USER MOD reduce.3.24.130724 H: found=0, std=0, add=675, rem=0, adj=43 USER MOD reduce.3.24.130724 removed 674 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 91 THR OG1 : rot -138:sc= 0.398 USER MOD Set 1.2: A 93 THR OG1 : rot 180:sc= 0.15 USER MOD Set 2.1: A 92 HIS : no HD1:sc= -5.09! C(o=-6.9!,f=-8.1!) USER MOD Set 2.2: A 98 ASN :FLIP amide:sc= -1.8! C(o=-10!,f=-6.9!) USER MOD Set 3.1: A 81 ASN : amide:sc= -16.5! C(o=-26!,f=-29!) USER MOD Set 3.2: A 83 ASN :FLIP amide:sc= -8.27! C(o=-38!,f=-26!) USER MOD Set 3.3: A 85 GLN : amide:sc= -1.26! K(o=-26!,f=-28) USER MOD Set 4.1: A 27 HIS : no HE2:sc= -13.1! C(o=-16!,f=-24!) USER MOD Set 4.2: A 57 TYR OH : rot -132:sc= -2.82! USER MOD Set 5.1: A 41 LYS NZ :NH3+ -124:sc= 0.629 (180deg=0) USER MOD Set 5.2: A 43 ASN :FLIP amide:sc= -0.68 F(o=-6.2!,f=-0.051) USER MOD Set 6.1: A 6 CYS SG : rot -29:sc= -21.6! USER MOD Set 6.2: A 9 ASN :FLIP amide:sc= -23.2! C(o=-94!,f=-92!) USER MOD Set 6.3: A 11 TYR OH : rot 34:sc= -8.03! USER MOD Set 6.4: A 63 SER OG : rot 180:sc= 0 USER MOD Set 6.5: A 103 CYS SG : rot 176:sc= -39.1! USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot -65:sc= 1.34 USER MOD Single : A 8 SER OG : rot 65:sc= 1.23 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0.0787 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -14.6! C(o=-15!,f=-23!) USER MOD Single : A 24 TYR OH : rot -81:sc= -1.89! USER MOD Single : A 25 LYS NZ :NH3+ -171:sc= 0.0252 (180deg=0.0166) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot -7:sc= 0.943 USER MOD Single : A 36 ASN : amide:sc= -2.9! C(o=-2.9!,f=-4.7!) USER MOD Single : A 37 SER OG : rot 66:sc= 1.15 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 HIS : +bothHN:sc= -8.01! C(o=-8!,f=-11!) USER MOD Single : A 42 TYR OH : rot 25:sc= -1.8! USER MOD Single : A 44 ASN :FLIP amide:sc= -0.16 F(o=-1,f=-0.16) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot -34:sc= 1 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 180:sc= -1.54! USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 55:sc= 1.15 USER MOD Single : A 84 ASN :FLIP amide:sc= -7.58! C(o=-14!,f=-7.6!) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 ASN :FLIP amide:sc= -15.3! C(o=-21!,f=-15!) USER MOD Single : A 104 THR OG1 : rot -80:sc= 0.941 USER MOD ----------------------------------------------------------------- ATOM 11 N CYS A 2 -6.167 -14.517 -5.521 1.00 0.00 N ATOM 12 CA CYS A 2 -4.941 -13.759 -5.343 1.00 0.00 C ATOM 13 C CYS A 2 -4.498 -13.233 -6.710 1.00 0.00 C ATOM 14 O CYS A 2 -4.431 -13.989 -7.678 1.00 0.00 O ATOM 15 CB CYS A 2 -3.849 -14.597 -4.674 1.00 0.00 C ATOM 16 SG CYS A 2 -4.274 -16.361 -4.437 1.00 0.00 S ATOM 0 HA CYS A 2 -5.125 -12.919 -4.673 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -2.942 -14.534 -5.275 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -3.618 -14.159 -3.703 1.00 0.00 H new ATOM 21 N ASP A 3 -4.207 -11.940 -6.745 1.00 0.00 N ATOM 22 CA ASP A 3 -3.773 -11.305 -7.978 1.00 0.00 C ATOM 23 C ASP A 3 -2.518 -10.472 -7.703 1.00 0.00 C ATOM 24 O ASP A 3 -1.901 -9.951 -8.629 1.00 0.00 O ATOM 25 CB ASP A 3 -4.852 -10.367 -8.523 1.00 0.00 C ATOM 26 CG ASP A 3 -5.766 -10.981 -9.586 1.00 0.00 C ATOM 27 OD1 ASP A 3 -6.798 -11.557 -9.182 1.00 0.00 O ATOM 28 OD2 ASP A 3 -5.409 -10.862 -10.778 1.00 0.00 O ATOM 0 H ASP A 3 -4.263 -11.316 -5.940 1.00 0.00 H new ATOM 0 HA ASP A 3 -3.573 -12.088 -8.709 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -5.467 -10.023 -7.691 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -4.367 -9.487 -8.946 1.00 0.00 H new ATOM 33 N TYR A 4 -2.181 -10.375 -6.426 1.00 0.00 N ATOM 34 CA TYR A 4 -1.011 -9.616 -6.017 1.00 0.00 C ATOM 35 C TYR A 4 -0.175 -10.400 -5.003 1.00 0.00 C ATOM 36 O TYR A 4 -0.222 -10.120 -3.807 1.00 0.00 O ATOM 37 CB TYR A 4 -1.544 -8.348 -5.348 1.00 0.00 C ATOM 38 CG TYR A 4 -2.287 -7.407 -6.300 1.00 0.00 C ATOM 39 CD1 TYR A 4 -1.585 -6.677 -7.236 1.00 0.00 C ATOM 40 CD2 TYR A 4 -3.661 -7.291 -6.222 1.00 0.00 C ATOM 41 CE1 TYR A 4 -2.283 -5.792 -8.133 1.00 0.00 C ATOM 42 CE2 TYR A 4 -4.359 -6.406 -7.117 1.00 0.00 C ATOM 43 CZ TYR A 4 -3.637 -5.700 -8.029 1.00 0.00 C ATOM 44 OH TYR A 4 -4.297 -4.865 -8.874 1.00 0.00 O ATOM 0 H TYR A 4 -2.697 -10.809 -5.661 1.00 0.00 H new ATOM 0 HA TYR A 4 -0.374 -9.401 -6.875 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -2.215 -8.632 -4.537 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -0.710 -7.809 -4.898 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -0.511 -6.769 -7.297 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -4.211 -7.864 -5.490 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -1.745 -5.215 -8.871 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -5.433 -6.304 -7.066 1.00 0.00 H new ATOM 0 HH TYR A 4 -5.258 -4.902 -8.686 1.00 0.00 H new ATOM 54 N THR A 5 0.570 -11.365 -5.519 1.00 0.00 N ATOM 55 CA THR A 5 1.416 -12.192 -4.674 1.00 0.00 C ATOM 56 C THR A 5 2.789 -11.540 -4.493 1.00 0.00 C ATOM 57 O THR A 5 3.616 -11.566 -5.403 1.00 0.00 O ATOM 58 CB THR A 5 1.483 -13.589 -5.293 1.00 0.00 C ATOM 59 OG1 THR A 5 0.362 -14.270 -4.737 1.00 0.00 O ATOM 60 CG2 THR A 5 2.689 -14.391 -4.800 1.00 0.00 C ATOM 0 H THR A 5 0.606 -11.594 -6.512 1.00 0.00 H new ATOM 0 HA THR A 5 1.001 -12.286 -3.671 1.00 0.00 H new ATOM 0 HB THR A 5 1.524 -13.503 -6.379 1.00 0.00 H new ATOM 0 HG1 THR A 5 0.484 -14.365 -3.769 1.00 0.00 H new ATOM 0 HG21 THR A 5 2.689 -15.374 -5.270 1.00 0.00 H new ATOM 0 HG22 THR A 5 3.607 -13.864 -5.060 1.00 0.00 H new ATOM 0 HG23 THR A 5 2.631 -14.506 -3.718 1.00 0.00 H new ATOM 68 N CYS A 6 2.987 -10.972 -3.314 1.00 0.00 N ATOM 69 CA CYS A 6 4.246 -10.315 -3.002 1.00 0.00 C ATOM 70 C CYS A 6 5.256 -11.385 -2.585 1.00 0.00 C ATOM 71 O CYS A 6 5.718 -11.398 -1.445 1.00 0.00 O ATOM 72 CB CYS A 6 4.073 -9.243 -1.925 1.00 0.00 C ATOM 73 SG CYS A 6 3.498 -7.619 -2.543 1.00 0.00 S ATOM 0 H CYS A 6 2.298 -10.952 -2.562 1.00 0.00 H new ATOM 0 HA CYS A 6 4.615 -9.793 -3.885 1.00 0.00 H new ATOM 0 HB2 CYS A 6 3.362 -9.606 -1.182 1.00 0.00 H new ATOM 0 HB3 CYS A 6 5.026 -9.105 -1.414 1.00 0.00 H new ATOM 0 HG CYS A 6 3.910 -7.449 -3.764 1.00 0.00 H new ATOM 78 N GLY A 7 5.569 -12.259 -3.530 1.00 0.00 N ATOM 79 CA GLY A 7 6.516 -13.331 -3.276 1.00 0.00 C ATOM 80 C GLY A 7 5.931 -14.360 -2.307 1.00 0.00 C ATOM 81 O GLY A 7 5.890 -15.552 -2.611 1.00 0.00 O ATOM 0 H GLY A 7 5.183 -12.246 -4.474 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.779 -13.819 -4.215 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.436 -12.918 -2.862 1.00 0.00 H new ATOM 85 N SER A 8 5.492 -13.864 -1.159 1.00 0.00 N ATOM 86 CA SER A 8 4.911 -14.726 -0.144 1.00 0.00 C ATOM 87 C SER A 8 3.570 -14.155 0.321 1.00 0.00 C ATOM 88 O SER A 8 3.349 -13.977 1.518 1.00 0.00 O ATOM 89 CB SER A 8 5.859 -14.891 1.046 1.00 0.00 C ATOM 90 OG SER A 8 5.749 -13.812 1.970 1.00 0.00 O ATOM 0 H SER A 8 5.527 -12.876 -0.910 1.00 0.00 H new ATOM 0 HA SER A 8 4.747 -15.710 -0.583 1.00 0.00 H new ATOM 0 HB2 SER A 8 5.640 -15.829 1.556 1.00 0.00 H new ATOM 0 HB3 SER A 8 6.886 -14.956 0.685 1.00 0.00 H new ATOM 0 HG SER A 8 4.855 -13.814 2.371 1.00 0.00 H new ATOM 96 N ASN A 9 2.710 -13.885 -0.650 1.00 0.00 N ATOM 97 CA ASN A 9 1.396 -13.339 -0.355 1.00 0.00 C ATOM 98 C ASN A 9 0.371 -13.937 -1.320 1.00 0.00 C ATOM 99 O ASN A 9 0.701 -14.817 -2.114 1.00 0.00 O ATOM 100 CB ASN A 9 1.379 -11.819 -0.530 1.00 0.00 C ATOM 101 CG ASN A 9 2.508 -11.163 0.268 1.00 0.00 C ATOM 102 OD1 ASN A 9 3.727 -11.485 -0.155 1.00 0.00 O flip ATOM 103 ND2 ASN A 9 2.286 -10.414 1.205 1.00 0.00 N flip ATOM 0 H ASN A 9 2.897 -14.034 -1.642 1.00 0.00 H new ATOM 0 HA ASN A 9 1.153 -13.586 0.678 1.00 0.00 H new ATOM 0 HB2 ASN A 9 1.483 -11.570 -1.586 1.00 0.00 H new ATOM 0 HB3 ASN A 9 0.418 -11.422 -0.202 1.00 0.00 H new ATOM 0 HD21 ASN A 9 1.325 -10.209 1.477 1.00 0.00 H new ATOM 0 HD22 ASN A 9 3.062 -9.993 1.716 1.00 0.00 H new ATOM 110 N CYS A 10 -0.852 -13.437 -1.219 1.00 0.00 N ATOM 111 CA CYS A 10 -1.928 -13.912 -2.073 1.00 0.00 C ATOM 112 C CYS A 10 -3.183 -13.095 -1.764 1.00 0.00 C ATOM 113 O CYS A 10 -4.199 -13.647 -1.346 1.00 0.00 O ATOM 114 CB CYS A 10 -2.166 -15.414 -1.901 1.00 0.00 C ATOM 115 SG CYS A 10 -2.537 -16.314 -3.451 1.00 0.00 S ATOM 0 H CYS A 10 -1.122 -12.708 -0.559 1.00 0.00 H new ATOM 0 HA CYS A 10 -1.654 -13.773 -3.119 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -1.282 -15.858 -1.442 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -2.993 -15.559 -1.206 1.00 0.00 H new ATOM 120 N TYR A 11 -3.071 -11.792 -1.981 1.00 0.00 N ATOM 121 CA TYR A 11 -4.185 -10.894 -1.728 1.00 0.00 C ATOM 122 C TYR A 11 -4.452 -9.998 -2.940 1.00 0.00 C ATOM 123 O TYR A 11 -3.807 -8.965 -3.107 1.00 0.00 O ATOM 124 CB TYR A 11 -3.763 -10.019 -0.546 1.00 0.00 C ATOM 125 CG TYR A 11 -2.265 -9.713 -0.503 1.00 0.00 C ATOM 126 CD1 TYR A 11 -1.599 -9.358 -1.659 1.00 0.00 C ATOM 127 CD2 TYR A 11 -1.579 -9.790 0.692 1.00 0.00 C ATOM 128 CE1 TYR A 11 -0.190 -9.070 -1.617 1.00 0.00 C ATOM 129 CE2 TYR A 11 -0.169 -9.501 0.734 1.00 0.00 C ATOM 130 CZ TYR A 11 0.456 -9.156 -0.424 1.00 0.00 C ATOM 131 OH TYR A 11 1.788 -8.882 -0.385 1.00 0.00 O ATOM 0 H TYR A 11 -2.227 -11.338 -2.329 1.00 0.00 H new ATOM 0 HA TYR A 11 -5.095 -11.459 -1.525 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -4.314 -9.080 -0.587 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -4.049 -10.516 0.381 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -2.135 -9.297 -2.594 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -2.100 -10.067 1.596 1.00 0.00 H new ATOM 0 HE1 TYR A 11 0.343 -8.791 -2.514 1.00 0.00 H new ATOM 0 HE2 TYR A 11 0.379 -9.557 1.663 1.00 0.00 H new ATOM 0 HH TYR A 11 1.997 -8.180 -1.036 1.00 0.00 H new ATOM 141 N SER A 12 -5.403 -10.429 -3.756 1.00 0.00 N ATOM 142 CA SER A 12 -5.763 -9.679 -4.948 1.00 0.00 C ATOM 143 C SER A 12 -6.280 -8.293 -4.557 1.00 0.00 C ATOM 144 O SER A 12 -6.358 -7.966 -3.375 1.00 0.00 O ATOM 145 CB SER A 12 -6.814 -10.425 -5.771 1.00 0.00 C ATOM 146 OG SER A 12 -7.957 -10.769 -4.992 1.00 0.00 O ATOM 0 H SER A 12 -5.935 -11.288 -3.615 1.00 0.00 H new ATOM 0 HA SER A 12 -4.871 -9.567 -5.564 1.00 0.00 H new ATOM 0 HB2 SER A 12 -7.122 -9.805 -6.613 1.00 0.00 H new ATOM 0 HB3 SER A 12 -6.373 -11.331 -6.187 1.00 0.00 H new ATOM 0 HG SER A 12 -8.605 -11.242 -5.554 1.00 0.00 H new ATOM 152 N SER A 13 -6.619 -7.515 -5.575 1.00 0.00 N ATOM 153 CA SER A 13 -7.126 -6.172 -5.353 1.00 0.00 C ATOM 154 C SER A 13 -8.281 -6.207 -4.351 1.00 0.00 C ATOM 155 O SER A 13 -8.643 -5.179 -3.779 1.00 0.00 O ATOM 156 CB SER A 13 -7.582 -5.532 -6.666 1.00 0.00 C ATOM 157 OG SER A 13 -7.861 -6.507 -7.667 1.00 0.00 O