG A 11 6.690 1.074 9.511 1.00 0.00 N ATOM 173 NH2 ARG A 11 8.071 -0.227 10.778 1.00 0.00 N ATOM 0 H ARG A 11 3.800 0.544 5.271 1.00 0.00 H new ATOM 0 HA ARG A 11 1.872 -1.344 6.161 1.00 0.00 H new ATOM 0 HB2 ARG A 11 3.625 -2.488 7.140 1.00 0.00 H new ATOM 0 HB3 ARG A 11 4.335 -1.718 5.735 1.00 0.00 H new ATOM 0 HG2 ARG A 11 6.025 -1.490 7.299 1.00 0.00 H new ATOM 0 HG3 ARG A 11 5.231 0.068 7.422 1.00 0.00 H new ATOM 0 HD2 ARG A 11 4.254 -0.443 9.520 1.00 0.00 H new ATOM 0 HD3 ARG A 11 4.436 -2.172 9.300 1.00 0.00 H new ATOM 0 HE ARG A 11 6.488 -2.045 10.313 1.00 0.00 H new ATOM 0 HH11 ARG A 11 5.838 1.185 8.961 1.00 0.00 H new ATOM 0 HH12 ARG A 11 7.313 1.869 9.652 1.00 0.00 H new ATOM 0 HH21 ARG A 11 8.296 -1.122 11.212 1.00 0.00 H new ATOM 0 HH22 ARG A 11 8.687 0.575 10.913 1.00 0.00 H new ATOM 187 N ARG A 12 2.576 1.143 8.144 1.00 0.00 N ATOM 188 CA ARG A 12 2.240 1.844 9.363 1.00 0.00 C ATOM 189 C ARG A 12 0.813 2.349 9.283 1.00 0.00 C ATOM 190 O ARG A 12 0.065 2.217 10.238 1.00 0.00 O ATOM 191 CB ARG A 12 3.256 3.009 9.612 1.00 0.00 C ATOM 192 CG ARG A 12 3.776 3.108 11.054 1.00 0.00 C ATOM 193 CD ARG A 12 4.284 1.753 11.569 1.00 0.00 C ATOM 194 NE ARG A 12 4.830 1.828 12.929 1.00 0.00 N ATOM 195 CZ ARG A 12 5.470 0.829 13.557 1.00 0.00 C ATOM 196 NH1 ARG A 12 5.671 -0.333 12.955 1.00 0.00 N ATOM 197 NH2 ARG A 12 5.901 0.994 14.792 1.00 0.00 N ATOM 0 H ARG A 12 3.187 1.673 7.522 1.00 0.00 H new ATOM 0 HA ARG A 12 2.309 1.162 10.211 1.00 0.00 H new ATOM 0 HB2 ARG A 12 4.106 2.882 8.941 1.00 0.00 H new ATOM 0 HB3 ARG A 12 2.779 3.952 9.346 1.00 0.00 H new ATOM 0 HG2 ARG A 12 4.582 3.840 11.101 1.00 0.00 H new ATOM 0 HG3 ARG A 12 2.979 3.469 11.704 1.00 0.00 H new ATOM 0 HD2 ARG A 12 3.466 1.033 11.550 1.00 0.00 H new ATOM 0 HD3 ARG A 12 5.054 1.379 10.894 1.00 0.00 H new ATOM 0 HE ARG A 12 4.714 2.706 13.436 1.00 0.00 H new ATOM 0 HH11 ARG A 12 5.338 -0.478 12.002 1.00 0.00 H new ATOM 0 HH12 ARG A 12 6.159 -1.083 13.444 1.00 0.00 H new ATOM 0 HH21 ARG A 12 5.748 1.881 15.271 1.00 0.00 H new ATOM 0 HH22 ARG A 12 6.387 0.234 15.268 1.00 0.00 H new ATOM 211 N TYR A 13 0.436 2.886 8.112 1.00 0.00 N ATOM 212 CA TYR A 13 -0.913 3.405 7.877 1.00 0.00 C ATOM 213 C TYR A 13 -1.959 2.269 7.903 1.00 0.00 C ATOM 214 O TYR A 13 -3.121 2.491 8.262 1.00 0.00 O ATOM 215 CB TYR A 13 -0.960 4.161 6.542 1.00 0.00 C ATOM 216 CG TYR A 13 -2.291 4.876 6.300 1.00 0.00 C ATOM 217 CD1 TYR A 13 -2.684 5.950 7.104 1.00 0.00 C ATOM 218 CD2 TYR A 13 -3.153 4.472 5.287 1.00 0.00 C ATOM 219 CE1 TYR A 13 -3.887 6.586 6.899 1.00 0.00 C ATOM 220 CE2 TYR A 13 -4.349 5.106 5.079 1.00 0.00 C ATOM 221 CZ TYR A 13 -4.715 6.161 5.883 1.00 0.00 C ATOM 222 OH TYR A 13 -5.931 6.775 5.689 1.00 0.00 O ATOM 0 H TYR A 13 1.057 2.971 7.307 1.00 0.00 H new ATOM 0 HA TYR A 13 -1.161 4.098 8.681 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -0.152 4.893 6.518 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -0.779 3.459 5.728 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -2.034 6.286 7.898 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -2.875 3.643 4.653 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -4.180 7.412 7.530 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -5.004 4.778 4.285 1.00 0.00 H new ATOM 0 HH TYR A 13 -5.974 7.134 4.778 1.00 0.00 H new ATOM 232 N ILE A 14 -1.526 1.054 7.530 1.00 0.00 N ATOM 233 CA ILE A 14 -2.356 -0.153 7.641 1.00 0.00 C ATOM 234 C ILE A 14 -2.612 -0.473 9.133 1.00 0.00 C ATOM 235 O ILE A 14 -3.660 -0.980 9.484 1.00 0.00 O ATOM 236 CB ILE A 14 -1.678 -1.369 6.909 1.00 0.00 C ATOM 237 CG1 ILE A 14 -1.462 -1.053 5.396 1.00 0.00 C ATOM 238 CG2 ILE A 14 -2.494 -2.673 7.063 1.00 0.00 C ATOM 239 CD1 ILE A 14 -0.437 -1.944 4.726 1.00 0.00 C ATOM 0 H ILE A 14 -0.597 0.883 7.146 1.00 0.00 H new ATOM 0 HA ILE A 14 -3.313 0.029 7.153 1.00 0.00 H new ATOM 0 HB ILE A 14 -0.710 -1.525 7.386 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -2.414 -1.153 4.874 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.150 -0.014 5.292 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -1.986 -3.484 6.541 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.585 -2.923 8.120 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.487 -2.533 6.637 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -0.342 -1.664 3.677 1.00 0.00 H new ATOM 0 HD12 ILE A 14 0.527 -1.826 5.222 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -0.757 -2.984 4.797 1.00 0.00 H new ATOM 251 N MET A 15 -1.644 -0.138 9.996 1.00 0.00 N ATOM 252 CA MET A 15 -1.765 -0.304 11.467 1.00 0.00 C ATOM 253 C MET A 15 -2.586 0.840 12.107 1.00 0.00 C ATOM 254 O MET A 15 -3.245 0.642 13.134 1.00 0.00 O ATOM 255 CB MET A 15 -0.343 -0.348 12.085 1.00 0.00 C ATOM 256 CG MET A 15 0.546 -1.457 11.514 1.00 0.00 C ATOM 257 SD MET A 15 2.293 -1.292 11.932 1.00 0.00 S ATOM 258 CE MET A 15 2.228 -1.295 13.713 1.00 0.00 C ATOM 0 H MET A 15 -0.750 0.257 9.703 1.00 0.00 H new ATOM 0 HA MET A 15 -2.294 -1.235 11.669 1.00 0.00 H new ATOM 0 HB2 MET A 15 0.143 0.614 11.923 1.00 0.00 H new ATOM 0 HB3 MET A 15 -0.430 -0.484 13.163 1.00 0.00 H new ATOM 0 HG2 MET A 15 0.186 -2.419 11.878 1.00 0.00 H new ATOM 0 HG3 MET A 15 0.443 -1.468 10.429 1.00 0.00 H new ATOM 0 HE1 MET A 15 3.039 -1.909 14.106 1.00 0.00 H new ATOM 0 HE2 MET A 15 2.333 -0.275 14.083 1.00 0.00 H new ATOM 0 HE3 MET A 15 1.272 -1.703 14.042 1.00 0.00 H new ATOM 268 N GLU A 16 -2.519 2.032 11.485 1.00 0.00 N ATOM 269 CA GLU A 16 -3.115 3.277 12.009 1.00 0.00 C ATOM 270 C GLU A 16 -4.619 3.377 11.693 1.00 0.00 C ATOM 271 O GLU A 16 -5.446 3.541 12.591 1.00 0.00 O ATOM 272 CB GLU A 16 -2.365 4.494 11.401 1.00 0.00 C ATOM 273 CG GLU A 16 -0.902 4.660 11.866 1.00 0.00 C ATOM 274 CD GLU A 16 -0.780 5.007 13.354 1.00 0.00 C ATOM 275 OE1 GLU A 16 -0.783 6.207 13.695 1.00 0.00 O ATOM 276 OE2 GLU A 16 -0.688 4.085 14.191 1.00 0.00 O ATOM 0 H GLU A 16 -2.043 2.160 10.592 1.00 0.00 H new ATOM 0 HA GLU A 16 -3.012 3.271 13.094 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.377 4.403 10.315 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.915 5.402 11.651 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.357 3.737 11.668 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.426 5.443 11.276 1.00 0.00 H new ATOM 283 N ASP A 17 -4.949 3.306 10.400 1.00 0.00 N ATOM 284 CA ASP A 17 -6.311 3.566 9.882 1.00 0.00 C ATOM 285 C ASP A 17 -7.098 2.262 9.628 1.00 0.00 C ATOM 286 O ASP A 17 -8.277 2.159 9.987 1.00 0.00 O ATOM 287 CB ASP A 17 -6.191 4.390 8.579 1.00 0.00 C ATOM 288 CG ASP A 17 -7.535 4.701 7.893 1.00 0.00 C ATOM 289 OD1 ASP A 17 -8.244 5.630 8.334 1.00 0.00 O ATOM 290 OD2 ASP A 17 -7.882 4.035 6.893 1.00 0.00 O ATOM 0 H ASP A 17 -4.278 3.065 9.671 1.00 0.00 H new ATOM 0 HA ASP A 17 -6.869 4.124 10.634 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -5.686 5.330 8.804 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -5.557 3.847 7.878 1.00 0.00 H new ATOM 295 N LEU A 18 -6.431 1.280 8.986 1.00 0.00 N ATOM 296 CA LEU A 18 -7.083 0.052 8.477 1.00 0.00 C ATOM 297 C LEU A 18 -7.384 -0.955 9.618 1.00 0.00 C ATOM 298 O LEU A 18 -8.541 -1.309 9.863 1.00 0.00 O ATOM 299 CB LEU A 18 -6.205 -0.608 7.361 1.00 0.00 C ATOM 300 CG LEU A 18 -6.157 0.105 5.954 1.00 0.00 C ATOM 301 CD1 LEU A 18 -5.605 1.547 6.010 1.00 0.00 C ATOM 302 CD2 LEU A 18 -5.357 -0.743 4.948 1.00 0.00 C ATOM 0 H LEU A 18 -5.428 1.314 8.806 1.00 0.00 H new ATOM 0 HA LEU A 18 -8.041 0.338 8.042 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.184 -0.681 7.736 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -6.563 -1.626 7.210 1.00 0.00 H new ATOM 0 HG LEU A 18 -7.191 0.190 5.619 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.601 1.974 5.007 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.236 2.153 6.660 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.588 1.532 6.402 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.334 -0.237 3.983 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.338 -0.876 5.313 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.832 -1.718 4.835 1.00 0.00 H new ATOM 314 N ILE A 19 -6.325 -1.413 10.289 1.00 0.00 N ATOM 315 CA ILE A 19 -6.396 -2.462 11.330 1.00 0.00 C ATOM 316 C ILE A 19 -6.383 -1.826 12.729 1.00 0.00 C ATOM 317 O ILE A 19 -5.895 -0.709 12.903 1.00 0.00 O ATOM 318 CB ILE A 19 -5.173 -3.449 11.196 1.00 0.00 C ATOM 319 CG1 ILE A 19 -5.043 -3.984 9.739 1.00 0.00 C ATOM 320 CG2 ILE A 19 -5.258 -4.631 12.183 1.00 0.00 C ATOM 321 CD1 ILE A 19 -3.866 -4.924 9.536 1.00 0.00 C ATOM 0 H ILE A 19 -5.379 -1.067 10.129 1.00 0.00 H new ATOM 0 HA ILE A 19 -7.324 -3.017 11.194 1.00 0.00 H new ATOM 0 HB ILE A 19 -4.283 -2.872 11.447 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -5.962 -4.504 9.469 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -4.943 -3.138 9.058 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.392 -5.280 12.049 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -5.273 -4.252 13.205 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -6.169 -5.198 11.994 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.840 -5.255 8.498 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -2.939 -4.403 9.774 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -3.974 -5.789 10.190 1.00 0.00 H new ATOM 333 N GLY A 20 -6.899 -2.560 13.719 1.00 0.00 N ATOM 334 CA GLY A 20 -6.884 -2.138 15.121 1.00 0.00 C ATOM 335 C GLY A 20 -6.180 -3.167 16.013 1.00 0.00 C ATOM 336 O GLY A 20 -4.973 -3.054 16.223 1.00 0.00 O ATOM 0 H GLY A 20 -7.340 -3.467 13.569 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -6.379 -1.176 15.206 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -7.907 -1.993 15.469 1.00 0.00 H new ATOM 340 N PRO A 21 -6.910 -4.217 16.522 1.00 0.00 N ATOM 341 CA PRO A 21 -6.348 -5.210 17.491 1.00 0.00 C ATOM 342 C PRO A 21 -5.186 -6.060 16.915 1.00 0.00 C ATOM 343 O PRO A 21 -4.264 -6.440 17.649 1.00 0.00 O ATOM 344 CB PRO A 21 -7.579 -6.096 17.850 1.00 0.00 C ATOM 345 CG PRO A 21 -8.537 -5.923 16.703 1.00 0.00 C ATOM 346 CD PRO A 21 -8.338 -4.503 16.208 1.00 0.00 C ATOM 0 HA PRO A 21 -5.895 -4.716 18.350 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -7.291 -7.141 17.969 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -8.030 -5.781 18.791 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -8.334 -6.645 15.912 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -9.566 -6.084 17.025 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -8.538 -4.420 15.140 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -9.007 -3.806 16.713 1.00 0.00 H new ATOM 354 N SER A 22 -5.231 -6.325 15.597 1.00 0.00 N ATOM 355 CA SER A 22 -4.247 -7.185 14.899 1.00 0.00 C ATOM 356 C SER A 22 -3.046 -6.356 14.383 1.00 0.00 C ATOM 357 O SER A 22 -2.421 -6.697 13.368 1.00 0.00 O ATOM 358 CB SER A 22 -4.985 -7.920 13.753 1.00 0.00 C ATOM 359 OG SER A 22 -4.140 -8.816 13.055 1.00 0.00 O ATOM 0 H SER A 22 -5.952 -5.949 14.980 1.00 0.00 H new ATOM 0 HA SER A 22 -3.830 -7.919 15.588 1.00 0.00 H new ATOM 0 HB2 SER A 22 -5.832 -8.469 14.163 1.00 0.00 H new ATOM 0 HB3 SER A 22 -5.388 -7.187 13.055 1.00 0.00 H new ATOM 0 HG SER A 22 -3.248 -8.420 12.962 1.00 0.00 H new ATOM 365 N ALA A 23 -2.691 -5.287 15.119 1.00 0.00 N ATOM 366 CA ALA A 23 -1.629 -4.361 14.729 1.00 0.00 C ATOM 367 C ALA A 23 -0.766 -4.041 15.946 1.00 0.00 C ATOM 368 O ALA A 23 -0.813 -2.938 16.505 1.00 0.00 O ATOM 369 CB ALA A 23 -2.215 -3.098 14.089 1.00 0.00 C ATOM 0 H ALA A 23 -3.139 -5.046 16.003 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.996 -4.828 13.975 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.406 -2.424 13.807 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.786 -3.371 13.201 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -2.871 -2.599 14.803 1.00 0.00 H new ATOM 375 N LYS A 24 -0.001 -5.053 16.376 1.00 0.00 N ATOM 376 CA LYS A 24 1.055 -4.906 17.393 1.00 0.00 C ATOM 377 C LYS A 24 2.167 -3.993 16.819 1.00 0.00 C ATOM 378 O LYS A 24 2.151 -3.744 15.605 1.00 0.00 O ATOM 379 CB LYS A 24 1.584 -6.323 17.772 1.00 0.00 C ATOM 380 CG LYS A 24 2.319 -6.441 19.118 1.00 0.00 C ATOM 381 CD LYS A 24 1.395 -6.191 20.335 1.00 0.00 C ATOM 382 CE LYS A 24 2.030 -6.638 21.670 1.00 0.00 C ATOM 383 NZ LYS A 24 3.355 -6.018 21.910 1.00 0.00 N ATOM 0 H LYS A 24 -0.097 -6.006 16.026 1.00 0.00 H new ATOM 0 HA LYS A 24 0.676 -4.440 18.303 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.739 -7.012 17.783 1.00 0.00 H new ATOM 0 HB3 LYS A 24 2.258 -6.658 16.984 1.00 0.00 H new ATOM 0 HG2 LYS A 24 2.758 -7.435 19.200 1.00 0.00 H new ATOM 0 HG3 LYS A 24 3.142 -5.726 19.140 1.00 0.00 H new ATOM 0 HD2 LYS A 24 1.154 -5.130 20.390 1.00 0.00 H new ATOM 0 HD3 LYS A 24 0.456 -6.724 20.188 1.00 0.00 H new ATOM 0 HE2 LYS A 24 1.360 -6.381 22.490 1.00 0.00 H new ATOM 0 HE3 LYS A 24 2.135 -7.723 21.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 4.102 -6.726 21.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 3.492 -5.226 21.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 3.402 -5.666 22.888 1.00 0.00 H new ATOM 397 N GLU A 25 3.130 -3.528 17.667 1.00 0.00 N ATOM 398 CA GLU A 25 4.134 -2.485 17.280 1.00 0.00 C ATOM 399 C GLU A 25 4.799 -2.739 15.915 1.00 0.00 C ATOM 400 O GLU A 25 5.223 -1.792 15.262 1.00 0.00 O ATOM 401 CB GLU A 25 5.235 -2.279 18.343 1.00 0.00 C ATOM 402 CG GLU A 25 6.097 -3.518 18.680 1.00 0.00 C ATOM 403 CD GLU A 25 5.407 -4.534 19.599 1.00 0.00 C ATOM 404 OE1 GLU A 25 4.640 -4.104 20.483 1.00 0.00 O ATOM 405 OE2 GLU A 25 5.629 -5.752 19.458 1.00 0.00 O ATOM 0 H GLU A 25 3.234 -3.859 18.626 1.00 0.00 H new ATOM 0 HA GLU A 25 3.540 -1.574 17.205 1.00 0.00 H new ATOM 0 HB2 GLU A 25 5.897 -1.483 18.001 1.00 0.00 H new ATOM 0 HB3 GLU A 25 4.764 -1.929 19.261 1.00 0.00 H new ATOM 0 HG2 GLU A 25 6.376 -4.016 17.751 1.00 0.00 H new ATOM 0 HG3 GLU A 25 7.021 -3.186 19.153 1.00 0.00 H new ATOM 412 N ASP A 26 4.882 -4.017 15.518 1.00 0.00 N ATOM 413 CA ASP A 26 5.215 -4.429 14.141 1.00 0.00 C ATOM 414 C ASP A 26 4.585 -5.792 13.821 1.00 0.00 C ATOM 415 O ASP A 26 5.260 -6.824 13.822 1.00 0.00 O ATOM 416 CB ASP A 26 6.757 -4.435 13.880 1.00 0.00 C ATOM 417 CG ASP A 26 7.268 -3.102 13.309 1.00 0.00 C ATOM 418 OD1 ASP A 26 7.093 -2.867 12.099 1.00 0.00 O ATOM 419 OD2 ASP A 26 7.822 -2.273 14.064 1.00 0.00 O ATOM 0 H ASP A 26 4.719 -4.803 16.147 1.00 0.00 H new ATOM 0 HA ASP A 26 4.791 -3.687 13.465 1.00 0.00 H new ATOM 0 HB2 ASP A 26 7.278 -4.649 14.813 1.00 0.00 H new ATOM 0 HB3 ASP A 26 7.001 -5.240 13.186 1.00 0.00 H new ATOM 424 N GLU A 27 3.262 -5.790 13.604 1.00 0.00 N ATOM 425 CA GLU A 27 2.526 -6.957 13.060 1.00 0.00 C ATOM 426 C GLU A 27 2.449 -6.879 11.526 1.00 0.00 C ATOM 427 O GLU A 27 2.041 -7.837 10.862 1.00 0.00 O ATOM 428 CB GLU A 27 1.091 -7.072 13.693 1.00 0.00 C ATOM 429 CG GLU A 27 0.968 -8.099 14.836 1.00 0.00 C ATOM 430 CD GLU A 27 1.281 -9.539 14.408 1.00 0.00 C ATOM 431 OE1 GLU A 27 0.378 -10.226 13.895 1.00 0.00 O ATOM 432 OE2 GLU A 27 2.428 -9.994 14.583 1.00 0.00 O ATOM 0 H GLU A 27 2.667 -4.985 13.798 1.00 0.00 H new ATOM 0 HA GLU A 27 3.076 -7.859 13.329 1.00 0.00 H new ATOM 0 HB2 GLU A 27 0.796 -6.093 14.070 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.383 -7.337 12.908 1.00 0.00 H new ATOM 0 HG2 GLU A 27 1.643 -7.814 15.643 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -0.044 -8.061 15.239 1.00 0.00 H new ATOM 439 N LEU A 28 2.789 -5.710 10.970 1.00 0.00 N ATOM 440 CA LEU A 28 2.837 -5.478 9.522 1.00 0.00 C ATOM 441 C LEU A 28 4.309 -5.416 9.068 1.00 0.00 C ATOM 442 O LEU A 28 5.084 -4.593 9.558 1.00 0.00 O ATOM 443 CB LEU A 28 2.043 -4.180 9.164 1.00 0.00 C ATOM 444 CG LEU A 28 0.494 -4.347 8.975 1.00 0.00 C ATOM 445 CD1 LEU A 28 0.163 -5.303 7.813 1.00 0.00 C ATOM 446 CD2 LEU A 28 -0.206 -4.809 10.271 1.00 0.00 C ATOM 0 H LEU A 28 3.042 -4.889 11.520 1.00 0.00 H new ATOM 0 HA LEU A 28 2.360 -6.299 8.988 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.215 -3.445 9.950 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.458 -3.767 8.245 1.00 0.00 H new ATOM 0 HG LEU A 28 0.107 -3.359 8.725 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.919 -5.393 7.713 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.581 -4.909 6.887 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.592 -6.284 8.016 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.276 -4.910 10.090 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.202 -5.771 10.582 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.039 -4.073 11.057 1.00 0.00 H new ATOM 458 N ASP A 29 4.662 -6.316 8.144 1.00 0.00 N ATOM 459 CA ASP A 29 6.039 -6.531 7.645 1.00 0.00 C ATOM 460 C ASP A 29 6.049 -6.501 6.100 1.00 0.00 C ATOM 461 O ASP A 29 4.983 -6.493 5.466 1.00 0.00 O ATOM 462 CB ASP A 29 6.537 -7.911 8.183 1.00 0.00 C ATOM 463 CG ASP A 29 7.987 -8.272 7.813 1.00 0.00 C ATOM 464 OD1 ASP A 29 8.916 -7.794 8.480 1.00 0.00 O ATOM 465 OD2 ASP A 29 8.208 -9.041 6.846 1.00 0.00 O ATOM 0 H ASP A 29 3.983 -6.937 7.705 1.00 0.00 H new ATOM 0 HA ASP A 29 6.704 -5.741 7.995 1.00 0.00 H new ATOM 0 HB2 ASP A 29 6.444 -7.915 9.269 1.00 0.00 H new ATOM 0 HB3 ASP A 29 5.877 -8.691 7.804 1.00 0.00 H new ATOM 470 N ASP A 30 7.262 -6.528 5.522 1.00 0.00 N ATOM 471 CA ASP A 30 7.497 -6.496 4.066 1.00 0.00 C ATOM 472 C ASP A 30 6.835 -7.702 3.388 1.00 0.00 C ATOM 473 O ASP A 30 6.224 -7.578 2.324 1.00 0.00 O ATOM 474 CB ASP A 30 9.021 -6.531 3.762 1.00 0.00 C ATOM 475 CG ASP A 30 9.823 -5.371 4.371 1.00 0.00 C ATOM 476 OD1 ASP A 30 9.805 -5.214 5.609 1.00 0.00 O ATOM 477 OD2 ASP A 30 10.491 -4.630 3.627 1.00 0.00 O ATOM 0 H ASP A 30 8.125 -6.574 6.064 1.00 0.00 H new ATOM 0 HA ASP A 30 7.064 -5.574 3.678 1.00 0.00 H new ATOM 0 HB2 ASP A 30 9.430 -7.471 4.132 1.00 0.00 H new ATOM 0 HB3 ASP A 30 9.162 -6.525 2.681 1.00 0.00 H new ATOM 482 N GLN A 31 6.935 -8.855 4.056 1.00 0.00 N ATOM 483 CA GLN A 31 6.523 -10.154 3.511 1.00 0.00 C ATOM 484 C GLN A 31 5.272 -10.659 4.233 1.00 0.00 C ATOM 485 O GLN A 31 4.921 -11.834 4.109 1.00 0.00 O ATOM 486 CB GLN A 31 7.684 -11.186 3.610 1.00 0.00 C ATOM 487 CG GLN A 31 8.880 -10.890 2.679 1.00 0.00 C ATOM 488 CD GLN A 31 9.975 -11.961 2.739 1.00 0.00 C ATOM 489 OE1 GLN A 31 10.914 -11.867 3.529 1.00 0.00 O ATOM 490 NE2 GLN A 31 9.856 -12.990 1.916 1.00 0.00 N ATOM 0 H GLN A 31 7.309 -8.914 5.003 1.00 0.00 H new ATOM 0 HA GLN A 31 6.280 -10.028 2.456 1.00 0.00 H new ATOM 0 HB2 GLN A 31 8.040 -11.217 4.640 1.00 0.00 H new ATOM 0 HB3 GLN A 31 7.294 -12.177 3.377 1.00 0.00 H new ATOM 