USER MOD reduce.3.24.130724 H: found=0, std=0, add=817, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 817 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 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot -59:sc= 0.231 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 HIS : no HD1:sc= -0.428 K(o=-0.43,f=-1.2) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -138:sc= 0 (180deg=-0.651) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -0.318 K(o=-0.32,f=-1.5) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=-0.094) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl -176:sc= 0 (180deg=-0.0295) USER MOD Single : A 96 LYS NZ :NH3+ 167:sc= 0.224 (180deg=0.167) USER MOD Single : B 1 VAL N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 SER OG : rot 180:sc= 0 USER MOD Single : B 7 SER OG : rot 180:sc= 0 USER MOD Single : B 8 SER OG : rot 82:sc= 0.107 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.419 -32.668 -4.749 1.00 0.00 N ATOM 2 CA GLY A 1 -8.088 -31.382 -4.384 1.00 0.00 C ATOM 3 C GLY A 1 -7.208 -30.474 -3.529 1.00 0.00 C ATOM 4 O GLY A 1 -7.228 -30.595 -2.275 1.00 0.00 O ATOM 0 H1 GLY A 1 -8.064 -33.242 -5.329 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.553 -32.468 -5.289 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.174 -33.190 -3.883 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.369 -30.854 -5.295 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.010 -31.599 -3.844 1.00 0.00 H new ATOM 10 N ALA A 2 -6.419 -29.531 -4.253 1.00 0.00 N ATOM 11 CA ALA A 2 -5.454 -28.495 -3.656 1.00 0.00 C ATOM 12 C ALA A 2 -5.982 -27.008 -3.811 1.00 0.00 C ATOM 13 O ALA A 2 -6.448 -26.592 -4.935 1.00 0.00 O ATOM 14 CB ALA A 2 -4.010 -28.661 -4.257 1.00 0.00 C ATOM 0 H ALA A 2 -6.449 -29.484 -5.271 1.00 0.00 H new ATOM 0 HA ALA A 2 -5.401 -28.690 -2.585 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -3.346 -27.916 -3.819 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -3.635 -29.659 -4.032 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -4.047 -28.523 -5.338 1.00 0.00 H new ATOM 20 N MET A 3 -5.934 -26.224 -2.618 1.00 0.00 N ATOM 21 CA MET A 3 -6.371 -24.753 -2.487 1.00 0.00 C ATOM 22 C MET A 3 -5.207 -23.727 -2.240 1.00 0.00 C ATOM 23 O MET A 3 -4.222 -24.007 -1.489 1.00 0.00 O ATOM 24 CB MET A 3 -7.597 -24.525 -1.475 1.00 0.00 C ATOM 25 CG MET A 3 -9.025 -24.785 -2.030 1.00 0.00 C ATOM 26 SD MET A 3 -9.559 -23.659 -3.370 1.00 0.00 S ATOM 27 CE MET A 3 -11.208 -24.280 -3.697 1.00 0.00 C ATOM 0 H MET A 3 -5.591 -26.607 -1.737 1.00 0.00 H new ATOM 0 HA MET A 3 -6.743 -24.525 -3.486 1.00 0.00 H new ATOM 0 HB2 MET A 3 -7.447 -25.170 -0.609 1.00 0.00 H new ATOM 0 HB3 MET A 3 -7.554 -23.496 -1.117 1.00 0.00 H new ATOM 0 HG2 MET A 3 -9.073 -25.810 -2.398 1.00 0.00 H new ATOM 0 HG3 MET A 3 -9.736 -24.708 -1.208 1.00 0.00 H new ATOM 0 HE1 MET A 3 -11.666 -23.694 -4.494 1.00 0.00 H new ATOM 0 HE2 MET A 3 -11.149 -25.325 -4.003 1.00 0.00 H new ATOM 0 HE3 MET A 3 -11.813 -24.200 -2.794 1.00 0.00 H new ATOM 37 N GLU A 4 -5.365 -22.528 -2.966 1.00 0.00 N ATOM 38 CA GLU A 4 -4.426 -21.290 -2.980 1.00 0.00 C ATOM 39 C GLU A 4 -5.203 -19.958 -2.514 1.00 0.00 C ATOM 40 O GLU A 4 -6.474 -19.933 -2.490 1.00 0.00 O ATOM 41 CB GLU A 4 -3.709 -21.061 -4.422 1.00 0.00 C ATOM 42 CG GLU A 4 -2.695 -22.167 -4.917 1.00 0.00 C ATOM 43 CD GLU A 4 -2.054 -21.880 -6.296 1.00 0.00 C ATOM 44 OE1 GLU A 4 -2.629 -22.312 -7.333 1.00 0.00 O ATOM 45 OE2 GLU A 4 -0.961 -21.252 -6.336 1.00 0.00 O ATOM 0 H GLU A 4 -6.171 -22.391 -3.575 1.00 0.00 H new ATOM 0 HA GLU A 4 -3.635 -21.499 -2.260 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -4.491 -20.961 -5.174 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -3.178 -20.110 -4.386 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -1.902 -22.272 -4.177 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -3.215 -23.124 -4.965 1.00 0.00 H new ATOM 52 N MET A 5 -4.383 -18.835 -2.165 1.00 0.00 N ATOM 53 CA MET A 5 -4.855 -17.421 -1.739 1.00 0.00 C ATOM 54 C MET A 5 -5.326 -16.470 -2.989 1.00 0.00 C ATOM 55 O MET A 5 -4.993 -16.786 -4.175 1.00 0.00 O ATOM 56 CB MET A 5 -3.834 -16.724 -0.651 1.00 0.00 C ATOM 57 CG MET A 5 -2.339 -16.451 -1.041 1.00 0.00 C ATOM 58 SD MET A 5 -1.366 -15.832 0.348 1.00 0.00 S ATOM 59 CE MET A 5 0.250 -15.682 -0.403 1.00 0.00 C ATOM 0 H MET A 5 -3.365 -18.904 -2.177 1.00 0.00 H new ATOM 0 HA MET A 5 -5.786 -17.554 -1.189 1.00 0.00 H new ATOM 0 HB2 MET A 5 -4.273 -15.769 -0.360 1.00 0.00 H new ATOM 0 HB3 MET A 5 -3.827 -17.355 0.238 1.00 0.00 H new ATOM 0 HG2 MET A 5 -1.890 -17.372 -1.414 1.00 0.00 H new ATOM 0 HG3 MET A 5 -2.305 -15.727 -1.855 1.00 0.00 H new ATOM 0 HE1 MET A 5 0.961 -15.309 0.335 1.00 0.00 H new ATOM 0 HE2 MET A 5 0.577 -16.658 -0.761 1.00 0.00 H new ATOM 0 HE3 MET A 5 0.199 -14.987 -1.241 1.00 0.00 H new ATOM 69 N GLU A 6 -6.068 -15.300 -2.658 1.00 0.00 N ATOM 70 CA GLU A 6 -6.793 -14.379 -3.669 1.00 0.00 C ATOM 71 C GLU A 6 -6.284 -12.888 -3.672 1.00 0.00 C ATOM 72 O GLU A 6 -6.359 -12.181 -2.639 1.00 0.00 O ATOM 73 CB GLU A 6 -8.437 -14.549 -3.711 1.00 0.00 C ATOM 74 CG GLU A 6 -9.291 -14.354 -2.369 1.00 0.00 C ATOM 75 CD GLU A 6 -10.816 -14.519 -2.555 1.00 0.00 C ATOM 76 OE1 GLU A 6 -11.323 -15.663 -2.403 1.00 0.00 O ATOM 77 OE2 GLU A 6 -11.505 -13.500 -2.827 1.00 0.00 O ATOM 0 H GLU A 6 -6.173 -14.982 -1.694 1.00 0.00 H new ATOM 0 HA GLU A 6 -6.478 -14.764 -4.639 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -8.819 -13.840 -4.446 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -8.651 -15.548 -4.091 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -8.948 -15.074 -1.626 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -9.091 -13.361 -1.967 1.00 0.00 H new ATOM 84 N TYR A 7 -5.765 -12.454 -4.903 1.00 0.00 N ATOM 85 CA TYR A 7 -5.141 -11.072 -5.203 1.00 0.00 C ATOM 86 C TYR A 7 -6.113 -10.119 -5.999 1.00 0.00 C ATOM 87 O TYR A 7 -6.904 -10.598 -6.893 1.00 0.00 O ATOM 88 CB TYR A 7 -3.742 -11.231 -5.996 1.00 0.00 C ATOM 89 CG TYR A 7 -2.553 -12.034 -5.325 1.00 0.00 C ATOM 90 CD1 TYR A 7 -2.461 -13.443 -5.397 1.00 0.00 C ATOM 91 CD2 TYR A 7 -1.535 -11.361 -4.672 1.00 0.00 C ATOM 92 CE1 TYR A 7 -1.403 -14.124 -4.845 1.00 0.00 C ATOM 93 CE2 TYR A 7 -0.456 -12.048 -4.108 1.00 0.00 C ATOM 94 CZ TYR A 7 -0.396 -13.425 -4.204 1.00 0.00 C ATOM 95 OH TYR A 7 0.666 -14.105 -3.654 1.00 0.00 O ATOM 0 H TYR A 7 -5.768 -13.059 -5.724 1.00 0.00 H new ATOM 0 HA TYR A 7 -4.955 -10.604 -4.236 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -3.960 -11.708 -6.951 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -3.376 -10.228 -6.217 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -3.241 -13.997 -5.898 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -1.575 -10.284 -4.597 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -1.358 -15.201 -4.911 1.00 0.00 H new ATOM 0 HE2 TYR A 7 0.327 -11.505 -3.600 1.00 0.00 H new ATOM 0 HH TYR A 7 1.285 -13.467 -3.242 1.00 0.00 H new ATOM 105 N GLU A 8 -6.038 -8.733 -5.641 1.00 0.00 N ATOM 106 CA GLU A 8 -6.922 -7.627 -6.237 1.00 0.00 C ATOM 107 C GLU A 8 -6.028 -6.415 -6.795 1.00 0.00 C ATOM 108 O GLU A 8 -5.108 -5.901 -6.085 1.00 0.00 O ATOM 109 CB GLU A 8 -8.061 -7.158 -5.159 1.00 0.00 C ATOM 110 CG GLU A 8 -9.398 -6.522 -5.734 1.00 0.00 C ATOM 111 CD GLU A 8 -10.439 -6.136 -4.658 1.00 0.00 C ATOM 112 OE1 GLU A 8 -11.299 -6.991 -4.315 1.00 0.00 O ATOM 113 OE2 GLU A 8 -10.413 -4.969 -4.182 1.00 0.00 O ATOM 0 H GLU A 8 -5.375 -8.383 -4.949 1.00 0.00 H new ATOM 0 HA GLU A 8 -7.460 -8.023 -7.099 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -8.333 -8.026 -4.558 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -7.607 -6.433 -4.484 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -9.144 -5.633 -6.311 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -9.854 -7.230 -6.425 1.00 0.00 H new ATOM 120 N GLU A 9 -6.335 -6.023 -8.125 1.00 0.00 N ATOM 121 CA GLU A 9 -5.724 -4.838 -8.886 1.00 0.00 C ATOM 122 C GLU A 9 -6.724 -3.603 -8.990 1.00 0.00 C ATOM 123 O GLU A 9 -7.810 -3.702 -9.667 1.00 0.00 O ATOM 124 CB GLU A 9 -5.003 -5.257 -10.303 1.00 0.00 C ATOM 125 CG GLU A 9 -5.842 -6.020 -11.447 1.00 0.00 C ATOM 126 CD GLU A 9 -5.030 -6.357 -12.717 1.00 0.00 C ATOM 127 OE1 GLU A 9 -5.007 -5.520 -13.659 1.00 0.00 O ATOM 128 OE2 GLU A 9 -4.443 -7.470 -12.780 1.00 0.00 O ATOM 0 H GLU A 9 -7.017 -6.532 -8.687 1.00 0.00 H new ATOM 0 HA GLU A 9 -4.893 -4.483 -8.276 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -4.609 -4.343 -10.747 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -4.148 -5.886 -10.056 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -6.243 -6.944 -11.031 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -6.694 -5.402 -11.729 1.00 0.00 H new ATOM 135 N ILE A 10 -6.341 -2.466 -8.248 1.00 0.00 N ATOM 136 CA ILE A 10 -7.159 -1.158 -8.145 1.00 0.00 C ATOM 137 C ILE A 10 -6.310 0.059 -8.833 1.00 0.00 C ATOM 138 O ILE A 10 -5.070 0.150 -8.658 1.00 0.00 O ATOM 139 CB ILE A 10 -7.643 -0.808 -6.543 1.00 0.00 C ATOM 140 CG1 ILE A 10 -8.354 -2.068 -5.811 1.00 0.00 C ATOM 141 CG2 ILE A 10 -8.698 0.419 -6.488 1.00 0.00 C ATOM 142 CD1 ILE A 10 -8.053 -2.228 -4.279 1.00 0.00 C ATOM 0 H ILE A 10 -5.472 -2.432 -7.715 1.00 0.00 H new ATOM 0 HA ILE A 10 -8.092 -1.283 -8.694 1.00 0.00 H new ATOM 0 HB ILE A 10 -6.719 -0.551 -6.026 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -9.432 -1.979 -5.943 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -8.045 -2.981 -6.320 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -8.981 0.610 -5.453 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -8.239 1.313 -6.909 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -9.586 0.161 -7.065 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -8.579 -3.101 -3.894 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -6.981 -2.356 -4.130 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -8.390 -1.338 -3.747 1.00 0.00 H new ATOM 154 N THR A 11 -7.082 0.964 -9.603 1.00 0.00 N ATOM 155 CA THR A 11 -6.569 2.239 -10.303 1.00 0.00 C ATOM 156 C THR A 11 -7.345 3.511 -9.693 1.00 0.00 C ATOM 157 O THR A 11 -8.620 3.567 -9.683 1.00 0.00 O ATOM 158 CB THR A 11 -6.687 2.162 -11.963 1.00 0.00 C ATOM 159 OG1 THR A 11 -6.363 0.833 -12.432 1.00 0.00 O ATOM 160 CG2 THR A 11 -5.677 3.122 -12.697 1.00 0.00 C ATOM 0 H THR A 11 -8.081 0.820 -9.750 1.00 0.00 H new ATOM 0 HA THR A 11 -5.502 2.339 -10.106 1.00 0.00 H new ATOM 0 HB THR A 11 -7.714 2.451 -12.189 1.00 0.00 H new ATOM 0 HG1 THR A 11 -6.439 0.803 -13.409 1.00 0.00 H new ATOM 0 HG21 THR A 11 -5.802 3.026 -13.776 1.00 0.00 H new ATOM 0 HG22 THR A 11 -5.872 4.152 -12.399 1.00 0.00 H new ATOM 0 HG23 THR A 11 -4.656 2.853 -12.425 1.00 0.00 H new ATOM 168 N LEU A 12 -6.484 4.498 -9.187 1.00 0.00 N ATOM 169 CA LEU A 12 -6.868 5.825 -8.553 1.00 0.00 C ATOM 170 C LEU A 12 -6.291 7.055 -9.328 1.00 0.00 C ATOM 171 O LEU A 12 -5.154 6.995 -9.895 1.00 0.00 O ATOM 172 CB LEU A 12 -6.401 5.933 -6.951 1.00 0.00 C ATOM 173 CG LEU A 12 -7.142 5.191 -5.714 1.00 0.00 C ATOM 174 CD1 LEU A 12 -8.643 5.521 -5.515 1.00 0.00 C ATOM 175 CD2 LEU A 12 -6.856 3.686 -5.607 1.00 0.00 C ATOM 0 H LEU A 12 -5.472 4.375 -9.216 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.956 5.852 -8.608 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -5.363 5.603 -6.919 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -6.406 6.996 -6.709 1.00 0.00 H new ATOM 0 HG LEU A 12 -6.650 5.659 -4.861 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -9.027 4.966 -4.659 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -8.760 6.590 -5.336 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -9.199 5.240 -6.409 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -7.392 3.274 -4.752 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -7.187 3.187 -6.518 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -5.786 3.528 -5.475 