ATOM 0 H SER A 13 -6.552 -7.789 -6.555 1.00 0.00 H new ATOM 0 HA SER A 13 -6.318 -5.565 -4.945 1.00 0.00 H new ATOM 0 HB2 SER A 13 -8.474 -4.932 -6.486 1.00 0.00 H new ATOM 0 HB3 SER A 13 -6.809 -4.854 -7.026 1.00 0.00 H new ATOM 0 HG SER A 13 -8.150 -6.058 -8.489 1.00 0.00 H new ATOM 163 N SER A 14 -8.827 -7.400 -4.168 1.00 0.00 N ATOM 164 CA SER A 14 -9.933 -7.582 -3.243 1.00 0.00 C ATOM 165 C SER A 14 -9.405 -7.714 -1.813 1.00 0.00 C ATOM 166 O SER A 14 -10.083 -7.336 -0.860 1.00 0.00 O ATOM 167 CB SER A 14 -10.766 -8.811 -3.617 1.00 0.00 C ATOM 168 OG SER A 14 -11.896 -8.969 -2.763 1.00 0.00 O ATOM 0 H SER A 14 -8.525 -8.250 -4.644 1.00 0.00 H new ATOM 0 HA SER A 14 -10.578 -6.706 -3.305 1.00 0.00 H new ATOM 0 HB2 SER A 14 -11.102 -8.721 -4.650 1.00 0.00 H new ATOM 0 HB3 SER A 14 -10.142 -9.703 -3.561 1.00 0.00 H new ATOM 0 HG SER A 14 -12.403 -9.763 -3.034 1.00 0.00 H new ATOM 174 N ASP A 15 -8.199 -8.253 -1.710 1.00 0.00 N ATOM 175 CA ASP A 15 -7.571 -8.439 -0.413 1.00 0.00 C ATOM 176 C ASP A 15 -6.871 -7.143 0.001 1.00 0.00 C ATOM 177 O ASP A 15 -6.918 -6.752 1.166 1.00 0.00 O ATOM 178 CB ASP A 15 -6.520 -9.549 -0.464 1.00 0.00 C ATOM 179 CG ASP A 15 -7.035 -10.945 -0.108 1.00 0.00 C ATOM 180 OD1 ASP A 15 -7.935 -11.420 -0.834 1.00 0.00 O ATOM 181 OD2 ASP A 15 -6.518 -11.504 0.883 1.00 0.00 O ATOM 0 H ASP A 15 -7.640 -8.567 -2.503 1.00 0.00 H new ATOM 0 HA ASP A 15 -8.348 -8.711 0.302 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -6.095 -9.580 -1.467 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -5.709 -9.293 0.218 1.00 0.00 H new ATOM 186 N VAL A 16 -6.236 -6.512 -0.977 1.00 0.00 N ATOM 187 CA VAL A 16 -5.527 -5.269 -0.728 1.00 0.00 C ATOM 188 C VAL A 16 -6.492 -4.249 -0.122 1.00 0.00 C ATOM 189 O VAL A 16 -6.179 -3.613 0.884 1.00 0.00 O ATOM 190 CB VAL A 16 -4.870 -4.776 -2.019 1.00 0.00 C ATOM 191 CG1 VAL A 16 -4.184 -3.425 -1.803 1.00 0.00 C ATOM 192 CG2 VAL A 16 -3.882 -5.811 -2.562 1.00 0.00 C ATOM 0 H VAL A 16 -6.198 -6.839 -1.942 1.00 0.00 H new ATOM 0 HA VAL A 16 -4.724 -5.424 -0.007 1.00 0.00 H new ATOM 0 HB VAL A 16 -5.655 -4.639 -2.763 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -3.725 -3.097 -2.736 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -4.922 -2.689 -1.483 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -3.416 -3.525 -1.036 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.429 -5.435 -3.480 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.103 -5.994 -1.822 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -4.409 -6.742 -2.772 1.00 0.00 H new ATOM 202 N SER A 17 -7.648 -4.123 -0.758 1.00 0.00 N ATOM 203 CA SER A 17 -8.661 -3.191 -0.294 1.00 0.00 C ATOM 204 C SER A 17 -8.688 -3.167 1.236 1.00 0.00 C ATOM 205 O SER A 17 -8.606 -2.101 1.845 1.00 0.00 O ATOM 206 CB SER A 17 -10.042 -3.558 -0.843 1.00 0.00 C ATOM 207 OG SER A 17 -10.981 -2.500 -0.679 1.00 0.00 O ATOM 0 H SER A 17 -7.905 -4.652 -1.592 1.00 0.00 H new ATOM 0 HA SER A 17 -8.406 -2.198 -0.663 1.00 0.00 H new ATOM 0 HB2 SER A 17 -9.957 -3.806 -1.901 1.00 0.00 H new ATOM 0 HB3 SER A 17 -10.409 -4.450 -0.335 1.00 0.00 H new ATOM 0 HG SER A 17 -11.849 -2.773 -1.043 1.00 0.00 H new ATOM 213 N THR A 18 -8.804 -4.354 1.813 1.00 0.00 N ATOM 214 CA THR A 18 -8.844 -4.482 3.260 1.00 0.00 C ATOM 215 C THR A 18 -7.720 -3.663 3.898 1.00 0.00 C ATOM 216 O THR A 18 -7.970 -2.836 4.773 1.00 0.00 O ATOM 217 CB THR A 18 -8.781 -5.972 3.603 1.00 0.00 C ATOM 218 OG1 THR A 18 -10.147 -6.375 3.651 1.00 0.00 O ATOM 219 CG2 THR A 18 -8.269 -6.223 5.023 1.00 0.00 C ATOM 0 H THR A 18 -8.872 -5.236 1.305 1.00 0.00 H new ATOM 0 HA THR A 18 -9.770 -4.078 3.669 1.00 0.00 H new ATOM 0 HB THR A 18 -8.136 -6.483 2.888 1.00 0.00 H new ATOM 0 HG1 THR A 18 -10.199 -7.330 3.866 1.00 0.00 H new ATOM 0 HG21 THR A 18 -8.243 -7.295 5.216 1.00 0.00 H new ATOM 0 HG22 THR A 18 -7.265 -5.812 5.126 1.00 0.00 H new ATOM 0 HG23 THR A 18 -8.934 -5.741 5.740 1.00 0.00 H new ATOM 227 N ALA A 19 -6.506 -3.922 3.435 1.00 0.00 N ATOM 228 CA ALA A 19 -5.343 -3.219 3.950 1.00 0.00 C ATOM 229 C ALA A 19 -5.536 -1.714 3.757 1.00 0.00 C ATOM 230 O ALA A 19 -5.236 -0.927 4.653 1.00 0.00 O ATOM 231 CB ALA A 19 -4.083 -3.739 3.255 1.00 0.00 C ATOM 0 H ALA A 19 -6.302 -4.609 2.709 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.225 -3.402 5.018 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.211 -3.212 3.641 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.976 -4.807 3.447 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.163 -3.569 2.181 1.00 0.00 H new ATOM 237 N GLN A 20 -6.035 -1.358 2.583 1.00 0.00 N ATOM 238 CA GLN A 20 -6.271 0.038 2.262 1.00 0.00 C ATOM 239 C GLN A 20 -7.216 0.667 3.288 1.00 0.00 C ATOM 240 O GLN A 20 -6.881 1.672 3.913 1.00 0.00 O ATOM 241 CB GLN A 20 -6.826 0.189 0.843 1.00 0.00 C ATOM 242 CG GLN A 20 -6.025 -0.656 -0.150 1.00 0.00 C ATOM 243 CD GLN A 20 -6.793 -0.834 -1.461 1.00 0.00 C ATOM 244 OE1 GLN A 20 -6.809 -1.896 -2.062 1.00 0.00 O ATOM 245 NE2 GLN A 20 -7.428 0.261 -1.870 1.00 0.00 N ATOM 0 H GLN A 20 -6.283 -2.013 1.842 1.00 0.00 H new ATOM 0 HA GLN A 20 -5.318 0.565 2.303 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -7.873 -0.115 0.823 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -6.792 1.237 0.545 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -5.065 -0.179 -0.348 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -5.812 -1.632 0.286 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -7.373 1.118 -1.319 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -7.969 0.244 -2.734 1.00 0.00 H new ATOM 254 N ALA A 21 -8.379 0.047 3.432 1.00 0.00 N ATOM 255 CA ALA A 21 -9.374 0.534 4.373 1.00 0.00 C ATOM 256 C ALA A 21 -8.670 1.074 5.619 1.00 0.00 C ATOM 257 O ALA A 21 -9.131 2.041 6.226 1.00 0.00 O ATOM 258 CB ALA A 21 -10.358 -0.590 4.700 1.00 0.00 C ATOM 0 H ALA A 21 -8.654 -0.787 2.913 1.00 0.00 H new ATOM 0 HA ALA A 21 -9.947 1.353 3.938 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.105 -0.226 5.406 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -10.852 -0.918 3.786 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.819 -1.428 5.142 1.00 0.00 H new ATOM 264 N ALA A 22 -7.567 0.427 5.964 1.00 0.00 N ATOM 265 CA ALA A 22 -6.795 0.831 7.127 1.00 0.00 C ATOM 266 C ALA A 22 -6.068 2.142 6.821 1.00 0.00 C ATOM 267 O ALA A 22 -6.223 3.126 7.543 1.00 0.00 O ATOM 268 CB ALA A 22 -5.833 -0.293 7.518 1.00 0.00 C ATOM 0 H ALA A 22 -7.189 -0.374 5.459 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.450 1.009 7.980 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.254 0.010 8.390 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.401 -1.192 7.755 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.157 -0.499 6.688 1.00 0.00 H new ATOM 274 N GLY A 23 -5.288 2.113 5.750 1.00 0.00 N ATOM 275 CA GLY A 23 -4.536 3.286 5.341 1.00 0.00 C ATOM 276 C GLY A 23 -5.462 4.484 5.125 1.00 0.00 C ATOM 277 O GLY A 23 -5.149 5.598 5.541 1.00 0.00 O ATOM 0 H GLY A 23 -5.161 1.295 5.154 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -3.793 3.529 6.101 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.993 3.071 4.421 1.00 0.00 H new ATOM 281 N TYR A 24 -6.585 4.214 4.477 1.00 0.00 N ATOM 282 CA TYR A 24 -7.560 5.256 4.202 1.00 0.00 C ATOM 283 C TYR A 24 -8.165 5.798 5.500 1.00 0.00 C ATOM 284 O TYR A 24 -7.994 6.971 5.827 1.00 0.00 O ATOM 285 CB TYR A 24 -8.665 4.594 3.377 1.00 0.00 C ATOM 286 CG TYR A 24 -9.404 5.554 2.443 1.00 0.00 C ATOM 287 CD1 TYR A 24 -8.836 5.919 1.238 1.00 0.00 C ATOM 288 CD2 TYR A 24 -10.639 6.055 2.803 1.00 0.00 C ATOM 289 CE1 TYR A 24 -9.531 6.822 0.359 1.00 0.00 C ATOM 290 CE2 TYR A 24 -11.334 6.958 1.923 1.00 0.00 C ATOM 291 CZ TYR A 24 -10.745 7.298 0.744 1.00 0.00 C ATOM 292 OH TYR A 24 -11.402 8.150 -0.086 1.00 0.00 O ATOM 0 H TYR A 24 -6.842 3.288 4.134 1.00 0.00 H new ATOM 0 HA TYR A 24 -7.092 6.091 3.680 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -8.229 3.790 2.784 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -9.385 4.136 4.055 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -7.870 5.527 0.955 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -11.084 5.770 3.745 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -9.098 7.115 -0.586 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -12.301 7.357 2.192 1.00 0.00 H new ATOM 0 HH TYR A 24 -11.047 9.056 0.028 1.00 0.00 H new ATOM 302 N LYS A 25 -8.860 4.916 6.204 1.00 0.00 N ATOM 303 CA LYS A 25 -9.490 5.290 7.459 1.00 0.00 C ATOM 304 C LYS A 25 -8.560 6.225 8.233 1.00 0.00 C ATOM 305 O LYS A 25 -8.908 7.375 8.497 1.00 0.00 O ATOM 306 CB LYS A 25 -9.903 4.043 8.244 1.00 0.00 C ATOM 307 CG LYS A 25 -10.629 4.424 9.536 1.00 0.00 C ATOM 308 CD LYS A 25 -12.018 4.990 9.237 1.00 0.00 C ATOM 309 CE LYS A 25 -12.845 5.119 10.518 1.00 0.00 C ATOM 310 NZ LYS A 25 -13.161 6.539 10.790 1.00 0.00 N ATOM 0 H LYS A 25 -9.001 3.944 5.929 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.412 5.841 7.273 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -10.552 3.420 7.628 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -9.020 3.449 8.480 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -10.720 3.548 10.178 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.042 5.161 10.084 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.922 5.966 8.762 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -12.535 4.341 8.530 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -13.768 4.547 10.421 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -12.294 4.696 11.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -13.587 6.625 11.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.288 7.102 10.