0 HG2 GLN A 31 8.521 -10.805 1.653 1.00 0.00 H new ATOM 0 HG3 GLN A 31 9.310 -9.925 2.947 1.00 0.00 H new ATOM 0 HE21 GLN A 31 9.066 -13.040 1.272 1.00 0.00 H new ATOM 0 HE22 GLN A 31 10.554 -13.734 1.925 1.00 0.00 H new ATOM 499 N THR A 32 4.615 -9.773 5.011 1.00 0.00 N ATOM 500 CA THR A 32 3.279 -10.034 5.530 1.00 0.00 C ATOM 501 C THR A 32 2.295 -10.042 4.335 1.00 0.00 C ATOM 502 O THR A 32 2.178 -9.034 3.621 1.00 0.00 O ATOM 503 CB THR A 32 2.857 -8.976 6.591 1.00 0.00 C ATOM 504 OG1 THR A 32 3.634 -9.149 7.789 1.00 0.00 O ATOM 505 CG2 THR A 32 1.359 -9.021 6.943 1.00 0.00 C ATOM 0 H THR A 32 5.000 -8.870 5.288 1.00 0.00 H new ATOM 0 HA THR A 32 3.267 -11.000 6.035 1.00 0.00 H new ATOM 0 HB THR A 32 3.047 -8.000 6.144 1.00 0.00 H new ATOM 0 HG1 THR A 32 3.174 -8.721 8.542 1.00 0.00 H new ATOM 0 HG21 THR A 32 1.137 -8.257 7.688 1.00 0.00 H new ATOM 0 HG22 THR A 32 0.769 -8.835 6.046 1.00 0.00 H new ATOM 0 HG23 THR A 32 1.109 -10.003 7.345 1.00 0.00 H new ATOM 513 N PRO A 33 1.623 -11.198 4.073 1.00 0.00 N ATOM 514 CA PRO A 33 0.680 -11.336 2.959 1.00 0.00 C ATOM 515 C PRO A 33 -0.626 -10.566 3.241 1.00 0.00 C ATOM 516 O PRO A 33 -1.568 -11.102 3.821 1.00 0.00 O ATOM 517 CB PRO A 33 0.480 -12.865 2.870 1.00 0.00 C ATOM 518 CG PRO A 33 0.699 -13.371 4.269 1.00 0.00 C ATOM 519 CD PRO A 33 1.741 -12.452 4.867 1.00 0.00 C ATOM 0 HA PRO A 33 1.034 -10.915 2.018 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -0.520 -13.112 2.514 1.00 0.00 H new ATOM 0 HB3 PRO A 33 1.187 -13.315 2.173 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -0.226 -13.345 4.846 1.00 0.00 H new ATOM 0 HG3 PRO A 33 1.043 -14.405 4.264 1.00 0.00 H new ATOM 0 HD2 PRO A 33 1.553 -12.272 5.925 1.00 0.00 H new ATOM 0 HD3 PRO A 33 2.741 -12.880 4.789 1.00 0.00 H new ATOM 527 N LEU A 34 -0.632 -9.290 2.827 1.00 0.00 N ATOM 528 CA LEU A 34 -1.697 -8.324 3.132 1.00 0.00 C ATOM 529 C LEU A 34 -3.074 -8.830 2.663 1.00 0.00 C ATOM 530 O LEU A 34 -4.043 -8.859 3.429 1.00 0.00 O ATOM 531 CB LEU A 34 -1.385 -6.970 2.446 1.00 0.00 C ATOM 532 CG LEU A 34 0.024 -6.348 2.728 1.00 0.00 C ATOM 533 CD1 LEU A 34 0.180 -4.993 2.015 1.00 0.00 C ATOM 534 CD2 LEU A 34 0.302 -6.213 4.239 1.00 0.00 C ATOM 0 H LEU A 34 0.118 -8.894 2.260 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.733 -8.197 4.214 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.490 -7.102 1.369 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.143 -6.250 2.754 1.00 0.00 H new ATOM 0 HG LEU A 34 0.768 -7.035 2.323 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.167 -4.582 2.227 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.068 -5.133 0.940 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.585 -4.303 2.373 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.290 -5.777 4.390 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.452 -5.569 4.691 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.265 -7.198 4.705 1.00 0.00 H new ATOM 546 N LEU A 35 -3.127 -9.243 1.394 1.00 0.00 N ATOM 547 CA LEU A 35 -4.365 -9.700 0.753 1.00 0.00 C ATOM 548 C LEU A 35 -4.850 -11.036 1.354 1.00 0.00 C ATOM 549 O LEU A 35 -6.057 -11.289 1.440 1.00 0.00 O ATOM 550 CB LEU A 35 -4.138 -9.848 -0.762 1.00 0.00 C ATOM 551 CG LEU A 35 -5.426 -9.922 -1.624 1.00 0.00 C ATOM 552 CD1 LEU A 35 -6.201 -8.583 -1.569 1.00 0.00 C ATOM 553 CD2 LEU A 35 -5.093 -10.332 -3.064 1.00 0.00 C ATOM 0 H LEU A 35 -2.313 -9.270 0.781 1.00 0.00 H new ATOM 0 HA LEU A 35 -5.140 -8.955 0.934 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.539 -9.005 -1.106 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.551 -10.750 -0.938 1.00 0.00 H new ATOM 0 HG LEU A 35 -6.078 -10.691 -1.209 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -7.100 -8.658 -2.180 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -6.480 -8.366 -0.538 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.569 -7.781 -1.950 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.010 -10.378 -3.651 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.417 -9.599 -3.504 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -4.614 -11.311 -3.062 1.00 0.00 H new ATOM 565 N GLU A 36 -3.882 -11.865 1.782 1.00 0.00 N ATOM 566 CA GLU A 36 -4.147 -13.176 2.401 1.00 0.00 C ATOM 567 C GLU A 36 -4.733 -12.988 3.819 1.00 0.00 C ATOM 568 O GLU A 36 -5.522 -13.806 4.290 1.00 0.00 O ATOM 569 CB GLU A 36 -2.838 -13.998 2.451 1.00 0.00 C ATOM 570 CG GLU A 36 -3.013 -15.504 2.714 1.00 0.00 C ATOM 571 CD GLU A 36 -3.704 -16.226 1.548 1.00 0.00 C ATOM 572 OE1 GLU A 36 -3.083 -16.372 0.481 1.00 0.00 O ATOM 573 OE2 GLU A 36 -4.865 -16.650 1.690 1.00 0.00 O ATOM 0 H GLU A 36 -2.889 -11.644 1.708 1.00 0.00 H new ATOM 0 HA GLU A 36 -4.879 -13.718 1.802 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.313 -13.871 1.504 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -2.198 -13.583 3.229 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -2.036 -15.955 2.889 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.598 -15.646 3.623 1.00 0.00 H new ATOM 580 N TRP A 37 -4.318 -11.895 4.491 1.00 0.00 N ATOM 581 CA TRP A 37 -4.922 -11.453 5.767 1.00 0.00 C ATOM 582 C TRP A 37 -6.346 -10.898 5.540 1.00 0.00 C ATOM 583 O TRP A 37 -7.145 -10.855 6.478 1.00 0.00 O ATOM 584 CB TRP A 37 -4.029 -10.367 6.449 1.00 0.00 C ATOM 585 CG TRP A 37 -2.790 -10.887 7.152 1.00 0.00 C ATOM 586 CD1 TRP A 37 -1.937 -11.865 6.724 1.00 0.00 C ATOM 587 CD2 TRP A 37 -2.268 -10.434 8.417 1.00 0.00 C ATOM 588 NE1 TRP A 37 -0.928 -12.045 7.634 1.00 0.00 N ATOM 589 CE2 TRP A 37 -1.111 -11.184 8.684 1.00 0.00 C ATOM 590 CE3 TRP A 37 -2.679 -9.469 9.348 1.00 0.00 C ATOM 591 CZ2 TRP A 37 -0.353 -11.001 9.837 1.00 0.00 C ATOM 592 CZ3 TRP A 37 -1.923 -9.285 10.495 1.00 0.00 C ATOM 593 CH2 TRP A 37 -0.772 -10.049 10.729 1.00 0.00 C ATOM 0 H TRP A 37 -3.559 -11.296 4.168 1.00 0.00 H new ATOM 0 HA TRP A 37 -4.989 -12.320 6.425 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -3.720 -9.647 5.691 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -4.636 -9.825 7.174 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -2.043 -12.417 5.802 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -0.163 -12.713 7.544 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -3.568 -8.880 9.174 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 0.534 -11.589 10.022 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -2.225 -8.542 11.219 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -0.203 -9.884 11.632 1.00 0.00 H new ATOM 604 N GLY A 38 -6.645 -10.474 4.293 1.00 0.00 N ATOM 605 CA GLY A 38 -7.949 -9.900 3.948 1.00 0.00 C ATOM 606 C GLY A 38 -8.133 -8.485 4.474 1.00 0.00 C ATOM 607 O GLY A 38 -9.260 -7.996 4.569 1.00 0.00 O ATOM 0 H GLY A 38 -5.993 -10.522 3.510 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -8.063 -9.896 2.864 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -8.738 -10.536 4.349 1.00 0.00 H new ATOM 611 N ILE A 39 -7.011 -7.830 4.802 1.00 0.00 N ATOM 612 CA ILE A 39 -6.992 -6.472 5.372 1.00 0.00 C ATOM 613 C ILE A 39 -7.126 -5.404 4.274 1.00 0.00 C ATOM 614 O ILE A 39 -7.314 -4.227 4.577 1.00 0.00 O ATOM 615 CB ILE A 39 -5.701 -6.234 6.224 1.00 0.00 C ATOM 616 CG1 ILE A 39 -4.422 -6.366 5.339 1.00 0.00 C ATOM 617 CG2 ILE A 39 -5.678 -7.219 7.422 1.00 0.00 C ATOM 618 CD1 ILE A 39 -3.107 -6.219 6.074 1.00 0.00 C ATOM 0 H ILE A 39 -6.081 -8.230 4.679 1.00 0.00 H new ATOM 0 HA ILE A 39 -7.854 -6.382 6.034 1.00 0.00 H new ATOM 0 HB ILE A 39 -5.712 -5.218 6.619 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -4.438 -7.340 4.849 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -4.466 -5.613 4.552 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.778 -7.051 8.014 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -6.557 -7.055 8.045 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -5.682 -8.244 7.051 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -2.282 -6.327 5.369 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.059 -5.235 6.541 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -3.031 -6.989 6.842 1.00 0.00 H new ATOM 630 N LEU A 40 -7.000 -5.831 2.997 1.00 0.00 N ATOM 631 CA LEU A 40 -7.110 -4.935 1.839 1.00 0.00 C ATOM 632 C LEU A 40 -8.431 -5.200 1.116 1.00 0.00 C ATOM 633 O LEU A 40 -8.532 -6.090 0.268 1.00 0.00 O ATOM 634 CB LEU A 40 -5.913 -5.108 0.866 1.00 0.00 C ATOM 635 CG LEU A 40 -4.500 -4.798 1.447 1.00 0.00 C ATOM 636 CD1 LEU A 40 -3.433 -4.829 0.339 1.00 0.00 C ATOM 637 CD2 LEU A 40 -4.480 -3.454 2.204 1.00 0.00 C ATOM 0 H LEU A 40 -6.820 -6.804 2.748 1.00 0.00 H new ATOM 0 HA LEU A 40 -7.089 -3.906 2.197 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.915 -6.135 0.501 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.077 -4.462 0.003 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.261 -5.579 2.168 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.456 -4.610 0.769 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.414 -5.817 -0.120 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.672 -4.082 -0.418 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.479 -3.271 2.595 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.756 -2.649 1.523 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -5.191 -3.491 3.030 1.00 