1.00 0.00 H new ATOM 187 N GLU A 13 -7.151 8.176 -9.374 1.00 0.00 N ATOM 188 CA GLU A 13 -6.764 9.572 -9.830 1.00 0.00 C ATOM 189 C GLU A 13 -6.537 10.526 -8.567 1.00 0.00 C ATOM 190 O GLU A 13 -7.426 10.592 -7.653 1.00 0.00 O ATOM 191 CB GLU A 13 -7.731 10.186 -11.007 1.00 0.00 C ATOM 192 CG GLU A 13 -9.274 10.361 -10.769 1.00 0.00 C ATOM 193 CD GLU A 13 -10.091 10.725 -12.033 1.00 0.00 C ATOM 194 OE1 GLU A 13 -10.263 11.942 -12.313 1.00 0.00 O ATOM 195 OE2 GLU A 13 -10.585 9.791 -12.724 1.00 0.00 O ATOM 0 H GLU A 13 -8.129 8.116 -9.091 1.00 0.00 H new ATOM 0 HA GLU A 13 -5.804 9.502 -10.341 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -7.334 11.167 -11.269 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -7.612 9.550 -11.884 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -9.670 9.435 -10.352 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -9.426 11.138 -10.020 1.00 0.00 H new ATOM 202 N ARG A 14 -5.306 11.242 -8.545 1.00 0.00 N ATOM 203 CA ARG A 14 -4.738 12.142 -7.407 1.00 0.00 C ATOM 204 C ARG A 14 -5.732 13.341 -6.960 1.00 0.00 C ATOM 205 O ARG A 14 -5.987 14.321 -7.736 1.00 0.00 O ATOM 206 CB ARG A 14 -3.219 12.584 -7.750 1.00 0.00 C ATOM 207 CG ARG A 14 -2.293 12.960 -6.533 1.00 0.00 C ATOM 208 CD ARG A 14 -0.909 13.427 -6.974 1.00 0.00 C ATOM 209 NE ARG A 14 -0.043 13.831 -5.788 1.00 0.00 N ATOM 210 CZ ARG A 14 1.213 14.497 -5.757 1.00 0.00 C ATOM 211 NH1 ARG A 14 1.895 14.911 -6.871 1.00 0.00 N ATOM 212 NH2 ARG A 14 1.762 14.737 -4.573 1.00 0.00 N ATOM 0 H ARG A 14 -4.669 11.205 -9.341 1.00 0.00 H new ATOM 0 HA ARG A 14 -4.684 11.547 -6.496 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -2.745 11.770 -8.298 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -3.259 13.441 -8.423 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -2.769 13.747 -5.948 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -2.189 12.095 -5.879 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -0.416 12.629 -7.529 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -1.011 14.272 -7.654 1.00 0.00 H new ATOM 0 HE ARG A 14 -0.423 13.586 -4.874 1.00 0.00 H new ATOM 0 HH11 ARG A 14 1.504 14.746 -7.799 1.00 0.00 H new ATOM 0 HH12 ARG A 14 2.793 15.384 -6.773 1.00 0.00 H new ATOM 0 HH21 ARG A 14 1.284 14.446 -3.721 1.00 0.00 H new ATOM 0 HH22 ARG A 14 2.662 15.213 -4.515 1.00 0.00 H new ATOM 226 N GLY A 15 -6.295 13.136 -5.668 1.00 0.00 N ATOM 227 CA GLY A 15 -7.364 14.028 -4.999 1.00 0.00 C ATOM 228 C GLY A 15 -6.932 15.442 -4.461 1.00 0.00 C ATOM 229 O GLY A 15 -5.820 15.950 -4.789 1.00 0.00 O ATOM 0 H GLY A 15 -6.015 12.353 -5.077 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -8.168 14.179 -5.719 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -7.786 13.470 -4.163 1.00 0.00 H new ATOM 233 N ASN A 16 -7.878 16.052 -3.615 1.00 0.00 N ATOM 234 CA ASN A 16 -7.781 17.465 -2.955 1.00 0.00 C ATOM 235 C ASN A 16 -6.965 17.507 -1.571 1.00 0.00 C ATOM 236 O ASN A 16 -6.294 18.548 -1.277 1.00 0.00 O ATOM 237 CB ASN A 16 -9.238 18.145 -2.782 1.00 0.00 C ATOM 238 CG ASN A 16 -9.964 18.567 -4.097 1.00 0.00 C ATOM 239 OD1 ASN A 16 -9.783 19.686 -4.591 1.00 0.00 O ATOM 240 ND2 ASN A 16 -10.811 17.678 -4.633 1.00 0.00 N ATOM 0 H ASN A 16 -8.744 15.576 -3.364 1.00 0.00 H new ATOM 0 HA ASN A 16 -7.194 18.055 -3.659 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -9.880 17.446 -2.246 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -9.131 19.028 -2.152 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -11.333 17.915 -5.477 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -10.934 16.764 -4.197 1.00 0.00 H new ATOM 247 N SER A 17 -7.007 16.320 -0.765 1.00 0.00 N ATOM 248 CA SER A 17 -6.336 16.118 0.596 1.00 0.00 C ATOM 249 C SER A 17 -4.949 15.279 0.584 1.00 0.00 C ATOM 250 O SER A 17 -4.119 15.468 1.542 1.00 0.00 O ATOM 251 CB SER A 17 -7.384 15.547 1.671 1.00 0.00 C ATOM 252 OG SER A 17 -7.995 14.301 1.278 1.00 0.00 O ATOM 0 H SER A 17 -7.516 15.490 -1.068 1.00 0.00 H new ATOM 0 HA SER A 17 -6.020 17.115 0.902 1.00 0.00 H new ATOM 0 HB2 SER A 17 -6.874 15.407 2.624 1.00 0.00 H new ATOM 0 HB3 SER A 17 -8.165 16.289 1.834 1.00 0.00 H new ATOM 0 HG SER A 17 -8.619 14.008 1.975 1.00 0.00 H new ATOM 258 N GLY A 18 -4.680 14.407 -0.552 1.00 0.00 N ATOM 259 CA GLY A 18 -3.489 13.504 -0.668 1.00 0.00 C ATOM 260 C GLY A 18 -3.893 12.022 -0.619 1.00 0.00 C ATOM 261 O GLY A 18 -3.238 11.206 0.060 1.00 0.00 O ATOM 0 H GLY A 18 -5.300 14.354 -1.360 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -2.967 13.708 -1.603 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -2.790 13.718 0.141 1.00 0.00 H new ATOM 265 N LEU A 19 -5.067 11.703 -1.404 1.00 0.00 N ATOM 266 CA LEU A 19 -5.768 10.341 -1.692 1.00 0.00 C ATOM 267 C LEU A 19 -6.684 9.716 -0.565 1.00 0.00 C ATOM 268 O LEU A 19 -7.676 9.018 -0.904 1.00 0.00 O ATOM 269 CB LEU A 19 -4.868 9.269 -2.531 1.00 0.00 C ATOM 270 CG LEU A 19 -4.236 9.753 -3.862 1.00 0.00 C ATOM 271 CD1 LEU A 19 -2.843 9.168 -3.997 1.00 0.00 C ATOM 272 CD2 LEU A 19 -5.093 9.305 -5.041 1.00 0.00 C ATOM 0 H LEU A 19 -5.567 12.457 -1.876 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.538 10.666 -2.392 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.063 8.924 -1.882 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.493 8.403 -2.750 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.180 10.842 -3.858 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.395 9.506 -4.932 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.227 9.497 -3.160 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.904 8.080 -3.997 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.641 9.650 -5.971 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.158 8.217 -5.051 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.093 9.728 -4.945 1.00 0.00 H new ATOM 284 N GLY A 20 -6.327 9.989 0.776 1.00 0.00 N ATOM 285 CA GLY A 20 -7.139 9.591 1.997 1.00 0.00 C ATOM 286 C GLY A 20 -6.693 8.316 2.755 1.00 0.00 C ATOM 287 O GLY A 20 -7.577 7.576 3.254 1.00 0.00 O ATOM 0 H GLY A 20 -5.471 10.488 1.018 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -7.125 10.425 2.699 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -8.174 9.454 1.685 1.00 0.00 H new ATOM 291 N PHE A 21 -5.275 8.056 2.832 1.00 0.00 N ATOM 292 CA PHE A 21 -4.569 6.931 3.599 1.00 0.00 C ATOM 293 C PHE A 21 -3.035 7.367 3.916 1.00 0.00 C ATOM 294 O PHE A 21 -2.581 8.464 3.438 1.00 0.00 O ATOM 295 CB PHE A 21 -4.695 5.460 2.799 1.00 0.00 C ATOM 296 CG PHE A 21 -3.961 5.200 1.403 1.00 0.00 C ATOM 297 CD1 PHE A 21 -4.393 5.800 0.184 1.00 0.00 C ATOM 298 CD2 PHE A 21 -2.870 4.323 1.352 1.00 0.00 C ATOM 299 CE1 PHE A 21 -3.748 5.523 -1.009 1.00 0.00 C ATOM 300 CE2 PHE A 21 -2.231 4.047 0.145 1.00 0.00 C ATOM 301 CZ PHE A 21 -2.671 4.647 -1.030 1.00 0.00 C ATOM 0 H PHE A 21 -4.607 8.652 2.343 1.00 0.00 H new ATOM 0 HA PHE A 21 -5.068 6.777 4.556 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -4.343 4.693 3.489 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -5.757 5.278 2.636 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -5.233 6.478 0.191 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -2.520 3.855 2.260 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -4.083 5.989 -1.924 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -1.393 3.366 0.122 1.00 0.00 H new ATOM 0 HZ PHE A 21 -2.173 4.430 -1.963 1.00 0.00 H new ATOM 311 N SER A 22 -2.256 6.520 4.783 1.00 0.00 N ATOM 312 CA SER A 22 -0.745 6.619 4.997 1.00 0.00 C ATOM 313 C SER A 22 -0.089 5.186 5.020 1.00 0.00 C ATOM 314 O SER A 22 -0.737 4.192 5.516 1.00 0.00 O ATOM 315 CB SER A 22 -0.342 7.462 6.260 1.00 0.00 C ATOM 316 OG SER A 22 -0.694 8.835 6.140 1.00 0.00 O ATOM 0 H SER A 22 -2.681 5.771 5.330 1.00 0.00 H new ATOM 0 HA SER A 22 -0.348 7.169 4.144 1.00 0.00 H new ATOM 0 HB2 SER A 22 -0.827 7.043 7.141 1.00 0.00 H new ATOM 0 HB3 SER A 22 0.733 7.380 6.419 1.00 0.00 H new ATOM 0 HG SER A 22 -0.246 9.220 5.358 1.00 0.00 H new ATOM 322 N ILE A 23 1.232 5.075 4.465 1.00 0.00 N ATOM 323 CA ILE A 23 2.018 3.737 4.292 1.00 0.00 C ATOM 324 C ILE A 23 3.367 3.545 5.040 1.00 0.00 C ATOM 325 O ILE A 23 4.291 4.390 4.951 1.00 0.00 O ATOM 326 CB ILE A 23 1.987 3.016 2.814 1.00 0.00 C ATOM 327 CG1 ILE A 23 2.115 3.937 1.476 1.00 0.00 C ATOM 328 CG2 ILE A 23 0.733 2.201 2.765 1.00 0.00 C ATOM 329 CD1 ILE A 23 3.475 4.619 1.103 1.00 0.00 C ATOM 0 H ILE A 23 1.756 5.887 4.139 1.00 0.00 H new ATOM 0 HA ILE A 23 1.331 3.150 4.902 1.00 0.00 H new ATOM 0 HB ILE A 23 2.912 2.443 2.758 1.00 0.00 H new ATOM 0 HG12 ILE A 23 1.825 3.315 0.629 1.00 0.00 H new ATOM 0 HG13 ILE A 23 1.371 4.729 1.559 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.663 1.699 1.800 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.752 1.457 3.561 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -0.130 2.853 2.898 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.356 5.187 0.181 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.778 5.290 1.906 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.239 3.854 0.962 1.00 0.00 H new ATOM 341 N ALA A 24 3.420 2.319 5.795 1.00 0.00 N ATOM 342 CA ALA A 24 4.559 1.857 6.666 1.00 0.00 C ATOM 343 C ALA A 24 5.389 0.711 5.943 1.00 0.00 C ATOM 344 O ALA A 24 4.848 -0.394 5.632 1.00 0.00 O ATOM 345 CB ALA A 24 3.999 1.434 8.092 1.00 0.00 C ATOM 0 H ALA A 24 2.648 1.653 5.785 1.00 0.00 H new ATOM 0 HA ALA A 24 5.262 2.674 6.829 1.00 0.00 H new ATOM 0 HB1 ALA A 24 4.823 1.100 8.722 1.00 0.00 H new ATOM 0 HB2 ALA A 24 3.509 2.289 8.559 1.00 0.00 H new ATOM 0 HB3 ALA A 24 3.280 0.623 7.975 1.00 0.00 H new ATOM 351 N GLY A 25 6.712 1.044 5.688 1.00 0.00 N ATOM 352 CA GLY A 25 7.707 0.186 4.928 1.00 0.00 C ATOM 353 C GLY A 25 9.169 0.545 5.210 1.00 0.00 C ATOM 354 O GLY A 25 9.453 1.696 5.705 1.00 0.00 O ATOM 0 H GLY A 25 7.118 1.923 6.008 1.00 0.00 H new ATOM 0 HA2 GLY A 25 7.543 -0.860 5.185 1.00 0.00 H new ATOM 0 HA3 GLY A 25 7.517 0.285 3.859 1.00 0.00 H new ATOM 358 N GLY A 26 10.114 -0.451 4.883 1.00 0.00 N ATOM 359 CA GLY A 26 11.570 -0.273 5.234 1.00 0.00 C ATOM 360 C GLY A 26 12.555 -1.395 4.948 1.00 0.00 C ATOM 361 O GLY A 26 12.263 -2.593 5.207 1.00 0.00 O ATOM 0 H GLY A 26 9.891 -1.325 4.407 1.00 0.00 H new ATOM 0 HA2 GLY A 26 11.925 0.614 4.710 1.00 0.00 H new ATOM 0 HA3 GLY A 26 11.624 -0.056 6.301 1.00 0.00 H new ATOM 365 N THR A 27 13.750 -0.953 4.359 1.00 0.00 N ATOM 366 CA THR A 27 15.082 -1.750 4.300 1.00 0.00 C ATOM 367 C THR A 27 16.164 -1.223 5.338 1.00 0.00 C ATOM 368 O THR A 27 16.913 -2.060 5.933 1.00 0.00 O ATOM 369 CB THR A 27 15.748 -1.974 2.848 1.00 0.00 C ATOM 370 OG1 THR A 27 15.767 -0.794 2.027 1.00 0.00 O ATOM 371 CG2 THR A 27 15.167 -3.184 2.106 1.00 0.00 C ATOM 0 H THR A 27 13.823 -0.039 3.912 1.00 0.00 H new ATOM 0 HA THR A 27 14.749 -2.745 4.595 1.00 0.00 H new ATOM 0 HB THR A 27 16.793 -2.203 3.056 1.00 0.00 H new ATOM 0 HG1 THR A 27 16.185 -1.002 1.165 1.00 0.00 H new ATOM 0 HG21 THR A 27 15.654 -3.284 1.136 1.00 0.00 H new ATOM 0 HG22 THR A 27 15.338 -4.087 2.692 1.00 0.00 H new ATOM 0 HG23 THR A 27 14.096 -3.042 1.962 1.00 0.00 H new ATOM 379 N ASP A 28 16.189 0.196 5.559 1.00 0.00 N ATOM 380 CA ASP A 28 17.111 0.928 6.546 1.00 0.00 C ATOM 381 C ASP A 28 16.341 1.475 7.841 1.00 0.00 C ATOM 382 O ASP A 28 16.919 1.430 8.970 1.00 0.00 O ATOM 383 CB ASP A 28 17.990 2.090 5.849 1.00 0.00 C ATOM 384 CG ASP A 28 19.104 1.603 4.880 1.00 0.00 C ATOM 385 OD1 ASP A 28 18.818 1.450 3.667 1.00 0.00 O ATOM 386 OD2 ASP A 28 20.252 1.397 5.342 1.00 0.00 O ATOM 0 H ASP A 28 15.572 0.832 5.054 1.00 0.00 H new ATOM 0 HA ASP A 28 17.810 0.167 6.893 1.00 0.00 H new ATOM 0 HB2 ASP A 28 17.318 2.748 5.299 1.00 0.00 H new ATOM 0 HB3 ASP A 28 18.452 2.690 6.633 1.00 0.00 H new ATOM 391 N ASN A 29 14.996 1.956 7.636 1.00 0.00 N ATOM 392 CA ASN A 29 14.067 2.556 8.682 1.00 0.00 C ATOM 393 C ASN A 29 12.926 1.511 9.232 1.00 