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -13.830 6.889 10.075 1.00 0.00 H new ATOM 324 N LEU A 26 -7.394 5.697 8.576 1.00 0.00 N ATOM 325 CA LEU A 26 -6.411 6.470 9.316 1.00 0.00 C ATOM 326 C LEU A 26 -6.084 7.748 8.538 1.00 0.00 C ATOM 327 O LEU A 26 -5.879 8.805 9.133 1.00 0.00 O ATOM 328 CB LEU A 26 -5.184 5.613 9.634 1.00 0.00 C ATOM 329 CG LEU A 26 -4.028 6.330 10.334 1.00 0.00 C ATOM 330 CD1 LEU A 26 -4.070 6.094 11.845 1.00 0.00 C ATOM 331 CD2 LEU A 26 -2.684 5.924 9.727 1.00 0.00 C ATOM 0 H LEU A 26 -7.108 4.743 8.355 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.815 6.777 10.281 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.501 4.779 10.260 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.811 5.188 8.702 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.143 7.402 10.173 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.237 6.615 12.318 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.010 6.473 12.246 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.993 5.026 12.049 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.879 6.448 10.242 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.546 4.848 9.836 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.668 6.186 8.669 1.00 0.00 H new ATOM 343 N HIS A 27 -6.044 7.607 7.222 1.00 0.00 N ATOM 344 CA HIS A 27 -5.745 8.736 6.358 1.00 0.00 C ATOM 345 C HIS A 27 -6.840 9.795 6.499 1.00 0.00 C ATOM 346 O HIS A 27 -6.548 10.973 6.699 1.00 0.00 O ATOM 347 CB HIS A 27 -5.548 8.276 4.911 1.00 0.00 C ATOM 348 CG HIS A 27 -5.389 9.407 3.924 1.00 0.00 C ATOM 349 ND1 HIS A 27 -4.370 10.340 4.010 1.00 0.00 N ATOM 350 CD2 HIS A 27 -6.128 9.745 2.829 1.00 0.00 C ATOM 351 CE1 HIS A 27 -4.501 11.196 3.007 1.00 0.00 C ATOM 352 NE2 HIS A 27 -5.591 10.826 2.276 1.00 0.00 N ATOM 0 H HIS A 27 -6.214 6.728 6.733 1.00 0.00 H new ATOM 0 HA HIS A 27 -4.804 9.193 6.664 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.667 7.637 4.861 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -6.402 7.666 4.615 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -3.642 10.364 4.724 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -7.003 9.222 2.472 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -3.857 12.039 2.804 1.00 0.00 H new ATOM 361 N GLU A 28 -8.079 9.337 6.389 1.00 0.00 N ATOM 362 CA GLU A 28 -9.220 10.230 6.502 1.00 0.00 C ATOM 363 C GLU A 28 -9.223 10.916 7.870 1.00 0.00 C ATOM 364 O GLU A 28 -9.756 12.015 8.016 1.00 0.00 O ATOM 365 CB GLU A 28 -10.530 9.479 6.263 1.00 0.00 C ATOM 366 CG GLU A 28 -10.264 8.057 5.763 1.00 0.00 C ATOM 367 CD GLU A 28 -11.555 7.398 5.271 1.00 0.00 C ATOM 368 OE1 GLU A 28 -12.219 8.019 4.414 1.00 0.00 O ATOM 369 OE2 GLU A 28 -11.848 6.287 5.765 1.00 0.00 O ATOM 0 H GLU A 28 -8.317 8.359 6.223 1.00 0.00 H new ATOM 0 HA GLU A 28 -9.134 10.997 5.732 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -11.106 9.441 7.188 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -11.134 10.018 5.533 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -9.534 8.083 4.954 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -9.830 7.461 6.566 1.00 0.00 H new ATOM 376 N ASP A 29 -8.621 10.240 8.837 1.00 0.00 N ATOM 377 CA ASP A 29 -8.548 10.771 10.188 1.00 0.00 C ATOM 378 C ASP A 29 -7.290 11.631 10.325 1.00 0.00 C ATOM 379 O ASP A 29 -7.177 12.426 11.258 1.00 0.00 O ATOM 380 CB ASP A 29 -8.465 9.643 11.218 1.00 0.00 C ATOM 381 CG ASP A 29 -9.811 9.056 11.645 1.00 0.00 C ATOM 382 OD1 ASP A 29 -10.567 8.649 10.736 1.00 0.00 O ATOM 383 OD2 ASP A 29 -10.055 9.027 12.871 1.00 0.00 O ATOM 0 H ASP A 29 -8.179 9.329 8.712 1.00 0.00 H new ATOM 0 HA ASP A 29 -9.447 11.359 10.369 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -7.850 8.842 10.808 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -7.952 10.017 12.104 1.00 0.00 H new ATOM 388 N GLY A 30 -6.378 11.444 9.383 1.00 0.00 N ATOM 389 CA GLY A 30 -5.133 12.193 9.388 1.00 0.00 C ATOM 390 C GLY A 30 -4.178 11.662 10.458 1.00 0.00 C ATOM 391 O GLY A 30 -3.294 12.383 10.920 1.00 0.00 O ATOM 0 H GLY A 30 -6.476 10.785 8.611 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -4.660 12.126 8.408 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.340 13.247 9.571 1.00 0.00 H new ATOM 395 N GLU A 31 -4.386 10.405 10.821 1.00 0.00 N ATOM 396 CA GLU A 31 -3.554 9.769 11.827 1.00 0.00 C ATOM 397 C GLU A 31 -2.495 8.888 11.162 1.00 0.00 C ATOM 398 O GLU A 31 -2.500 8.718 9.944 1.00 0.00 O ATOM 399 CB GLU A 31 -4.403 8.958 12.809 1.00 0.00 C ATOM 400 CG GLU A 31 -5.213 9.880 13.724 1.00 0.00 C ATOM 401 CD GLU A 31 -4.307 10.578 14.740 1.00 0.00 C ATOM 402 OE1 GLU A 31 -3.582 11.503 14.312 1.00 0.00 O ATOM 403 OE2 GLU A 31 -4.360 10.172 15.921 1.00 0.00 O ATOM 0 H GLU A 31 -5.119 9.810 10.436 1.00 0.00 H new ATOM 0 HA GLU A 31 -3.046 10.549 12.394 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.077 8.303 12.258 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -3.758 8.318 13.411 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -5.735 10.626 13.125 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.974 9.302 14.247 1.00 0.00 H new ATOM 410 N THR A 32 -1.612 8.351 11.992 1.00 0.00 N ATOM 411 CA THR A 32 -0.549 7.491 11.498 1.00 0.00 C ATOM 412 C THR A 32 -0.592 6.133 12.200 1.00 0.00 C ATOM 413 O THR A 32 -1.466 5.887 13.031 1.00 0.00 O ATOM 414 CB THR A 32 0.779 8.228 11.682 1.00 0.00 C ATOM 415 OG1 THR A 32 0.848 8.475 13.085 1.00 0.00 O ATOM 416 CG2 THR A 32 0.765 9.626 11.058 1.00 0.00 C ATOM 0 H THR A 32 -1.611 8.494 13.002 1.00 0.00 H new ATOM 0 HA THR A 32 -0.675 7.277 10.437 1.00 0.00 H new ATOM 0 HB THR A 32 1.584 7.641 11.239 1.00 0.00 H new ATOM 0 HG1 THR A 32 1.680 8.949 13.293 1.00 0.00 H new ATOM 0 HG21 THR A 32 1.731 10.105 11.217 1.00 0.00 H new ATOM 0 HG22 THR A 32 0.572 9.545 9.988 1.00 0.00 H new ATOM 0 HG23 THR A 32 -0.018 10.225 11.524 1.00 0.00 H new ATOM 424 N VAL A 33 0.361 5.286 11.841 1.00 0.00 N ATOM 425 CA VAL A 33 0.442 3.958 12.426 1.00 0.00 C ATOM 426 C VAL A 33 1.911 3.603 12.669 1.00 0.00 C ATOM 427 O VAL A 33 2.753 3.797 11.794 1.00 0.00 O ATOM 428 CB VAL A 33 -0.278 2.947 11.533 1.00 0.00 C ATOM 429 CG1 VAL A 33 -1.584 3.529 10.988 1.00 0.00 C ATOM 430 CG2 VAL A 33 0.630 2.477 10.394 1.00 0.00 C ATOM 0 H VAL A 33 1.084 5.493 11.152 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.063 3.934 13.392 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.527 2.079 12.143 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.076 2.790 10.356 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.240 3.791 11.818 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.368 4.422 10.401 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.094 1.759 9.774 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.924 3.333 9.786 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.520 2.004 10.810 1.00 0.00 H new ATOM 440 N GLY A 34 2.172 3.087 13.862 1.00 0.00 N ATOM 441 CA GLY A 34 3.524 2.701 14.231 1.00 0.00 C ATOM 442 C GLY A 34 4.366 3.929 14.587 1.00 0.00 C ATOM 443 O GLY A 34 3.832 4.946 15.026 1.00 0.00 O ATOM 0 H GLY A 34 1.470 2.927 14.585 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.492 2.018 15.080 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.990 2.162 13.406 1.00 0.00 H new ATOM 447 N SER A 35 5.668 3.793 14.383 1.00 0.00 N ATOM 448 CA SER A 35 6.589 4.878 14.678 1.00 0.00 C ATOM 449 C SER A 35 6.886 5.672 13.403 1.00 0.00 C ATOM 450 O SER A 35 7.705 6.589 13.417 1.00 0.00 O ATOM 451 CB SER A 35 7.888 4.348 15.287 1.00 0.00 C ATOM 452 OG SER A 35 8.882 5.363 15.393 1.00 0.00 O ATOM 0 H SER A 35 6.107 2.948 14.017 1.00 0.00 H new ATOM 0 HA SER A 35 6.119 5.536 15.409 1.00 0.00 H new ATOM 0 HB2 SER A 35 7.683 3.937 16.275 1.00 0.00 H new ATOM 0 HB3 SER A 35 8.268 3.531 14.674 1.00 0.00 H new ATOM 0 HG SER A 35 8.565 6.179 14.952 1.00 0.00 H new ATOM 458 N ASN A 36 6.204 5.289 12.333 1.00 0.00 N ATOM 459 CA ASN A 36 6.385 5.954 11.055 1.00 0.00 C ATOM 460 C ASN A 36 5.260 6.970 10.849 1.00 0.00 C ATOM 461 O ASN A 36 4.566 7.334 11.798 1.00 0.00 O ATOM 462 CB ASN A 36 6.332 4.951 9.900 1.00 0.00 C ATOM 463 CG ASN A 36 7.735 4.651 9.370 1.00 0.00 C ATOM 464 OD1 ASN A 36 8.736 5.126 9.882 1.00 0.00 O ATOM 465 ND2 ASN A 36 7.754 3.838 8.318 1.00 0.00 N ATOM 0 H ASN A 36 5.526 4.527 12.326 1.00 0.00 H new ATOM 0 HA ASN A 36 7.359 6.443 11.065 1.00 0.00 H new ATOM 0 HB2 ASN A 36 5.861 4.027 10.237 1.00 0.00 H new ATOM 0 HB3 ASN A 36 5.713 5.349 9.096 1.00 0.00 H new ATOM 0 HD21 ASN A 36 8.643 3.577 7.891 1.00 0.00 H new ATOM 0 HD22 ASN A 36 6.880 3.475 7.938 1.00 0.00 H new ATOM 472 N SER A 37 5.114 7.400 9.604 1.00 0.00 N ATOM 473 CA SER A 37 4.085 8.368 9.262 1.00 0.00 C ATOM 474 C SER A 37 3.202 7.817 8.141 1.00 0.00 C ATOM 475 O SER A 37 2.905 8.522 7.177 1.00 0.00 O ATOM 476 CB SER A 37 4.703 9.703 8.845 1.00 0.00 C ATOM 477 OG SER A 37 5.029 9.731 7.458 1.00 0.00 O ATOM 0 H SER A 37 5.691 7.096 8.820 1.00 0.00 H new ATOM 0 HA SER A 37 3.471 8.544 10.146 1.00 0.00 H new ATOM 0 HB2 SER A 37 4.007 10.511 9.070 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.603 9.885 9.433 1.00 0.00 H new ATOM 0 HG SER A 37 4.207 9.680 6.928 1.00 0.00 H new ATOM 483 N TYR A 38 2.807 6.564 8.303 1.00 0.00 N ATOM 484 CA TYR A 38 1.964 5.911 7.316 1.00 0.00 C ATOM 485 C TYR A 38 0.493 5.957 7.735 1.00 0.00 C ATOM 486 O TYR A 38 0.182 5.937 8.925 1.00 0.00 O ATOM 487 CB TYR A 38 2.422 4.452 7.268 1.00 0.00 C ATOM 488 CG TYR A 38 3.821 4.259 6.681 1.00 0.00 C ATOM 489 CD1 TYR A 38 4.827 5.154 6.983 1.00 0.00 C ATOM 490 CD2 TYR A 38 4.078 3.188 5.848 1.00 0.00 C ATOM 491 CE1 TYR A 38 6.144 4.971 6.430 1.00 0.00 C ATOM 492 CE2 TYR A 38 5.395 3.005 5.294 1.00 0.00 C ATOM 493 CZ TYR A 38 6.362 3.906 5.612 1.00 0.00 C ATOM 494 OH TYR A 38 7.606 3.734 5.090 1.00 0.00 O ATOM 0 H TYR A 38 3.055 5.983 9.103 1.00 0.00 H new ATOM 0 HA TYR A 38 2.050 6.408 6.350 1.00 0.00 H new ATOM 0 HB2 TYR A 38 2.403 4.042 8.278 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.709 3.877 6.677 1.00 0.00 H new ATOM 0 HD1 TYR A 38 4.627 5.992 7.634 1.00 0.00 H new ATOM 0 HD2 TYR A 38 3.291 2.487 5.612 1.00 0.00 H new ATOM 0 HE1 TYR A 38 6.940 5.663 6.659 1.00 0.00 H new ATOM 0 HE2 TYR A 38 5.609 2.172 4.641 1.00 0.00 H new ATOM 0 HH TYR A 38 7.616 2.933 4.526 1.00 0.00 H new ATOM 504 N PRO A 39 -0.395 6.020 6.707 1.00 0.00 N ATOM 505 CA PRO A 39 0.057 6.040 5.327 1.00 0.00 C ATOM 506 C PRO A 39 0.633 7.409 4.958 1.00 0.00 C ATOM 507 O PRO A 39 0.810 8.265 5.824 1.00 0.00 O ATOM 508 CB PRO A 39 -1.168 5.671 4.506 1.00 0.00 C ATOM 509 CG PRO A 39 -2.365 5.912 5.412 1.00 0.00 C ATOM 510 CD PRO A 39 -1.849 6.074 6.832 1.00 0.00 C ATOM 0 HA PRO A 39 0.871 5.339 5.141 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -1.232 6.280 3.604 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -1.124 4.630 4.185 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -2.907 6.804 5.099 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -3.063 5.077 5.352 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -2.174 7.020 7.266 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -2.220 5.281 7.481 1.00 0.00 H new ATOM 518 N HIS A 40 0.909 7.573 3.673 1.00 0.00 N ATOM 519 CA HIS A 40 1.461 8.822 3.179 1.00 0.00 C ATOM 520 C HIS A 40 1.613 8.751 1.658 1.00 0.00 C ATOM 521 O HIS A 40 1.708 7.664 1.091 1.00 0.00 O ATOM 522 CB HIS A 40 2.773 9.155 3.891 1.00 0.00 C ATOM 523 CG HIS A 40 3.918 8.239 3.530 1.00 0.00 C ATOM 524 ND1 HIS A 40 4.611 8.340 2.336 1.00 0.00 N ATOM 525 CD2 HIS A 40 4.483 7.205 4.217 1.00 0.00 C ATOM 526 CE1 HIS A 40 5.548 7.402 2.317 1.00 0.00 C ATOM 527 NE2 HIS A 40 5.467 6.701 3.483 1.00 0.00 N ATOM 0 H HIS A 40 0.760 6.861 2.958 1.00 0.00 H new ATOM 0 HA HIS A 40 0.776 9.640 3.403 1.00 0.00 H new ATOM 0 HB2 HIS A 40 3.053 10.181 3.653 1.00 0.00 H new ATOM 0 HB3 HIS A 40 2.611 9.110 4.968 1.00 0.00 H new ATOM 0 HD1 HIS A 40 4.432 9.020 1.597 1.00 0.00 H new ATOM 0 HD2 HIS A 40 4.181 6.856 5.193 1.00 0.00 H new ATOM 0 HE1 HIS A 40 6.252 7.225 1.518 1.00 0.00 H new ATOM 0 HE2 HIS A 40 6.064 5.918 3.748 1.00 0.00 H new ATOM 536 N LYS A 41 1.632 9.924 1.043 1.00 0.00 N ATOM 537 CA LYS A 41 1.772 10.008 -0.402 1.00 0.00 C ATOM 538 C LYS A 41 2.806 8.984 -0.871 1.00 0.00 C ATOM 539 O LYS A 41 3.676 8.577 -0.101 1.00 0.00 O ATOM 540 CB LYS A 41 2.090 11.443 -0.826 1.00 0.00 C ATOM 541 CG LYS A 41 3.202 11.470 -1.877 1.00 0.00 C ATOM 542 CD LYS A 41 2.656 11.893 -3.242 1.00 0.00 C ATOM 543 CE LYS A 41 2.322 13.386 -3.261 1.00 0.00 C ATOM 544 NZ LYS A 41 1.677 13.757 -4.540 1.00 0.00 N ATOM 0 H LYS A 41 1.553 10.823 1.517 1.00 0.00 H new ATOM 0 HA LYS A 41 0.831 9.757 -0.891 1.00 0.00 H new ATOM 0 HB2 LYS A 41 1.193 11.915 -1.228 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.393 12.025 0.045 1.00 0.00 H new ATOM 0 HG2 LYS A 41 3.986 12.160 -1.565 1.00 0.00 H new ATOM 0 HG3 LYS A 41 3.659 10.483 -1.954 1.00 0.00 H new ATOM 0 HD2 LYS A 41 3.391 11.671 -4.016 1.00 0.00 H new ATOM 0 HD3 LYS A 41 1.763 11.314 -3.475 1.00 0.00 H new ATOM 0 HE2 LYS A 41 1.660 13.627 -2.430 1.00 0.00 H new ATOM 0 HE3 LYS A 41 3.232 13.970 -3.