0.00 H new ATOM 649 N ASN A 41 -9.457 -4.456 1.535 1.00 0.00 N ATOM 650 CA ASN A 41 -10.787 -4.465 0.898 1.00 0.00 C ATOM 651 C ASN A 41 -11.070 -3.086 0.300 1.00 0.00 C ATOM 652 O ASN A 41 -10.401 -2.113 0.647 1.00 0.00 O ATOM 653 CB ASN A 41 -11.878 -4.866 1.928 1.00 0.00 C ATOM 654 CG ASN A 41 -11.700 -6.281 2.508 1.00 0.00 C ATOM 655 OD1 ASN A 41 -11.193 -7.226 1.716 1.00 0.00 O flip ATOM 656 ND2 ASN A 41 -12.046 -6.530 3.663 1.00 0.00 N flip ATOM 0 H ASN A 41 -9.393 -3.823 2.332 1.00 0.00 H new ATOM 0 HA ASN A 41 -10.803 -5.204 0.097 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -11.873 -4.146 2.746 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -12.856 -4.800 1.451 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -12.431 -5.791 4.251 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -11.947 -7.476 4.032 1.00 0.00 H new ATOM 663 N SER A 42 -12.096 -3.016 -0.565 1.00 0.00 N ATOM 664 CA SER A 42 -12.389 -1.828 -1.390 1.00 0.00 C ATOM 665 C SER A 42 -12.697 -0.563 -0.550 1.00 0.00 C ATOM 666 O SER A 42 -12.436 0.563 -0.997 1.00 0.00 O ATOM 667 CB SER A 42 -13.549 -2.139 -2.340 1.00 0.00 C ATOM 668 OG SER A 42 -13.694 -1.129 -3.324 1.00 0.00 O ATOM 0 H SER A 42 -12.750 -3.785 -0.713 1.00 0.00 H new ATOM 0 HA SER A 42 -11.489 -1.600 -1.961 1.00 0.00 H new ATOM 0 HB2 SER A 42 -13.377 -3.100 -2.825 1.00 0.00 H new ATOM 0 HB3 SER A 42 -14.474 -2.230 -1.770 1.00 0.00 H new ATOM 0 HG SER A 42 -14.441 -1.355 -3.917 1.00 0.00 H new ATOM 673 N MET A 43 -13.229 -0.757 0.667 1.00 0.00 N ATOM 674 CA MET A 43 -13.572 0.351 1.573 1.00 0.00 C ATOM 675 C MET A 43 -12.302 1.035 2.123 1.00 0.00 C ATOM 676 O MET A 43 -12.210 2.263 2.146 1.00 0.00 O ATOM 677 CB MET A 43 -14.472 -0.169 2.722 1.00 0.00 C ATOM 678 CG MET A 43 -14.996 0.917 3.681 1.00 0.00 C ATOM 679 SD MET A 43 -15.860 2.270 2.836 1.00 0.00 S ATOM 680 CE MET A 43 -17.143 1.424 1.902 1.00 0.00 C ATOM 0 H MET A 43 -13.433 -1.681 1.049 1.00 0.00 H new ATOM 0 HA MET A 43 -14.125 1.103 1.011 1.00 0.00 H new ATOM 0 HB2 MET A 43 -15.325 -0.691 2.288 1.00 0.00 H new ATOM 0 HB3 MET A 43 -13.910 -0.902 3.300 1.00 0.00 H new ATOM 0 HG2 MET A 43 -15.673 0.458 4.402 1.00 0.00 H new ATOM 0 HG3 MET A 43 -14.159 1.327 4.246 1.00 0.00 H new ATOM 0 HE1 MET A 43 -17.797 2.160 1.433 1.00 0.00 H new ATOM 0 HE2 MET A 43 -16.684 0.804 1.132 1.00 0.00 H new ATOM 0 HE3 MET A 43 -17.727 0.795 2.574 1.00 0.00 H new ATOM 690 N ASN A 44 -11.326 0.227 2.558 1.00 0.00 N ATOM 691 CA ASN A 44 -10.075 0.744 3.155 1.00 0.00 C ATOM 692 C ASN A 44 -8.986 1.012 2.098 1.00 0.00 C ATOM 693 O ASN A 44 -8.033 1.751 2.376 1.00 0.00 O ATOM 694 CB ASN A 44 -9.552 -0.215 4.246 1.00 0.00 C ATOM 695 CG ASN A 44 -9.217 -1.609 3.721 1.00 0.00 C ATOM 696 OD1 ASN A 44 -10.061 -2.498 3.715 1.00 0.00 O ATOM 697 ND2 ASN A 44 -7.996 -1.789 3.236 1.00 0.00 N ATOM 0 H ASN A 44 -11.374 -0.791 2.510 1.00 0.00 H new ATOM 0 HA ASN A 44 -10.315 1.702 3.615 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -8.661 0.217 4.702 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -10.302 -0.302 5.032 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -7.732 -2.691 2.840 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -7.321 -1.025 3.258 1.00 0.00 H new ATOM 704 N ILE A 45 -9.137 0.417 0.893 1.00 0.00 N ATOM 705 CA ILE A 45 -8.118 0.485 -0.181 1.00 0.00 C ATOM 706 C ILE A 45 -7.940 1.938 -0.678 1.00 0.00 C ATOM 707 O ILE A 45 -6.845 2.346 -1.073 1.00 0.00 O ATOM 708 CB ILE A 45 -8.488 -0.472 -1.401 1.00 0.00 C ATOM 709 CG1 ILE A 45 -7.221 -0.896 -2.201 1.00 0.00 C ATOM 710 CG2 ILE A 45 -9.535 0.151 -2.356 1.00 0.00 C ATOM 711 CD1 ILE A 45 -6.333 -1.892 -1.487 1.00 0.00 C ATOM 0 H ILE A 45 -9.965 -0.122 0.638 1.00 0.00 H new ATOM 0 HA ILE A 45 -7.175 0.141 0.244 1.00 0.00 H new ATOM 0 HB ILE A 45 -8.937 -1.360 -0.957 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -7.534 -1.325 -3.153 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -6.636 -0.005 -2.430 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -9.748 -0.546 -3.167 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -10.453 0.358 -1.805 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -9.143 1.080 -2.769 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -5.475 -2.131 -2.116 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -5.985 -1.462 -0.548 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -6.898 -2.802 -1.282 1.00 0.00 H new ATOM 723 N VAL A 46 -9.049 2.703 -0.623 1.00 0.00 N ATOM 724 CA VAL A 46 -9.106 4.085 -1.104 1.00 0.00 C ATOM 725 C VAL A 46 -8.314 5.029 -0.176 1.00 0.00 C ATOM 726 O VAL A 46 -7.755 6.031 -0.643 1.00 0.00 O ATOM 727 CB VAL A 46 -10.595 4.559 -1.270 1.00 0.00 C ATOM 728 CG1 VAL A 46 -11.332 3.680 -2.319 1.00 0.00 C ATOM 729 CG2 VAL A 46 -11.351 4.557 0.081 1.00 0.00 C ATOM 0 H VAL A 46 -9.933 2.370 -0.239 1.00 0.00 H new ATOM 0 HA VAL A 46 -8.635 4.121 -2.086 1.00 0.00 H new ATOM 0 HB VAL A 46 -10.577 5.588 -1.630 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -12.362 4.022 -2.421 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -10.826 3.760 -3.281 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -11.326 2.640 -1.991 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -12.377 4.891 -0.076 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -11.357 3.548 0.493 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -10.853 5.231 0.778 1.00 0.00 H new ATOM 739 N LYS A 47 -8.249 4.683 1.135 1.00 0.00 N ATOM 740 CA LYS A 47 -7.441 5.431 2.108 1.00 0.00 C ATOM 741 C LYS A 47 -5.943 5.204 1.868 1.00 0.00 C ATOM 742 O LYS A 47 -5.134 6.085 2.173 1.00 0.00 O ATOM 743 CB LYS A 47 -7.840 5.119 3.581 1.00 0.00 C ATOM 744 CG LYS A 47 -9.097 5.893 4.076 1.00 0.00 C ATOM 745 CD LYS A 47 -10.431 5.177 3.765 1.00 0.00 C ATOM 746 CE LYS A 47 -10.674 3.972 4.684 1.00 0.00 C ATOM 747 NZ LYS A 47 -10.682 4.356 6.121 1.00 0.00 N ATOM 0 H LYS A 47 -8.750 3.889 1.534 1.00 0.00 H new ATOM 0 HA LYS A 47 -7.651 6.489 1.951 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -8.024 4.049 3.678 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -6.999 5.358 4.232 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -9.019 6.044 5.153 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -9.109 6.881 3.615 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -11.254 5.884 3.872 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -10.429 4.845 2.727 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -11.626 3.508 4.428 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -9.899 3.225 4.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -11.323 3.727 6.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -9.721 4.271 6.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -11.008 5.339 6.216 1.00 0.00 H new ATOM 761 N LEU A 48 -5.571 4.027 1.328 1.00 0.00 N ATOM 762 CA LEU A 48 -4.194 3.777 0.898 1.00 0.00 C ATOM 763 C LEU A 48 -3.855 4.659 -0.311 1.00 0.00 C ATOM 764 O LEU A 48 -2.819 5.314 -0.304 1.00 0.00 O ATOM 765 CB LEU A 48 -3.952 2.273 0.584 1.00 0.00 C ATOM 766 CG LEU A 48 -3.917 1.324 1.819 1.00 0.00 C ATOM 767 CD1 LEU A 48 -3.694 -0.137 1.388 1.00 0.00 C ATOM 768 CD2 LEU A 48 -2.844 1.769 2.842 1.00 0.00 C ATOM 0 H LEU A 48 -6.206 3.242 1.182 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.528 4.039 1.720 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -4.735 1.931 -0.092 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -3.007 2.180 0.050 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.888 1.386 2.309 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.674 -0.777 2.270 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.505 -0.450 0.730 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.745 -0.219 0.858 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.846 1.086 3.691 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.862 1.757 2.368 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.067 2.778 3.188 1.00 0.00 H new ATOM 780 N MET A 49 -4.761 4.708 -1.317 1.00 0.00 N ATOM 781 CA MET A 49 -4.554 5.506 -2.558 1.00 0.00 C ATOM 782 C MET A 49 -4.173 6.963 -2.235 1.00 0.00 C ATOM 783 O MET A 49 -3.198 7.493 -2.771 1.00 0.00 O ATOM 784 CB MET A 49 -5.835 5.538 -3.424 1.00 0.00 C ATOM 785 CG MET A 49 -6.409 4.184 -3.820 1.00 0.00 C ATOM 786 SD MET A 49 -8.005 4.376 -4.638 1.00 0.00 S ATOM 787 CE MET A 49 -8.524 2.683 -4.846 1.00 0.00 C ATOM 0 H MET A 49 -5.647 4.203 -1.296 1.00 0.00 H new ATOM 0 HA MET A 49 -3.743 5.021 -3.102 1.00 0.00 H new ATOM 0 HB2 MET A 49 -6.602 6.091 -2.882 1.00 0.00 H new ATOM 0 HB3 MET A 49 -5.621 6.099 -4.333 1.00 0.00 H new ATOM 0 HG2 MET A 49 -5.715 3.670 -4.485 1.00 0.00 H new ATOM 0 HG3 MET A 49 -6.523 3.559 -2.934 1.00 0.00 H new ATOM 0 HE1 MET A 49 -8.404 2.391 -5.889 1.00 0.00 H new ATOM 0 HE2 MET A 49 -7.914 2.035 -4.216 1.00 0.00 H new ATOM 0 HE3 MET A 49 -9.571 2.586 -4.560 1.00 0.00 H new ATOM 797 N VAL A 50 -4.963 7.572 -1.331 1.00 0.00 N ATOM 798 CA VAL A 50 -4.808 8.985 -0.944 1.00 0.00 C ATOM 799 C VAL A 50 -3.574 9.195 -0.039 1.00 0.00 C ATOM 800 O VAL A 50 -2.955 10.265 -0.076 1.00 0.00 O ATOM 801 CB VAL A 50 -6.097 9.556 -0.239 1.00 0.00 C ATOM 802 CG1 VAL A 50 -7.346 9.396 -1.145 1.00 0.00 C ATOM 803 CG2 VAL A 50 -6.327 8.911 1.151 1.00 0.00 