0.00 C ATOM 394 O ASN A 29 12.134 0.994 8.383 1.00 0.00 O ATOM 395 CB ASN A 29 13.448 3.976 8.229 1.00 0.00 C ATOM 396 CG ASN A 29 14.450 5.174 8.258 1.00 0.00 C ATOM 397 OD1 ASN A 29 14.599 5.851 9.282 1.00 0.00 O ATOM 398 ND2 ASN A 29 15.105 5.448 7.120 1.00 0.00 N ATOM 0 H ASN A 29 14.558 1.920 6.716 1.00 0.00 H new ATOM 0 HA ASN A 29 14.704 2.761 9.543 1.00 0.00 H new ATOM 0 HB2 ASN A 29 13.053 3.877 7.218 1.00 0.00 H new ATOM 0 HB3 ASN A 29 12.605 4.211 8.879 1.00 0.00 H new ATOM 0 HD21 ASN A 29 15.751 6.237 7.080 1.00 0.00 H new ATOM 0 HD22 ASN A 29 14.957 4.868 6.294 1.00 0.00 H new ATOM 405 N PRO A 30 12.839 1.130 10.729 1.00 0.00 N ATOM 406 CA PRO A 30 11.748 0.178 11.322 1.00 0.00 C ATOM 407 C PRO A 30 10.227 0.748 11.435 1.00 0.00 C ATOM 408 O PRO A 30 9.994 1.989 11.333 1.00 0.00 O ATOM 409 CB PRO A 30 12.306 -0.203 12.754 1.00 0.00 C ATOM 410 CG PRO A 30 13.652 0.478 12.940 1.00 0.00 C ATOM 411 CD PRO A 30 13.817 1.532 11.866 1.00 0.00 C ATOM 0 HA PRO A 30 11.614 -0.655 10.632 1.00 0.00 H new ATOM 0 HB2 PRO A 30 11.609 0.115 13.530 1.00 0.00 H new ATOM 0 HB3 PRO A 30 12.412 -1.284 12.845 1.00 0.00 H new ATOM 0 HG2 PRO A 30 13.711 0.934 13.928 1.00 0.00 H new ATOM 0 HG3 PRO A 30 14.457 -0.254 12.878 1.00 0.00 H new ATOM 0 HD2 PRO A 30 13.582 2.524 12.252 1.00 0.00 H new ATOM 0 HD3 PRO A 30 14.845 1.565 11.505 1.00 0.00 H new ATOM 419 N HIS A 31 9.235 -0.260 11.575 1.00 0.00 N ATOM 420 CA HIS A 31 7.776 -0.081 11.876 1.00 0.00 C ATOM 421 C HIS A 31 7.400 -0.663 13.352 1.00 0.00 C ATOM 422 O HIS A 31 6.922 0.113 14.214 1.00 0.00 O ATOM 423 CB HIS A 31 6.857 -0.699 10.624 1.00 0.00 C ATOM 424 CG HIS A 31 5.305 -0.932 10.860 1.00 0.00 C ATOM 425 ND1 HIS A 31 4.425 0.067 11.227 1.00 0.00 N ATOM 426 CD2 HIS A 31 4.572 -2.076 10.876 1.00 0.00 C ATOM 427 CE1 HIS A 31 3.240 -0.453 11.457 1.00 0.00 C ATOM 428 NE2 HIS A 31 3.301 -1.742 11.251 1.00 0.00 N ATOM 0 H HIS A 31 9.476 -1.246 11.471 1.00 0.00 H new ATOM 0 HA HIS A 31 7.535 0.981 11.932 1.00 0.00 H new ATOM 0 HB2 HIS A 31 6.964 -0.027 9.772 1.00 0.00 H new ATOM 0 HB3 HIS A 31 7.294 -1.654 10.334 1.00 0.00 H new ATOM 0 HD2 HIS A 31 4.928 -3.067 10.636 1.00 0.00 H new ATOM 0 HE1 HIS A 31 2.361 0.094 11.765 1.00 0.00 H new ATOM 0 HE2 HIS A 31 2.524 -2.395 11.354 1.00 0.00 H new ATOM 437 N ILE A 32 7.672 -2.039 13.557 1.00 0.00 N ATOM 438 CA ILE A 32 7.189 -2.916 14.682 1.00 0.00 C ATOM 439 C ILE A 32 8.437 -3.667 15.485 1.00 0.00 C ATOM 440 O ILE A 32 8.202 -4.598 16.312 1.00 0.00 O ATOM 441 CB ILE A 32 5.951 -3.946 14.045 1.00 0.00 C ATOM 442 CG1 ILE A 32 4.975 -4.504 15.102 1.00 0.00 C ATOM 443 CG2 ILE A 32 6.366 -5.090 13.020 1.00 0.00 C ATOM 444 CD1 ILE A 32 3.746 -3.613 15.412 1.00 0.00 C ATOM 0 H ILE A 32 8.257 -2.559 12.903 1.00 0.00 H new ATOM 0 HA ILE A 32 6.738 -2.329 15.482 1.00 0.00 H new ATOM 0 HB ILE A 32 5.433 -3.212 13.428 1.00 0.00 H new ATOM 0 HG12 ILE A 32 4.620 -5.478 14.765 1.00 0.00 H new ATOM 0 HG13 ILE A 32 5.525 -4.669 16.028 1.00 0.00 H new ATOM 0 HG21 ILE A 32 5.479 -5.645 12.716 1.00 0.00 H new ATOM 0 HG22 ILE A 32 6.832 -4.641 12.143 1.00 0.00 H new ATOM 0 HG23 ILE A 32 7.072 -5.769 13.498 1.00 0.00 H new ATOM 0 HD11 ILE A 32 3.126 -4.098 16.167 1.00 0.00 H new ATOM 0 HD12 ILE A 32 4.083 -2.646 15.785 1.00 0.00 H new ATOM 0 HD13 ILE A 32 3.163 -3.468 14.502 1.00 0.00 H new ATOM 456 N GLY A 33 9.712 -3.147 15.212 1.00 0.00 N ATOM 457 CA GLY A 33 11.041 -3.674 15.705 1.00 0.00 C ATOM 458 C GLY A 33 11.823 -4.487 14.657 1.00 0.00 C ATOM 459 O GLY A 33 12.119 -5.679 14.884 1.00 0.00 O ATOM 0 H GLY A 33 9.828 -2.323 14.622 1.00 0.00 H new ATOM 0 HA2 GLY A 33 11.655 -2.834 16.029 1.00 0.00 H new ATOM 0 HA3 GLY A 33 10.869 -4.300 16.581 1.00 0.00 H new ATOM 463 N ASP A 34 12.160 -3.767 13.456 1.00 0.00 N ATOM 464 CA ASP A 34 12.916 -4.241 12.176 1.00 0.00 C ATOM 465 C ASP A 34 12.127 -5.277 11.260 1.00 0.00 C ATOM 466 O ASP A 34 12.322 -6.544 11.327 1.00 0.00 O ATOM 467 CB ASP A 34 14.501 -4.536 12.361 1.00 0.00 C ATOM 468 CG ASP A 34 15.388 -3.286 12.572 1.00 0.00 C ATOM 469 OD1 ASP A 34 15.593 -2.888 13.746 1.00 0.00 O ATOM 470 OD2 ASP A 34 15.881 -2.723 11.565 1.00 0.00 O ATOM 0 H ASP A 34 11.890 -2.788 13.365 1.00 0.00 H new ATOM 0 HA ASP A 34 12.922 -3.339 11.564 1.00 0.00 H new ATOM 0 HB2 ASP A 34 14.632 -5.202 13.214 1.00 0.00 H new ATOM 0 HB3 ASP A 34 14.859 -5.070 11.481 1.00 0.00 H new ATOM 475 N ASP A 35 11.118 -4.657 10.494 1.00 0.00 N ATOM 476 CA ASP A 35 10.181 -5.334 9.484 1.00 0.00 C ATOM 477 C ASP A 35 10.693 -5.101 7.903 1.00 0.00 C ATOM 478 O ASP A 35 10.896 -3.909 7.517 1.00 0.00 O ATOM 479 CB ASP A 35 8.672 -4.822 9.751 1.00 0.00 C ATOM 480 CG ASP A 35 7.514 -5.693 9.153 1.00 0.00 C ATOM 481 OD1 ASP A 35 7.064 -6.645 9.835 1.00 0.00 O ATOM 482 OD2 ASP A 35 7.068 -5.397 8.020 1.00 0.00 O ATOM 0 H ASP A 35 10.937 -3.656 10.569 1.00 0.00 H new ATOM 0 HA ASP A 35 10.203 -6.414 9.627 1.00 0.00 H new ATOM 0 HB2 ASP A 35 8.523 -4.752 10.828 1.00 0.00 H new ATOM 0 HB3 ASP A 35 8.580 -3.813 9.350 1.00 0.00 H new ATOM 487 N PRO A 36 10.944 -6.301 6.955 1.00 0.00 N ATOM 488 CA PRO A 36 11.384 -6.159 5.460 1.00 0.00 C ATOM 489 C PRO A 36 10.259 -5.702 4.350 1.00 0.00 C ATOM 490 O PRO A 36 10.622 -4.984 3.373 1.00 0.00 O ATOM 491 CB PRO A 36 11.997 -7.583 5.120 1.00 0.00 C ATOM 492 CG PRO A 36 12.057 -8.353 6.424 1.00 0.00 C ATOM 493 CD PRO A 36 10.937 -7.819 7.287 1.00 0.00 C ATOM 0 HA PRO A 36 12.071 -5.316 5.381 1.00 0.00 H new ATOM 0 HB2 PRO A 36 11.380 -8.106 4.390 1.00 0.00 H new ATOM 0 HB3 PRO A 36 12.991 -7.483 4.684 1.00 0.00 H new ATOM 0 HG2 PRO A 36 11.937 -9.422 6.249 1.00 0.00 H new ATOM 0 HG3 PRO A 36 13.022 -8.216 6.912 1.00 0.00 H new ATOM 0 HD2 PRO A 36 9.981 -8.283 7.043 1.00 0.00 H new ATOM 0 HD3 PRO A 36 11.119 -8.003 8.346 1.00 0.00 H new ATOM 501 N SER A 37 8.901 -6.126 4.575 1.00 0.00 N ATOM 502 CA SER A 37 7.683 -5.887 3.642 1.00 0.00 C ATOM 503 C SER A 37 6.836 -4.557 3.974 1.00 0.00 C ATOM 504 O SER A 37 6.806 -4.110 5.164 1.00 0.00 O ATOM 505 CB SER A 37 6.771 -7.207 3.562 1.00 0.00 C ATOM 506 OG SER A 37 6.286 -7.656 4.844 1.00 0.00 O ATOM 0 H SER A 37 8.641 -6.642 5.415 1.00 0.00 H new ATOM 0 HA SER A 37 8.088 -5.690 2.649 1.00 0.00 H new ATOM 0 HB2 SER A 37 5.920 -7.011 2.910 1.00 0.00 H new ATOM 0 HB3 SER A 37 7.348 -8.009 3.101 1.00 0.00 H new ATOM 0 HG SER A 37 5.738 -8.460 4.723 1.00 0.00 H new ATOM 512 N ILE A 38 6.133 -3.944 2.862 1.00 0.00 N ATOM 513 CA ILE A 38 5.295 -2.639 2.933 1.00 0.00 C ATOM 514 C ILE A 38 3.735 -3.004 3.199 1.00 0.00 C ATOM 515 O ILE A 38 3.082 -3.716 2.395 1.00 0.00 O ATOM 516 CB ILE A 38 5.529 -1.541 1.618 1.00 0.00 C ATOM 517 CG1 ILE A 38 7.002 -1.510 0.797 1.00 0.00 C ATOM 518 CG2 ILE A 38 5.089 -0.050 1.928 1.00 0.00 C ATOM 519 CD1 ILE A 38 8.412 -1.718 1.527 1.00 0.00 C ATOM 0 H ILE A 38 6.147 -4.349 1.926 1.00 0.00 H new ATOM 0 HA ILE A 38 5.672 -2.070 3.783 1.00 0.00 H new ATOM 0 HB ILE A 38 4.844 -2.023 0.920 1.00 0.00 H new ATOM 0 HG12 ILE A 38 6.940 -2.273 0.021 1.00 0.00 H new ATOM 0 HG13 ILE A 38 7.054 -0.545 0.292 1.00 0.00 H new ATOM 0 HG21 ILE A 38 5.269 0.572 1.051 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.028 -0.028 2.177 1.00 0.00 H new ATOM 0 HG23 ILE A 38 5.667 0.332 2.769 1.00 0.00 H new ATOM 0 HD11 ILE A 38 9.215 -1.656 0.792 1.00 0.00 H new ATOM 0 HD12 ILE A 38 8.549 -0.943 2.281 1.00 0.00 H new ATOM 0 HD13 ILE A 38 8.433 -2.697 2.006 1.00 0.00 H new ATOM 531 N PHE A 39 3.231 -2.465 4.403 1.00 0.00 N ATOM 532 CA PHE A 39 1.900 -2.739 5.104 1.00 0.00 C ATOM 533 C PHE A 39 1.132 -1.369 5.468 1.00 0.00 C ATOM 534 O PHE A 39 1.789 -0.278 5.699 1.00 0.00 O ATOM 535 CB PHE A 39 2.274 -3.702 6.416 1.00 0.00 C ATOM 536 CG PHE A 39 1.249 -4.126 7.555 1.00 0.00 C ATOM 537 CD1 PHE A 39 0.109 -4.920 7.319 1.00 0.00 C ATOM 538 CD2 PHE A 39 1.515 -3.741 8.865 1.00 0.00 C ATOM 539 CE1 PHE A 39 -0.726 -5.290 8.373 1.00 0.00 C ATOM 540 CE2 PHE A 39 0.693 -4.116 9.919 1.00 0.00 C ATOM 541 CZ PHE A 39 -0.430 -4.887 9.671 1.00 0.00 C ATOM 0 H PHE A 39 3.785 -1.790 4.930 1.00 0.00 H new ATOM 0 HA PHE A 39 1.187 -3.261 4.466 1.00 0.00 H new ATOM 0 HB2 PHE A 39 2.665 -4.632 6.003 1.00 0.00 H new ATOM 0 HB3 PHE A 39 3.100 -3.207 6.926 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -0.120 -5.244 6.315 1.00 0.00 H new ATOM 0 HD2 PHE A 39 2.385 -3.134 9.068 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -1.603 -5.890 8.181 1.00 0.00 H new ATOM 0 HE2 PHE A 39 0.928 -3.808 10.927 1.00 0.00 H new ATOM 0 HZ PHE A 39 -1.077 -5.176 10.486 1.00 0.00 H new ATOM 551 N ILE A 40 -0.305 -1.466 5.486 1.00 0.00 N ATOM 552 CA ILE A 40 -1.293 -0.345 5.902 1.00 0.00 C ATOM 553 C ILE A 40 -1.540 -0.388 7.485 1.00 0.00 C ATOM 554 O ILE A 40 -1.618 -1.492 8.112 1.00 0.00 O ATOM 555 CB ILE A 40 -2.805 -0.389 5.116 1.00 0.00 C ATOM 556 CG1 ILE A 40 -2.892 -1.084 3.630 1.00 0.00 C ATOM 557 CG2 ILE A 40 -3.604 1.011 5.136 1.00 0.00 C ATOM 558 CD1 ILE A 40 -2.083 -0.488 2.456 1.00 0.00 C ATOM 0 H ILE A 40 -0.786 -2.323 5.212 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.810 0.582 5.593 1.00 0.00 H new ATOM 0 HB ILE A 40 -3.315 -1.100 5.766 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.588 -2.125 3.739 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -3.941 -1.088 3.334 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -4.554 0.895 4.615 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -3.790 1.309 6.168 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -3.009 1.777 4.639 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -2.263 -1.075 1.555 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.394 0.543 2.286 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.020 -0.511 2.698 1.00 0.00 H new ATOM 570 N THR A 41 -1.695 0.879 8.046 1.00 0.00 N ATOM 571 CA THR A 41 -1.973 1.226 9.537 1.00 0.00 C ATOM 572 C THR A 41 -2.846 2.520 9.747 1.00 0.00 C ATOM 573 O THR A 41 -3.582 2.585 10.795 1.00 0.00 O ATOM 574 CB THR A 41 -0.717 1.176 10.596 1.00 0.00 C ATOM 575 OG1 THR A 41 0.453 1.785 10.088 1.00 0.00 O ATOM 576 CG2 THR A 41 -0.385 -0.240 11.067 1.00 0.00 C ATOM 0 H THR A 41 -1.631 1.719 7.470 1.00 0.00 H new ATOM 0 HA THR A 41 -2.568 0.356 9.814 1.00 0.00 H new ATOM 0 HB THR A 41 -1.064 1.750 11.455 1.00 0.00 H new ATOM 0 HG1 THR A 41 1.167 1.729 10.757 1.00 0.00 H new ATOM 0 HG21 THR A 41 0.452 -0.205 11.764 1.00 0.00 H new ATOM 0 HG22 THR A 41 -1.254 -0.671 11.565 1.00 0.00 H new ATOM 0 HG23 THR A 41 -0.117 -0.856 10.208 1.00 0.00 H new ATOM 584 N LYS A 42 -2.824 3.562 8.702 1.00 0.00 N ATOM 585 CA LYS A 42 -3.639 4.823 8.795 1.00 0.00 C ATOM 586 C LYS A 42 -4.623 4.970 7.554 1.00 0.00 C ATOM 587 O LYS A 42 -4.194 4.881 6.359 1.00 0.00 O ATOM 588 CB LYS A 42 -2.669 6.107 9.038 1.00 0.00 C ATOM 589 CG LYS A 42 -3.209 7.293 9.927 1.00 0.00 C ATOM 590 CD LYS A 42 -3.833 8.458 9.127 1.00 0.00 C ATOM 591 CE LYS A 42 -4.397 9.509 10.063 1.00 0.00 C ATOM 592 NZ LYS A 42 -4.819 10.745 9.360 1.00 0.00 N ATOM 0 H LYS A 42 -2.259 3.496 7.855 1.00 0.00 H new ATOM 0 HA LYS A 42 -4.292 4.769 9.666 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -1.746 5.746 9.491 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -2.407 6.515 8.062 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -3.956 6.902 10.618 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -2.389 7.681 10.530 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -3.079 8.907 8.480 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -4.623 8.079 8.479 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -5.251 9.092 10.597 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -3.646 9.762 10.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -4.523 11.576 9.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -4.376 10.778 8.