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 2.217 14.523 -4.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 1.655 12.930 -5.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 0.705 14.079 -4.358 1.00 0.00 H new ATOM 558 N TYR A 42 2.679 8.596 -2.131 1.00 0.00 N ATOM 559 CA TYR A 42 3.593 7.627 -2.712 1.00 0.00 C ATOM 560 C TYR A 42 3.769 7.870 -4.212 1.00 0.00 C ATOM 561 O TYR A 42 4.864 7.706 -4.747 1.00 0.00 O ATOM 562 CB TYR A 42 2.944 6.257 -2.502 1.00 0.00 C ATOM 563 CG TYR A 42 3.532 5.149 -3.379 1.00 0.00 C ATOM 564 CD1 TYR A 42 3.277 5.135 -4.735 1.00 0.00 C ATOM 565 CD2 TYR A 42 4.315 4.164 -2.813 1.00 0.00 C ATOM 566 CE1 TYR A 42 3.831 4.092 -5.560 1.00 0.00 C ATOM 567 CE2 TYR A 42 4.868 3.122 -3.638 1.00 0.00 C ATOM 568 CZ TYR A 42 4.599 3.138 -4.970 1.00 0.00 C ATOM 569 OH TYR A 42 5.121 2.153 -5.750 1.00 0.00 O ATOM 0 H TYR A 42 1.957 8.935 -2.766 1.00 0.00 H new ATOM 0 HA TYR A 42 4.576 7.700 -2.247 1.00 0.00 H new ATOM 0 HB2 TYR A 42 3.050 5.973 -1.455 1.00 0.00 H new ATOM 0 HB3 TYR A 42 1.876 6.338 -2.704 1.00 0.00 H new ATOM 0 HD1 TYR A 42 2.663 5.905 -5.177 1.00 0.00 H new ATOM 0 HD2 TYR A 42 4.513 4.175 -1.751 1.00 0.00 H new ATOM 0 HE1 TYR A 42 3.641 4.069 -6.623 1.00 0.00 H new ATOM 0 HE2 TYR A 42 5.483 2.345 -3.208 1.00 0.00 H new ATOM 0 HH TYR A 42 5.205 2.475 -6.672 1.00 0.00 H new ATOM 579 N ASN A 43 2.673 8.257 -4.849 1.00 0.00 N ATOM 580 CA ASN A 43 2.693 8.525 -6.277 1.00 0.00 C ATOM 581 C ASN A 43 3.172 7.275 -7.019 1.00 0.00 C ATOM 582 O ASN A 43 2.392 6.356 -7.263 1.00 0.00 O ATOM 583 CB ASN A 43 3.652 9.669 -6.610 1.00 0.00 C ATOM 584 CG ASN A 43 2.909 11.005 -6.675 1.00 0.00 C ATOM 585 OD1 ASN A 43 1.881 11.094 -5.838 1.00 0.00 O flip ATOM 586 ND2 ASN A 43 3.248 11.897 -7.436 1.00 0.00 N flip ATOM 0 H ASN A 43 1.766 8.391 -4.402 1.00 0.00 H new ATOM 0 HA ASN A 43 1.684 8.801 -6.582 1.00 0.00 H new ATOM 0 HB2 ASN A 43 4.437 9.722 -5.856 1.00 0.00 H new ATOM 0 HB3 ASN A 43 4.140 9.473 -7.565 1.00 0.00 H new ATOM 0 HD21 ASN A 43 4.048 11.763 -8.054 1.00 0.00 H new ATOM 0 HD22 ASN A 43 2.731 12.776 -7.454 1.00 0.00 H new ATOM 593 N ASN A 44 4.453 7.281 -7.357 1.00 0.00 N ATOM 594 CA ASN A 44 5.046 6.160 -8.066 1.00 0.00 C ATOM 595 C ASN A 44 6.224 6.657 -8.905 1.00 0.00 C ATOM 596 O ASN A 44 6.486 7.858 -8.964 1.00 0.00 O ATOM 597 CB ASN A 44 4.033 5.510 -9.011 1.00 0.00 C ATOM 598 CG ASN A 44 3.851 6.347 -10.279 1.00 0.00 C ATOM 599 OD1 ASN A 44 4.633 5.976 -11.289 1.00 0.00 O flip ATOM 600 ND2 ASN A 44 3.054 7.268 -10.336 1.00 0.00 N flip ATOM 0 H ASN A 44 5.097 8.045 -7.153 1.00 0.00 H new ATOM 0 HA ASN A 44 5.373 5.428 -7.327 1.00 0.00 H new ATOM 0 HB2 ASN A 44 4.370 4.508 -9.277 1.00 0.00 H new ATOM 0 HB3 ASN A 44 3.075 5.400 -8.503 1.00 0.00 H new ATOM 0 HD21 ASN A 44 2.484 7.500 -9.523 1.00 0.00 H new ATOM 0 HD22 ASN A 44 2.957 7.806 -11.197 1.00 0.00 H new ATOM 607 N TYR A 45 6.905 5.709 -9.533 1.00 0.00 N ATOM 608 CA TYR A 45 8.050 6.037 -10.365 1.00 0.00 C ATOM 609 C TYR A 45 8.731 4.769 -10.884 1.00 0.00 C ATOM 610 O TYR A 45 9.021 4.658 -12.073 1.00 0.00 O ATOM 611 CB TYR A 45 9.026 6.793 -9.462 1.00 0.00 C ATOM 612 CG TYR A 45 8.950 8.316 -9.600 1.00 0.00 C ATOM 613 CD1 TYR A 45 7.995 8.887 -10.416 1.00 0.00 C ATOM 614 CD2 TYR A 45 9.836 9.116 -8.909 1.00 0.00 C ATOM 615 CE1 TYR A 45 7.923 10.320 -10.546 1.00 0.00 C ATOM 616 CE2 TYR A 45 9.765 10.548 -9.039 1.00 0.00 C ATOM 617 CZ TYR A 45 8.811 11.079 -9.850 1.00 0.00 C ATOM 618 OH TYR A 45 8.743 12.432 -9.973 1.00 0.00 O ATOM 0 H TYR A 45 6.686 4.714 -9.482 1.00 0.00 H new ATOM 0 HA TYR A 45 7.740 6.625 -11.229 1.00 0.00 H new ATOM 0 HB2 TYR A 45 8.829 6.522 -8.425 1.00 0.00 H new ATOM 0 HB3 TYR A 45 10.041 6.468 -9.689 1.00 0.00 H new ATOM 0 HD1 TYR A 45 7.302 8.260 -10.957 1.00 0.00 H new ATOM 0 HD2 TYR A 45 10.583 8.668 -8.270 1.00 0.00 H new ATOM 0 HE1 TYR A 45 7.181 10.781 -11.181 1.00 0.00 H new ATOM 0 HE2 TYR A 45 10.453 11.186 -8.505 1.00 0.00 H new ATOM 0 HH TYR A 45 9.437 12.846 -9.419 1.00 0.00 H new ATOM 628 N GLU A 46 8.966 3.844 -9.964 1.00 0.00 N ATOM 629 CA GLU A 46 9.609 2.589 -10.313 1.00 0.00 C ATOM 630 C GLU A 46 8.995 2.017 -11.593 1.00 0.00 C ATOM 631 O GLU A 46 9.595 1.165 -12.247 1.00 0.00 O ATOM 632 CB GLU A 46 9.511 1.585 -9.163 1.00 0.00 C ATOM 633 CG GLU A 46 10.223 2.111 -7.915 1.00 0.00 C ATOM 634 CD GLU A 46 11.499 1.314 -7.635 1.00 0.00 C ATOM 635 OE1 GLU A 46 11.436 0.074 -7.776 1.00 0.00 O ATOM 636 OE2 GLU A 46 12.509 1.964 -7.286 1.00 0.00 O ATOM 0 H GLU A 46 8.723 3.939 -8.978 1.00 0.00 H new ATOM 0 HA GLU A 46 10.666 2.782 -10.494 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.463 1.390 -8.934 1.00 0.00 H new ATOM 0 HB3 GLU A 46 9.953 0.636 -9.465 1.00 0.00 H new ATOM 0 HG2 GLU A 46 10.470 3.164 -8.049 1.00 0.00 H new ATOM 0 HG3 GLU A 46 9.554 2.047 -7.056 1.00 0.00 H new ATOM 643 N GLY A 47 7.806 2.508 -11.912 1.00 0.00 N ATOM 644 CA GLY A 47 7.105 2.055 -13.101 1.00 0.00 C ATOM 645 C GLY A 47 5.844 1.273 -12.732 1.00 0.00 C ATOM 646 O GLY A 47 5.674 0.129 -13.149 1.00 0.00 O ATOM 0 H GLY A 47 7.311 3.215 -11.368 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.837 2.913 -13.718 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.765 1.426 -13.699 1.00 0.00 H new ATOM 650 N PHE A 48 4.992 1.920 -11.949 1.00 0.00 N ATOM 651 CA PHE A 48 3.752 1.299 -11.518 1.00 0.00 C ATOM 652 C PHE A 48 2.575 1.770 -12.375 1.00 0.00 C ATOM 653 O PHE A 48 2.440 2.962 -12.649 1.00 0.00 O ATOM 654 CB PHE A 48 3.517 1.729 -10.068 1.00 0.00 C ATOM 655 CG PHE A 48 4.513 1.131 -9.072 1.00 0.00 C ATOM 656 CD1 PHE A 48 4.317 -0.123 -8.584 1.00 0.00 C ATOM 657 CD2 PHE A 48 5.595 1.854 -8.677 1.00 0.00 C ATOM 658 CE1 PHE A 48 5.243 -0.678 -7.661 1.00 0.00 C ATOM 659 CE2 PHE A 48 6.520 1.299 -7.752 1.00 0.00 C ATOM 660 CZ PHE A 48 6.324 0.045 -7.264 1.00 0.00 C ATOM 0 H PHE A 48 5.137 2.868 -11.602 1.00 0.00 H new ATOM 0 HA PHE A 48 3.825 0.216 -11.614 1.00 0.00 H new ATOM 0 HB2 PHE A 48 3.569 2.816 -10.009 1.00 0.00 H new ATOM 0 HB3 PHE A 48 2.508 1.442 -9.774 1.00 0.00 H new ATOM 0 HD1 PHE A 48 3.458 -0.697 -8.898 1.00 0.00 H new ATOM 0 HD2 PHE A 48 5.751 2.849 -9.066 1.00 0.00 H new ATOM 0 HE1 PHE A 48 5.088 -1.675 -7.274 1.00 0.00 H new ATOM 0 HE2 PHE A 48 7.379 1.873 -7.437 1.00 0.00 H new ATOM 0 HZ PHE A 48 7.027 -0.377 -6.561 1.00 0.00 H new ATOM 670 N ASP A 49 1.752 0.812 -12.771 1.00 0.00 N ATOM 671 CA ASP A 49 0.590 1.114 -13.590 1.00 0.00 C ATOM 672 C ASP A 49 -0.640 1.256 -12.691 1.00 0.00 C ATOM 673 O ASP A 49 -1.581 0.472 -12.793 1.00 0.00 O ATOM 674 CB ASP A 49 0.315 -0.010 -14.592 1.00 0.00 C ATOM 675 CG ASP A 49 1.553 -0.783 -15.052 1.00 0.00 C ATOM 676 OD1 ASP A 49 2.624 -0.144 -15.130 1.00 0.00 O ATOM 677 OD2 ASP A 49 1.399 -1.995 -15.314 1.00 0.00 O ATOM 0 H ASP A 49 1.866 -0.175 -12.540 1.00 0.00 H new ATOM 0 HA ASP A 49 0.790 2.039 -14.131 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.388 -0.712 -14.144 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -0.175 0.416 -15.468 1.00 0.00 H new ATOM 682 N PHE A 50 -0.592 2.263 -11.832 1.00 0.00 N ATOM 683 CA PHE A 50 -1.690 2.518 -10.916 1.00 0.00 C ATOM 684 C PHE A 50 -2.946 2.953 -11.673 1.00 0.00 C ATOM 685 O PHE A 50 -3.082 4.119 -12.040 1.00 0.00 O ATOM 686 CB PHE A 50 -1.247 3.655 -9.992 1.00 0.00 C ATOM 687 CG PHE A 50 -0.158 3.257 -8.993 1.00 0.00 C ATOM 688 CD1 PHE A 50 0.300 1.976 -8.961 1.00 0.00 C ATOM 689 CD2 PHE A 50 0.351 4.183 -8.137 1.00 0.00 C ATOM 690 CE1 PHE A 50 1.310 1.607 -8.035 1.00 0.00 C ATOM 691 CE2 PHE A 50 1.362 3.813 -7.212 1.00 0.00 C ATOM 692 CZ PHE A 50 1.820 2.533 -7.179 1.00 0.00 C ATOM 0 H PHE A 50 0.191 2.912 -11.751 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.929 1.611 -10.360 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -0.883 4.483 -10.600 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -2.114 4.021 -9.442 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -0.105 1.240 -9.640 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.014 5.199 -8.161 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.674 0.590 -8.010 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.768 4.549 -6.534 1.00 0.00 H new ATOM 0 HZ PHE A 50 2.588 2.252 -6.474 1.00 0.00 H new ATOM 702 N SER A 51 -3.834 1.992 -11.885 1.00 0.00 N ATOM 703 CA SER A 51 -5.073 2.261 -12.593 1.00 0.00 C ATOM 704 C SER A 51 -6.012 3.087 -11.709 1.00 0.00 C ATOM 705 O SER A 51 -7.231 3.013 -11.854 1.00 0.00 O ATOM 706 CB SER A 51 -5.756 0.960 -13.022 1.00 0.00 C ATOM 707 OG SER A 51 -6.159 0.175 -11.902 1.00 0.00 O ATOM 0 H SER A 51 -3.719 1.026 -11.578 1.00 0.00 H new ATOM 0 HA SER A 51 -4.837 2.829 -13.492 1.00 0.00 H new ATOM 0 HB2 SER A 51 -6.627 1.193 -13.634 1.00 0.00 H new ATOM 0 HB3 SER A 51 -5.074 0.381 -13.645 1.00 0.00 H new ATOM 0 HG SER A 51 -6.592 -0.646 -12.217 1.00 0.00 H new ATOM 713 N VAL A 52 -5.406 3.853 -10.815 1.00 0.00 N ATOM 714 CA VAL A 52 -6.172 4.692 -9.907 1.00 0.00 C ATOM 715 C VAL A 52 -5.699 6.141 -10.036 1.00 0.00 C ATOM 716 O VAL A 52 -4.576 6.394 -10.470 1.00 0.00 O ATOM 717 CB VAL A 52 -6.065 4.153 -8.480 1.00 0.00 C ATOM 718 CG1 VAL A 52 -6.451 