C ATOM 0 H VAL A 50 -5.726 7.097 -0.849 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.659 9.539 -1.871 1.00 0.00 H new ATOM 0 HB VAL A 50 -5.933 10.621 -0.077 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -8.220 9.798 -0.634 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -7.190 9.937 -2.078 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -7.506 8.340 -1.361 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -7.225 9.332 1.603 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -6.449 7.834 1.037 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -5.469 9.113 1.792 1.00 0.00 H new ATOM 813 N TYR A 51 -3.233 8.172 0.775 1.00 0.00 N ATOM 814 CA TYR A 51 -2.053 8.210 1.651 1.00 0.00 C ATOM 815 C TYR A 51 -0.773 8.317 0.812 1.00 0.00 C ATOM 816 O TYR A 51 0.063 9.183 1.027 1.00 0.00 O ATOM 817 CB TYR A 51 -1.992 6.936 2.522 1.00 0.00 C ATOM 818 CG TYR A 51 -0.793 6.925 3.479 1.00 0.00 C ATOM 819 CD1 TYR A 51 -0.763 7.763 4.601 1.00 0.00 C ATOM 820 CD2 TYR A 51 0.312 6.102 3.249 1.00 0.00 C ATOM 821 CE1 TYR A 51 0.325 7.780 5.450 1.00 0.00 C ATOM 822 CE2 TYR A 51 1.392 6.116 4.095 1.00 0.00 C ATOM 823 CZ TYR A 51 1.396 6.955 5.199 1.00 0.00 C ATOM 824 OH TYR A 51 2.488 6.982 6.040 1.00 0.00 O ATOM 0 H TYR A 51 -3.767 7.305 0.840 1.00 0.00 H new ATOM 0 HA TYR A 51 -2.133 9.083 2.298 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -2.913 6.852 3.100 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -1.942 6.061 1.874 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -1.606 8.407 4.805 1.00 0.00 H new ATOM 0 HD2 TYR A 51 0.316 5.445 2.392 1.00 0.00 H new ATOM 0 HE1 TYR A 51 0.335 8.438 6.307 1.00 0.00 H new ATOM 0 HE2 TYR A 51 2.239 5.474 3.901 1.00 0.00 H new ATOM 0 HH TYR A 51 2.692 6.072 6.341 1.00 0.00 H new ATOM 834 N ILE A 52 -0.673 7.407 -0.152 1.00 0.00 N ATOM 835 CA ILE A 52 0.476 7.264 -1.056 1.00 0.00 C ATOM 836 C ILE A 52 0.537 8.448 -2.043 1.00 0.00 C ATOM 837 O ILE A 52 1.616 8.864 -2.469 1.00 0.00 O ATOM 838 CB ILE A 52 0.319 5.896 -1.797 1.00 0.00 C ATOM 839 CG1 ILE A 52 0.210 4.737 -0.745 1.00 0.00 C ATOM 840 CG2 ILE A 52 1.466 5.636 -2.784 1.00 0.00 C ATOM 841 CD1 ILE A 52 -0.476 3.493 -1.250 1.00 0.00 C ATOM 0 H ILE A 52 -1.409 6.725 -0.336 1.00 0.00 H new ATOM 0 HA ILE A 52 1.414 7.275 -0.501 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.597 5.935 -2.387 1.00 0.00 H new ATOM 0 HG12 ILE A 52 1.213 4.472 -0.410 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -0.330 5.105 0.127 1.00 0.00 H new ATOM 0 HG21 ILE A 52 1.313 4.675 -3.274 1.00 0.00 H new ATOM 0 HG22 ILE A 52 1.487 6.427 -3.534 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.413 5.622 -2.245 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.506 2.746 -0.456 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.493 3.737 -1.557 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.074 3.095 -2.102 1.00 0.00 H new ATOM 853 N ARG A 53 -0.650 8.972 -2.384 1.00 0.00 N ATOM 854 CA ARG A 53 -0.818 10.215 -3.166 1.00 0.00 C ATOM 855 C ARG A 53 -0.177 11.417 -2.449 1.00 0.00 C ATOM 856 O ARG A 53 0.418 12.290 -3.090 1.00 0.00 O ATOM 857 CB ARG A 53 -2.333 10.455 -3.409 1.00 0.00 C ATOM 858 CG ARG A 53 -2.704 11.808 -4.046 1.00 0.00 C ATOM 859 CD ARG A 53 -4.201 11.909 -4.383 1.00 0.00 C ATOM 860 NE ARG A 53 -4.560 13.251 -4.887 1.00 0.00 N ATOM 861 CZ ARG A 53 -4.663 13.615 -6.181 1.00 0.00 C ATOM 862 NH1 ARG A 53 -4.443 12.740 -7.164 1.00 0.00 N ATOM 863 NH2 ARG A 53 -4.987 14.859 -6.476 1.00 0.00 N ATOM 0 H ARG A 53 -1.536 8.540 -2.122 1.00 0.00 H new ATOM 0 HA ARG A 53 -0.309 10.107 -4.124 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -2.710 9.658 -4.050 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.853 10.369 -2.455 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -2.433 12.614 -3.364 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.120 11.950 -4.955 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -4.457 11.159 -5.132 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -4.790 11.685 -3.494 1.00 0.00 H new ATOM 0 HE ARG A 53 -4.748 13.971 -4.189 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -4.192 11.777 -6.942 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -4.526 13.035 -8.137 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -5.156 15.533 -5.729 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -5.068 15.147 -7.451 1.00 0.00 H new ATOM 877 N ASP A 54 -0.305 11.442 -1.119 1.00 0.00 N ATOM 878 CA ASP A 54 0.203 12.535 -0.275 1.00 0.00 C ATOM 879 C ASP A 54 1.705 12.350 0.043 1.00 0.00 C ATOM 880 O ASP A 54 2.480 13.311 0.014 1.00 0.00 O ATOM 881 CB ASP A 54 -0.631 12.575 1.024 1.00 0.00 C ATOM 882 CG ASP A 54 -0.267 13.736 1.966 1.00 0.00 C ATOM 883 OD1 ASP A 54 -0.846 14.834 1.824 1.00 0.00 O ATOM 884 OD2 ASP A 54 0.583 13.553 2.859 1.00 0.00 O ATOM 0 H ASP A 54 -0.767 10.701 -0.591 1.00 0.00 H new ATOM 0 HA ASP A 54 0.106 13.480 -0.810 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.687 12.649 0.764 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.500 11.633 1.557 1.00 0.00 H new ATOM 889 N GLU A 55 2.088 11.099 0.351 1.00 0.00 N ATOM 890 CA GLU A 55 3.461 10.740 0.777 1.00 0.00 C ATOM 891 C GLU A 55 4.389 10.540 -0.444 1.00 0.00 C ATOM 892 O GLU A 55 5.283 11.354 -0.698 1.00 0.00 O ATOM 893 CB GLU A 55 3.434 9.438 1.631 1.00 0.00 C ATOM 894 CG GLU A 55 2.671 9.533 2.960 1.00 0.00 C ATOM 895 CD GLU A 55 3.371 10.422 3.991 1.00 0.00 C ATOM 896 OE1 GLU A 55 4.504 10.083 4.398 1.00 0.00 O ATOM 897 OE2 GLU A 55 2.811 11.464 4.395 1.00 0.00 O ATOM 0 H GLU A 55 1.454 10.301 0.313 1.00 0.00 H new ATOM 0 HA GLU A 55 3.852 11.561 1.378 1.00 0.00 H new ATOM 0 HB2 GLU A 55 2.990 8.642 1.034 1.00 0.00 H new ATOM 0 HB3 GLU A 55 4.461 9.142 1.843 1.00 0.00 H new ATOM 0 HG2 GLU A 55 1.671 9.924 2.771 1.00 0.00 H new ATOM 0 HG3 GLU A 55 2.549 8.532 3.375 1.00 0.00 H new ATOM 904 N MET A 56 4.144 9.448 -1.200 1.00 0.00 N ATOM 905 CA MET A 56 4.991 9.031 -2.348 1.00 0.00 C ATOM 906 C MET A 56 4.736 9.914 -3.585 1.00 0.00 C ATOM 907 O MET A 56 5.559 9.947 -4.511 1.00 0.00 O ATOM 908 CB MET A 56 4.744 7.526 -2.692 1.00 0.00 C ATOM 909 CG MET A 56 5.652 6.537 -1.950 1.00 0.00 C ATOM 910 SD MET A 56 5.632 6.707 -0.151 1.00 0.00 S ATOM 911 CE MET A 56 3.965 6.190 0.237 1.00 0.00 C ATOM 0 H MET A 56 3.352 8.827 -1.034 1.00 0.00 H new ATOM 0 HA MET A 56 6.033 9.158 -2.056 1.00 0.00 H new ATOM 0 HB2 MET A 56 3.706 7.283 -2.467 1.00 0.00 H new ATOM 0 HB3 MET A 56 4.879 7.387 -3.765 1.00 0.00 H new ATOM 0 HG2 MET A 56 5.351 5.522 -2.210 1.00 0.00 H new ATOM 0 HG3 MET A 56 6.675 6.667 -2.303 1.00 0.00 H new ATOM 0 HE1 MET A 56 3.768 6.361 1.295 1.00 0.00 H new ATOM 0 HE2 MET A 56 3.257 6.764 -0.361 1.00 0.00 H new ATOM 0 HE3 MET A 56 3.852 5.129 0.014 1.00 0.00 H new ATOM 921 N GLY A 57 3.583 10.602 -3.590 1.00 0.00 N ATOM 922 CA GLY A 57 3.184 11.454 -4.697 1.00 0.00 C ATOM 923 C GLY A 57 2.603 10.674 -5.862 1.00 0.00 C ATOM 924 O GLY A 57 2.667 11.133 -7.008 1.00 0.00 O ATOM 0 H GLY A 57 2.910 10.576 -2.824 1.00 0.00 H new ATOM 0 HA2 GLY A 57 2.447 12.176 -4.346 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.048 12.022 -5.041 1.00 0.00 H new ATOM 928 N VAL A 58 2.025 9.486 -5.576 1.00 0.00 N ATOM 929 CA VAL A 58 1.351 8.669 -6.593 1.00 0.00 C ATOM 930 C VAL A 58 -0.038 8.233 -6.108 1.00 0.00 C ATOM 931 O VAL A 58 -0.189 7.578 -5.068 1.00 0.00 O ATOM 932 CB VAL A 58 2.192 7.415 -7.052 1.00 0.00 C ATOM 933 CG1 VAL A 58 2.511 6.437 -5.923 1.00 0.00 C ATOM 934 CG2 VAL A 58 1.488 6.702 -8.232 1.00 0.00 C ATOM 0 H VAL A 58 2.016 9.076 -4.642 1.00 0.00 H new ATOM 0 HA VAL A 58 1.245 9.307 -7.470 1.00 0.00 H new ATOM 0 HB VAL A 58 3.158 7.795 -7.384 1.00 0.00 H new ATOM 0 HG11 VAL A 58 3.091 5.603 -6.317 1.00 0.00 H new ATOM 0 HG12 VAL A 58 3.088 6.947 -5.152 1.00 0.00 H new ATOM 0 HG13 VAL A 58 1.582 6.062 -5.493 1.00 0.00 H new ATOM 0 HG21 VAL A 58 2.078 5.839 -8.540 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.498 6.372 -7.919 1.00 0.00 H new ATOM 0 HG23 VAL A 58 1.392 7.393 -9.070 1.00 0.00 H new ATOM 944 N SER A 59 -1.062 8.636 -6.861 1.00 0.00 N ATOM 945 CA SER A 59 -2.436 8.209 -6.619 1.00 0.00 C ATOM 946 C SER A 59 -2.688 6.895 -7.365 1.00 0.00 C ATOM 947 O SER A 59 -2.516 6.833 -8.590 1.00 0.00 O ATOM 948 CB SER A 59 -3.425 9.295 -7.073 1.00 0.00 C ATOM 949 OG SER A 59 -4.752 8.972 -6.697 1.00 0.00 O ATOM 0 H SER A 59 -0.960 9.268 -7.655 1.00 0.00 H new ATOM 0 HA SER A 59 -2.587 8.050 -5.551 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.143 10.253 -6.635 1.00 0.00 H new ATOM 0 HB3 SER A 59 -3.369 9.411 -8.155 1.00 0.00 H new ATOM 0 HG SER A 59 -5.359 9.681 -6.997 1.00 0.00 H new ATOM 955 N ILE A 60 -3.058 5.845 -6.624 1.00 0.00 N ATOM 956 CA ILE A 60 -3.389 4.543 -7.205 1.00 0.00 C ATOM 957 C ILE A 60 -4.802 4.600 -7.817 1.00 0.00 C ATOM 958 O ILE A 60 -5.764 4.871 -7.087 1.00 0.00 O ATOM 959 CB ILE A 60 -3.333 3.401 -6.134 1.00 0.00 C ATOM 960 CG1 ILE A 60 -1.923 3.326 -5.472 1.00 0.00 C ATOM 961 CG2 ILE A 60 -3.735 2.038 -6.750 1.00 0.00 C ATOM 962 CD1 ILE A 60 -1.818 2.289 -4.360 1.00 0.00 C ATOM 0 H ILE A 60 -3.136 5.875 -5.607 1.00 0.00 H new ATOM 0 HA ILE A 60 -2.651 4.320 -7.975 1.00 0.00 H new ATOM 0 HB ILE A 60 -4.056 3.638 -5.354 