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -5.854 10.749 9.256 1.00 0.00 H new ATOM 606 N ILE A 43 -5.978 5.120 7.921 1.00 0.00 N ATOM 607 CA ILE A 43 -7.147 5.409 7.002 1.00 0.00 C ATOM 608 C ILE A 43 -7.874 6.748 7.518 1.00 0.00 C ATOM 609 O ILE A 43 -8.218 6.865 8.741 1.00 0.00 O ATOM 610 CB ILE A 43 -8.219 4.036 6.794 1.00 0.00 C ATOM 611 CG1 ILE A 43 -7.534 2.679 6.115 1.00 0.00 C ATOM 612 CG2 ILE A 43 -9.675 4.306 6.158 1.00 0.00 C ATOM 613 CD1 ILE A 43 -6.810 2.774 4.693 1.00 0.00 C ATOM 0 H ILE A 43 -6.273 5.037 8.894 1.00 0.00 H new ATOM 0 HA ILE A 43 -6.783 5.585 5.990 1.00 0.00 H new ATOM 0 HB ILE A 43 -8.403 3.828 7.848 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.802 2.295 6.826 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -8.319 1.928 6.029 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -10.223 3.366 6.091 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -10.225 5.002 6.791 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -9.563 4.732 5.161 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -6.426 1.793 4.414 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -7.525 3.111 3.942 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -5.985 3.483 4.752 1.00 0.00 H new ATOM 625 N ILE A 44 -8.090 7.727 6.522 1.00 0.00 N ATOM 626 CA ILE A 44 -8.887 9.030 6.687 1.00 0.00 C ATOM 627 C ILE A 44 -10.521 8.740 6.413 1.00 0.00 C ATOM 628 O ILE A 44 -10.838 8.131 5.352 1.00 0.00 O ATOM 629 CB ILE A 44 -8.210 10.344 5.773 1.00 0.00 C ATOM 630 CG1 ILE A 44 -6.744 10.813 6.214 1.00 0.00 C ATOM 631 CG2 ILE A 44 -9.050 11.661 5.744 1.00 0.00 C ATOM 632 CD1 ILE A 44 -5.567 9.922 5.882 1.00 0.00 C ATOM 0 H ILE A 44 -7.710 7.624 5.581 1.00 0.00 H new ATOM 0 HA ILE A 44 -8.805 9.373 7.719 1.00 0.00 H new ATOM 0 HB ILE A 44 -8.195 9.868 4.792 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -6.559 11.788 5.763 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -6.754 10.959 7.294 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -8.532 12.410 5.146 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -10.028 11.460 5.306 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -9.178 12.033 6.760 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -4.649 10.381 6.248 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -5.701 8.950 6.357 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -5.502 9.792 4.802 1.00 0.00 H new ATOM 644 N PRO A 45 -11.583 9.214 7.418 1.00 0.00 N ATOM 645 CA PRO A 45 -13.126 8.977 7.257 1.00 0.00 C ATOM 646 C PRO A 45 -13.879 9.660 5.973 1.00 0.00 C ATOM 647 O PRO A 45 -14.980 9.154 5.565 1.00 0.00 O ATOM 648 CB PRO A 45 -13.715 9.493 8.629 1.00 0.00 C ATOM 649 CG PRO A 45 -12.552 9.529 9.586 1.00 0.00 C ATOM 650 CD PRO A 45 -11.359 9.948 8.764 1.00 0.00 C ATOM 0 HA PRO A 45 -13.303 7.924 7.037 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -14.160 10.482 8.517 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -14.500 8.830 8.992 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -12.735 10.233 10.398 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -12.390 8.552 10.042 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -11.321 11.029 8.632 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -10.421 9.651 9.234 1.00 0.00 H new ATOM 658 N GLY A 46 -13.216 10.767 5.357 1.00 0.00 N ATOM 659 CA GLY A 46 -13.738 11.518 4.161 1.00 0.00 C ATOM 660 C GLY A 46 -12.751 11.700 2.965 1.00 0.00 C ATOM 661 O GLY A 46 -12.769 12.800 2.347 1.00 0.00 O ATOM 0 H GLY A 46 -12.325 11.128 5.696 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -14.625 11.001 3.795 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -14.058 12.506 4.492 1.00 0.00 H new ATOM 665 N GLY A 47 -11.868 10.602 2.652 1.00 0.00 N ATOM 666 CA GLY A 47 -10.951 10.538 1.433 1.00 0.00 C ATOM 667 C GLY A 47 -11.544 9.820 0.157 1.00 0.00 C ATOM 668 O GLY A 47 -12.717 9.349 0.161 1.00 0.00 O ATOM 0 H GLY A 47 -11.799 9.774 3.243 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -10.675 11.556 1.157 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -10.033 10.025 1.720 1.00 0.00 H new ATOM 672 N ALA A 48 -10.658 9.762 -0.941 1.00 0.00 N ATOM 673 CA ALA A 48 -10.902 9.183 -2.345 1.00 0.00 C ATOM 674 C ALA A 48 -10.751 7.578 -2.473 1.00 0.00 C ATOM 675 O ALA A 48 -11.535 6.954 -3.216 1.00 0.00 O ATOM 676 CB ALA A 48 -10.017 9.955 -3.389 1.00 0.00 C ATOM 0 H ALA A 48 -9.713 10.137 -0.859 1.00 0.00 H new ATOM 0 HA ALA A 48 -11.957 9.345 -2.564 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -10.189 9.546 -4.385 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -10.283 11.012 -3.380 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -8.965 9.843 -3.127 1.00 0.00 H new ATOM 682 N ALA A 49 -9.708 6.944 -1.700 1.00 0.00 N ATOM 683 CA ALA A 49 -9.394 5.432 -1.609 1.00 0.00 C ATOM 684 C ALA A 49 -10.319 4.584 -0.585 1.00 0.00 C ATOM 685 O ALA A 49 -10.484 3.323 -0.765 1.00 0.00 O ATOM 686 CB ALA A 49 -7.894 5.234 -1.323 1.00 0.00 C ATOM 0 H ALA A 49 -9.070 7.496 -1.127 1.00 0.00 H new ATOM 0 HA ALA A 49 -9.651 5.015 -2.583 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -7.673 4.168 -1.259 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.308 5.678 -2.128 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.637 5.715 -0.379 1.00 0.00 H new ATOM 692 N ALA A 50 -10.950 5.335 0.478 1.00 0.00 N ATOM 693 CA ALA A 50 -11.907 4.804 1.550 1.00 0.00 C ATOM 694 C ALA A 50 -13.446 4.766 1.078 1.00 0.00 C ATOM 695 O ALA A 50 -14.146 3.748 1.349 1.00 0.00 O ATOM 696 CB ALA A 50 -11.722 5.614 2.886 1.00 0.00 C ATOM 0 H ALA A 50 -10.783 6.336 0.585 1.00 0.00 H new ATOM 0 HA ALA A 50 -11.641 3.762 1.729 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -12.406 5.230 3.642 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -10.696 5.507 3.237 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -11.936 6.667 2.705 1.00 0.00 H new ATOM 702 N GLN A 51 -13.933 5.912 0.337 1.00 0.00 N ATOM 703 CA GLN A 51 -15.342 6.110 -0.246 1.00 0.00 C ATOM 704 C GLN A 51 -15.526 5.591 -1.756 1.00 0.00 C ATOM 705 O GLN A 51 -16.429 4.741 -1.990 1.00 0.00 O ATOM 706 CB GLN A 51 -15.870 7.625 -0.091 1.00 0.00 C ATOM 707 CG GLN A 51 -15.982 8.189 1.376 1.00 0.00 C ATOM 708 CD GLN A 51 -16.768 9.522 1.523 1.00 0.00 C ATOM 709 OE1 GLN A 51 -16.192 10.618 1.428 1.00 0.00 O ATOM 710 NE2 GLN A 51 -18.083 9.432 1.806 1.00 0.00 N ATOM 0 H GLN A 51 -13.328 6.711 0.145 1.00 0.00 H new ATOM 0 HA GLN A 51 -15.969 5.464 0.368 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -15.204 8.277 -0.656 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -16.853 7.692 -0.557 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -16.460 7.435 2.001 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -14.976 8.336 1.768 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -18.528 8.517 1.877 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -18.633 10.279 1.949 1.00 0.00 H new ATOM 719 N ASP A 52 -14.621 6.115 -2.773 1.00 0.00 N ATOM 720 CA ASP A 52 -14.701 5.846 -4.284 1.00 0.00 C ATOM 721 C ASP A 52 -13.879 4.584 -4.856 1.00 0.00 C ATOM 722 O ASP A 52 -14.381 3.925 -5.824 1.00 0.00 O ATOM 723 CB ASP A 52 -14.375 7.175 -5.099 1.00 0.00 C ATOM 724 CG ASP A 52 -15.515 8.231 -5.166 1.00 0.00 C ATOM 725 OD1 ASP A 52 -15.568 9.114 -4.276 1.00 0.00 O ATOM 726 OD2 ASP A 52 -16.331 8.171 -6.119 1.00 0.00 O ATOM 0 H ASP A 52 -13.839 6.724 -2.530 1.00 0.00 H new ATOM 0 HA ASP A 52 -15.736 5.541 -4.441 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -13.498 7.644 -4.654 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -14.105 6.896 -6.117 1.00 0.00 H new ATOM 731 N GLY A 53 -12.644 4.226 -4.202 1.00 0.00 N ATOM 732 CA GLY A 53 -11.668 3.133 -4.683 1.00 0.00 C ATOM 733 C GLY A 53 -11.921 1.668 -4.195 1.00 0.00 C ATOM 734 O GLY A 53 -11.926 0.741 -5.033 1.00 0.00 O ATOM 0 H GLY A 53 -12.327 4.690 -3.350 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -11.678 3.130 -5.773 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -10.663 3.421 -4.374 1.00 0.00 H new ATOM 738 N ARG A 54 -12.140 1.489 -2.789 1.00 0.00 N ATOM 739 CA ARG A 54 -12.392 0.176 -1.949 1.00 0.00 C ATOM 740 C ARG A 54 -11.084 -0.578 -1.413 1.00 0.00 C ATOM 741 O ARG A 54 -10.760 -1.768 -1.785 1.00 0.00 O ATOM 742 CB ARG A 54 -13.606 -0.792 -2.412 1.00 0.00 C ATOM 743 CG ARG A 54 -15.059 -0.247 -2.180 1.00 0.00 C ATOM 744 CD ARG A 54 -16.191 -1.225 -2.640 1.00 0.00 C ATOM 745 NE ARG A 54 -16.410 -2.452 -1.722 1.00 0.00 N ATOM 746 CZ ARG A 54 -17.296 -3.547 -1.871 1.00 0.00 C ATOM 747 NH1 ARG A 54 -18.162 -3.702 -2.924 1.00 0.00 N ATOM 748 NH2 ARG A 54 -17.293 -4.486 -0.932 1.00 0.00 N ATOM 0 H ARG A 54 -12.146 2.305 -2.176 1.00 0.00 H new ATOM 0 HA ARG A 54 -12.815 0.618 -1.047 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -13.487 -1.006 -3.474 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -13.508 -1.740 -1.883 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -15.189 -0.031 -1.120 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -15.171 0.697 -2.713 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -17.126 -0.669 -2.706 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -15.959 -1.579 -3.644 1.00 0.00 H new ATOM 0 HE ARG A 54 -15.829 -2.475 -0.884 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -18.195 -3.001 -3.665 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -18.773 -4.518 -2.966 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -16.664 -4.406 -0.133 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -17.919 -5.287 -1.010 1.00 0.00 H new ATOM 762 N LEU A 55 -10.245 0.262 -0.633 1.00 0.00 N ATOM 763 CA LEU A 55 -9.038 -0.126 0.166 1.00 0.00 C ATOM 764 C LEU A 55 -9.308 0.000 1.750 1.00 0.00 C ATOM 765 O LEU A 55 -9.880 1.029 2.251 1.00 0.00 O ATOM 766 CB LEU A 55 -7.793 0.777 -0.358 1.00 0.00 C ATOM 767 CG LEU A 55 -6.363 0.741 0.305 1.00 0.00 C ATOM 768 CD1 LEU A 55 -5.385 -0.199 -0.395 1.00 0.00 C ATOM 769 CD2 LEU A 55 -5.871 2.132 0.335 1.00 0.00 C ATOM 0 H LEU A 55 -10.430 1.263 -0.565 1.00 0.00 H new ATOM 0 HA LEU A 55 -8.794 -1.178 0.016 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.652 0.528 -1.410 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -8.126 1.814 -0.318 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.442 0.331 1.312 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.423 -0.171 0.117 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.778 -1.215 -0.373 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.254 0.117 -1.430 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.880 2.158 0.787 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.816 2.520 -0.682 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -6.554 2.747 0.922 1.00 0.00 H new ATOM 781 N ARG A 56 -8.886 -1.120 2.469 1.00 0.00 N ATOM 782 CA ARG A 56 -8.843 -1.288 3.983 1.00 0.00 C ATOM 783 C ARG A 56 -7.336 -1.381 4.551 1.00 0.00 C ATOM 784 O ARG A 56 -6.377 -1.655 3.778 1.00 0.00 O ATOM 785 CB ARG A 56 -9.867 -2.492 4.513 1.00 0.00 C ATOM 786 CG ARG A 56 -9.642 -3.989 4.182 1.00 0.00 C ATOM 787 CD ARG A 56 -10.759 -4.765 4.810 1.00 0.00 C ATOM 788 NE ARG A 56 -10.610 -6.273 4.643 1.00 0.00 N ATOM 789 CZ ARG A 56 -11.464 -7.326 5.076 1.00 0.00 C ATOM 790 NH1 ARG A 56 -12.647 -7.135 5.750 1.00 0.00 N ATOM 791 NH2 ARG A 56 -11.098 -8.575 4.814 1.00 0.00 N ATOM 0 H ARG A 56 -8.556 -1.957 1.989 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.241 -0.374 4.424 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -9.900 -2.416 5.600 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -10.861 -2.238 4.145 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -9.627 -4.145 3.103 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -8.679 -4.325 4.566 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -10.806 -4.526 5.873 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -11.705 -4.449 4.370 1.00 0.00 H new ATOM 0 HE ARG A 56 -9.771 -6.573 4.146 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -12.962 -6.190 5.970 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -13.210 -7.938 6.030 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -10.227 -8.757 4.316 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -11.688 -9.352 5.111 1.00 0.00 H new ATOM 805 N VAL A 57 -7.190 -1.198 5.948 1.00 0.00 N ATOM 806 CA VAL A 57 -5.872 -1.493 6.842 1.00 0.00 C ATOM 807 C VAL A 57 -5.320 -3.005 6.753 1.00 0.00 C ATOM 808 O VAL A 57 -4.081 -3.272 6.847 1.00 0.00 O ATOM 809 CB VAL A 57 -5.936 -1.008 8.418 1.00 0.00 C ATOM 810 CG1 VAL A 57 -5.724 0.467 8.550 1.00 0.00 C ATOM 811 CG2 VAL A 57 -7.250 -1.397 9.161 1.00 0.00 C ATOM 0 H VAL A 57 -7.960 -0.844 6.516 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.151 -0.840 6.350 1.00 0.00 H new ATOM 0 HB VAL A 57 -5.122 -1.552 8.897 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -5.773 0.749 9.602 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -4.746 0.731 8.149 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -6.499 0.997 7.996 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -7.206 -1.039 10.190 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -8.102 -0.943 8.655 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -7.362 -2.481 9.159 1.00 0.00 H new ATOM 821 N ASN A 58 -6.356 -3.919 6.524 1.00 0.00 N ATOM 822 CA ASN A 58 -6.290 -5.367 6.365 1.00 0.00 C ATOM 823 C ASN A 58 -6.103 -5.802 4.770 1.00 0.00 C ATOM 824 O ASN A 58 -5.963 -7.039 4.493 1.00 0.00 O ATOM 825 CB ASN A 58 -7.605 -5.957 7.095 1.00 0.00 C ATOM 826 CG ASN A 58 -7.544 -7.453 7.558 1.00 0.00 C ATOM 827 OD1 ASN A 58 -7.111 -7.752 8.676 1.00 0.00 O ATOM 828 ND2 ASN A 58 -8.010 -8.372 6.704 1.00 0.00 N ATOM 0 H ASN A 58 -7.318 -3.590 6.447 1.00 0.00 H new ATOM 0 HA ASN A 58 -5.407 -5.800 6.835 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -7.815 -5.339 7.968 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -8.450 -5.846 6.415 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -8.016 -9.357 6.968 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -8.360 -8.087 5.789 1.00 0.00 H new ATOM 835 N ASP A 59 -6.047 -4.720 3.718 1.00 0.00 N ATOM 836 CA ASP A 59 -5.766 -5.027 2.210 1.00 0.00 C ATOM 837 C ASP A 59 -4.240 -5.330 1.818 1.00 0.00 C ATOM 838 O ASP A 59 -3.987 -6.244 0.964 1.00 0.00 O ATOM 839 CB ASP A 59 -6.433 -4.009 1.192 1.00 0.00 C ATOM 840 CG ASP A 59 -7.830 -4.426 0.640 1.00 0.00 C ATOM 841 OD1 ASP A 59 -7.912 -5.411 -0.143 1.00 0.00 O ATOM 842 OD2 ASP A 59 -8.817 -3.758 0.961 1.00 0.00 O ATOM 0 H ASP A 59 -6.187 -3.730 3.921 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.282 -5.980 2.095 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -6.531 -3.042 1.685 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -5.756 -3.870 0.349 1.00 0.00 H new ATOM 847 N SER A 60 -3.191 -4.527 2.480 1.00 0.00 N ATOM 848 CA SER A 60 -1.606 -4.621 2.339 1.00 0.00 C ATOM 849 C SER A 60 -1.048 -4.743 0.826 1.00 0.00 C ATOM 850 O SER A 60 -1.327 -5.765 0.122 1.00 0.00 O ATOM 851 CB SER A 60 -0.988 -5.715 3.356 1.00 0.00 C ATOM 852 OG SER A 60 0.448 -5.679 3.452 1.00 0.00 O ATOM 0 H SER A 60 -3.452 -3.789 3.134 1.00 0.00 H new ATOM 0 HA SER A 60 -1.230 -3.645 2.646 1.00 0.00 H new ATOM 0 HB2 SER A 60 -1.412 -5.555 4.347 1.00 0.00 H new ATOM 0 HB3 SER A 60 -1.296 -6.710 3.034 1.00 0.00 H new ATOM 0 HG SER A 60 0.751 -6.364 4.084 1.00 0.00 H new ATOM 858 N ILE A 61 -0.225 -3.685 0.379 1.00 0.00 N ATOM 859 CA ILE A 61 0.338 -3.547 -1.072 1.00 0.00 C ATOM 860 C ILE A 61 1.718 -4.383 -1.227 1.00 0.00 C ATOM 861 O ILE A 61 2.666 -4.221 -0.404 1.00 0.00 O ATOM 862 CB ILE A 61 0.536 -1.935 -1.635 1.00 0.00 C ATOM 863 CG1 ILE A 61 -0.701 -0.951 -1.216 1.00 0.00 C ATOM 864 CG2 ILE A 61 0.672 -1.918 -3.256 1.00 0.00 C ATOM 865 CD1 ILE A 61 -0.402 0.595 -1.095 1.00 0.00 C ATOM 0 H ILE A 61 0.063 -2.922 0.991 1.00 0.00 H new ATOM 0 HA ILE A 61 -0.433 -3.971 -1.715 1.00 0.00 H new ATOM 0 HB ILE A 61 1.443 -1.560 -1.160 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.497 -1.082 -1.949 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.091 -1.293 -0.257 1.00 0.00 H new ATOM 0 HG21 ILE A 61 0.797 -0.891 -3.600 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.538 -2.509 -3.555 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.228 -2.343 -3.701 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.314 1.121 -0.811 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.363 0.759 -0.336 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.049 0.973 -2.054 1.00 0.00 H new ATOM 877 N LEU A 62 1.740 -5.277 -2.336 1.00 0.00 N ATOM 878 CA LEU A 62 2.976 -6.009 -2.847 1.00 0.00 C ATOM 879 C LEU A 62 3.698 -5.248 -4.011 1.00 0.00 C ATOM 880 O LEU A 62 4.962 -5.168 -4.010 1.00 0.00 O ATOM 881 CB LEU A 62 2.729 -7.596 -3.171 1.00 0.00 C ATOM 882 CG LEU A 62 1.647 -8.097 -4.227 1.00 0.00 C ATOM 883 CD1 LEU A 62 2.048 -9.441 -4.720 1.00 0.00 C ATOM 884 CD2 LEU A 62 0.264 -8.228 -3.612 1.00 0.00 C ATOM 0 H LEU A 62 0.902 -5.492 -2.877 1.00 0.00 H new ATOM 0 HA LEU A 62 3.671 -6.005 -2.007 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.689 -8.001 -3.492 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.483 -8.073 -2.222 1.00 0.00 H new ATOM 0 HG LEU A 62 1.605 -7.361 -5.029 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.315 -9.796 -5.444 1.00 0.00 H new ATOM 0 HD12 LEU A 62 3.027 -9.377 -5.195 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.096 -10.136 -3.882 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.440 -8.572 -4.370 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.296 -8.947 -2.793 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.058 -7.259 -3.231 1.00 0.00 H new ATOM 896 N PHE A 63 2.833 -4.683 -5.024 1.00 0.00 N ATOM 897 CA PHE A 63 3.328 -3.971 -6.288 1.00 0.00 C ATOM 898 C PHE A 63 2.630 -2.620 -6.529 1.00 0.00 C ATOM 899 O PHE A 63 1.383 -2.563 -6.650 1.00 0.00 O ATOM 900 CB PHE A 63 3.296 -4.956 -7.602 1.00 0.00 C ATOM 901 CG PHE A 63 4.374 -6.113 -7.626 1.00 0.00 C ATOM 902 CD1 PHE A 63 4.185 -7.309 -6.920 1.00 0.00 C ATOM 903 CD2 PHE A 63 5.538 -5.968 -8.339 1.00 0.00 C ATOM 904 CE1 PHE A 63 5.120 -8.312 -6.933 1.00 0.00 C ATOM 905 CE2 PHE A 63 6.483 -6.955 -8.376 1.00 0.00 C ATOM 906 CZ PHE A 63 6.282 -8.146 -7.676 1.00 0.00 C ATOM 0 H PHE A 63 1.816 -4.723 -4.960 1.00 0.00 H new ATOM 0 HA PHE A 63 4.376 -3.725 -6.114 1.00 0.00 H new ATOM 0 HB2 PHE A 63 2.306 -5.407 -7.670 1.00 0.00 H new ATOM 0 HB3 PHE A 63 3.429 -4.344 -8.494 1.00 0.00 H new ATOM 0 HD1 PHE A 63 3.278 -7.444 -6.350 1.00 0.00 H new ATOM 0 HD2 PHE A 63 5.711 -5.052 -8.884 1.00 0.00 H new ATOM 0 HE1 PHE A 63 4.955 -9.220 -6.372 1.00 0.00 H new ATOM 0 HE2 PHE A 63 7.388 -6.813 -8.948 1.00 0.00 H new ATOM 0 HZ PHE A 63 7.023 -8.931 -7.712 1.00 0.00 H new ATOM 916 N VAL A 64 3.474 -1.489 -6.570 1.00 0.00 N ATOM 917 CA VAL A 64 2.923 -0.030 -6.719 1.00 0.00 C ATOM 918 C VAL A 64 3.464 0.684 -7.979 1.00 0.00 C ATOM 919 O VAL A 64 4.620 0.711 -8.171 1.00 0.00 O ATOM 920 CB VAL A 64 2.939 0.832 -5.312 1.00 0.00 C ATOM 921 CG1 VAL A 64 4.201 1.408 -4.658 1.00 0.00 C ATOM 922 CG2 VAL A 64 1.613 1.421 -4.862 1.00 0.00 C ATOM 0 H VAL A 64 4.491 -1.543 -6.506 1.00 0.00 H new ATOM 0 HA VAL A 64 1.854 -0.110 -6.918 1.00 0.00 H new ATOM 0 HB VAL A 64 3.171 -0.105 -4.806 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.929 1.931 -3.741 1.00 0.00 H new ATOM 0 HG12 VAL A 64 4.891 0.598 -4.423 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.681 2.106 -5.345 1.00 0.00 H new ATOM 0 HG21 VAL A 64 1.754 1.963 -3.927 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.241 2.105 -5.625 1.00 0.00 H new ATOM 0 HG23 VAL A 64 0.891 0.618 -4.711 1.00 0.00 H new ATOM 932 N ASN A 65 2.513 1.299 -8.850 1.00 0.00 N ATOM 933 CA ASN A 65 2.745 1.938 -10.328 1.00 0.00 C ATOM 934 C ASN A 65 2.940 0.742 -11.471 1.00 0.00 C ATOM 935 O ASN A 65 3.111 1.028 -12.692 1.00 0.00 O ATOM 936 CB ASN A 65 4.040 3.021 -10.380 1.00 0.00 C ATOM 937 CG ASN A 65 3.987 4.127 -11.470 1.00 0.00 C ATOM 938 OD1 ASN A 65 3.436 5.193 -11.247 1.00 0.00 O ATOM 939 ND2 ASN A 65 4.595 3.864 -12.631 1.00 0.00 N ATOM 0 H ASN A 65 1.537 1.381 -8.567 1.00 0.00 H new ATOM 0 HA ASN A 65 1.845 2.508 -10.561 1.00 0.00 H new ATOM 0 HB2 ASN A 65 4.116 3.507 -9.407 1.00 0.00 H new ATOM 0 HB3 ASN A 65 4.956 2.448 -10.522 1.00 0.00 H new ATOM 0 HD21 ASN A 65 4.610 4.567 -13.370 1.00 0.00 H new ATOM 0 HD22 ASN A 65 5.044 2.960 -12.778 1.00 0.00 H new ATOM 946 N GLU A 66 2.783 -0.623 -10.982 1.00 0.00 N ATOM 947 CA GLU A 66 3.214 -2.008 -11.583 1.00 0.00 C ATOM 948 C GLU A 66 4.824 -2.305 -11.236 1.00 0.00 C ATOM 949 O GLU A 66 5.466 -3.227 -11.843 1.00 0.00 O ATOM 950 CB GLU A 66 2.741 -2.252 -13.170 1.00 0.00 C ATOM 951 CG GLU A 66 2.621 -3.747 -13.678 1.00 0.00 C ATOM 952 CD GLU A 66 2.186 -3.888 -15.155 1.00 0.00 C ATOM 953 OE1 GLU A 66 3.077 -3.931 -16.048 1.00 0.00 O ATOM 954 OE2 GLU A 66 0.956 -3.987 -15.416 1.00 0.00 O ATOM 0 H GLU A 66 2.314 -0.771 -10.088 1.00 0.00 H new ATOM 0 HA GLU A 66 2.646 -2.792 -11.081 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.773 -1.771 -13.310 1.00 0.00 H new ATOM 0 HB3 GLU A 66 3.450 -1.734 -13.815 1.00 0.00 H new ATOM 0 HG2 GLU A 66 3.584 -4.241 -13.547 1.00 0.00 H new ATOM 0 HG3 GLU A 66 1.904 -4.275 -13.049 1.00 0.00 H new ATOM 961 N VAL A 67 5.404 -1.532 -10.119 1.00 0.00 N ATOM 962 CA VAL A 67 6.849 -1.597 -9.630 1.00 0.00 C ATOM 963 C VAL A 67 7.044 -2.588 -8.438 1.00 0.00 C ATOM 964 O VAL A 67 6.119 -2.732 -7.556 1.00 0.00 O ATOM 965 CB VAL A 67 7.650 -0.114 -9.371 1.00 0.00 C ATOM 966 CG1 VAL A 67 7.549 0.847 -10.492 1.00 0.00 C ATOM 967 CG2 VAL A 67 7.612 0.604 -7.933 1.00 0.00 C ATOM 0 H VAL A 67 4.844 -0.873 -9.578 1.00 0.00 H new ATOM 0 HA VAL A 67 7.364 -2.004 -10.500 1.00 0.00 H new ATOM 0 HB VAL A 67 8.661 -0.521 -9.344 1.00 0.00 H new ATOM 0 HG11 VAL A 67 8.088 1.760 -10.238 1.00 0.00 H new ATOM 0 HG12 VAL A 67 7.984 0.407 -11.389 1.00 0.00 H new ATOM 0 HG13 VAL A 67 6.501 1.083 -10.675 1.00 0.00 H new ATOM 0 HG21 VAL A 67 8.180 1.533 -7.975 1.00 0.00 H new ATOM 0 HG22 VAL A 67 6.579 0.822 -7.663 1.00 0.00 H new ATOM 0 HG23 VAL A 67 8.051 -0.056 -7.185 1.00 0.00 H new ATOM 977 N ASP A 68 8.353 -3.096 -8.358 1.00 0.00 N ATOM 978 CA ASP A 68 8.858 -4.047 -7.332 1.00 0.00 C ATOM 979 C ASP A 68 9.306 -3.364 -5.956 1.00 0.00 C ATOM 980 O ASP A 68 10.464 -2.843 -5.821 1.00 0.00 O ATOM 981 CB ASP A 68 9.835 -5.230 -7.899 1.00 0.00 C ATOM 982 CG ASP A 68 11.146 -4.801 -8.660 1.00 0.00 C ATOM 983 OD1 ASP A 68 11.088 -4.637 -9.901 1.00 0.00 O ATOM 984 OD2 ASP A 68 12.198 -4.649 -7.998 1.00 0.00 O ATOM 0 H ASP A 68 9.073 -2.832 -9.030 1.00 0.00 H new ATOM 0 HA ASP A 68 7.972 -4.612 -7.041 1.00 0.00 H new ATOM 0 HB2 ASP A 68 10.127 -5.855 -7.055 1.00 0.00 H new ATOM 0 HB3 ASP A 68 9.248 -5.856 -8.571 1.00 0.00 H new ATOM 989 N VAL A 69 8.280 -3.328 -4.988 1.00 0.00 N ATOM 990 CA VAL A 69 8.429 -2.756 -3.544 1.00 0.00 C ATOM 991 C VAL A 69 8.781 -3.830 -2.397 1.00 0.00 C ATOM 992 O VAL A 69 9.077 -3.444 -1.243 1.00 0.00 O ATOM 993 CB VAL A 69 7.329 -1.599 -3.075 1.00 0.00 C ATOM 994 CG1 VAL A 69 7.404 -0.328 -3.851 1.00 0.00 C ATOM 995 CG2 VAL A 69 5.845 -2.037 -2.815 1.00 0.00 C ATOM 0 H VAL A 69 7.343 -3.686 -5.176 1.00 0.00 H new ATOM 0 HA VAL A 69 9.346 -2.179 -3.661 1.00 0.00 H new ATOM 0 HB VAL A 69 7.700 -1.406 -2.068 1.00 0.00 H new ATOM 0 HG11 VAL A 69 6.653 0.370 -3.480 1.00 0.00 H new ATOM 0 HG12 VAL A 69 8.395 0.111 -3.736 1.00 0.00 H new ATOM 0 HG13 VAL A 69 7.219 -0.534 -4.905 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.256 -1.169 -2.518 1.00 0.00 H new ATOM 0 HG22 VAL A 69 5.427 -2.464 -3.726 1.00 0.00 H new ATOM 0 HG23 VAL A 69 5.820 -2.782 -2.020 1.00 0.00 H new ATOM 1005 N ARG A 70 8.841 -5.187 -2.811 1.00 0.00 N ATOM 1006 CA ARG A 70 9.164 -6.479 -1.933 1.00 0.00 C ATOM 1007 C ARG A 70 10.474 -6.385 -0.958 1.00 0.00 C ATOM 1008 O ARG A 70 10.506 -7.035 0.128 1.00 0.00 O ATOM 1009 CB ARG A 70 9.229 -7.786 -2.844 1.00 