2.674 -8.421 1.00 0.00 C ATOM 719 CG2 VAL A 52 -4.661 4.376 -7.913 1.00 0.00 C ATOM 0 H VAL A 52 -4.394 3.911 -10.699 1.00 0.00 H new ATOM 0 HA VAL A 52 -7.230 4.671 -10.169 1.00 0.00 H new ATOM 0 HB VAL A 52 -6.769 4.708 -7.860 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -6.366 2.316 -7.395 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -7.479 2.552 -8.764 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.784 2.098 -9.062 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.612 3.984 -6.897 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.931 3.860 -8.537 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.439 5.443 -7.901 1.00 0.00 H new ATOM 729 N SER A 53 -6.578 7.054 -9.653 1.00 0.00 N ATOM 730 CA SER A 53 -6.265 8.471 -9.721 1.00 0.00 C ATOM 731 C SER A 53 -5.584 8.918 -8.426 1.00 0.00 C ATOM 732 O SER A 53 -5.921 8.439 -7.345 1.00 0.00 O ATOM 733 CB SER A 53 -7.523 9.303 -9.973 1.00 0.00 C ATOM 734 OG SER A 53 -7.934 9.250 -11.337 1.00 0.00 O ATOM 0 H SER A 53 -7.508 6.840 -9.294 1.00 0.00 H new ATOM 0 HA SER A 53 -5.584 8.631 -10.557 1.00 0.00 H new ATOM 0 HB2 SER A 53 -8.331 8.941 -9.337 1.00 0.00 H new ATOM 0 HB3 SER A 53 -7.335 10.339 -9.691 1.00 0.00 H new ATOM 0 HG SER A 53 -8.741 9.792 -11.457 1.00 0.00 H new ATOM 740 N SER A 54 -4.636 9.832 -8.579 1.00 0.00 N ATOM 741 CA SER A 54 -3.904 10.349 -7.434 1.00 0.00 C ATOM 742 C SER A 54 -4.844 11.149 -6.531 1.00 0.00 C ATOM 743 O SER A 54 -5.988 11.414 -6.897 1.00 0.00 O ATOM 744 CB SER A 54 -2.729 11.221 -7.881 1.00 0.00 C ATOM 745 OG SER A 54 -3.076 12.601 -7.928 1.00 0.00 O ATOM 0 H SER A 54 -4.358 10.227 -9.477 1.00 0.00 H new ATOM 0 HA SER A 54 -3.503 9.504 -6.874 1.00 0.00 H new ATOM 0 HB2 SER A 54 -1.893 11.081 -7.196 1.00 0.00 H new ATOM 0 HB3 SER A 54 -2.392 10.898 -8.866 1.00 0.00 H new ATOM 0 HG SER A 54 -2.299 13.124 -8.216 1.00 0.00 H new ATOM 751 N PRO A 55 -4.314 11.520 -5.335 1.00 0.00 N ATOM 752 CA PRO A 55 -2.951 11.165 -4.978 1.00 0.00 C ATOM 753 C PRO A 55 -2.850 9.685 -4.603 1.00 0.00 C ATOM 754 O PRO A 55 -3.844 9.069 -4.221 1.00 0.00 O ATOM 755 CB PRO A 55 -2.588 12.094 -3.831 1.00 0.00 C ATOM 756 CG PRO A 55 -3.908 12.612 -3.282 1.00 0.00 C ATOM 757 CD PRO A 55 -4.994 12.285 -4.294 1.00 0.00 C ATOM 0 HA PRO A 55 -2.254 11.288 -5.807 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -2.026 11.564 -3.062 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -1.960 12.915 -4.177 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -4.130 12.148 -2.321 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -3.855 13.687 -3.113 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -5.798 11.706 -3.839 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -5.444 13.192 -4.699 1.00 0.00 H new ATOM 765 N TYR A 56 -1.641 9.157 -4.724 1.00 0.00 N ATOM 766 CA TYR A 56 -1.397 7.761 -4.401 1.00 0.00 C ATOM 767 C TYR A 56 -0.802 7.618 -2.999 1.00 0.00 C ATOM 768 O TYR A 56 0.303 8.089 -2.739 1.00 0.00 O ATOM 769 CB TYR A 56 -0.378 7.263 -5.428 1.00 0.00 C ATOM 770 CG TYR A 56 -0.905 7.232 -6.864 1.00 0.00 C ATOM 771 CD1 TYR A 56 -2.243 6.988 -7.103 1.00 0.00 C ATOM 772 CD2 TYR A 56 -0.044 7.449 -7.920 1.00 0.00 C ATOM 773 CE1 TYR A 56 -2.739 6.959 -8.454 1.00 0.00 C ATOM 774 CE2 TYR A 56 -0.540 7.420 -9.271 1.00 0.00 C ATOM 775 CZ TYR A 56 -1.863 7.177 -9.473 1.00 0.00 C ATOM 776 OH TYR A 56 -2.332 7.150 -10.749 1.00 0.00 O ATOM 0 H TYR A 56 -0.819 9.671 -5.041 1.00 0.00 H new ATOM 0 HA TYR A 56 -2.327 7.193 -4.425 1.00 0.00 H new ATOM 0 HB2 TYR A 56 0.504 7.903 -5.389 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -0.056 6.260 -5.148 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -2.917 6.819 -6.276 1.00 0.00 H new ATOM 0 HD2 TYR A 56 1.002 7.641 -7.733 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -3.783 6.769 -8.655 1.00 0.00 H new ATOM 0 HE2 TYR A 56 0.124 7.588 -10.106 1.00 0.00 H new ATOM 0 HH TYR A 56 -3.052 6.488 -10.819 1.00 0.00 H new ATOM 786 N TYR A 57 -1.563 6.965 -2.133 1.00 0.00 N ATOM 787 CA TYR A 57 -1.126 6.753 -0.763 1.00 0.00 C ATOM 788 C TYR A 57 -0.537 5.351 -0.587 1.00 0.00 C ATOM 789 O TYR A 57 -1.137 4.365 -1.010 1.00 0.00 O ATOM 790 CB TYR A 57 -2.379 6.880 0.104 1.00 0.00 C ATOM 791 CG TYR A 57 -3.090 8.229 -0.024 1.00 0.00 C ATOM 792 CD1 TYR A 57 -2.402 9.330 -0.491 1.00 0.00 C ATOM 793 CD2 TYR A 57 -4.420 8.344 0.328 1.00 0.00 C ATOM 794 CE1 TYR A 57 -3.071 10.599 -0.611 1.00 0.00 C ATOM 795 CE2 TYR A 57 -5.089 9.613 0.208 1.00 0.00 C ATOM 796 CZ TYR A 57 -4.382 10.678 -0.256 1.00 0.00 C ATOM 797 OH TYR A 57 -5.013 11.878 -0.369 1.00 0.00 O ATOM 0 H TYR A 57 -2.480 6.576 -2.353 1.00 0.00 H new ATOM 0 HA TYR A 57 -0.355 7.473 -0.490 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -3.076 6.086 -0.165 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -2.104 6.723 1.147 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -1.362 9.240 -0.767 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -4.958 7.482 0.693 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -2.544 11.469 -0.975 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -6.129 9.717 0.480 1.00 0.00 H new ATOM 0 HH TYR A 57 -5.499 12.072 0.460 1.00 0.00 H new ATOM 807 N GLU A 58 0.629 5.309 0.040 1.00 0.00 N ATOM 808 CA GLU A 58 1.304 4.045 0.279 1.00 0.00 C ATOM 809 C GLU A 58 0.977 3.524 1.680 1.00 0.00 C ATOM 810 O GLU A 58 0.943 4.293 2.639 1.00 0.00 O ATOM 811 CB GLU A 58 2.816 4.186 0.086 1.00 0.00 C ATOM 812 CG GLU A 58 3.391 5.254 1.019 1.00 0.00 C ATOM 813 CD GLU A 58 4.855 4.961 1.352 1.00 0.00 C ATOM 814 OE1 GLU A 58 5.707 5.271 0.491 1.00 0.00 O ATOM 815 OE2 GLU A 58 5.090 4.432 2.460 1.00 0.00 O ATOM 0 H GLU A 58 1.123 6.130 0.390 1.00 0.00 H new ATOM 0 HA GLU A 58 0.943 3.320 -0.450 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.302 3.230 0.279 1.00 0.00 H new ATOM 0 HB3 GLU A 58 3.031 4.449 -0.950 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.310 6.234 0.549 1.00 0.00 H new ATOM 0 HG3 GLU A 58 2.806 5.292 1.938 1.00 0.00 H new ATOM 822 N TRP A 59 0.746 2.222 1.753 1.00 0.00 N ATOM 823 CA TRP A 59 0.423 1.589 3.020 1.00 0.00 C ATOM 824 C TRP A 59 0.831 0.118 2.932 1.00 0.00 C ATOM 825 O TRP A 59 0.732 -0.495 1.870 1.00 0.00 O ATOM 826 CB TRP A 59 -1.055 1.780 3.367 1.00 0.00 C ATOM 827 CG TRP A 59 -1.548 0.882 4.505 1.00 0.00 C ATOM 828 CD1 TRP A 59 -2.089 -0.339 4.416 1.00 0.00 C ATOM 829 CD2 TRP A 59 -1.522 1.191 5.915 1.00 0.00 C ATOM 830 NE1 TRP A 59 -2.414 -0.840 5.660 1.00 0.00 N ATOM 831 CE2 TRP A 59 -2.058 0.120 6.601 1.00 0.00 C ATOM 832 CE3 TRP A 59 -1.062 2.336 6.587 1.00 0.00 C ATOM 833 CZ2 TRP A 59 -2.183 0.088 7.994 1.00 0.00 C ATOM 834 CZ3 TRP A 59 -1.195 2.288 7.981 1.00 0.00 C ATOM 835 CH2 TRP A 59 -1.732 1.217 8.686 1.00 0.00 C ATOM 0 H TRP A 59 0.776 1.588 0.955 1.00 0.00 H new ATOM 0 HA TRP A 59 0.976 2.055 3.836 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -1.222 2.822 3.642 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -1.655 1.585 2.478 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -2.251 -0.866 3.487 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -2.837 -1.748 5.854 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -0.640 3.185 6.070 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -2.605 -0.763 8.508 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -0.857 3.143 8.547 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -1.801 1.256 9.763 1.00 0.00 H new ATOM 846 N PRO A 60 1.295 -0.421 4.092 1.00 0.00 N ATOM 847 CA PRO A 60 1.719 -1.809 4.155 1.00 0.00 C ATOM 848 C PRO A 60 0.514 -2.751 4.159 1.00 0.00 C ATOM 849 O PRO A 60 -0.552 -2.400 4.664 1.00 0.00 O ATOM 850 CB PRO A 60 2.554 -1.908 5.422 1.00 0.00 C ATOM 851 CG PRO A 60 2.183 -0.695 6.261 1.00 0.00 C ATOM 852 CD PRO A 60 1.426 0.275 5.368 1.00 0.00 C ATOM 0 HA PRO A 60 2.302 -2.110 3.285 1.00 0.00 H new ATOM 0 HB2 PRO A 60 2.342 -2.833 5.958 1.00 0.00 H new ATOM 0 HB3 PRO A 60 3.619 -1.911 5.189 1.00 0.00 H new ATOM 0 HG2 PRO A 60 1.568 -0.992 7.110 1.00 0.00 H new ATOM 0 HG3 PRO A 60 3.078 -0.222 6.666 1.00 0.00 H new ATOM 0 HD2 PRO A 60 0.450 0.520 5.787 1.00 0.00 H new ATOM 0 HD3 PRO A 60 1.969 1.213 5.253 1.00 0.00 H new ATOM 860 N ILE A 61 0.722 -3.929 3.590 1.00 0.00 N ATOM 861 CA ILE A 61 -0.335 -4.925 3.522 1.00 0.00 C ATOM 862 C ILE A 61 0.080 -6.157 4.326 1.00 0.00 C ATOM 863 O ILE A 61 1.112 -6.767 4.050 1.00 0.00 O ATOM 864 CB ILE A 61 -0.687 -5.232 2.065 1.00 0.00 C ATOM 865 CG1 ILE A 61 -1.978 -6.048 1.974 1.00 0.00 C ATOM 866 CG2 ILE A 61 0.477 -5.919 1.352 1.00 0.00 C ATOM 867 CD1 ILE A 61 -2.224 -6.529 0.542 1.00 0.00 C ATOM 0 H ILE A 61 1.607 -4.217 3.172 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.250 -4.542 3.974 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.866 -4.288 1.551 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.918 -6.906 2.644 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.820 -5.441 2.307 1.00 0.00 H new ATOM 0 HG21 ILE A 61 0.200 -6.126 0.318 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.350 -5.267 1.370 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.713 -6.855 1.859 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.148 -7.106 0.506 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.308 -5.668 -0.122 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.392 -7.155 0.221 1.00 0.00 H new ATOM 879 N LEU A 62 -0.747 -6.489 5.307 1.00 0.00 N ATOM 880 CA LEU A 62 -0.479 -7.640 6.155 1.00 0.00 C ATOM 881 C LEU A 62 -1.114 -8.884 5.532 1.00 0.00 C ATOM 882 O LEU A 62 -2.320 -8.919 5.296 1.00 0.00 O ATOM 883 CB LEU A 62 -0.939 -7.367 7.588 1.00 0.00 C ATOM 884 CG LEU A 62 -0.162 -6.289 8.347 1.00 0.00 C ATOM 885 CD1 LEU A 62 -0.935 -5.824 9.583 1.00 0.00 C ATOM 886 CD2 LEU A 62 1.245 -6.774 8.702 1.00 0.00 C ATOM 0 H LEU A 62 -1.602 -5.982 5.534 1.00 0.00 H new ATOM 0 HA LEU A 62 0.593 -7.826 6.219 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.990 -7.080 7.563 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.876 -8.297 8.152 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.050 -5.425 7.692 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.361 -5.058 10.104 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.896 -5.412 9.277 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.099 -6.671 10.249 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.775 -5.989 9.241 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.176 -7.662 9.330 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.787 -7.017 7.788 1.00 0.00 H new ATOM 898 N SER A 63 -0.272 -9.877 5.285 1.00 0.00 N ATOM 899 CA SER A 63 -0.735 -11.122 4.694 1.00 0.00 C ATOM 900 