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.184 3.098 -6.240 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -1.670 4.306 -5.067 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -3.687 1.264 -5.984 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -4.751 2.100 -7.140 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -3.050 1.789 -7.561 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -0.808 2.297 -3.949 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -2.532 2.527 -3.572 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.038 1.300 -4.763 1.00 0.00 H new ATOM 974 N PRO A 61 -4.958 4.362 -9.155 1.00 0.00 N ATOM 975 CA PRO A 61 -6.295 4.249 -9.773 1.00 0.00 C ATOM 976 C PRO A 61 -7.028 2.965 -9.325 1.00 0.00 C ATOM 977 O PRO A 61 -6.388 1.954 -9.002 1.00 0.00 O ATOM 978 CB PRO A 61 -5.994 4.247 -11.293 1.00 0.00 C ATOM 979 CG PRO A 61 -4.580 3.734 -11.408 1.00 0.00 C ATOM 980 CD PRO A 61 -3.863 4.225 -10.165 1.00 0.00 C ATOM 0 HA PRO A 61 -6.964 5.058 -9.481 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -6.692 3.607 -11.833 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -6.087 5.247 -11.715 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -4.562 2.646 -11.466 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -4.099 4.110 -12.311 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -3.101 3.518 -9.836 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -3.360 5.176 -10.342 1.00 0.00 H new ATOM 988 N SER A 62 -8.368 3.015 -9.329 1.00 0.00 N ATOM 989 CA SER A 62 -9.220 1.883 -8.915 1.00 0.00 C ATOM 990 C SER A 62 -9.092 0.697 -9.895 1.00 0.00 C ATOM 991 O SER A 62 -9.241 -0.458 -9.500 1.00 0.00 O ATOM 992 CB SER A 62 -10.689 2.335 -8.784 1.00 0.00 C ATOM 993 OG SER A 62 -11.152 2.936 -9.980 1.00 0.00 O ATOM 0 H SER A 62 -8.894 3.839 -9.619 1.00 0.00 H new ATOM 0 HA SER A 62 -8.877 1.540 -7.939 1.00 0.00 H new ATOM 0 HB2 SER A 62 -11.315 1.477 -8.540 1.00 0.00 H new ATOM 0 HB3 SER A 62 -10.782 3.042 -7.960 1.00 0.00 H new ATOM 0 HG SER A 62 -12.086 3.211 -9.868 1.00 0.00 H new ATOM 999 N THR A 63 -8.774 1.007 -11.166 1.00 0.00 N ATOM 1000 CA THR A 63 -8.543 -0.002 -12.218 1.00 0.00 C ATOM 1001 C THR A 63 -7.234 -0.800 -11.973 1.00 0.00 C ATOM 1002 O THR A 63 -7.032 -1.863 -12.559 1.00 0.00 O ATOM 1003 CB THR A 63 -8.512 0.677 -13.636 1.00 0.00 C ATOM 1004 OG1 THR A 63 -8.440 -0.319 -14.673 1.00 0.00 O ATOM 1005 CG2 THR A 63 -7.335 1.669 -13.785 1.00 0.00 C ATOM 0 H THR A 63 -8.670 1.967 -11.494 1.00 0.00 H new ATOM 0 HA THR A 63 -9.372 -0.708 -12.181 1.00 0.00 H new ATOM 0 HB THR A 63 -9.439 1.242 -13.736 1.00 0.00 H new ATOM 0 HG1 THR A 63 -8.018 -1.130 -14.319 1.00 0.00 H new ATOM 0 HG21 THR A 63 -7.356 2.112 -14.781 1.00 0.00 H new ATOM 0 HG22 THR A 63 -7.425 2.456 -13.036 1.00 0.00 H new ATOM 0 HG23 THR A 63 -6.393 1.140 -13.644 1.00 0.00 H new ATOM 1013 N HIS A 64 -6.358 -0.271 -11.097 1.00 0.00 N ATOM 1014 CA HIS A 64 -5.083 -0.922 -10.729 1.00 0.00 C ATOM 1015 C HIS A 64 -5.276 -1.979 -9.609 1.00 0.00 C ATOM 1016 O HIS A 64 -4.396 -2.829 -9.403 1.00 0.00 O ATOM 1017 CB HIS A 64 -4.062 0.168 -10.283 1.00 0.00 C ATOM 1018 CG HIS A 64 -2.813 -0.369 -9.680 1.00 0.00 C ATOM 1019 ND1 HIS A 64 -2.683 -0.575 -8.327 1.00 0.00 N ATOM 1020 CD2 HIS A 64 -1.641 -0.745 -10.225 1.00 0.00 C ATOM 1021 CE1 HIS A 64 -1.505 -1.055 -8.075 1.00 0.00 C ATOM 1022 NE2 HIS A 64 -0.852 -1.180 -9.211 1.00 0.00 N ATOM 0 H HIS A 64 -6.513 0.619 -10.624 1.00 0.00 H new ATOM 0 HA HIS A 64 -4.701 -1.450 -11.603 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -3.800 0.778 -11.147 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -4.545 0.827 -9.562 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -1.378 -0.707 -11.272 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -1.124 -1.309 -7.097 1.00 0.00 H new ATOM 0 HE2 HIS A 64 0.095 -1.545 -9.312 1.00 0.00 H new ATOM 1031 N ILE A 65 -6.414 -1.919 -8.883 1.00 0.00 N ATOM 1032 CA ILE A 65 -6.625 -2.732 -7.663 1.00 0.00 C ATOM 1033 C ILE A 65 -6.797 -4.215 -8.040 1.00 0.00 C ATOM 1034 O ILE A 65 -7.852 -4.609 -8.541 1.00 0.00 O ATOM 1035 CB ILE A 65 -7.860 -2.234 -6.818 1.00 0.00 C ATOM 1036 CG1 ILE A 65 -7.800 -0.688 -6.580 1.00 0.00 C ATOM 1037 CG2 ILE A 65 -7.953 -2.998 -5.467 1.00 0.00 C ATOM 1038 CD1 ILE A 65 -6.533 -0.181 -5.923 1.00 0.00 C ATOM 0 H ILE A 65 -7.202 -1.316 -9.120 1.00 0.00 H new ATOM 0 HA ILE A 65 -5.740 -2.616 -7.037 1.00 0.00 H new ATOM 0 HB ILE A 65 -8.761 -2.448 -7.392 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -7.918 -0.185 -7.540 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -8.650 -0.399 -5.962 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -8.813 -2.636 -4.903 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -8.068 -4.065 -5.659 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -7.044 -2.829 -4.890 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -6.593 0.901 -5.804 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -6.418 -0.648 -4.945 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.675 -0.430 -6.547 1.00 0.00 H new ATOM 1050 N THR A 66 -5.732 -5.008 -7.834 1.00 0.00 N ATOM 1051 CA THR A 66 -5.709 -6.440 -8.185 1.00 0.00 C ATOM 1052 C THR A 66 -4.696 -7.202 -7.308 1.00 0.00 C ATOM 1053 O THR A 66 -3.768 -6.603 -6.749 1.00 0.00 O ATOM 1054 CB THR A 66 -5.395 -6.645 -9.708 1.00 0.00 C ATOM 1055 OG1 THR A 66 -5.388 -8.043 -10.045 1.00 0.00 O ATOM 1056 CG2 THR A 66 -4.062 -6.002 -10.115 1.00 0.00 C ATOM 0 H THR A 66 -4.862 -4.675 -7.419 1.00 0.00 H new ATOM 0 HA THR A 66 -6.701 -6.848 -7.992 1.00 0.00 H new ATOM 0 HB THR A 66 -6.189 -6.147 -10.264 1.00 0.00 H new ATOM 0 HG1 THR A 66 -5.192 -8.148 -10.999 1.00 0.00 H new ATOM 0 HG21 THR A 66 -3.887 -6.170 -11.178 1.00 0.00 H new ATOM 0 HG22 THR A 66 -4.100 -4.931 -9.918 1.00 0.00 H new ATOM 0 HG23 THR A 66 -3.252 -6.449 -9.539 1.00 0.00 H new ATOM 1064 N GLY A 67 -4.872 -8.535 -7.249 1.00 0.00 N ATOM 1065 CA GLY A 67 -4.149 -9.406 -6.318 1.00 0.00 C ATOM 1066 C GLY A 67 -2.630 -9.364 -6.431 1.00 0.00 C ATOM 1067 O GLY A 67 -1.932 -9.313 -5.412 1.00 0.00 O ATOM 0 H GLY A 67 -5.525 -9.036 -7.852 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.429 -9.134 -5.300 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -4.480 -10.432 -6.476 1.00 0.00 H new ATOM 1071 N LYS A 68 -2.129 -9.360 -7.677 1.00 0.00 N ATOM 1072 CA LYS A 68 -0.683 -9.378 -7.976 1.00 0.00 C ATOM 1073 C LYS A 68 0.056 -8.165 -7.367 1.00 0.00 C ATOM 1074 O LYS A 68 1.184 -8.295 -6.892 1.00 0.00 O ATOM 1075 CB LYS A 68 -0.457 -9.471 -9.514 1.00 0.00 C ATOM 1076 CG LYS A 68 -1.163 -8.378 -10.348 1.00 0.00 C ATOM 1077 CD LYS A 68 -1.108 -8.661 -11.871 1.00 0.00 C ATOM 1078 CE LYS A 68 -1.927 -7.642 -12.683 1.00 0.00 C ATOM 1079 NZ LYS A 68 -1.932 -7.943 -14.135 1.00 0.00 N ATOM 0 H LYS A 68 -2.716 -9.344 -8.511 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.255 -10.264 -7.506 1.00 0.00 H new ATOM 0 HB2 LYS A 68 0.614 -9.422 -9.712 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -0.800 -10.447 -9.858 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -2.204 -8.302 -10.034 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -0.698 -7.414 -10.144 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -0.071 -8.639 -12.205 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -1.485 -9.665 -12.066 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -2.953 -7.630 -12.315 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -1.519 -6.644 -12.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -2.497 -7.228 -14.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -0.957 -7.929 -14.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -2.346 -8.884 -14.293 1.00 0.00 H new ATOM 1093 N TYR A 69 -0.612 -7.007 -7.349 1.00 0.00 N ATOM 1094 CA TYR A 69 -0.025 -5.747 -6.859 1.00 0.00 C ATOM 1095 C TYR A 69 -0.322 -5.504 -5.367 1.00 0.00 C ATOM 1096 O TYR A 69 0.282 -4.617 -4.762 1.00 0.00 O ATOM 1097 CB TYR A 69 -0.547 -4.569 -7.724 1.00 0.00 C ATOM 1098 CG TYR A 69 -0.133 -4.624 -9.208 1.00 0.00 C ATOM 1099 CD1 TYR A 69 1.142 -5.054 -9.599 1.00 0.00 C ATOM 1100 CD2 TYR A 69 -1.014 -4.227 -10.213 1.00 0.00 C ATOM 1101 CE1 TYR A 69 1.509 -5.081 -10.931 1.00 0.00 C ATOM 1102 CE2 TYR A 69 -0.652 -4.256 -11.543 1.00 0.00 C ATOM 1103 CZ TYR A 69 0.611 -4.683 -11.898 1.00 0.00 C ATOM 1104 OH TYR A 69 0.981 -4.707 -13.227 1.00 0.00 O ATOM 0 H TYR A 69 -1.575 -6.913 -7.673 1.00 0.00 H new ATOM 0 HA TYR A 69 1.059 -5.819 -6.951 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -1.635 -4.548 -7.665 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -0.187 -3.634 -7.295 1.00 0.00 H new ATOM 0 HD1 TYR A 69 1.850 -5.370 -8.847 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -2.004 -3.889 -9.943 1.00 0.00 H new ATOM 0 HE1 TYR A 69 2.497 -5.413 -11.214 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -1.354 -3.946 -12.303 1.00 0.00 H new ATOM 0 HH TYR A 69 0.234 -4.397 -13.780 1.00 0.00 H new ATOM 1114 N PHE A 70 -1.249 -6.282 -4.774 1.00 0.00 N ATOM 1115 CA PHE A 70 -1.743 -6.040 -3.395 1.00 0.00 C ATOM 1116 C PHE A 70 -1.607 -7.285 -2.508 1.00 0.00 C ATOM 1117 O PHE A 70 -2.206 -7.345 -1.429 1.00 0.00 O ATOM 1118 CB PHE A 70 -3.218 -5.539 -3.449 1.00 0.00 C ATOM 1119 CG PHE A 