0.00 C ATOM 1010 CG ARG A 70 7.853 -8.349 -3.374 1.00 0.00 C ATOM 1011 CD ARG A 70 7.985 -9.627 -4.269 1.00 0.00 C ATOM 1012 NE ARG A 70 8.337 -10.927 -3.504 1.00 0.00 N ATOM 1013 CZ ARG A 70 8.534 -12.241 -3.996 1.00 0.00 C ATOM 1014 NH1 ARG A 70 8.434 -12.595 -5.318 1.00 0.00 N ATOM 1015 NH2 ARG A 70 8.834 -13.196 -3.124 1.00 0.00 N ATOM 0 H ARG A 70 8.665 -5.438 -3.784 1.00 0.00 H new ATOM 0 HA ARG A 70 8.324 -6.542 -1.242 1.00 0.00 H new ATOM 0 HB2 ARG A 70 9.862 -7.570 -3.704 1.00 0.00 H new ATOM 0 HB3 ARG A 70 9.722 -8.574 -2.275 1.00 0.00 H new ATOM 0 HG2 ARG A 70 7.215 -8.581 -2.521 1.00 0.00 H new ATOM 0 HG3 ARG A 70 7.350 -7.569 -3.946 1.00 0.00 H new ATOM 0 HD2 ARG A 70 7.046 -9.779 -4.801 1.00 0.00 H new ATOM 0 HD3 ARG A 70 8.752 -9.447 -5.022 1.00 0.00 H new ATOM 0 HE ARG A 70 8.443 -10.821 -2.495 1.00 0.00 H new ATOM 0 HH11 ARG A 70 8.204 -11.890 -6.019 1.00 0.00 H new ATOM 0 HH12 ARG A 70 8.589 -13.563 -5.600 1.00 0.00 H new ATOM 0 HH21 ARG A 70 8.916 -12.973 -2.132 1.00 0.00 H new ATOM 0 HH22 ARG A 70 8.982 -14.152 -3.446 1.00 0.00 H new ATOM 1029 N GLU A 71 11.524 -5.485 -1.401 1.00 0.00 N ATOM 1030 CA GLU A 71 12.816 -5.095 -0.731 1.00 0.00 C ATOM 1031 C GLU A 71 13.225 -3.606 -1.189 1.00 0.00 C ATOM 1032 O GLU A 71 13.983 -3.385 -2.216 1.00 0.00 O ATOM 1033 CB GLU A 71 14.008 -6.146 -0.960 1.00 0.00 C ATOM 1034 CG GLU A 71 14.093 -7.359 0.028 1.00 0.00 C ATOM 1035 CD GLU A 71 15.250 -8.348 -0.260 1.00 0.00 C ATOM 1036 OE1 GLU A 71 16.364 -8.155 0.299 1.00 0.00 O ATOM 1037 OE2 GLU A 71 15.030 -9.333 -1.019 1.00 0.00 O ATOM 0 H GLU A 71 11.433 -5.010 -2.299 1.00 0.00 H new ATOM 0 HA GLU A 71 12.645 -5.109 0.345 1.00 0.00 H new ATOM 0 HB2 GLU A 71 13.921 -6.540 -1.972 1.00 0.00 H new ATOM 0 HB3 GLU A 71 14.952 -5.603 -0.910 1.00 0.00 H new ATOM 0 HG2 GLU A 71 14.204 -6.977 1.043 1.00 0.00 H new ATOM 0 HG3 GLU A 71 13.150 -7.904 -0.006 1.00 0.00 H new ATOM 1044 N VAL A 72 12.565 -2.572 -0.478 1.00 0.00 N ATOM 1045 CA VAL A 72 12.826 -1.031 -0.623 1.00 0.00 C ATOM 1046 C VAL A 72 12.730 -0.333 0.814 1.00 0.00 C ATOM 1047 O VAL A 72 12.193 -0.923 1.777 1.00 0.00 O ATOM 1048 CB VAL A 72 11.822 -0.197 -1.798 1.00 0.00 C ATOM 1049 CG1 VAL A 72 11.896 -0.754 -3.241 1.00 0.00 C ATOM 1050 CG2 VAL A 72 10.355 0.241 -1.455 1.00 0.00 C ATOM 0 H VAL A 72 11.840 -2.776 0.210 1.00 0.00 H new ATOM 0 HA VAL A 72 13.834 -0.942 -1.029 1.00 0.00 H new ATOM 0 HB VAL A 72 12.359 0.748 -1.723 1.00 0.00 H new ATOM 0 HG11 VAL A 72 11.241 -0.172 -3.890 1.00 0.00 H new ATOM 0 HG12 VAL A 72 12.921 -0.686 -3.605 1.00 0.00 H new ATOM 0 HG13 VAL A 72 11.578 -1.796 -3.245 1.00 0.00 H new ATOM 0 HG21 VAL A 72 9.913 0.739 -2.318 1.00 0.00 H new ATOM 0 HG22 VAL A 72 9.763 -0.638 -1.201 1.00 0.00 H new ATOM 0 HG23 VAL A 72 10.369 0.927 -0.608 1.00 0.00 H new ATOM 1060 N THR A 73 13.178 0.980 0.836 1.00 0.00 N ATOM 1061 CA THR A 73 12.997 2.039 1.972 1.00 0.00 C ATOM 1062 C THR A 73 11.539 2.716 1.871 1.00 0.00 C ATOM 1063 O THR A 73 10.882 2.589 0.800 1.00 0.00 O ATOM 1064 CB THR A 73 14.142 3.201 1.962 1.00 0.00 C ATOM 1065 OG1 THR A 73 14.474 3.688 0.643 1.00 0.00 O ATOM 1066 CG2 THR A 73 15.396 2.826 2.727 1.00 0.00 C ATOM 0 H THR A 73 13.696 1.366 0.047 1.00 0.00 H new ATOM 0 HA THR A 73 13.101 1.500 2.914 1.00 0.00 H new ATOM 0 HB THR A 73 13.671 4.027 2.495 1.00 0.00 H new ATOM 0 HG1 THR A 73 15.163 4.381 0.714 1.00 0.00 H new ATOM 0 HG21 THR A 73 16.112 3.646 2.677 1.00 0.00 H new ATOM 0 HG22 THR A 73 15.142 2.630 3.769 1.00 0.00 H new ATOM 0 HG23 THR A 73 15.837 1.932 2.287 1.00 0.00 H new ATOM 1074 N HIS A 74 11.039 3.457 2.993 1.00 0.00 N ATOM 1075 CA HIS A 74 9.638 4.230 3.035 1.00 0.00 C ATOM 1076 C HIS A 74 9.435 5.266 1.793 1.00 0.00 C ATOM 1077 O HIS A 74 8.505 5.078 0.914 1.00 0.00 O ATOM 1078 CB HIS A 74 9.302 4.876 4.503 1.00 0.00 C ATOM 1079 CG HIS A 74 10.197 6.052 5.083 1.00 0.00 C ATOM 1080 ND1 HIS A 74 11.426 5.866 5.699 1.00 0.00 N ATOM 1081 CD2 HIS A 74 9.981 7.403 5.108 1.00 0.00 C ATOM 1082 CE1 HIS A 74 11.922 7.052 6.073 1.00 0.00 C ATOM 1083 NE2 HIS A 74 11.063 7.988 5.724 1.00 0.00 N ATOM 0 H HIS A 74 11.562 3.541 3.865 1.00 0.00 H new ATOM 0 HA HIS A 74 8.875 3.466 2.885 1.00 0.00 H new ATOM 0 HB2 HIS A 74 8.275 5.239 4.469 1.00 0.00 H new ATOM 0 HB3 HIS A 74 9.329 4.062 5.228 1.00 0.00 H new ATOM 0 HD2 HIS A 74 9.117 7.917 4.715 1.00 0.00 H new ATOM 0 HE1 HIS A 74 12.865 7.214 6.575 1.00 0.00 H new ATOM 0 HE2 HIS A 74 11.181 8.988 5.885 1.00 0.00 H new ATOM 1092 N SER A 75 10.560 6.154 1.619 1.00 0.00 N ATOM 1093 CA SER A 75 10.753 7.224 0.530 1.00 0.00 C ATOM 1094 C SER A 75 10.753 6.614 -0.980 1.00 0.00 C ATOM 1095 O SER A 75 10.149 7.242 -1.872 1.00 0.00 O ATOM 1096 CB SER A 75 12.055 8.070 0.857 1.00 0.00 C ATOM 1097 OG SER A 75 12.196 9.250 0.044 1.00 0.00 O ATOM 0 H SER A 75 11.355 6.122 2.257 1.00 0.00 H new ATOM 0 HA SER A 75 9.890 7.890 0.547 1.00 0.00 H new ATOM 0 HB2 SER A 75 12.034 8.363 1.907 1.00 0.00 H new ATOM 0 HB3 SER A 75 12.932 7.438 0.720 1.00 0.00 H new ATOM 0 HG SER A 75 13.015 9.725 0.297 1.00 0.00 H new ATOM 1103 N ALA A 76 11.277 5.242 -1.152 1.00 0.00 N ATOM 1104 CA ALA A 76 11.367 4.464 -2.437 1.00 0.00 C ATOM 1105 C ALA A 76 9.945 3.816 -2.885 1.00 0.00 C ATOM 1106 O ALA A 76 9.746 3.504 -4.103 1.00 0.00 O ATOM 1107 CB ALA A 76 12.471 3.416 -2.259 1.00 0.00 C ATOM 0 H ALA A 76 11.631 4.708 -0.358 1.00 0.00 H new ATOM 0 HA ALA A 76 11.621 5.133 -3.259 1.00 0.00 H new ATOM 0 HB1 ALA A 76 12.567 2.830 -3.173 1.00 0.00 H new ATOM 0 HB2 ALA A 76 13.416 3.916 -2.048 1.00 0.00 H new ATOM 0 HB3 ALA A 76 12.216 2.756 -1.430 1.00 0.00 H new ATOM 1113 N ALA A 77 8.941 3.671 -1.826 1.00 0.00 N ATOM 1114 CA ALA A 77 7.473 3.279 -2.005 1.00 0.00 C ATOM 1115 C ALA A 77 6.526 4.550 -2.293 1.00 0.00 C ATOM 1116 O ALA A 77 5.564 4.431 -3.091 1.00 0.00 O ATOM 1117 CB ALA A 77 6.982 2.462 -0.782 1.00 0.00 C ATOM 0 H ALA A 77 9.176 3.833 -0.847 1.00 0.00 H new ATOM 0 HA ALA A 77 7.406 2.647 -2.891 1.00 0.00 H new ATOM 0 HB1 ALA A 77 5.936 2.190 -0.923 1.00 0.00 H new ATOM 0 HB2 ALA A 77 7.582 1.558 -0.684 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.082 3.064 0.121 1.00 0.00 H new ATOM 1123 N VAL A 78 6.898 5.798 -1.650 1.00 0.00 N ATOM 1124 CA VAL A 78 6.212 7.232 -1.826 1.00 0.00 C ATOM 1125 C VAL A 78 6.531 7.878 -3.317 1.00 0.00 C ATOM 1126 O VAL A 78 5.635 8.463 -3.925 1.00 0.00 O ATOM 1127 CB VAL A 78 6.612 8.267 -0.530 1.00 0.00 C ATOM 1128 CG1 VAL A 78 5.986 9.690 -0.564 1.00 0.00 C ATOM 1129 CG2 VAL A 78 6.184 7.685 0.815 1.00 0.00 C ATOM 0 H VAL A 78 7.681 5.836 -0.997 1.00 0.00 H new ATOM 0 HA VAL A 78 5.130 7.105 -1.787 1.00 0.00 H new ATOM 0 HB VAL A 78 7.692 8.353 -0.647 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.313 10.253 0.310 1.00 0.00 H new ATOM 0 HG12 VAL A 78 6.306 10.207 -1.469 1.00 0.00 H new ATOM 0 HG13 VAL A 78 4.899 9.610 -0.557 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.457 8.375 1.613 1.00 0.00 H new ATOM 0 HG22 VAL A 78 5.105 7.534 0.819 1.00 0.00 H new ATOM 0 HG23 VAL A 78 6.684 6.730 0.974 1.00 0.00 H new ATOM 1139 N GLU A 79 7.837 7.683 -3.827 1.00 0.00 N ATOM 1140 CA GLU A 79 8.451 8.075 -5.243 1.00 0.00 C ATOM 1141 C GLU A 79 7.793 7.321 -6.517 1.00 0.00 C ATOM 1142 O GLU A 79 8.094 7.634 -7.692 1.00 0.00 O ATOM 1143 CB GLU A 79 10.009 7.909 -5.256 1.00 0.00 C ATOM 1144 CG GLU A 79 10.798 9.007 -4.490 1.00 0.00 C ATOM 1145 CD GLU A 79 12.341 8.882 -4.556 1.00 0.00 C ATOM 1146 OE1 GLU A 79 12.933 8.213 -3.663 1.00 0.00 O ATOM 1147 OE2 GLU A 79 12.958 9.477 -5.482 1.00 0.00 O ATOM 0 H GLU A 79 8.542 7.226 -3.248 1.00 0.00 H new ATOM 0 HA GLU A 79 8.190 9.126 -5.365 1.00 0.00 H new ATOM 0 HB2 GLU A 79 10.259 6.939 -4.827 1.00 0.00 H new ATOM 0 HB3 GLU A 79 10.348 7.896 -6.292 1.00 0.00 H new ATOM 0 HG2 GLU A 79 10.512 9.981 -4.887 1.00 0.00 H new ATOM 0 HG3 GLU A 79 10.493 8.987 -3.444 1.00 0.00 H new ATOM 1154 N ALA A 80 6.995 6.219 -6.201 1.00 0.00 N ATOM 1155 CA ALA A 80 6.019 5.507 -7.124 1.00 0.00 C ATOM 1156 C ALA A 80 4.558 6.222 -7.149 1.00 0.00 C ATOM 1157 O ALA A 80 3.867 6.183 -8.211 1.00 0.00 O ATOM 1158 CB ALA A 80 5.930 4.016 -6.729 1.00 0.00 C ATOM 0 H ALA A 80 7.019 5.797 -5.273 1.00 0.00 H new ATOM 0 HA ALA A 80 6.397 5.576 -8.144 1.00 0.00 H new ATOM 0 HB1 ALA A 80 5.230 3.505 -7.391 1.00 0.00 H new ATOM 0 HB2 ALA A 80 6.914 3.557 -6.818 1.00 0.00 H new ATOM 0 HB3 ALA A 80 5.582 3.933 -5.699 1.00 0.00 H new ATOM 1164 N LEU A 81 4.147 6.922 -5.933 1.00 0.00 N ATOM 1165 CA LEU A 81 2.813 7.676 -5.705 1.00 0.00 C ATOM 1166 C LEU A 81 2.804 9.236 -6.033 1.00 0.00 C ATOM 1167 O LEU A 81 1.754 9.763 -6.518 1.00 0.00 O ATOM 1168 CB LEU A 81 2.235 7.379 -4.242 1.00 0.00 C ATOM 1169 CG LEU A 81 1.936 5.885 -3.857 1.00 0.00 C ATOM 1170 CD1 LEU A 81 2.404 5.611 -2.478 1.00 0.00 C ATOM 1171 CD2 LEU A 81 0.467 5.477 -4.039 1.00 0.00 C ATOM 0 H LEU A 81 4.751 6.958 -5.112 1.00 0.00 H new ATOM 0 HA LEU A 81 2.146 7.263 -6.462 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.944 7.776 -3.516 1.00 0.00 H new ATOM 0 HB3 LEU A 81 1.311 7.945 -4.127 1.00 0.00 H new ATOM 0 HG LEU A 81 2.494 5.266 -4.559 1.00 0.00 H new ATOM 0 HD11 LEU A 81 2.192 4.573 -2.221 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.478 5.788 -2.416 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.887 6.270 -1.781 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.341 4.433 -3.753 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.165 6.104 -3.411 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.181 5.604 -5.083 1.00 0.00 H new ATOM 1183 N LYS A 82 4.017 9.941 -5.803 1.00 0.00 N ATOM 1184 CA LYS A 82 4.246 11.465 -5.934 1.00 0.00 C ATOM 1185 C LYS A 82 4.713 11.923 -7.371 1.00 0.00 C ATOM 1186 O LYS A 82 4.287 13.012 -7.862 1.00 0.00 O ATOM 1187 CB LYS A 82 5.231 12.002 -4.804 1.00 0.00 C ATOM 1188 CG LYS A 82 4.564 12.408 -3.454 1.00 0.00 C ATOM 1189 CD LYS A 82 5.557 13.125 -2.530 1.00 0.00 C ATOM 1190 CE LYS A 82 4.895 13.590 -1.230 1.00 0.00 C ATOM 1191 NZ LYS A 82 5.863 14.278 -0.330 1.00 0.00 N ATOM 0 H LYS A 82 4.866 9.452 -5.519 1.00 0.00 H new ATOM 0 HA LYS A 82 3.268 11.922 -5.786 1.00 0.00 H new ATOM 0 HB2 LYS A 82 5.975 11.231 -4.602 1.00 0.00 H new ATOM 0 HB3 LYS A 82 5.766 12.867 -5.197 1.00 0.00 H new ATOM 0 HG2 LYS A 82 3.712 13.059 -3.649 1.00 0.00 H new ATOM 0 HG3 LYS A 82 4.178 11.519 -2.955 1.00 0.00 H new ATOM 0 HD2 LYS A 82 6.384 12.455 -2.296 1.00 0.00 H new ATOM 0 HD3 LYS A 82 5.980 13.985 -3.049 1.00 0.00 H new ATOM 0 HE2 LYS A 82 4.072 14.266 -1.463 1.00 0.00 H new ATOM 0 HE3 LYS A 82 4.466 12.731 -0.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 5.377 14.578 0.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 6.635 13.625 -0.