C SER A 63 -1.710 -11.821 5.644 1.00 0.00 C ATOM 901 O SER A 63 -2.315 -12.830 5.285 1.00 0.00 O ATOM 902 CB SER A 63 0.439 -12.045 4.364 1.00 0.00 C ATOM 903 OG SER A 63 0.408 -12.484 3.009 1.00 0.00 O ATOM 0 H SER A 63 0.728 -9.845 5.483 1.00 0.00 H new ATOM 0 HA SER A 63 -1.250 -10.888 3.762 1.00 0.00 H new ATOM 0 HB2 SER A 63 1.376 -11.522 4.554 1.00 0.00 H new ATOM 0 HB3 SER A 63 0.417 -12.911 5.026 1.00 0.00 H new ATOM 0 HG SER A 63 1.175 -13.070 2.837 1.00 0.00 H new ATOM 909 N SER A 64 -1.830 -11.258 6.837 1.00 0.00 N ATOM 910 CA SER A 64 -2.720 -11.815 7.842 1.00 0.00 C ATOM 911 C SER A 64 -4.101 -11.164 7.735 1.00 0.00 C ATOM 912 O SER A 64 -5.080 -11.688 8.264 1.00 0.00 O ATOM 913 CB SER A 64 -2.151 -11.624 9.248 1.00 0.00 C ATOM 914 OG SER A 64 -0.727 -11.580 9.247 1.00 0.00 O ATOM 0 H SER A 64 -1.326 -10.421 7.131 1.00 0.00 H new ATOM 0 HA SER A 64 -2.814 -12.886 7.660 1.00 0.00 H new ATOM 0 HB2 SER A 64 -2.542 -10.700 9.675 1.00 0.00 H new ATOM 0 HB3 SER A 64 -2.488 -12.439 9.889 1.00 0.00 H new ATOM 0 HG SER A 64 -0.403 -11.455 10.163 1.00 0.00 H new ATOM 920 N GLY A 65 -4.135 -10.031 7.049 1.00 0.00 N ATOM 921 CA GLY A 65 -5.379 -9.303 6.867 1.00 0.00 C ATOM 922 C GLY A 65 -5.654 -8.380 8.055 1.00 0.00 C ATOM 923 O GLY A 65 -6.801 -8.213 8.464 1.00 0.00 O ATOM 0 H GLY A 65 -3.321 -9.599 6.612 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -5.330 -8.716 5.950 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -6.203 -10.007 6.751 1.00 0.00 H new ATOM 927 N ASP A 66 -4.580 -7.804 8.576 1.00 0.00 N ATOM 928 CA ASP A 66 -4.690 -6.901 9.709 1.00 0.00 C ATOM 929 C ASP A 66 -4.373 -5.476 9.254 1.00 0.00 C ATOM 930 O ASP A 66 -4.271 -5.211 8.056 1.00 0.00 O ATOM 931 CB ASP A 66 -3.698 -7.277 10.811 1.00 0.00 C ATOM 932 CG ASP A 66 -3.937 -8.643 11.458 1.00 0.00 C ATOM 933 OD1 ASP A 66 -4.399 -9.545 10.726 1.00 0.00 O ATOM 934 OD2 ASP A 66 -3.653 -8.754 12.671 1.00 0.00 O ATOM 0 H ASP A 66 -3.629 -7.945 8.234 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.706 -6.971 10.098 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -2.691 -7.261 10.394 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.734 -6.513 11.587 1.00 0.00 H new ATOM 939 N VAL A 67 -4.226 -4.594 10.231 1.00 0.00 N ATOM 940 CA VAL A 67 -3.922 -3.203 9.946 1.00 0.00 C ATOM 941 C VAL A 67 -2.526 -2.871 10.477 1.00 0.00 C ATOM 942 O VAL A 67 -2.336 -2.725 11.684 1.00 0.00 O ATOM 943 CB VAL A 67 -5.013 -2.300 10.525 1.00 0.00 C ATOM 944 CG1 VAL A 67 -4.507 -0.866 10.689 1.00 0.00 C ATOM 945 CG2 VAL A 67 -6.275 -2.341 9.659 1.00 0.00 C ATOM 0 H VAL A 67 -4.312 -4.817 11.223 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.910 -3.027 8.870 1.00 0.00 H new ATOM 0 HB VAL A 67 -5.272 -2.679 11.514 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -5.302 -0.245 11.102 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.651 -0.857 11.364 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.207 -0.473 9.718 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.035 -1.691 10.092 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.036 -1.999 8.652 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -6.653 -3.362 9.615 1.00 0.00 H new ATOM 955 N TYR A 68 -1.587 -2.759 9.550 1.00 0.00 N ATOM 956 CA TYR A 68 -0.213 -2.446 9.910 1.00 0.00 C ATOM 957 C TYR A 68 -0.159 -1.287 10.908 1.00 0.00 C ATOM 958 O TYR A 68 -0.305 -0.127 10.525 1.00 0.00 O ATOM 959 CB TYR A 68 0.476 -2.020 8.613 1.00 0.00 C ATOM 960 CG TYR A 68 1.662 -1.076 8.820 1.00 0.00 C ATOM 961 CD1 TYR A 68 2.923 -1.592 9.044 1.00 0.00 C ATOM 962 CD2 TYR A 68 1.472 0.290 8.782 1.00 0.00 C ATOM 963 CE1 TYR A 68 4.040 -0.703 9.238 1.00 0.00 C ATOM 964 CE2 TYR A 68 2.589 1.178 8.977 1.00 0.00 C ATOM 965 CZ TYR A 68 3.817 0.637 9.195 1.00 0.00 C ATOM 966 OH TYR A 68 4.873 1.476 9.380 1.00 0.00 O ATOM 0 H TYR A 68 -1.749 -2.879 8.550 1.00 0.00 H new ATOM 0 HA TYR A 68 0.268 -3.306 10.375 1.00 0.00 H new ATOM 0 HB2 TYR A 68 0.821 -2.910 8.087 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -0.255 -1.532 7.968 1.00 0.00 H new ATOM 0 HD1 TYR A 68 3.072 -2.661 9.074 1.00 0.00 H new ATOM 0 HD2 TYR A 68 0.486 0.693 8.606 1.00 0.00 H new ATOM 0 HE1 TYR A 68 5.032 -1.093 9.414 1.00 0.00 H new ATOM 0 HE2 TYR A 68 2.454 2.249 8.951 1.00 0.00 H new ATOM 0 HH TYR A 68 4.567 2.405 9.322 1.00 0.00 H new ATOM 976 N SER A 69 0.052 -1.641 12.167 1.00 0.00 N ATOM 977 CA SER A 69 0.128 -0.644 13.222 1.00 0.00 C ATOM 978 C SER A 69 1.527 -0.643 13.840 1.00 0.00 C ATOM 979 O SER A 69 1.670 -0.592 15.061 1.00 0.00 O ATOM 980 CB SER A 69 -0.929 -0.901 14.298 1.00 0.00 C ATOM 981 OG SER A 69 -0.826 -2.212 14.845 1.00 0.00 O ATOM 0 H SER A 69 0.173 -2.604 12.481 1.00 0.00 H new ATOM 0 HA SER A 69 -0.069 0.335 12.784 1.00 0.00 H new ATOM 0 HB2 SER A 69 -0.821 -0.166 15.096 1.00 0.00 H new ATOM 0 HB3 SER A 69 -1.922 -0.764 13.871 1.00 0.00 H new ATOM 0 HG SER A 69 -1.517 -2.336 15.529 1.00 0.00 H new ATOM 987 N GLY A 70 2.524 -0.701 12.970 1.00 0.00 N ATOM 988 CA GLY A 70 3.907 -0.706 13.416 1.00 0.00 C ATOM 989 C GLY A 70 4.837 -0.172 12.325 1.00 0.00 C ATOM 990 O GLY A 70 4.780 -0.621 11.181 1.00 0.00 O ATOM 0 H GLY A 70 2.402 -0.745 11.958 1.00 0.00 H new ATOM 0 HA2 GLY A 70 4.006 -0.096 14.314 1.00 0.00 H new ATOM 0 HA3 GLY A 70 4.202 -1.720 13.686 1.00 0.00 H new ATOM 994 N GLY A 71 5.672 0.778 12.718 1.00 0.00 N ATOM 995 CA GLY A 71 6.614 1.378 11.788 1.00 0.00 C ATOM 996 C GLY A 71 7.406 0.304 11.040 1.00 0.00 C ATOM 997 O GLY A 71 8.147 0.610 10.106 1.00 0.00 O ATOM 0 H GLY A 71 5.716 1.147 13.668 1.00 0.00 H new ATOM 0 HA2 GLY A 71 6.077 2.003 11.074 1.00 0.00 H new ATOM 0 HA3 GLY A 71 7.300 2.030 12.329 1.00 0.00 H new ATOM 1001 N SER A 72 7.224 -0.933 11.479 1.00 0.00 N ATOM 1002 CA SER A 72 7.912 -2.055 10.862 1.00 0.00 C ATOM 1003 C SER A 72 6.902 -2.975 10.176 1.00 0.00 C ATOM 1004 O SER A 72 6.494 -3.988 10.743 1.00 0.00 O ATOM 1005 CB SER A 72 8.727 -2.836 11.895 1.00 0.00 C ATOM 1006 OG SER A 72 7.893 -3.503 12.839 1.00 0.00 O ATOM 0 H SER A 72 6.610 -1.183 12.254 1.00 0.00 H new ATOM 0 HA SER A 72 8.603 -1.664 10.115 1.00 0.00 H new ATOM 0 HB2 SER A 72 9.354 -3.567 11.385 1.00 0.00 H new ATOM 0 HB3 SER A 72 9.396 -2.154 12.420 1.00 0.00 H new ATOM 0 HG SER A 72 7.251 -4.071 12.364 1.00 0.00 H new ATOM 1012 N PRO A 73 6.517 -2.582 8.932 1.00 0.00 N ATOM 1013 CA PRO A 73 5.562 -3.360 8.163 1.00 0.00 C ATOM 1014 C PRO A 73 6.213 -4.624 7.598 1.00 0.00 C ATOM 1015 O PRO A 73 5.804 -5.738 7.926 1.00 0.00 O ATOM 1016 CB PRO A 73 5.064 -2.416 7.081 1.00 0.00 C ATOM 1017 CG PRO A 73 6.092 -1.300 6.997 1.00 0.00 C ATOM 1018 CD PRO A 73 6.978 -1.389 8.229 1.00 0.00 C ATOM 0 HA PRO A 73 4.732 -3.723 8.769 1.00 0.00 H new ATOM 0 HB2 PRO A 73 4.969 -2.932 6.126 1.00 0.00 H new ATOM 0 HB3 PRO A 73 4.079 -2.022 7.330 1.00 0.00 H new ATOM 0 HG2 PRO A 73 6.688 -1.398 6.090 1.00 0.00 H new ATOM 0 HG3 PRO A 73 5.599 -0.329 6.951 1.00 0.00 H new ATOM 0 HD2 PRO A 73 8.030 -1.472 7.955 1.00 0.00 H new ATOM 0 HD3 PRO A 73 6.880 -0.500 8.852 1.00 0.00 H new ATOM 1026 N GLY A 74 7.217 -4.411 6.760 1.00 0.00 N ATOM 1027 CA GLY A 74 7.929 -5.519 6.146 1.00 0.00 C ATOM 1028 C GLY A 74 8.374 -5.165 4.726 1.00 0.00 C ATOM 1029 O GLY A 74 9.284 -4.360 4.539 1.00 0.00 O ATOM 0 H GLY A 74 7.555 -3.487 6.492 1.00 0.00 H new ATOM 0 HA2 GLY A 74 8.799 -5.776 6.750 1.00 0.00 H new ATOM 0 HA3 GLY A 74 7.287 -6.399 6.121 1.00 0.00 H new ATOM 1033 N ALA A 75 7.711 -5.786 3.761 1.00 0.00 N ATOM 1034 CA ALA A 75 8.027 -5.548 2.363 1.00 0.00 C ATOM 1035 C ALA A 75 6.735 -5.275 1.592 1.00 0.00 C ATOM 1036 O ALA A 75 6.674 -4.353 0.779 1.00 0.00 O ATOM 1037 CB ALA A 75 8.800 -6.744 1.802 1.00 0.00 C ATOM 0 H ALA A 75 6.956 -6.454 3.920 1.00 0.00 H new ATOM 0 HA ALA A 75 8.665 -4.670 2.258 1.00 0.00 H new ATOM 0 HB1 ALA A 75 9.037 -6.565 0.753 1.00 0.00 H new ATOM 0 HB2 ALA A 75 9.724 -6.877 2.365 1.00 0.00 H new ATOM 0 HB3 ALA A 75 8.191 -7.644 1.888 1.00 0.00 H new ATOM 1043 N ASP A 76 5.731 -6.093 1.873 1.00 0.00 N ATOM 1044 CA ASP A 76 4.442 -5.952 1.216 1.00 0.00 C ATOM 1045 C ASP A 76 3.842 -4.590 1.569 1.00 0.00 C ATOM 1046 O ASP A 76 3.823 -4.200 2.736 1.00 0.00 O ATOM 1047 CB ASP A 76 3.466 -7.034 1.680 1.00 0.00 C ATOM 1048 CG ASP A 76 4.026 -8.458 1.669 1.00 0.00 C ATOM 1049 OD1 ASP A 76 4.731 -8.783 0.689 1.00 0.00 O ATOM 1050 OD2 ASP A 76 3.735 -9.190 2.640 1.00 0.00 O ATOM 0 H ASP A 76 5.784 -6.856 2.547 1.00 0.00 H new ATOM 0 HA ASP A 76 4.599 -6.046 0.141 1.00 0.00 H new ATOM 0 HB2 ASP A 76 3.138 -6.796 2.692 1.00 0.00 H new ATOM 0 HB3 ASP A 76 2.582 -7.002 1.043 1.00 0.00 H new ATOM 1055 N ARG A 77 3.366 -3.904 0.540 1.00 0.00 N ATOM 1056 CA ARG A 77 2.767 -2.594 0.727 1.00 0.00 C ATOM 1057 C ARG A 77 1.698 -2.343 -0.339 1.00 0.00 C ATOM 1058 O ARG A 77 1.840 -2.779 -1.479 1.00 0.00 O ATOM 1059 CB ARG A 77 3.822 -1.489 0.652 1.00 0.00 C ATOM 1060 CG ARG A 77 5.085 -1.884 1.420 1.00 0.00 C ATOM 1061 CD ARG A 77 5.094 -1.260 2.818 1.00 0.00 C ATOM 1062 NE ARG A 77 6.474 -1.234 3.351 1.00 0.00 N ATOM 1063 CZ ARG A 77 7.000 -2.194 4.125 1.00 0.00 C ATOM 1064 NH1 ARG A 77 6.262 -3.261 4.461 1.00 0.00 N ATOM 1065 NH2 ARG A 77 8.261 -2.086 4.564 1.00 0.00 N ATOM 0 H ARG A 77 3.383 -4.231 -0.426 1.00 0.00 H new ATOM 0 HA ARG A 77 2.310 -2.577 1.717 1.00 0.00 H new ATOM 0 HB2 ARG A 77 4.073 -1.291 -0.390 1.00 0.00 H new ATOM 0 HB3 ARG A 77 3.416 -0.565 1.063 1.00 0.00 H new ATOM 0 HG2 ARG A 77 5.141 -2.969 1.502 1.00 0.00 H new ATOM 0 HG3 ARG A 77 5.967 -1.560 0.868 1.00 0.00 H new ATOM 0 HD2 ARG A 77 4.692 -0.248 2.776 1.00 0.00 H new ATOM 0 HD3 ARG A 77 4.448 -1.832 3.485 1.00 0.00 H new ATOM 0 HE ARG A 77 7.062 -0.435 3.115 1.00 0.00 H new ATOM 0 HH11 ARG A 77 5.301 -3.342 4.128 1.00 0.00 H new ATOM 0 HH12 ARG A 77 6.661 -3.992 5.050 1.00 0.00 H new ATOM 0 HH21 ARG A 77 8.822 -1.273 4.309 1.00 0.00 H new ATOM 0 HH22 ARG A 77 8.660 -2.817 5.153 1.00 0.00 H new ATOM 1079 N VAL A 78 0.653 -1.637 0.071 1.00 0.00 N ATOM 1080 CA VAL A 78 -0.438 -1.322 -0.834 1.00 0.00 C ATOM 1081 C VAL A 78 -0.507 0.192 -1.036 1.00 0.00 C ATOM 1082 O VAL A 78 -0.393 0.956 -0.077 1.00 0.00 O ATOM 1083 CB VAL A 78 -1.746 -1.916 -0.305 1.00 0.00 C ATOM 1084 CG1 VAL A 78 -1.765 -1.920 1.225 1.00 0.00 C ATOM 1085 CG2 VAL A 78 -2.955 -1.166 -0.867 1.00 0.00 C ATOM 0 H VAL A 78 0.540 -1.275 1.018 1.00 0.00 H new ATOM 0 HA VAL A 78 -0.265 -1.772 -1.812 1.00 0.00 H new ATOM 0 HB VAL A 78 -1.807 -2.950 -0.644 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -2.705 -2.347 1.576 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -0.933 -2.518 1.598 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -1.671 -0.898 