70 -3.338 -4.099 -3.962 1.00 0.00 C ATOM 1120 CD1 PHE A 70 -3.235 -3.026 -3.086 1.00 0.00 C ATOM 1121 CD2 PHE A 70 -3.502 -3.821 -5.312 1.00 0.00 C ATOM 1122 CE1 PHE A 70 -3.293 -1.727 -3.543 1.00 0.00 C ATOM 1123 CE2 PHE A 70 -3.553 -2.525 -5.766 1.00 0.00 C ATOM 1124 CZ PHE A 70 -3.449 -1.479 -4.882 1.00 0.00 C ATOM 0 H PHE A 70 -1.676 -7.089 -5.228 1.00 0.00 H new ATOM 0 HA PHE A 70 -1.122 -5.268 -2.939 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -3.798 -6.199 -4.094 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -3.655 -5.603 -2.453 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -3.107 -3.213 -2.030 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -3.591 -4.635 -6.016 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -3.216 -0.905 -2.847 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -3.675 -2.328 -6.821 1.00 0.00 H new ATOM 0 HZ PHE A 70 -3.490 -0.462 -5.242 1.00 0.00 H new ATOM 1134 N LYS A 71 -0.781 -8.250 -2.947 1.00 0.00 N ATOM 1135 CA LYS A 71 -0.585 -9.526 -2.226 1.00 0.00 C ATOM 1136 C LYS A 71 0.210 -9.309 -0.930 1.00 0.00 C ATOM 1137 O LYS A 71 -0.168 -9.825 0.122 1.00 0.00 O ATOM 1138 CB LYS A 71 0.113 -10.575 -3.126 1.00 0.00 C ATOM 1139 CG LYS A 71 1.429 -10.101 -3.775 1.00 0.00 C ATOM 1140 CD LYS A 71 2.145 -11.186 -4.616 1.00 0.00 C ATOM 1141 CE LYS A 71 1.335 -11.672 -5.840 1.00 0.00 C ATOM 1142 NZ LYS A 71 0.201 -12.576 -5.498 1.00 0.00 N ATOM 0 H LYS A 71 -0.233 -8.172 -3.804 1.00 0.00 H new ATOM 0 HA LYS A 71 -1.570 -9.911 -1.961 1.00 0.00 H new ATOM 0 HB2 LYS A 71 0.318 -11.464 -2.530 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -0.578 -10.873 -3.915 1.00 0.00 H new ATOM 0 HG2 LYS A 71 1.219 -9.242 -4.413 1.00 0.00 H new ATOM 0 HG3 LYS A 71 2.105 -9.758 -2.992 1.00 0.00 H new ATOM 0 HD2 LYS A 71 3.101 -10.792 -4.960 1.00 0.00 H new ATOM 0 HD3 LYS A 71 2.364 -12.041 -3.976 1.00 0.00 H new ATOM 0 HE2 LYS A 71 0.946 -10.804 -6.373 1.00 0.00 H new ATOM 0 HE3 LYS A 71 2.006 -12.191 -6.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 0.214 -13.403 -6.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 0.294 -12.891 -4.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -0.697 -12.066 -5.616 1.00 0.00 H new ATOM 1156 N ASP A 72 1.290 -8.513 -1.019 1.00 0.00 N ATOM 1157 CA ASP A 72 2.185 -8.228 0.112 1.00 0.00 C ATOM 1158 C ASP A 72 2.769 -6.823 -0.055 1.00 0.00 C ATOM 1159 O ASP A 72 2.633 -6.214 -1.117 1.00 0.00 O ATOM 1160 CB ASP A 72 3.318 -9.299 0.218 1.00 0.00 C ATOM 1161 CG ASP A 72 4.475 -9.103 -0.788 1.00 0.00 C ATOM 1162 OD1 ASP A 72 4.247 -9.221 -2.010 1.00 0.00 O ATOM 1163 OD2 ASP A 72 5.603 -8.788 -0.357 1.00 0.00 O ATOM 0 H ASP A 72 1.566 -8.048 -1.883 1.00 0.00 H new ATOM 0 HA ASP A 72 1.615 -8.272 1.040 1.00 0.00 H new ATOM 0 HB2 ASP A 72 3.725 -9.282 1.229 1.00 0.00 H new ATOM 0 HB3 ASP A 72 2.883 -10.287 0.066 1.00 0.00 H new ATOM 1168 N LEU A 73 3.472 -6.353 0.979 1.00 0.00 N ATOM 1169 CA LEU A 73 3.964 -4.969 1.076 1.00 0.00 C ATOM 1170 C LEU A 73 5.064 -4.652 0.029 1.00 0.00 C ATOM 1171 O LEU A 73 5.213 -3.493 -0.388 1.00 0.00 O ATOM 1172 CB LEU A 73 4.478 -4.745 2.510 1.00 0.00 C ATOM 1173 CG LEU A 73 4.895 -3.297 2.879 1.00 0.00 C ATOM 1174 CD1 LEU A 73 3.682 -2.339 2.874 1.00 0.00 C ATOM 1175 CD2 LEU A 73 5.648 -3.274 4.224 1.00 0.00 C ATOM 0 H LEU A 73 3.721 -6.927 1.784 1.00 0.00 H new ATOM 0 HA LEU A 73 3.144 -4.286 0.855 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.700 -5.063 3.204 1.00 0.00 H new ATOM 0 HB3 LEU A 73 5.336 -5.398 2.671 1.00 0.00 H new ATOM 0 HG LEU A 73 5.581 -2.935 2.113 1.00 0.00 H new ATOM 0 HD11 LEU A 73 4.011 -1.334 3.137 1.00 0.00 H new ATOM 0 HD12 LEU A 73 3.233 -2.326 1.881 1.00 0.00 H new ATOM 0 HD13 LEU A 73 2.945 -2.681 3.601 1.00 0.00 H new ATOM 0 HD21 LEU A 73 5.932 -2.249 4.465 1.00 0.00 H new ATOM 0 HD22 LEU A 73 5.002 -3.666 5.010 1.00 0.00 H new ATOM 0 HD23 LEU A 73 6.544 -3.891 4.150 1.00 0.00 H new ATOM 1187 N ASN A 74 5.830 -5.679 -0.393 1.00 0.00 N ATOM 1188 CA ASN A 74 6.825 -5.522 -1.478 1.00 0.00 C ATOM 1189 C ASN A 74 6.121 -5.288 -2.827 1.00 0.00 C ATOM 1190 O ASN A 74 6.582 -4.482 -3.641 1.00 0.00 O ATOM 1191 CB ASN A 74 7.771 -6.744 -1.586 1.00 0.00 C ATOM 1192 CG ASN A 74 8.756 -6.879 -0.415 1.00 0.00 C ATOM 1193 OD1 ASN A 74 8.419 -7.697 0.567 1.00 0.00 O flip ATOM 1194 ND2 ASN A 74 9.824 -6.256 -0.406 1.00 0.00 N flip ATOM 0 H ASN A 74 5.781 -6.620 -0.003 1.00 0.00 H new ATOM 0 HA ASN A 74 7.432 -4.652 -1.228 1.00 0.00 H new ATOM 0 HB2 ASN A 74 7.170 -7.651 -1.648 1.00 0.00 H new ATOM 0 HB3 ASN A 74 8.336 -6.672 -2.516 1.00 0.00 H new ATOM 0 HD21 ASN A 74 10.057 -5.632 -1.178 1.00 0.00 H new ATOM 0 HD22 ASN A 74 10.472 -6.366 0.374 1.00 0.00 H new ATOM 1201 N ALA A 75 5.002 -6.003 -3.047 1.00 0.00 N ATOM 1202 CA ALA A 75 4.191 -5.872 -4.271 1.00 0.00 C ATOM 1203 C ALA A 75 3.503 -4.497 -4.351 1.00 0.00 C ATOM 1204 O ALA A 75 3.288 -3.961 -5.447 1.00 0.00 O ATOM 1205 CB ALA A 75 3.166 -6.997 -4.346 1.00 0.00 C ATOM 0 H ALA A 75 4.636 -6.686 -2.383 1.00 0.00 H new ATOM 0 HA ALA A 75 4.860 -5.949 -5.128 1.00 0.00 H new ATOM 0 HB1 ALA A 75 2.573 -6.889 -5.254 1.00 0.00 H new ATOM 0 HB2 ALA A 75 3.681 -7.958 -4.360 1.00 0.00 H new ATOM 0 HB3 ALA A 75 2.510 -6.950 -3.477 1.00 0.00 H new ATOM 1211 N ILE A 76 3.161 -3.951 -3.177 1.00 0.00 N ATOM 1212 CA ILE A 76 2.589 -2.602 -3.034 1.00 0.00 C ATOM 1213 C ILE A 76 3.594 -1.531 -3.505 1.00 0.00 C ATOM 1214 O ILE A 76 3.269 -0.667 -4.325 1.00 0.00 O ATOM 1215 CB ILE A 76 2.206 -2.340 -1.529 1.00 0.00 C ATOM 1216 CG1 ILE A 76 1.171 -3.386 -1.014 1.00 0.00 C ATOM 1217 CG2 ILE A 76 1.685 -0.905 -1.305 1.00 0.00 C ATOM 1218 CD1 ILE A 76 -0.213 -3.266 -1.596 1.00 0.00 C ATOM 0 H ILE A 76 3.274 -4.438 -2.288 1.00 0.00 H new ATOM 0 HA ILE A 76 1.695 -2.540 -3.654 1.00 0.00 H new ATOM 0 HB ILE A 76 3.122 -2.452 -0.949 1.00 0.00 H new ATOM 0 HG12 ILE A 76 1.552 -4.385 -1.229 1.00 0.00 H new ATOM 0 HG13 ILE A 76 1.100 -3.298 0.070 1.00 0.00 H new ATOM 0 HG21 ILE A 76 1.433 -0.769 -0.253 1.00 0.00 H new ATOM 0 HG22 ILE A 76 2.457 -0.189 -1.588 1.00 0.00 H new ATOM 0 HG23 ILE A 76 0.797 -0.741 -1.915 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -0.854 -4.039 -1.172 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -0.623 -2.284 -1.359 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -0.164 -3.388 -2.678 1.00 0.00 H new ATOM 1230 N SER A 77 4.826 -1.635 -2.985 1.00 0.00 N ATOM 1231 CA SER A 77 5.871 -0.621 -3.175 1.00 0.00 C ATOM 1232 C SER A 77 6.431 -0.653 -4.601 1.00 0.00 C ATOM 1233 O SER A 77 6.685 0.408 -5.189 1.00 0.00 O ATOM 1234 CB SER A 77 6.999 -0.819 -2.144 1.00 0.00 C ATOM 1235 OG SER A 77 7.495 -2.147 -2.163 1.00 0.00 O ATOM 0 H SER A 77 5.126 -2.429 -2.419 1.00 0.00 H new ATOM 0 HA SER A 77 5.421 0.360 -3.021 1.00 0.00 H new ATOM 0 HB2 SER A 77 7.811 -0.123 -2.354 1.00 0.00 H new ATOM 0 HB3 SER A 77 6.627 -0.583 -1.147 1.00 0.00 H new ATOM 0 HG SER A 77 6.993 -2.674 -2.819 1.00 0.00 H new ATOM 1241 N ARG A 78 6.606 -1.879 -5.152 1.00 0.00 N ATOM 1242 CA ARG A 78 7.157 -2.069 -6.504 1.00 0.00 C ATOM 1243 C ARG A 78 6.245 -1.419 -7.559 1.00 0.00 C ATOM 1244 O ARG A 78 6.725 -0.812 -8.534 1.00 0.00 O ATOM 1245 CB ARG A 78 7.361 -3.582 -6.835 1.00 0.00 C ATOM 1246 CG ARG A 78 6.062 -4.384 -7.071 1.00 0.00 C ATOM 1247 CD ARG A 78 6.297 -5.851 -7.455 1.00 0.00 C ATOM 1248 NE ARG A 78 5.012 -6.580 -7.589 1.00 0.00 N ATOM 1249 CZ ARG A 78 4.871 -7.863 -7.976 1.00 0.00 C ATOM 1250 NH1 ARG A 78 5.921 -8.609 -8.283 1.00 0.00 N ATOM 1251 NH2 ARG A 78 3.665 -8.401 -8.039 1.00 0.00 N ATOM 0 H ARG A 78 6.371 -2.749 -4.674 1.00 0.00 H new ATOM 0 HA ARG A 78 8.132 -1.583 -6.528 1.00 0.00 H new ATOM 0 HB2 ARG A 78 7.985 -3.662 -7.725 1.00 0.00 H new ATOM 0 HB3 ARG A 78 7.912 -4.046 -6.017 1.00 0.00 H new ATOM 0 HG2 ARG A 78 5.455 -4.348 -6.166 1.00 0.00 H new ATOM 0 HG3 ARG A 78 5.486 -3.900 -7.860 1.00 0.00 H new ATOM 0 HD2 ARG A 78 6.847 -5.901 -8.395 1.00 0.00 H new ATOM 0 HD3 ARG A 78 6.915 -6.334 -6.698 1.00 0.00 H new ATOM 0 HE ARG A 78 4.160 -6.065 -7.369 1.00 0.00 H new ATOM 0 HH11 ARG A 78 6.860 -8.215 -8.229 1.00 0.00 H new ATOM 0 HH12 ARG A 78 5.791 -9.578 -8.574 1.00 0.00 H new ATOM 0 HH21 ARG A 78 2.845 -7.845 -7.795 1.00 0.00 H new ATOM 0 HH22 ARG A 78 3.554 -9.372 -8.332 1.00 0.00 H new ATOM 1265 N THR A 79 4.921 -1.513 -7.330 1.00 0.00 N ATOM 1266 CA THR A 79 3.930 -1.062 -8.284 1.00 0.00 C ATOM 1267 C THR A 79 3.685 0.435 -8.102 1.00 0.00 C ATOM 1268 O THR A 79 3.240 1.082 -9.029 1.00 0.00 O ATOM 1269 CB THR A 79 2.598 -1.878 -8.173 1.00 0.00 C ATOM 1270 OG1 THR A 79 1.906 -1.836 -9.424 1.00 0.00 O ATOM 1271 CG2 THR A 79 1.649 -1.354 -7.084 1.00 0.00 C ATOM 0 H THR A 79 4.525 -1.905 -6.476 1.00 0.00 H new ATOM 0 HA THR A 79 4.316 -1.236 -9.288 1.00 0.00 H new ATOM 0 HB THR A 79 2.884 -2.895 -7.903 1.00 0.00 H new ATOM 0 HG1 THR A 79 1.537 -2.722 -9.624 1.00 0.00 H new ATOM 0 HG21 THR A 79 0.747 -1.965 -7.063 1.00 0.00 H new ATOM 0 HG22 THR A 79 2.145 -1.404 -6.114 1.00 0.00 H new ATOM 0 HG23 THR A 79 1.381 -0.320 -7.301 1.00 0.00 H new ATOM 1279 N VAL A 80 3.988 0.961 -6.893 1.00 0.00 N ATOM 1280 CA VAL A 80 3.983 2.403 -6.623 1.00 0.00 C ATOM 1281 C VAL A 80 5.000 3.093 -7.508 1.00 0.00 C ATOM 1282 O VAL A 80 4.673 4.094 -8.120 