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 6.254 15.112 -0.813 1.00 0.00 H new ATOM 1205 N GLU A 83 5.586 11.011 -8.044 1.00 0.00 N ATOM 1206 CA GLU A 83 6.223 11.156 -9.388 1.00 0.00 C ATOM 1207 C GLU A 83 5.280 10.841 -10.687 1.00 0.00 C ATOM 1208 O GLU A 83 5.575 11.427 -11.777 1.00 0.00 O ATOM 1209 CB GLU A 83 7.433 10.239 -9.218 1.00 0.00 C ATOM 1210 CG GLU A 83 8.546 10.062 -10.257 1.00 0.00 C ATOM 1211 CD GLU A 83 9.597 11.220 -10.439 1.00 0.00 C ATOM 1212 OE1 GLU A 83 9.359 12.124 -11.282 1.00 0.00 O ATOM 1213 OE2 GLU A 83 10.650 11.190 -9.752 1.00 0.00 O ATOM 0 H GLU A 83 5.848 10.128 -7.606 1.00 0.00 H new ATOM 0 HA GLU A 83 6.467 12.188 -9.639 1.00 0.00 H new ATOM 0 HB2 GLU A 83 7.926 10.559 -8.300 1.00 0.00 H new ATOM 0 HB3 GLU A 83 7.032 9.242 -9.034 1.00 0.00 H new ATOM 0 HG2 GLU A 83 9.094 9.154 -10.004 1.00 0.00 H new ATOM 0 HG3 GLU A 83 8.072 9.890 -11.224 1.00 0.00 H new ATOM 1220 N ALA A 84 4.143 9.930 -10.548 1.00 0.00 N ATOM 1221 CA ALA A 84 3.121 9.628 -11.690 1.00 0.00 C ATOM 1222 C ALA A 84 2.181 10.894 -12.078 1.00 0.00 C ATOM 1223 O ALA A 84 1.657 10.994 -13.235 1.00 0.00 O ATOM 1224 CB ALA A 84 2.317 8.384 -11.341 1.00 0.00 C ATOM 0 H ALA A 84 3.942 9.427 -9.684 1.00 0.00 H new ATOM 0 HA ALA A 84 3.691 9.432 -12.598 1.00 0.00 H new ATOM 0 HB1 ALA A 84 1.605 8.175 -12.139 1.00 0.00 H new ATOM 0 HB2 ALA A 84 2.991 7.535 -11.225 1.00 0.00 H new ATOM 0 HB3 ALA A 84 1.778 8.549 -10.408 1.00 0.00 H new ATOM 1230 N GLY A 85 2.056 11.855 -11.032 1.00 0.00 N ATOM 1231 CA GLY A 85 1.475 13.238 -11.108 1.00 0.00 C ATOM 1232 C GLY A 85 -0.026 13.487 -10.980 1.00 0.00 C ATOM 1233 O GLY A 85 -0.423 14.531 -10.399 1.00 0.00 O ATOM 0 H GLY A 85 2.382 11.641 -10.089 1.00 0.00 H new ATOM 0 HA2 GLY A 85 1.960 13.827 -10.330 1.00 0.00 H new ATOM 0 HA3 GLY A 85 1.784 13.658 -12.065 1.00 0.00 H new ATOM 1237 N SER A 86 -0.865 12.494 -11.527 1.00 0.00 N ATOM 1238 CA SER A 86 -2.380 12.579 -11.737 1.00 0.00 C ATOM 1239 C SER A 86 -3.061 11.148 -11.733 1.00 0.00 C ATOM 1240 O SER A 86 -4.208 11.046 -11.272 1.00 0.00 O ATOM 1241 CB SER A 86 -2.672 13.355 -13.122 1.00 0.00 C ATOM 1242 OG SER A 86 -4.051 13.713 -13.326 1.00 0.00 O ATOM 0 H SER A 86 -0.489 11.598 -11.837 1.00 0.00 H new ATOM 0 HA SER A 86 -2.818 13.132 -10.906 1.00 0.00 H new ATOM 0 HB2 SER A 86 -2.066 14.261 -13.151 1.00 0.00 H new ATOM 0 HB3 SER A 86 -2.346 12.727 -13.951 1.00 0.00 H new ATOM 0 HG SER A 86 -4.145 14.179 -14.183 1.00 0.00 H new ATOM 1248 N ILE A 87 -2.314 10.046 -12.287 1.00 0.00 N ATOM 1249 CA ILE A 87 -2.854 8.606 -12.462 1.00 0.00 C ATOM 1250 C ILE A 87 -1.832 7.576 -11.828 1.00 0.00 C ATOM 1251 O ILE A 87 -0.716 7.344 -12.382 1.00 0.00 O ATOM 1252 CB ILE A 87 -3.342 8.241 -14.091 1.00 0.00 C ATOM 1253 CG1 ILE A 87 -4.403 9.328 -14.769 1.00 0.00 C ATOM 1254 CG2 ILE A 87 -3.796 6.728 -14.391 1.00 0.00 C ATOM 1255 CD1 ILE A 87 -5.849 9.593 -14.138 1.00 0.00 C ATOM 0 H ILE A 87 -1.352 10.149 -12.609 1.00 0.00 H new ATOM 0 HA ILE A 87 -3.788 8.514 -11.908 1.00 0.00 H new ATOM 0 HB ILE A 87 -2.387 8.357 -14.603 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -3.892 10.290 -14.803 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -4.561 9.014 -15.801 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -4.075 6.633 -15.440 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -2.971 6.050 -14.172 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -4.650 6.473 -13.764 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -6.376 10.337 -14.736 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -6.419 8.664 -14.131 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -5.739 9.959 -13.117 1.00 0.00 H new ATOM 1267 N VAL A 88 -2.308 6.967 -10.660 1.00 0.00 N ATOM 1268 CA VAL A 88 -1.560 5.942 -9.808 1.00 0.00 C ATOM 1269 C VAL A 88 -2.319 4.532 -9.686 1.00 0.00 C ATOM 1270 O VAL A 88 -3.508 4.486 -9.278 1.00 0.00 O ATOM 1271 CB VAL A 88 -1.063 6.602 -8.403 1.00 0.00 C ATOM 1272 CG1 VAL A 88 0.356 7.051 -8.371 1.00 0.00 C ATOM 1273 CG2 VAL A 88 -1.919 6.836 -7.112 1.00 0.00 C ATOM 0 H VAL A 88 -3.232 7.180 -10.285 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.647 5.668 -10.337 1.00 0.00 H new ATOM 0 HB VAL A 88 -2.046 6.158 -8.245 1.00 0.00 H new ATOM 0 HG11 VAL A 88 0.582 7.474 -7.392 1.00 0.00 H new ATOM 0 HG12 VAL A 88 1.011 6.200 -8.559 1.00 0.00 H new ATOM 0 HG13 VAL A 88 0.515 7.808 -9.139 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -1.299 7.296 -6.343 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -2.756 7.494 -7.345 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -2.298 5.881 -6.749 1.00 0.00 H new ATOM 1283 N ARG A 89 -1.552 3.413 -10.045 1.00 0.00 N ATOM 1284 CA ARG A 89 -2.049 1.934 -10.096 1.00 0.00 C ATOM 1285 C ARG A 89 -1.372 0.956 -9.019 1.00 0.00 C ATOM 1286 O ARG A 89 -0.197 0.552 -9.172 1.00 0.00 O ATOM 1287 CB ARG A 89 -2.161 1.310 -11.629 1.00 0.00 C ATOM 1288 CG ARG A 89 -0.920 1.305 -12.562 1.00 0.00 C ATOM 1289 CD ARG A 89 -1.325 0.686 -13.858 1.00 0.00 C ATOM 1290 NE ARG A 89 -0.179 0.575 -14.855 1.00 0.00 N ATOM 1291 CZ ARG A 89 -0.163 0.025 -16.168 1.00 0.00 C ATOM 1292 NH1 ARG A 89 -1.255 -0.533 -16.786 1.00 0.00 N ATOM 1293 NH2 ARG A 89 0.979 0.052 -16.842 1.00 0.00 N ATOM 0 H ARG A 89 -0.571 3.500 -10.309 1.00 0.00 H new ATOM 0 HA ARG A 89 -3.083 1.993 -9.757 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -2.498 0.278 -11.534 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -2.951 1.857 -12.144 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -0.558 2.321 -12.721 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -0.104 0.742 -12.109 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -1.730 -0.308 -13.668 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -2.127 1.277 -14.301 1.00 0.00 H new ATOM 0 HE ARG A 89 0.712 0.952 -14.533 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -2.151 -0.572 -16.301 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -1.170 -0.909 -17.731 1.00 0.00 H new ATOM 0 HH21 ARG A 89 1.812 0.459 -16.417 1.00 0.00 H new ATOM 0 HH22 ARG A 89 1.024 -0.334 -17.785 1.00 0.00 H new ATOM 1307 N LEU A 90 -2.203 0.586 -7.938 1.00 0.00 N ATOM 1308 CA LEU A 90 -1.829 -0.302 -6.746 1.00 0.00 C ATOM 1309 C LEU A 90 -2.349 -1.809 -6.857 1.00 0.00 C ATOM 1310 O LEU A 90 -3.507 -2.061 -7.327 1.00 0.00 O ATOM 1311 CB LEU A 90 -2.203 0.425 -5.304 1.00 0.00 C ATOM 1312 CG LEU A 90 -3.670 0.923 -4.940 1.00 0.00 C ATOM 1313 CD1 LEU A 90 -4.559 -0.188 -4.356 1.00 0.00 C ATOM 1314 CD2 LEU A 90 -3.558 2.081 -3.992 1.00 0.00 C ATOM 0 H LEU A 90 -3.169 0.909 -7.881 1.00 0.00 H new ATOM 0 HA LEU A 90 -0.744 -0.404 -6.777 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -1.910 -0.273 -4.520 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -1.551 1.294 -5.217 1.00 0.00 H new ATOM 0 HG LEU A 90 -4.163 1.233 -5.861 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -5.545 0.217 -4.129 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -4.656 -0.995 -5.082 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -4.106 -0.574 -3.443 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -4.555 2.436 -3.731 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -3.039 1.762 -3.088 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -2.999 2.887 -4.467 1.00 0.00 H new ATOM 1326 N TYR A 91 -1.433 -2.784 -6.394 1.00 0.00 N ATOM 1327 CA TYR A 91 -1.652 -4.281 -6.355 1.00 0.00 C ATOM 1328 C TYR A 91 -1.526 -4.831 -4.891 1.00 0.00 C ATOM 1329 O TYR A 91 -0.372 -4.891 -4.299 1.00 0.00 O ATOM 1330 CB TYR A 91 -0.679 -5.056 -7.421 1.00 0.00 C ATOM 1331 CG TYR A 91 -0.990 -6.569 -7.813 1.00 0.00 C ATOM 1332 CD1 TYR A 91 -2.243 -6.986 -8.302 1.00 0.00 C ATOM 1333 CD2 TYR A 91 -0.014 -7.529 -7.660 1.00 0.00 C ATOM 1334 CE1 TYR A 91 -2.501 -8.269 -8.610 1.00 0.00 C ATOM 1335 CE2 TYR A 91 -0.250 -8.843 -7.978 1.00 0.00 C ATOM 1336 CZ TYR A 91 -1.499 -9.220 -8.454 1.00 0.00 C ATOM 1337 OH TYR A 91 -1.737 -10.535 -8.789 1.00 0.00 O ATOM 0 H TYR A 91 -0.514 -2.522 -6.037 1.00 0.00 H new ATOM 0 HA TYR A 91 -2.673 -4.487 -6.675 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -0.676 -4.474 -8.343 1.00 0.00 H new ATOM 0 HB3 TYR A 91 0.334 -5.024 -7.021 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -3.023 -6.251 -8.434 1.00 0.00 H new ATOM 0 HD2 TYR A 91 0.956 -7.242 -7.282 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -3.476 -8.558 -8.975 1.00 0.00 H new ATOM 0 HE2 TYR A 91 0.531 -9.579 -7.859 1.00 0.00 H new ATOM 0 HH TYR A 91 -0.931 -11.067 -8.620 1.00 0.00 H new ATOM 1347 N VAL A 92 -2.755 -5.274 -4.378 1.00 0.00 N ATOM 1348 CA VAL A 92 -3.024 -5.781 -2.917 1.00 0.00 C ATOM 1349 C VAL A 92 -3.242 -7.414 -2.756 1.00 0.00 C ATOM 1350 O VAL A 92 -3.631 -8.119 -3.747 1.00 0.00 O ATOM 1351 CB VAL A 92 -4.235 -4.902 -2.136 1.00 0.00 C ATOM 1352 CG1 VAL A 92 -3.912 -3.405 -1.996 1.00 0.00 C ATOM 1353 CG2 VAL A 92 -5.661 -5.097 -2.753 1.00 0.00 C ATOM 0 H VAL A 92 -3.597 -5.295 -4.954 1.00 0.00 H new ATOM 0 HA VAL A 92 -2.084 -5.583 -2.403 1.00 0.00 H new ATOM 0 HB VAL A 92 -4.257 -5.331 -1.134 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -4.733 -2.902 -1.485 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -2.996 -3.283 -1.418 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -3.778 -2.968 -2.985 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -6.383 -4.500 -2.196 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -5.653 -4.778 -3.795 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -5.941 -6.149 -2.698 1.00 0.00 H new ATOM 1363 N MET A 93 -3.063 -7.894 -1.427 1.00 0.00 N ATOM 1364 CA MET A 93 -3.109 -9.384 -0.934 1.00 0.00 C ATOM 1365 C MET A 93 -4.235 -9.673 0.183 1.00 0.00 C ATOM 1366 O MET A 93 -4.235 -9.041 1.283 1.00 0.00 O ATOM 1367 CB MET A 93 -1.615 -9.995 -0.527 1.00 0.00 C ATOM 1368 CG MET A 93 -0.747 -9.284 0.642 1.00 0.00 C ATOM 1369 SD MET A 93 0.732 -10.222 1.238 1.00 0.00 S ATOM 1370 CE MET A 93 2.018 -9.963 -0.020 1.00 0.00 C ATOM 0 H MET A 93 -2.880 -7.250 -0.658 1.00 0.00 H new ATOM 0 HA MET A 93 -3.430 -9.949 -1.809 1.00 0.00 H new ATOM 0 HB2 MET A 93 -1.757 -11.037 -0.239 1.00 0.00 H new ATOM 0 HB3 MET A 93 -1.006 -9.994 -1.431 1.00 0.00 H new ATOM 0 HG2 MET A 93 -0.414 -8.312 0.279 1.00 0.00 H new ATOM 0 HG3 MET A 93 -1.403 -9.099 1.493 1.00 0.00 H new ATOM 0 HE1 MET A 93 2.900 -10.550 0.235 1.00 0.00 H new ATOM 0 HE2 MET A 93 1.643 -10.277 -0.994 1.00 0.00 H new ATOM 0 HE3 MET A 93 2.284 -8.906 -0.057 1.00 0.00 H new ATOM 1380 N ARG A 94 -5.176 -10.668 -0.161 1.00 0.00 N ATOM 1381 CA ARG A 94 -6.329 -11.209 0.701 1.00 0.00 C ATOM 1382 C ARG A 94 -6.221 -12.784 0.855 1.00 0.00 C ATOM 1383 O ARG A 94 -5.773 -13.505 -0.094 1.00 0.00 O ATOM 1384 CB ARG A 94 -7.802 -10.781 0.158 1.00 0.00 C ATOM 1385 CG ARG A 94 -8.236 -9.316 0.393 1.00 0.00 C ATOM 1386 CD ARG A 94 -9.661 -9.077 -0.113 1.00 0.00 C ATOM 1387 NE ARG A 94 -10.141 -7.659 0.149 1.00 0.00 N ATOM 1388 CZ ARG A 94 -11.409 -7.066 -0.105 1.00 0.00 C ATOM 1389 NH1 ARG A 94 -12.476 -7.729 -0.657 1.00 0.00 N ATOM 1390 NH2 ARG A 94 -11.575 -5.789 0.216 1.00 0.00 N ATOM 0 H ARG A 94 -5.145 -11.123 -1.073 1.00 0.00 H new ATOM 0 HA ARG A 94 -6.222 -10.744 1.681 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -7.839 -10.978 -0.913 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -8.539 -11.433 0.627 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -8.180 -9.083 1.456 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -7.547 -8.643 -0.118 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -9.702 -9.279 -1.183 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -10.338 -9.781 0.370 1.00 0.00 H new ATOM 0 HE ARG A 94 -9.450 -7.039 0.571 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -12.388 -8.712 -0.914 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -13.357 -7.239 -0.811 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -10.806 -5.263 0.632 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -12.472 -5.333 0.047 1.00 0.00 H new ATOM 1404 N ARG A 95 -6.627 -13.288 2.104 1.00 0.00 N ATOM 1405 CA ARG A 95 -6.652 -14.772 2.549 1.00 0.00 C ATOM 1406 C ARG A 95 -7.964 -15.569 2.134 1.00 0.00 C ATOM 1407 O ARG A 95 -9.103 -15.009 2.147 1.00 0.00 O ATOM 1408 CB ARG A 95 -6.313 -14.955 4.100 1.00 0.00 C ATOM 1409 CG ARG A 95 -4.816 -14.929 4.456 1.00 0.00 C ATOM 1410 CD ARG A 95 -4.600 -15.213 5.939 1.00 0.00 C ATOM 1411 NE ARG A 95 -3.129 -15.185 6.330 1.00 0.00 N ATOM 1412 CZ ARG A 95 -2.521 -15.393 7.599 1.00 0.00 C ATOM 1413 NH1 ARG A 95 -3.212 -15.677 8.751 1.00 0.00 N ATOM 1414 NH2 ARG A 95 -1.198 -15.308 7.679 1.00 0.00 N ATOM 0 H ARG A 95 -6.952 -12.665 2.844 1.00 0.00 H new ATOM 0 HA ARG A 95 -5.846 -15.234 1.979 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -6.816 -14.167 4.660 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -6.733 -15.903 4.437 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -4.284 -15.670 3.859 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -4.396 -13.955 4.204 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -5.144 -14.476 6.530 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -5.019 -16.189 6.183 1.00 0.00 H new ATOM 0 HE ARG A 95 -2.482 -14.987 5.567 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -4.229 -15.751 8.731 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -2.708 -15.814 9.627 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -0.649 -15.099 6.845 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -0.731 -15.452 8.574 1.00 0.00 H new ATOM 1428 N LYS A 96 -7.724 -16.912 1.747 1.00 0.00 N ATOM 1429 CA LYS A 96 -8.746 -17.994 1.256 1.00 0.00 C ATOM 1430 C LYS A 96 -10.035 -18.340 2.267 1.00 0.00 C ATOM 1431 O LYS A 96 -9.770 -18.590 3.479 1.00 0.00 O ATOM 1432 CB LYS A 96 -8.015 -19.338 0.685 1.00 0.00 C ATOM 1433 CG LYS A 96 -6.920 -20.056 1.590 1.00 0.00 C ATOM 1434 CD LYS A 96 -6.464 -21.400 1.032 1.00 0.00 C ATOM 1435 CE LYS A 96 -5.452 -22.070 1.970 1.00 0.00 C ATOM 1436 NZ LYS A 96 -5.028 -23.407 1.478 1.00 0.00 N ATOM 0 H LYS A 96 -6.777 -17.289 1.768 1.00 0.00 H new ATOM 0 HA LYS A 96 -9.233 -17.493 0.419 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -8.793 -20.069 0.465 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -7.543 -19.080 -0.263 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -6.055 -19.400 1.691 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -7.326 -20.205 2.591 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -7.326 -22.053 0.896 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -6.015 -21.256 0.049 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -4.577 -21.429 2.074 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -5.892 -22.173 2.