1.593 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.871 -1.608 -0.476 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -2.903 -0.118 -0.572 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.954 -1.237 -1.955 1.00 0.00 H new ATOM 1095 N VAL A 79 -0.693 0.583 -2.288 1.00 0.00 N ATOM 1096 CA VAL A 79 -0.778 1.994 -2.627 1.00 0.00 C ATOM 1097 C VAL A 79 -2.204 2.321 -3.073 1.00 0.00 C ATOM 1098 O VAL A 79 -2.807 1.571 -3.839 1.00 0.00 O ATOM 1099 CB VAL A 79 0.274 2.343 -3.683 1.00 0.00 C ATOM 1100 CG1 VAL A 79 0.076 3.768 -4.203 1.00 0.00 C ATOM 1101 CG2 VAL A 79 1.687 2.151 -3.133 1.00 0.00 C ATOM 0 H VAL A 79 -0.787 -0.052 -3.080 1.00 0.00 H new ATOM 0 HA VAL A 79 -0.560 2.611 -1.755 1.00 0.00 H new ATOM 0 HB VAL A 79 0.146 1.659 -4.522 1.00 0.00 H new ATOM 0 HG11 VAL A 79 0.836 3.991 -4.952 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.913 3.857 -4.652 1.00 0.00 H new ATOM 0 HG13 VAL A 79 0.164 4.473 -3.376 1.00 0.00 H new ATOM 0 HG21 VAL A 79 2.415 2.406 -3.903 1.00 0.00 H new ATOM 0 HG22 VAL A 79 1.832 2.799 -2.268 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.823 1.112 -2.835 1.00 0.00 H new ATOM 1111 N PHE A 80 -2.703 3.443 -2.574 1.00 0.00 N ATOM 1112 CA PHE A 80 -4.047 3.879 -2.911 1.00 0.00 C ATOM 1113 C PHE A 80 -4.128 5.405 -2.980 1.00 0.00 C ATOM 1114 O PHE A 80 -3.106 6.080 -3.092 1.00 0.00 O ATOM 1115 CB PHE A 80 -4.972 3.382 -1.797 1.00 0.00 C ATOM 1116 CG PHE A 80 -4.751 4.072 -0.451 1.00 0.00 C ATOM 1117 CD1 PHE A 80 -3.591 3.877 0.232 1.00 0.00 C ATOM 1118 CD2 PHE A 80 -5.716 4.881 0.065 1.00 0.00 C ATOM 1119 CE1 PHE A 80 -3.386 4.519 1.482 1.00 0.00 C ATOM 1120 CE2 PHE A 80 -5.511 5.523 1.315 1.00 0.00 C ATOM 1121 CZ PHE A 80 -4.351 5.328 1.998 1.00 0.00 C ATOM 0 H PHE A 80 -2.200 4.063 -1.939 1.00 0.00 H new ATOM 0 HA PHE A 80 -4.333 3.482 -3.885 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -6.007 3.531 -2.105 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -4.828 2.309 -1.671 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -2.826 3.234 -0.176 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -6.638 5.035 -0.476 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -2.464 4.365 2.023 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -6.276 6.166 1.723 1.00 0.00 H new ATOM 0 HZ PHE A 80 -4.196 5.815 2.949 1.00 0.00 H new ATOM 1131 N ASN A 81 -5.353 5.906 -2.909 1.00 0.00 N ATOM 1132 CA ASN A 81 -5.580 7.340 -2.962 1.00 0.00 C ATOM 1133 C ASN A 81 -6.606 7.729 -1.895 1.00 0.00 C ATOM 1134 O ASN A 81 -6.984 6.906 -1.063 1.00 0.00 O ATOM 1135 CB ASN A 81 -6.133 7.759 -4.325 1.00 0.00 C ATOM 1136 CG ASN A 81 -5.762 6.741 -5.404 1.00 0.00 C ATOM 1137 OD1 ASN A 81 -4.911 6.974 -6.247 1.00 0.00 O ATOM 1138 ND2 ASN A 81 -6.446 5.603 -5.333 1.00 0.00 N ATOM 0 H ASN A 81 -6.199 5.344 -2.815 1.00 0.00 H new ATOM 0 HA ASN A 81 -4.627 7.840 -2.790 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -7.217 7.854 -4.268 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -5.741 8.739 -4.595 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -6.272 4.860 -6.010 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -7.145 5.473 -4.602 1.00 0.00 H new ATOM 1145 N GLU A 82 -7.026 8.984 -1.954 1.00 0.00 N ATOM 1146 CA GLU A 82 -8.000 9.493 -1.004 1.00 0.00 C ATOM 1147 C GLU A 82 -9.421 9.230 -1.508 1.00 0.00 C ATOM 1148 O GLU A 82 -10.376 9.843 -1.032 1.00 0.00 O ATOM 1149 CB GLU A 82 -7.779 10.983 -0.736 1.00 0.00 C ATOM 1150 CG GLU A 82 -8.259 11.366 0.665 1.00 0.00 C ATOM 1151 CD GLU A 82 -7.989 12.843 0.953 1.00 0.00 C ATOM 1152 OE1 GLU A 82 -6.794 13.209 0.969 1.00 0.00 O ATOM 1153 OE2 GLU A 82 -8.983 13.574 1.149 1.00 0.00 O ATOM 0 H GLU A 82 -6.709 9.664 -2.645 1.00 0.00 H new ATOM 0 HA GLU A 82 -7.867 8.965 -0.060 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -6.720 11.221 -0.839 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -8.313 11.573 -1.481 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -9.326 11.164 0.755 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -7.753 10.749 1.408 1.00 0.00 H new ATOM 1160 N ASN A 83 -9.516 8.319 -2.466 1.00 0.00 N ATOM 1161 CA ASN A 83 -10.804 7.969 -3.039 1.00 0.00 C ATOM 1162 C ASN A 83 -11.200 6.566 -2.574 1.00 0.00 C ATOM 1163 O ASN A 83 -12.380 6.219 -2.571 1.00 0.00 O ATOM 1164 CB ASN A 83 -10.741 7.961 -4.568 1.00 0.00 C ATOM 1165 CG ASN A 83 -9.293 7.942 -5.057 1.00 0.00 C ATOM 1166 OD1 ASN A 83 -8.809 6.721 -5.269 1.00 0.00 O flip ATOM 1167 ND2 ASN A 83 -8.656 8.968 -5.232 1.00 0.00 N flip ATOM 0 H ASN A 83 -8.722 7.813 -2.859 1.00 0.00 H new ATOM 0 HA ASN A 83 -11.533 8.711 -2.712 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -11.270 7.089 -4.953 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -11.250 8.841 -4.961 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -9.088 9.874 -5.050 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -7.691 8.920 -5.560 1.00 0.00 H new ATOM 1174 N ASN A 84 -10.190 5.797 -2.194 1.00 0.00 N ATOM 1175 CA ASN A 84 -10.418 4.439 -1.728 1.00 0.00 C ATOM 1176 C ASN A 84 -10.022 3.454 -2.829 1.00 0.00 C ATOM 1177 O ASN A 84 -10.510 2.325 -2.864 1.00 0.00 O ATOM 1178 CB ASN A 84 -11.895 4.210 -1.399 1.00 0.00 C ATOM 1179 CG ASN A 84 -12.682 3.822 -2.652 1.00 0.00 C ATOM 1180 OD1 ASN A 84 -12.152 4.274 -3.785 1.00 0.00 O flip ATOM 1181 ND2 ASN A 84 -13.704 3.157 -2.594 1.00 0.00 N flip ATOM 0 H ASN A 84 -9.212 6.088 -2.199 1.00 0.00 H new ATOM 0 HA ASN A 84 -9.820 4.286 -0.830 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -11.987 3.424 -0.650 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -12.319 5.115 -0.965 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -14.057 2.842 -1.690 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -14.205 2.917 -3.449 1.00 0.00 H new ATOM 1188 N GLN A 85 -9.138 3.916 -3.703 1.00 0.00 N ATOM 1189 CA GLN A 85 -8.670 3.089 -4.802 1.00 0.00 C ATOM 1190 C GLN A 85 -7.232 2.633 -4.547 1.00 0.00 C ATOM 1191 O GLN A 85 -6.380 3.435 -4.169 1.00 0.00 O ATOM 1192 CB GLN A 85 -8.781 3.834 -6.134 1.00 0.00 C ATOM 1193 CG GLN A 85 -10.238 4.178 -6.449 1.00 0.00 C ATOM 1194 CD GLN A 85 -10.330 5.126 -7.647 1.00 0.00 C ATOM 1195 OE1 GLN A 85 -10.959 4.840 -8.652 1.00 0.00 O ATOM 1196 NE2 GLN A 85 -9.669 6.270 -7.484 1.00 0.00 N ATOM 0 H GLN A 85 -8.734 4.852 -3.672 1.00 0.00 H new ATOM 0 HA GLN A 85 -9.305 2.206 -4.863 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -8.188 4.748 -6.094 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -8.367 3.220 -6.934 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -10.794 3.264 -6.660 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -10.703 4.640 -5.578 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -9.162 6.447 -6.617 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -9.670 6.970 -8.226 1.00 0.00 H new ATOM 1205 N LEU A 86 -7.007 1.345 -4.766 1.00 0.00 N ATOM 1206 CA LEU A 86 -5.687 0.772 -4.564 1.00 0.00 C ATOM 1207 C LEU A 86 -4.849 0.975 -5.828 1.00 0.00 C ATOM 1208 O LEU A 86 -5.309 0.695 -6.934 1.00 0.00 O ATOM 1209 CB LEU A 86 -5.799 -0.691 -4.130 1.00 0.00 C ATOM 1210 CG LEU A 86 -5.291 -1.730 -5.132 1.00 0.00 C ATOM 1211 CD1 LEU A 86 -4.205 -2.608 -4.508 1.00 0.00 C ATOM 1212 CD2 LEU A 86 -6.447 -2.559 -5.694 1.00 0.00 C ATOM 0 H LEU A 86 -7.716 0.683 -5.081 1.00 0.00 H new ATOM 0 HA LEU A 86 -5.170 1.283 -3.752 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -5.249 -0.816 -3.197 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -6.845 -0.906 -3.914 1.00 0.00 H new ATOM 0 HG LEU A 86 -4.835 -1.203 -5.970 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.861 -3.338 -5.241 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -3.367 -1.984 -4.197 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -4.612 -3.129 -3.641 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -6.059 -3.290 -6.404 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -6.953 -3.077 -4.879 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -7.154 -1.902 -6.200 1.00 0.00 H new ATOM 1224 N ALA A 87 -3.634 1.462 -5.623 1.00 0.00 N ATOM 1225 CA ALA A 87 -2.728 1.706 -6.732 1.00 0.00 C ATOM 1226 C ALA A 87 -2.222 0.369 -7.276 1.00 0.00 C ATOM 1227 O ALA A 87 -2.136 0.180 -8.489 1.00 0.00 O ATOM 1228 CB ALA A 87 -1.588 2.617 -6.270 1.00 0.00 C ATOM 0 H ALA A 87 -3.256 1.694 -4.705 1.00 0.00 H new ATOM 0 HA ALA A 87 -3.245 2.217 -7.544 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -0.908 2.800 -7.102 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -1.998 3.565 -5.921 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -1.045 2.136 -5.457 1.00 0.00 H new ATOM 1234 N GLY A 88 -1.903 -0.526 -6.353 1.00 0.00 N ATOM 1235 CA GLY A 88 -1.408 -1.841 -6.724 1.00 0.00 C ATOM 1236 C GLY A 88 -0.928 -2.614 -5.495 1.00 0.00 C ATOM 1237 O GLY A 88 -1.521 -2.513 -4.422 1.00 0.00 O ATOM 0 H GLY A 88 -1.978 -0.366 -5.348 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -2.197 -2.402 -7.225 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -0.589 -1.737 -7.435 1.00 0.00 H new ATOM 1241 N VAL A 89 0.143 -3.369 -5.692 1.00 0.00 N ATOM 1242 CA VAL A 89 0.711 -4.158 -4.612 1.00 0.00 C ATOM 1243 C VAL A 89 2.233 -4.190 -4.754 1.00 0.00 C ATOM 1244 O VAL A 89 2.781 -5.062 -5.426 1.00 0.00 O ATOM 1245 CB VAL A 89 0.083 -5.554 -4.598 1.00 0.00 C ATOM 1246 CG1 VAL A 89 0.748 -6.444 -3.547 1.00 0.00 C ATOM 1247 CG2 VAL A 89 -1.427 -5.473 -4.372 1.00 0.00 C ATOM 0 H VAL A 89 0.632 -3.451 -6.583 1.00 0.00 H new ATOM 0 HA VAL A 89 0.484 -3.703 -3.648 1.00 0.00 H new ATOM 0 HB VAL A 89 0.252 -6.007 -5.575 1.00 0.00 H new ATOM 0 HG11 VAL A 89 0.283 -7.430 -3.558 1.00 0.00 H new ATOM 0 HG12 VAL A 89 1.810 -6.541 -3.772 1.00 0.00 H new ATOM 0 HG13 VAL A 89 0.625 -5.996 -2.561 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -1.849 -6.478 -4.366 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -1.626 -4.991 -3.415 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -1.884 -4.892 -5.173 1.00 0.00 H new ATOM 1257 N ILE A 90 2.876 -3.226 -4.109 1.00 0.00 N ATOM 1258 CA ILE A 90 4.325 -3.132 -4.156 1.00 0.00 C ATOM 1259 C ILE A 90 4.924 -4.002 -3.048 1.00 0.00 C ATOM 1260 O ILE A 90 4.214 -4.432 -2.141 1.00 0.00 O ATOM 1261 CB ILE A 90 4.770 -1.670 -4.097 1.00 0.00 C ATOM 1262 CG1 ILE A 90 4.648 -1.116 -2.676 1.00 0.00 C ATOM 1263 CG2 ILE A 90 3.999 -0.821 -5.111 1.00 0.00 C ATOM 1264 CD1 ILE A 90 4.119 0.320 -2.690 1.00 0.00 C ATOM 0 H ILE A 90 2.420 -2.504 -3.552 1.00 0.00 H new ATOM 0 HA ILE A 90 4.701 -3.517 -5.104 1.00 0.00 H new ATOM 0 HB ILE A 90 5.824 -1.623 -4.372 1.00 0.00 H new ATOM 0 HG12 ILE A 90 3.979 -1.748 -2.092 1.00 0.00 H new ATOM 0 HG13 