1.00 0.00 O ATOM 1283 CB VAL A 80 4.256 2.712 -5.090 1.00 0.00 C ATOM 1284 CG1 VAL A 80 4.987 4.071 -4.851 1.00 0.00 C ATOM 1285 CG2 VAL A 80 2.919 2.671 -4.325 1.00 0.00 C ATOM 0 H VAL A 80 4.241 0.393 -6.084 1.00 0.00 H new ATOM 0 HA VAL A 80 2.991 2.792 -6.854 1.00 0.00 H new ATOM 0 HB VAL A 80 4.933 1.944 -4.716 1.00 0.00 H new ATOM 0 HG11 VAL A 80 5.141 4.218 -3.782 1.00 0.00 H new ATOM 0 HG12 VAL A 80 5.951 4.060 -5.359 1.00 0.00 H new ATOM 0 HG13 VAL A 80 4.379 4.885 -5.245 1.00 0.00 H new ATOM 0 HG21 VAL A 80 3.097 2.882 -3.270 1.00 0.00 H new ATOM 0 HG22 VAL A 80 2.242 3.420 -4.736 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.472 1.682 -4.427 1.00 0.00 H new ATOM 1295 N GLU A 81 6.219 2.528 -7.565 1.00 0.00 N ATOM 1296 CA GLU A 81 7.320 3.055 -8.393 1.00 0.00 C ATOM 1297 C GLU A 81 6.950 3.085 -9.885 1.00 0.00 C ATOM 1298 O GLU A 81 7.322 4.015 -10.619 1.00 0.00 O ATOM 1299 CB GLU A 81 8.596 2.202 -8.175 1.00 0.00 C ATOM 1300 CG GLU A 81 9.104 2.182 -6.720 1.00 0.00 C ATOM 1301 CD GLU A 81 9.355 3.586 -6.152 1.00 0.00 C ATOM 1302 OE1 GLU A 81 10.200 4.320 -6.717 1.00 0.00 O ATOM 1303 OE2 GLU A 81 8.705 3.983 -5.154 1.00 0.00 O ATOM 0 H GLU A 81 6.470 1.692 -7.038 1.00 0.00 H new ATOM 0 HA GLU A 81 7.510 4.082 -8.082 1.00 0.00 H new ATOM 0 HB2 GLU A 81 8.393 1.179 -8.491 1.00 0.00 H new ATOM 0 HB3 GLU A 81 9.388 2.583 -8.819 1.00 0.00 H new ATOM 0 HG2 GLU A 81 8.375 1.668 -6.094 1.00 0.00 H new ATOM 0 HG3 GLU A 81 10.028 1.606 -6.672 1.00 0.00 H new ATOM 1310 N GLN A 82 6.213 2.049 -10.310 1.00 0.00 N ATOM 1311 CA GLN A 82 5.782 1.885 -11.708 1.00 0.00 C ATOM 1312 C GLN A 82 4.653 2.895 -12.035 1.00 0.00 C ATOM 1313 O GLN A 82 4.708 3.586 -13.058 1.00 0.00 O ATOM 1314 CB GLN A 82 5.360 0.402 -11.939 1.00 0.00 C ATOM 1315 CG GLN A 82 5.210 -0.054 -13.415 1.00 0.00 C ATOM 1316 CD GLN A 82 3.914 0.396 -14.088 1.00 0.00 C ATOM 1317 OE1 GLN A 82 2.886 0.544 -13.437 1.00 0.00 O ATOM 1318 NE2 GLN A 82 3.947 0.586 -15.396 1.00 0.00 N ATOM 0 H GLN A 82 5.898 1.299 -9.694 1.00 0.00 H new ATOM 0 HA GLN A 82 6.601 2.103 -12.393 1.00 0.00 H new ATOM 0 HB2 GLN A 82 6.096 -0.241 -11.456 1.00 0.00 H new ATOM 0 HB3 GLN A 82 4.410 0.235 -11.432 1.00 0.00 H new ATOM 0 HG2 GLN A 82 6.054 0.329 -13.988 1.00 0.00 H new ATOM 0 HG3 GLN A 82 5.266 -1.142 -13.454 1.00 0.00 H new ATOM 0 HE21 GLN A 82 4.819 0.454 -15.909 1.00 0.00 H new ATOM 0 HE22 GLN A 82 3.100 0.864 -15.892 1.00 0.00 H new ATOM 1327 N LEU A 83 3.662 2.987 -11.128 1.00 0.00 N ATOM 1328 CA LEU A 83 2.535 3.938 -11.229 1.00 0.00 C ATOM 1329 C LEU A 83 3.030 5.385 -11.162 1.00 0.00 C ATOM 1330 O LEU A 83 2.445 6.266 -11.772 1.00 0.00 O ATOM 1331 CB LEU A 83 1.525 3.714 -10.064 1.00 0.00 C ATOM 1332 CG LEU A 83 0.655 2.433 -10.100 1.00 0.00 C ATOM 1333 CD1 LEU A 83 -0.216 2.337 -8.827 1.00 0.00 C ATOM 1334 CD2 LEU A 83 -0.202 2.381 -11.378 1.00 0.00 C ATOM 0 H LEU A 83 3.619 2.398 -10.296 1.00 0.00 H new ATOM 0 HA LEU A 83 2.047 3.762 -12.188 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.086 3.712 -9.130 1.00 0.00 H new ATOM 0 HB3 LEU A 83 0.855 4.573 -10.031 1.00 0.00 H new ATOM 0 HG LEU A 83 1.317 1.567 -10.120 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.821 1.431 -8.868 1.00 0.00 H new ATOM 0 HD12 LEU A 83 0.427 2.304 -7.948 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.869 3.208 -8.766 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -0.802 1.471 -11.377 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -0.859 3.250 -11.411 1.00 0.00 H new ATOM 0 HD23 LEU A 83 0.448 2.385 -12.253 1.00 0.00 H new ATOM 1346 N LYS A 84 4.097 5.598 -10.375 1.00 0.00 N ATOM 1347 CA LYS A 84 4.680 6.922 -10.115 1.00 0.00 C ATOM 1348 C LYS A 84 5.321 7.455 -11.405 1.00 0.00 C ATOM 1349 O LYS A 84 5.283 8.660 -11.688 1.00 0.00 O ATOM 1350 CB LYS A 84 5.708 6.789 -8.956 1.00 0.00 C ATOM 1351 CG LYS A 84 6.153 8.100 -8.282 1.00 0.00 C ATOM 1352 CD LYS A 84 6.883 7.858 -6.929 1.00 0.00 C ATOM 1353 CE LYS A 84 8.144 6.990 -7.069 1.00 0.00 C ATOM 1354 NZ LYS A 84 8.794 6.729 -5.760 1.00 0.00 N ATOM 0 H LYS A 84 4.586 4.843 -9.895 1.00 0.00 H new ATOM 0 HA LYS A 84 3.916 7.638 -9.811 1.00 0.00 H new ATOM 0 HB2 LYS A 84 5.279 6.140 -8.192 1.00 0.00 H new ATOM 0 HB3 LYS A 84 6.594 6.285 -9.342 1.00 0.00 H new ATOM 0 HG2 LYS A 84 6.815 8.644 -8.956 1.00 0.00 H new ATOM 0 HG3 LYS A 84 5.281 8.732 -8.113 1.00 0.00 H new ATOM 0 HD2 LYS A 84 7.158 8.819 -6.495 1.00 0.00 H new ATOM 0 HD3 LYS A 84 6.195 7.378 -6.233 1.00 0.00 H new ATOM 0 HE2 LYS A 84 7.880 6.042 -7.537 1.00 0.00 H new ATOM 0 HE3 LYS A 84 8.853 7.486 -7.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 9.827 6.783 -5.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 8.480 7.440 -5.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 8.531 5.780 -5.425 1.00 0.00 H new ATOM 1368 N ALA A 85 5.878 6.515 -12.190 1.00 0.00 N ATOM 1369 CA ALA A 85 6.415 6.786 -13.523 1.00 0.00 C ATOM 1370 C ALA A 85 5.282 7.112 -14.508 1.00 0.00 C ATOM 1371 O ALA A 85 5.340 8.133 -15.202 1.00 0.00 O ATOM 1372 CB ALA A 85 7.253 5.593 -14.010 1.00 0.00 C ATOM 0 H ALA A 85 5.966 5.539 -11.908 1.00 0.00 H new ATOM 0 HA ALA A 85 7.066 7.658 -13.469 1.00 0.00 H new ATOM 0 HB1 ALA A 85 7.647 5.807 -15.003 1.00 0.00 H new ATOM 0 HB2 ALA A 85 8.080 5.423 -13.320 1.00 0.00 H new ATOM 0 HB3 ALA A 85 6.627 4.702 -14.052 1.00 0.00 H new ATOM 1378 N GLU A 86 4.237 6.254 -14.535 1.00 0.00 N ATOM 1379 CA GLU A 86 3.070 6.431 -15.430 1.00 0.00 C ATOM 1380 C GLU A 86 2.339 7.752 -15.151 1.00 0.00 C ATOM 1381 O GLU A 86 1.875 8.412 -16.077 1.00 0.00 O ATOM 1382 CB GLU A 86 2.062 5.269 -15.286 1.00 0.00 C ATOM 1383 CG GLU A 86 2.632 3.881 -15.602 1.00 0.00 C ATOM 1384 CD GLU A 86 1.557 2.788 -15.593 1.00 0.00 C ATOM 1385 OE1 GLU A 86 0.951 2.558 -14.536 1.00 0.00 O ATOM 1386 OE2 GLU A 86 1.332 2.138 -16.639 1.00 0.00 O ATOM 0 H GLU A 86 4.178 5.426 -13.942 1.00 0.00 H new ATOM 0 HA GLU A 86 3.464 6.444 -16.446 1.00 0.00 H new ATOM 0 HB2 GLU A 86 1.677 5.265 -14.266 1.00 0.00 H new ATOM 0 HB3 GLU A 86 1.215 5.457 -15.946 1.00 0.00 H new ATOM 0 HG2 GLU A 86 3.114 3.904 -16.579 1.00 0.00 H new ATOM 0 HG3 GLU A 86 3.403 3.634 -14.872 1.00 0.00 H new ATOM 1393 N SER A 87 2.257 8.119 -13.864 1.00 0.00 N ATOM 1394 CA SER A 87 1.557 9.326 -13.411 1.00 0.00 C ATOM 1395 C SER A 87 2.308 10.590 -13.881 1.00 0.00 C ATOM 1396 O SER A 87 1.684 11.611 -14.195 1.00 0.00 O ATOM 1397 CB SER A 87 1.413 9.307 -11.875 1.00 0.00 C ATOM 1398 OG SER A 87 0.559 10.341 -11.428 1.00 0.00 O ATOM 0 H SER A 87 2.677 7.583 -13.105 1.00 0.00 H new ATOM 0 HA SER A 87 0.559 9.345 -13.849 1.00 0.00 H new ATOM 0 HB2 SER A 87 1.018 8.342 -11.556 1.00 0.00 H new ATOM 0 HB3 SER A 87 2.394 9.418 -11.414 1.00 0.00 H new ATOM 0 HG SER A 87 0.485 10.305 -10.452 1.00 0.00 H new ATOM 1404 N ALA A 88 3.653 10.489 -13.946 1.00 0.00 N ATOM 1405 CA ALA A 88 4.518 11.556 -14.479 1.00 0.00 C ATOM 1406 C ALA A 88 4.372 11.674 -16.011 1.00 0.00 C ATOM 1407 O ALA A 88 4.593 12.742 -16.579 1.00 0.00 O ATOM 1408 CB ALA A 88 5.978 11.286 -14.089 1.00 0.00 C ATOM 0 H ALA A 88 4.166 9.666 -13.630 1.00 0.00 H new ATOM 0 HA ALA A 88 4.207 12.506 -14.044 1.00 0.00 H new ATOM 0 HB1 ALA A 88 6.613 12.078 -14.486 1.00 0.00 H new ATOM 0 HB2 ALA A 88 6.066 11.260 -13.003 1.00 0.00 H new ATOM 0 HB3 ALA A 88 6.293 10.327 -14.501 1.00 0.00 H new ATOM 1414 N LEU A 89 4.013 10.552 -16.664 1.00 0.00 N ATOM 1415 CA LEU A 89 3.774 10.495 -18.124 1.00 0.00 C ATOM 1416 C LEU A 89 2.311 10.838 -18.470 1.00 0.00 C ATOM 1417 O LEU A 89 1.988 11.076 -19.635 1.00 0.00 O ATOM 1418 CB LEU A 89 4.136 9.086 -18.665 1.00 0.00 C ATOM 1419 CG LEU A 89 5.602 8.618 -18.413 1.00 0.00 C ATOM 1420 CD1 LEU A 89 5.852 7.210 -18.988 1.00 0.00 C ATOM 1421 CD2 LEU A 89 6.629 9.640 -18.951 1.00 0.00 C ATOM 0 H LEU A 89 3.880 9.656 -16.195 1.00 0.00 H new ATOM 0 HA LEU A 89 4.412 11.240 -18.600 1.00 0.00 H new ATOM 0 HB2 LEU A 89 3.460 8.360 -18.214 1.00 0.00 H new ATOM 0 HB3 LEU A 89 3.949 9.071 -19.739 1.00 0.00 H new ATOM 0 HG LEU A 89 5.741 8.559 -17.333 1.00 0.00 H new ATOM 0 HD11 LEU A 89 6.884 6.916 -18.794 1.00 0.00 H new ATOM 0 HD12 LEU A 89 5.176 6.498 -18.514 1.00 0.00 H new ATOM 0 HD13 LEU A 89 5.673 7.219 -20.063 1.00 0.00 H new ATOM 0 HD21 LEU A 89 7.639 9.278 -18.756 1.00 0.00 H new ATOM 0 HD22 LEU A 89 6.489 9.766 -20.025 1.00 0.00 H new ATOM 0 HD23 LEU A 89 6.485 10.598 -18.452 1.00 0.00 H new ATOM 1433 N GLU A 90 1.435 10.845 -17.454 1.00 0.00 N ATOM 1434 CA GLU A 90 0.008 11.147 -17.622 1.00 0.00 C ATOM 1435 C GLU A 90 -0.148 12.668 -17.869 1.00 0.00 C ATOM 1436 CB GLU A 90 -0.776 10.646 -16.364 1.00 0.00 C ATOM 1437 CG GLU A 90 -2.316 10.521 -16.513 1.00 0.00 C ATOM 1438 CD GLU A 90 -3.062 11.868 -16.588 1.00 0.00 C ATOM 1439 OE1 GLU A 90 -3.124 12.577 -15.562 1.00 0.00 O ATOM 1440 OE2 GLU A 90 -3.578 12.232 -17.667 1.00 0.00 O ATOM 0 H GLU A 90 1.699 10.641 -16.490 1.00 0.00 H new ATOM 0 HA GLU A 90 -0.412 10.629 -18.484 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -0.380 9.671 -16.081 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -0.567 11.326 -15.538 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -2.536 9.948 -17.414 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -2.705 9.951 -15.669 1.00 0.00 H new