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -4.194 -23.725 2.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -5.803 -24.087 1.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -4.789 -23.345 0.468 1.00 0.00 H new ATOM 1450 N PRO A 97 -11.497 -18.327 1.751 1.00 0.00 N ATOM 1451 CA PRO A 97 -12.740 -18.648 2.639 1.00 0.00 C ATOM 1452 C PRO A 97 -12.927 -20.234 3.142 1.00 0.00 C ATOM 1453 O PRO A 97 -12.446 -21.143 2.399 1.00 0.00 O ATOM 1454 CB PRO A 97 -13.959 -18.193 1.746 1.00 0.00 C ATOM 1455 CG PRO A 97 -13.378 -17.348 0.644 1.00 0.00 C ATOM 1456 CD PRO A 97 -12.025 -17.938 0.344 1.00 0.00 C ATOM 0 HA PRO A 97 -12.640 -18.130 3.593 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -14.487 -19.055 1.339 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -14.681 -17.625 2.333 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -14.016 -17.365 -0.239 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -13.290 -16.307 0.954 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -12.099 -18.804 -0.314 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -11.371 -17.219 -0.148 1.00 0.00 H new ATOM 1464 N PRO A 98 -13.633 -20.590 4.480 1.00 0.00 N ATOM 1465 CA PRO A 98 -13.877 -22.054 4.979 1.00 0.00 C ATOM 1466 C PRO A 98 -14.950 -22.946 4.138 1.00 0.00 C ATOM 1467 O PRO A 98 -16.018 -22.412 3.684 1.00 0.00 O ATOM 1468 CB PRO A 98 -14.329 -21.858 6.484 1.00 0.00 C ATOM 1469 CG PRO A 98 -13.955 -20.444 6.851 1.00 0.00 C ATOM 1470 CD PRO A 98 -14.134 -19.630 5.595 1.00 0.00 C ATOM 0 HA PRO A 98 -12.969 -22.643 4.846 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -15.402 -22.018 6.593 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -13.831 -22.575 7.137 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -14.589 -20.068 7.654 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -12.926 -20.392 7.207 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -15.175 -19.345 5.444 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -13.552 -18.709 5.625 1.00 0.00 H new ATOM 1478 N ALA A 99 -14.572 -24.312 3.933 1.00 0.00 N ATOM 1479 CA ALA A 99 -15.377 -25.377 3.191 1.00 0.00 C ATOM 1480 C ALA A 99 -15.977 -26.482 4.159 1.00 0.00 C ATOM 1481 O ALA A 99 -17.219 -26.499 4.311 1.00 0.00 O ATOM 1482 CB ALA A 99 -14.567 -25.984 1.982 1.00 0.00 C ATOM 1483 OXT ALA A 99 -15.196 -27.266 4.803 1.00 0.00 O ATOM 0 H ALA A 99 -13.690 -24.679 4.291 1.00 0.00 H new ATOM 0 HA ALA A 99 -16.243 -24.875 2.761 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -15.173 -26.738 1.480 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -14.316 -25.191 1.277 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -13.650 -26.443 2.352 1.00 0.00 H new TER 1489 ALA A 99 ATOM 1490 N VAL B 1 7.604 -3.123 21.619 1.00 0.00 N ATOM 1491 CA VAL B 1 8.294 -2.909 20.269 1.00 0.00 C ATOM 1492 C VAL B 1 7.357 -2.347 19.165 1.00 0.00 C ATOM 1493 O VAL B 1 6.622 -3.111 18.452 1.00 0.00 O ATOM 1494 CB VAL B 1 9.367 -4.094 19.750 1.00 0.00 C ATOM 1495 CG1 VAL B 1 10.660 -4.131 20.585 1.00 0.00 C ATOM 1496 CG2 VAL B 1 8.773 -5.556 19.633 1.00 0.00 C ATOM 0 H1 VAL B 1 8.290 -3.499 22.304 1.00 0.00 H new ATOM 0 H2 VAL B 1 7.230 -2.216 21.965 1.00 0.00 H new ATOM 0 H3 VAL B 1 6.822 -3.799 21.506 1.00 0.00 H new ATOM 0 HA VAL B 1 8.989 -2.101 20.500 1.00 0.00 H new ATOM 0 HB VAL B 1 9.595 -3.776 18.733 1.00 0.00 H new ATOM 0 HG11 VAL B 1 11.316 -4.915 20.206 1.00 0.00 H new ATOM 0 HG12 VAL B 1 11.166 -3.168 20.515 1.00 0.00 H new ATOM 0 HG13 VAL B 1 10.414 -4.336 21.627 1.00 0.00 H new ATOM 0 HG21 VAL B 1 9.551 -6.238 19.290 1.00 0.00 H new ATOM 0 HG22 VAL B 1 8.410 -5.880 20.608 1.00 0.00 H new ATOM 0 HG23 VAL B 1 7.949 -5.558 18.920 1.00 0.00 H new ATOM 1508 N VAL B 2 7.317 -0.948 19.160 1.00 0.00 N ATOM 1509 CA VAL B 2 6.737 -0.082 18.091 1.00 0.00 C ATOM 1510 C VAL B 2 7.695 1.176 17.835 1.00 0.00 C ATOM 1511 O VAL B 2 7.605 2.246 18.508 1.00 0.00 O ATOM 1512 CB VAL B 2 5.061 0.158 18.150 1.00 0.00 C ATOM 1513 CG1 VAL B 2 4.458 1.102 19.245 1.00 0.00 C ATOM 1514 CG2 VAL B 2 4.424 0.340 16.747 1.00 0.00 C ATOM 0 H VAL B 2 7.703 -0.401 19.930 1.00 0.00 H new ATOM 0 HA VAL B 2 6.741 -0.634 17.151 1.00 0.00 H new ATOM 0 HB VAL B 2 4.739 -0.804 18.549 1.00 0.00 H new ATOM 0 HG11 VAL B 2 3.374 1.140 19.136 1.00 0.00 H new ATOM 0 HG12 VAL B 2 4.710 0.720 20.234 1.00 0.00 H new ATOM 0 HG13 VAL B 2 4.870 2.105 19.128 1.00 0.00 H new ATOM 0 HG21 VAL B 2 3.349 0.490 16.852 1.00 0.00 H new ATOM 0 HG22 VAL B 2 4.865 1.208 16.257 1.00 0.00 H new ATOM 0 HG23 VAL B 2 4.609 -0.550 16.145 1.00 0.00 H new ATOM 1524 N SER B 3 8.649 0.906 16.857 1.00 0.00 N ATOM 1525 CA SER B 3 9.760 1.851 16.307 1.00 0.00 C ATOM 1526 C SER B 3 9.285 2.702 14.984 1.00 0.00 C ATOM 1527 O SER B 3 10.090 3.048 14.051 1.00 0.00 O ATOM 1528 CB SER B 3 11.083 1.001 16.105 1.00 0.00 C ATOM 1529 OG SER B 3 11.613 0.522 17.341 1.00 0.00 O ATOM 0 H SER B 3 8.681 -0.006 16.402 1.00 0.00 H new ATOM 0 HA SER B 3 9.970 2.635 17.035 1.00 0.00 H new ATOM 0 HB2 SER B 3 10.872 0.155 15.450 1.00 0.00 H new ATOM 0 HB3 SER B 3 11.833 1.613 15.604 1.00 0.00 H new ATOM 0 HG SER B 3 12.426 0.003 17.169 1.00 0.00 H new ATOM 1535 N GLU B 4 7.950 3.204 15.094 1.00 0.00 N ATOM 1536 CA GLU B 4 7.081 3.855 14.031 1.00 0.00 C ATOM 1537 C GLU B 4 7.246 5.458 13.943 1.00 0.00 C ATOM 1538 O GLU B 4 7.377 6.179 14.989 1.00 0.00 O ATOM 1539 CB GLU B 4 5.564 3.452 14.368 1.00 0.00 C ATOM 1540 CG GLU B 4 4.580 3.176 13.205 1.00 0.00 C ATOM 1541 CD GLU B 4 3.118 2.898 13.681 1.00 0.00 C ATOM 1542 OE1 GLU B 4 2.327 3.865 13.821 1.00 0.00 O ATOM 1543 OE2 GLU B 4 2.768 1.712 13.905 1.00 0.00 O ATOM 0 H GLU B 4 7.454 3.148 15.984 1.00 0.00 H new ATOM 0 HA GLU B 4 7.392 3.495 13.050 1.00 0.00 H new ATOM 0 HB2 GLU B 4 5.593 2.559 14.992 1.00 0.00 H new ATOM 0 HB3 GLU B 4 5.139 4.252 14.975 1.00 0.00 H new ATOM 0 HG2 GLU B 4 4.578 4.032 12.530 1.00 0.00 H new ATOM 0 HG3 GLU B 4 4.937 2.320 12.633 1.00 0.00 H new ATOM 1550 N ARG B 5 7.283 5.928 12.622 1.00 0.00 N ATOM 1551 CA ARG B 5 7.170 7.379 12.144 1.00 0.00 C ATOM 1552 C ARG B 5 5.823 7.620 11.291 1.00 0.00 C ATOM 1553 O ARG B 5 5.174 8.681 11.435 1.00 0.00 O ATOM 1554 CB ARG B 5 8.546 7.997 11.486 1.00 0.00 C ATOM 1555 CG ARG B 5 9.244 7.268 10.239 1.00 0.00 C ATOM 1556 CD ARG B 5 10.614 7.903 9.826 1.00 0.00 C ATOM 1557 NE ARG B 5 10.521 9.287 9.139 1.00 0.00 N ATOM 1558 CZ ARG B 5 11.558 10.186 8.776 1.00 0.00 C ATOM 1559 NH1 ARG B 5 12.893 9.954 8.996 1.00 0.00 N ATOM 1560 NH2 ARG B 5 11.220 11.325 8.187 1.00 0.00 N ATOM 0 H ARG B 5 7.396 5.283 11.840 1.00 0.00 H new ATOM 0 HA ARG B 5 7.062 7.992 13.039 1.00 0.00 H new ATOM 0 HB2 ARG B 5 8.327 9.020 11.180 1.00 0.00 H new ATOM 0 HB3 ARG B 5 9.287 8.054 12.283 1.00 0.00 H new ATOM 0 HG2 ARG B 5 9.400 6.217 10.484 1.00 0.00 H new ATOM 0 HG3 ARG B 5 8.567 7.299 9.385 1.00 0.00 H new ATOM 0 HD2 ARG B 5 11.235 7.999 10.717 1.00 0.00 H new ATOM 0 HD3 ARG B 5 11.126 7.215 9.153 1.00 0.00 H new ATOM 0 HE ARG B 5 9.576 9.599 8.914 1.00 0.00 H new ATOM 0 HH11 ARG B 5 13.193 9.090 9.447 1.00 0.00 H new ATOM 0 HH12 ARG B 5 13.585 10.646 8.708 1.00 0.00 H new ATOM 0 HH21 ARG B 5 10.238 11.534 8.007 1.00 0.00 H new ATOM 0 HH22 ARG B 5 11.942 11.992 7.914 1.00 0.00 H new ATOM 1574 N ILE B 6 5.425 6.522 10.418 1.00 0.00 N ATOM 1575 CA ILE B 6 4.137 6.325 9.538 1.00 0.00 C ATOM 1576 C ILE B 6 3.808 7.384 8.397 1.00 0.00 C ATOM 1577 O ILE B 6 3.717 6.964 7.236 1.00 0.00 O ATOM 1578 CB ILE B 6 2.766 5.575 10.328 1.00 0.00 C ATOM 1579 CG1 ILE B 6 1.431 5.139 9.443 1.00 0.00 C ATOM 1580 CG2 ILE B 6 2.234 6.377 11.548 1.00 0.00 C ATOM 1581 CD1 ILE B 6 1.570 4.269 8.195 1.00 0.00 C ATOM 0 H ILE B 6 6.043 5.716 10.318 1.00 0.00 H new ATOM 0 HA ILE B 6 4.511 5.530 8.894 1.00 0.00 H new ATOM 0 HB ILE B 6 3.263 4.644 10.600 1.00 0.00 H new ATOM 0 HG12 ILE B 6 0.753 4.621 10.121 1.00 0.00 H new ATOM 0 HG13 ILE B 6 0.934 6.060 9.138 1.00 0.00 H new ATOM 0 HG21 ILE B 6 1.385 5.852 11.986 1.00 0.00 H new ATOM 0 HG22 ILE B 6 3.024 6.474 12.292 1.00 0.00 H new ATOM 0 HG23 ILE B 6 1.919 7.368 11.222 1.00 0.00 H new ATOM 0 HD11 ILE B 6 0.585 4.096 7.760 1.00 0.00 H new ATOM 0 HD12 ILE B 6 2.204 4.775 7.467 1.00 0.00 H new ATOM 0 HD13 ILE B 6 2.020 3.314 8.466 1.00 0.00 H new ATOM 1593 N SER B 7 3.651 8.744 8.795 1.00 0.00 N ATOM 1594 CA SER B 7 3.168 9.986 7.922 1.00 0.00 C ATOM 1595 C SER B 7 3.713 10.086 6.390 1.00 0.00 C ATOM 1596 O SER B 7 4.781 10.712 6.060 1.00 0.00 O ATOM 1597 CB SER B 7 3.270 11.344 8.724 1.00 0.00 C ATOM 1598 OG SER B 7 2.404 11.359 9.855 1.00 0.00 O ATOM 0 H SER B 7 3.858 9.028 9.753 1.00 0.00 H new ATOM 0 HA SER B 7 2.113 9.774 7.749 1.00 0.00 H new ATOM 0 HB2 SER B 7 4.298 11.496 9.052 1.00 0.00 H new ATOM 0 HB3 SER B 7 3.020 12.175 8.064 1.00 0.00 H new ATOM 0 HG SER B 7 2.496 12.213 10.326 1.00 0.00 H new ATOM 1604 N SER B 8 2.934 9.285 5.512 1.00 0.00 N ATOM 1605 CA SER B 8 3.157 8.997 4.019 1.00 0.00 C ATOM 1606 C SER B 8 1.780 9.206 3.162 1.00 0.00 C ATOM 1607 O SER B 8 0.841 9.908 3.654 1.00 0.00 O ATOM 1608 CB SER B 8 3.797 7.517 3.840 1.00 0.00 C ATOM 1609 OG SER B 8 5.077 7.398 4.463 1.00 0.00 O ATOM 0 H SER B 8 2.100 8.808 5.855 1.00 0.00 H new ATOM 0 HA SER B 8 3.870 9.715 3.614 1.00 0.00 H new ATOM 0 HB2 SER B 8 3.119 6.777 4.265 1.00 0.00 H new ATOM 0 HB3 SER B 8 3.890 7.291 2.778 1.00 0.00 H new ATOM 0 HG SER B 8 4.960 7.229 5.421 1.00 0.00 H new ATOM 1615 N VAL B 9 1.703 8.604 1.851 1.00 0.00 N ATOM 1616 CA VAL B 9 0.549 8.740 0.841 1.00 0.00 C ATOM 1617 C VAL B 9 -0.164 7.314 0.689 1.00 0.00 C ATOM 1618 O VAL B 9 0.384 6.404 0.045 1.00 0.00 O ATOM 1619 CB VAL B 9 1.014 9.432 -0.677 1.00 0.00 C ATOM 1620 CG1 VAL B 9 -0.166 9.996 -1.492 1.00 0.00 C ATOM 1621 CG2 VAL B 9 2.069 10.584 -0.587 1.00 0.00 C ATOM 1622 OXT VAL B 9 -1.262 7.198 1.183 1.00 0.00 O ATOM 0 H VAL B 9 2.456 8.016 1.493 1.00 0.00 H new ATOM 0 HA VAL B 9 -0.166 9.463 1.235 1.00 0.00 H new ATOM 0 HB VAL B 9 1.456 8.569 -1.175 1.00 0.00 H new ATOM 0 HG11 VAL B 9 0.205 10.412 -2.429 1.00 0.00 H new ATOM 0 HG12 VAL B 9 -0.876 9.197 -1.705 1.00 0.00 H new ATOM 0 HG13 VAL B 9 -0.663 10.779 -0.919 1.00 0.00 H new ATOM 0 HG21 VAL B 9 2.294 10.950 -1.589 1.00 0.00 H new ATOM 0 HG22 VAL B 9 1.668 11.399 0.016 1.00 0.00 H new ATOM 0 HG23 VAL B 9 2.981 10.207 -0.125 1.00 0.00 H new TER 1632 VAL B 9