ILE A 90 5.621 -1.144 -2.186 1.00 0.00 H new ATOM 0 HG21 ILE A 90 4.334 0.214 -5.049 1.00 0.00 H new ATOM 0 HG22 ILE A 90 4.180 -1.201 -6.116 1.00 0.00 H new ATOM 0 HG23 ILE A 90 2.933 -0.871 -4.891 1.00 0.00 H new ATOM 0 HD11 ILE A 90 4.042 0.689 -1.667 1.00 0.00 H new ATOM 0 HD12 ILE A 90 4.803 0.954 -3.254 1.00 0.00 H new ATOM 0 HD13 ILE A 90 3.135 0.341 -3.158 1.00 0.00 H new ATOM 1276 N THR A 91 6.224 -4.234 -3.159 1.00 0.00 N ATOM 1277 CA THR A 91 6.925 -5.044 -2.178 1.00 0.00 C ATOM 1278 C THR A 91 8.435 -4.819 -2.283 1.00 0.00 C ATOM 1279 O THR A 91 8.942 -4.464 -3.346 1.00 0.00 O ATOM 1280 CB THR A 91 6.513 -6.502 -2.387 1.00 0.00 C ATOM 1281 OG1 THR A 91 7.621 -7.251 -1.894 1.00 0.00 O ATOM 1282 CG2 THR A 91 6.436 -6.882 -3.868 1.00 0.00 C ATOM 0 H THR A 91 6.810 -3.875 -3.913 1.00 0.00 H new ATOM 0 HA THR A 91 6.654 -4.757 -1.162 1.00 0.00 H new ATOM 0 HB THR A 91 5.546 -6.676 -1.916 1.00 0.00 H new ATOM 0 HG1 THR A 91 7.806 -7.999 -2.500 1.00 0.00 H new ATOM 0 HG21 THR A 91 6.140 -7.927 -3.961 1.00 0.00 H new ATOM 0 HG22 THR A 91 5.701 -6.251 -4.368 1.00 0.00 H new ATOM 0 HG23 THR A 91 7.412 -6.739 -4.331 1.00 0.00 H new ATOM 1290 N HIS A 92 9.112 -5.034 -1.164 1.00 0.00 N ATOM 1291 CA HIS A 92 10.554 -4.858 -1.116 1.00 0.00 C ATOM 1292 C HIS A 92 11.238 -6.047 -1.792 1.00 0.00 C ATOM 1293 O HIS A 92 12.446 -6.234 -1.653 1.00 0.00 O ATOM 1294 CB HIS A 92 11.027 -4.639 0.322 1.00 0.00 C ATOM 1295 CG HIS A 92 10.783 -3.244 0.844 1.00 0.00 C ATOM 1296 ND1 HIS A 92 11.664 -2.596 1.692 1.00 0.00 N ATOM 1297 CD2 HIS A 92 9.751 -2.379 0.628 1.00 0.00 C ATOM 1298 CE1 HIS A 92 11.173 -1.396 1.969 1.00 0.00 C ATOM 1299 NE2 HIS A 92 9.987 -1.265 1.308 1.00 0.00 N ATOM 0 H HIS A 92 8.689 -5.328 -0.284 1.00 0.00 H new ATOM 0 HA HIS A 92 10.834 -3.961 -1.668 1.00 0.00 H new ATOM 0 HB2 HIS A 92 10.521 -5.353 0.972 1.00 0.00 H new ATOM 0 HB3 HIS A 92 12.094 -4.856 0.380 1.00 0.00 H new ATOM 0 HD2 HIS A 92 8.887 -2.569 0.008 1.00 0.00 H new ATOM 0 HE1 HIS A 92 11.631 -0.653 2.606 1.00 0.00 H new ATOM 0 HE2 HIS A 92 9.381 -0.445 1.333 1.00 0.00 H new ATOM 1308 N THR A 93 10.437 -6.823 -2.508 1.00 0.00 N ATOM 1309 CA THR A 93 10.950 -7.990 -3.205 1.00 0.00 C ATOM 1310 C THR A 93 12.208 -7.627 -3.996 1.00 0.00 C ATOM 1311 O THR A 93 12.125 -7.266 -5.169 1.00 0.00 O ATOM 1312 CB THR A 93 9.825 -8.553 -4.076 1.00 0.00 C ATOM 1313 OG1 THR A 93 9.187 -9.514 -3.240 1.00 0.00 O ATOM 1314 CG2 THR A 93 10.352 -9.375 -5.253 1.00 0.00 C ATOM 0 H THR A 93 9.435 -6.666 -2.620 1.00 0.00 H new ATOM 0 HA THR A 93 11.257 -8.767 -2.505 1.00 0.00 H new ATOM 0 HB THR A 93 9.212 -7.734 -4.451 1.00 0.00 H new ATOM 0 HG1 THR A 93 8.443 -9.927 -3.726 1.00 0.00 H new ATOM 0 HG21 THR A 93 9.513 -9.751 -5.839 1.00 0.00 H new ATOM 0 HG22 THR A 93 10.981 -8.746 -5.883 1.00 0.00 H new ATOM 0 HG23 THR A 93 10.938 -10.214 -4.877 1.00 0.00 H new ATOM 1322 N GLY A 94 13.344 -7.737 -3.323 1.00 0.00 N ATOM 1323 CA GLY A 94 14.618 -7.425 -3.948 1.00 0.00 C ATOM 1324 C GLY A 94 14.462 -6.307 -4.982 1.00 0.00 C ATOM 1325 O GLY A 94 15.049 -6.368 -6.061 1.00 0.00 O ATOM 0 H GLY A 94 13.409 -8.038 -2.351 1.00 0.00 H new ATOM 0 HA2 GLY A 94 15.337 -7.123 -3.186 1.00 0.00 H new ATOM 0 HA3 GLY A 94 15.019 -8.317 -4.429 1.00 0.00 H new ATOM 1329 N ALA A 95 13.669 -5.311 -4.613 1.00 0.00 N ATOM 1330 CA ALA A 95 13.429 -4.181 -5.495 1.00 0.00 C ATOM 1331 C ALA A 95 14.759 -3.495 -5.811 1.00 0.00 C ATOM 1332 O ALA A 95 14.830 -2.650 -6.702 1.00 0.00 O ATOM 1333 CB ALA A 95 12.423 -3.230 -4.844 1.00 0.00 C ATOM 0 H ALA A 95 13.185 -5.263 -3.716 1.00 0.00 H new ATOM 0 HA ALA A 95 12.998 -4.515 -6.439 1.00 0.00 H new ATOM 0 HB1 ALA A 95 12.243 -2.382 -5.505 1.00 0.00 H new ATOM 0 HB2 ALA A 95 11.486 -3.758 -4.667 1.00 0.00 H new ATOM 0 HB3 ALA A 95 12.823 -2.871 -3.895 1.00 0.00 H new ATOM 1339 N SER A 96 15.782 -3.884 -5.063 1.00 0.00 N ATOM 1340 CA SER A 96 17.106 -3.316 -5.251 1.00 0.00 C ATOM 1341 C SER A 96 17.352 -2.208 -4.225 1.00 0.00 C ATOM 1342 O SER A 96 17.827 -1.129 -4.574 1.00 0.00 O ATOM 1343 CB SER A 96 17.274 -2.771 -6.671 1.00 0.00 C ATOM 1344 OG SER A 96 18.645 -2.685 -7.051 1.00 0.00 O ATOM 0 H SER A 96 15.720 -4.586 -4.326 1.00 0.00 H new ATOM 0 HA SER A 96 17.841 -4.107 -5.104 1.00 0.00 H new ATOM 0 HB2 SER A 96 16.743 -3.415 -7.372 1.00 0.00 H new ATOM 0 HB3 SER A 96 16.817 -1.784 -6.737 1.00 0.00 H new ATOM 0 HG SER A 96 18.710 -2.334 -7.964 1.00 0.00 H new ATOM 1350 N GLY A 97 17.017 -2.514 -2.980 1.00 0.00 N ATOM 1351 CA GLY A 97 17.195 -1.557 -1.901 1.00 0.00 C ATOM 1352 C GLY A 97 15.871 -1.283 -1.186 1.00 0.00 C ATOM 1353 O GLY A 97 15.165 -2.214 -0.800 1.00 0.00 O ATOM 0 H GLY A 97 16.623 -3.411 -2.695 1.00 0.00 H new ATOM 0 HA2 GLY A 97 17.925 -1.940 -1.188 1.00 0.00 H new ATOM 0 HA3 GLY A 97 17.597 -0.625 -2.299 1.00 0.00 H new ATOM 1357 N ASN A 98 15.573 -0.001 -1.032 1.00 0.00 N ATOM 1358 CA ASN A 98 14.345 0.406 -0.370 1.00 0.00 C ATOM 1359 C ASN A 98 13.270 0.682 -1.423 1.00 0.00 C ATOM 1360 O ASN A 98 12.171 1.125 -1.093 1.00 0.00 O ATOM 1361 CB ASN A 98 14.555 1.688 0.438 1.00 0.00 C ATOM 1362 CG ASN A 98 13.234 2.188 1.028 1.00 0.00 C ATOM 1363 OD1 ASN A 98 12.390 1.216 1.362 1.00 0.00 O flip ATOM 1364 ND2 ASN A 98 12.997 3.376 1.169 1.00 0.00 N flip ATOM 0 H ASN A 98 16.160 0.769 -1.354 1.00 0.00 H new ATOM 0 HA ASN A 98 14.041 -0.398 0.300 1.00 0.00 H new ATOM 0 HB2 ASN A 98 15.269 1.503 1.241 1.00 0.00 H new ATOM 0 HB3 ASN A 98 14.986 2.458 -0.201 1.00 0.00 H new ATOM 0 HD21 ASN A 98 13.690 4.071 0.891 1.00 0.00 H new ATOM 0 HD22 ASN A 98 12.106 3.675 1.565 1.00 0.00 H new ATOM 1371 N ASN A 99 13.625 0.408 -2.670 1.00 0.00 N ATOM 1372 CA ASN A 99 12.704 0.620 -3.775 1.00 0.00 C ATOM 1373 C ASN A 99 11.543 -0.371 -3.662 1.00 0.00 C ATOM 1374 O ASN A 99 11.643 -1.372 -2.954 1.00 0.00 O ATOM 1375 CB ASN A 99 13.395 0.389 -5.120 1.00 0.00 C ATOM 1376 CG ASN A 99 14.603 -0.537 -4.964 1.00 0.00 C ATOM 1377 OD1 ASN A 99 14.417 -1.528 -4.096 1.00 0.00 O flip ATOM 1378 ND2 ASN A 99 15.635 -0.365 -5.591 1.00 0.00 N flip ATOM 0 H ASN A 99 14.538 0.041 -2.940 1.00 0.00 H new ATOM 0 HA ASN A 99 12.348 1.649 -3.725 1.00 0.00 H new ATOM 0 HB2 ASN A 99 12.688 -0.046 -5.826 1.00 0.00 H new ATOM 0 HB3 ASN A 99 13.716 1.344 -5.537 1.00 0.00 H new ATOM 0 HD21 ASN A 99 15.712 0.416 -6.242 1.00 0.00 H new ATOM 0 HD22 ASN A 99 16.421 -1.003 -5.464 1.00 0.00 H new ATOM 1385 N PHE A 100 10.469 -0.058 -4.373 1.00 0.00 N ATOM 1386 CA PHE A 100 9.292 -0.909 -4.363 1.00 0.00 C ATOM 1387 C PHE A 100 9.042 -1.517 -5.744 1.00 0.00 C ATOM 1388 O PHE A 100 9.656 -1.105 -6.727 1.00 0.00 O ATOM 1389 CB PHE A 100 8.103 -0.021 -3.987 1.00 0.00 C ATOM 1390 CG PHE A 100 7.959 0.223 -2.483 1.00 0.00 C ATOM 1391 CD1 PHE A 100 7.841 -0.831 -1.632 1.00 0.00 C ATOM 1392 CD2 PHE A 100 7.949 1.494 -1.999 1.00 0.00 C ATOM 1393 CE1 PHE A 100 7.708 -0.604 -0.236 1.00 0.00 C ATOM 1394 CE2 PHE A 100 7.815 1.720 -0.604 1.00 0.00 C ATOM 1395 CZ PHE A 100 7.698 0.667 0.248 1.00 0.00 C ATOM 0 H PHE A 100 10.390 0.773 -4.959 1.00 0.00 H new ATOM 0 HA PHE A 100 9.430 -1.727 -3.656 1.00 0.00 H new ATOM 0 HB2 PHE A 100 8.206 0.939 -4.492 1.00 0.00 H new ATOM 0 HB3 PHE A 100 7.187 -0.481 -4.359 1.00 0.00 H new ATOM 0 HD1 PHE A 100 7.848 -1.840 -2.017 1.00 0.00 H new ATOM 0 HD2 PHE A 100 8.043 2.331 -2.675 1.00 0.00 H new ATOM 0 HE1 PHE A 100 7.615 -1.440 0.441 1.00 0.00 H new ATOM 0 HE2 PHE A 100 7.806 2.729 -0.219 1.00 0.00 H new ATOM 0 HZ PHE A 100 7.597 0.840 1.309 1.00 0.00 H new ATOM 1405 N VAL A 101 8.141 -2.488 -5.773 1.00 0.00 N ATOM 1406 CA VAL A 101 7.803 -3.158 -7.018 1.00 0.00 C ATOM 1407 C VAL A 101 6.476 -3.899 -6.849 1.00 0.00 C ATOM 1408 O VAL A 101 6.271 -4.595 -5.856 1.00 0.00 O ATOM 1409 CB VAL A 101 8.951 -4.075 -7.447 1.00 0.00 C ATOM 1410 CG1 VAL A 101 10.205 -3.266 -7.776 1.00 0.00 C ATOM 1411 CG2 VAL A 101 9.241 -5.127 -6.374 1.00 0.00 C ATOM 0 H VAL A 101 7.635 -2.827 -4.955 1.00 0.00 H new ATOM 0 HA VAL A 101 7.669 -2.431 -7.819 1.00 0.00 H new ATOM 0 HB VAL A 101 8.643 -4.597 -8.353 1.00 0.00 H new ATOM 0 HG11 VAL A 101 11.005 -3.942 -8.078 1.00 0.00 H new ATOM 0 HG12 VAL A 101 9.988 -2.574 -8.590 1.00 0.00 H new ATOM 0 HG13 VAL A 101 10.517 -2.704 -6.895 1.00 0.00 H new ATOM 0 HG21 VAL A 101 10.061 -5.766 -6.703 1.00 0.00 H new ATOM 0 HG22 VAL A 101 9.518 -4.631 -5.444 1.00 0.00 H new ATOM 0 HG23 VAL A 101 8.351 -5.734 -6.210 1.00 0.00 H new ATOM 1421 N GLU A 102 5.608 -3.725 -7.835 1.00 0.00 N ATOM 1422 CA GLU A 102 4.306 -4.368 -7.808 1.00 0.00 C ATOM 1423 C GLU A 102 4.466 -5.887 -7.721 1.00 0.00 C ATOM 1424 O GLU A 102 5.140 -6.493 -8.553 1.00 0.00 O ATOM 1425 CB GLU A 102 3.474 -3.974 -9.030 1.00 0.00 C ATOM 1426 CG GLU A 102 4.374 -3.546 -10.191 1.00 0.00 C ATOM 1427 CD GLU A 102 3.641 -3.672 -11.528 1.00 0.00 C ATOM 1428 OE1 GLU A 102 2.527 -3.113 -11.620 1.00 0.00 O ATOM 1429 OE2 GLU A 102 4.212 -4.324 -12.429 1.00 0.00 O ATOM 0 H GLU A 102 5.781 -3.148 -8.658 1.00 0.00 H new ATOM 0 HA GLU A 102 3.773 -4.027 -6.921 1.00 0.00 H new ATOM 0 HB2 GLU A 102 2.853 -4.815 -9.338 1.00 0.00 H new ATOM 0 HB3 GLU A 102 2.800 -3.159 -8.768 1.00 0.00 H new ATOM 0 HG2 GLU A 102 4.697 -2.515 -10.045 1.00 0.00 H new ATOM 0 HG3 GLU A 102 5.273 -4.162 -10.205 1.00 0.00 H new ATOM 1436 N CYS A 103 3.835 -6.460 -6.705 1.00 0.00 N ATOM 1437 CA CYS A 103 3.900 -7.896 -6.498 1.00 0.00 C ATOM 1438 C CYS A 103 3.428 -8.588 -7.779 1.00 0.00 C ATOM 1439 O CYS A 103 3.350 -7.962 -8.835 1.00 0.00 O ATOM 1440 CB CYS A 103 3.081 -8.330 -5.280 1.00 0.00 C ATOM 1441 SG CYS A 103 3.543 -7.507 -3.713 1.00 0.00 S ATOM 0 H CYS A 103 3.277 -5.955 -6.017 1.00 0.00 H new ATOM 0 HA CYS A 103 4.928 -8.189 -6.285 1.00 0.00 H new ATOM 0 HB2 CYS A 103 2.027 -8.135 -5.480 1.00 0.00 H new ATOM 0 HB3 CYS A 103 3.187 -9.407 -5.153 1.00 0.00 H new ATOM 0 HG CYS A 103 2.738 -7.891 -2.767 1.00 0.00 H new ATOM 1446 N THR A 104 3.124 -9.870 -7.643 1.00 0.00 N ATOM 1447 CA THR A 104 2.661 -10.654 -8.776 1.00 0.00 C ATOM 1448 C THR A 104 1.185 -11.019 -8.606 1.00 0.00 C ATOM 1449 O THR A 104 0.669 -11.882 -9.314 1.00 0.00 O ATOM 1450 CB THR A 104 3.576 -11.872 -8.914 1.00 0.00 C ATOM 1451 OG1 THR A 104 3.302 -12.646 -7.750 1.00 0.00 O ATOM 1452 CG2 THR A 104 5.057 -11.511 -8.780 1.00 0.00 C ATOM 0 H THR A 104 3.189 -10.386 -6.766 1.00 0.00 H new ATOM 0 HA THR A 104 2.717 -10.081 -9.702 1.00 0.00 H new ATOM 0 HB THR A 104 3.404 -12.347 -9.880 1.00 0.00 H new ATOM 0 HG1 THR A 104 3.792 -12.274 -6.987 1.00 0.00 H new ATOM 0 HG21 THR A 104 5.662 -12.411 -8.886 1.00 0.00 H new ATOM 0 HG22 THR A 104 5.329 -10.797 -9.558 1.00 0.00 H new ATOM 0 HG23 THR A 104 5.236 -11.067 -7.801 1.00 0.00 H new