USER MOD reduce.3.24.130724 H: found=0, std=0, add=414, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 415 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 42 SER OG : rot -107:sc= 0.334 USER MOD Set 1.2: A 76 ASN : amide:sc= 0.268 K(o=0.6,f=-0.17) USER MOD Set 2.1: A 21 SER OG : rot 180:sc= 0.11 USER MOD Set 2.2: A 57 SER OG : rot 128:sc= 0.149 USER MOD Set 3.1: A 7 ASN : amide:sc= -0.495 X(o=1,f=1.1) USER MOD Set 3.2: A 8 THR OG1 : rot -100:sc= 1.54 USER MOD Set 4.1: A 1 ALA N :NH3+ 176:sc= 1.2 (180deg=0) USER MOD Set 4.2: A 53 GLN : amide:sc= 1.04 K(o=2.2,f=-4.3) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot -84:sc= 1.26 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 SER OG : rot 75:sc= 0.767 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.115 USER MOD Single : A 67 ASN : amide:sc=-0.00397 X(o=-0.004,f=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0.0336 USER MOD Single : A 70 ASN : amide:sc= -0.464 K(o=-0.46,f=-4.8!) USER MOD Single : A 71 SER OG : rot 180:sc= 0.149 USER MOD Single : A 79 ASN : amide:sc= 0.798 K(o=0.8,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -10.111 6.717 8.244 1.00 0.00 N ATOM 2 CA ALA A 1 -9.451 5.896 7.206 1.00 0.00 C ATOM 3 C ALA A 1 -9.883 4.441 7.329 1.00 0.00 C ATOM 4 O ALA A 1 -10.734 4.106 8.152 1.00 0.00 O ATOM 5 CB ALA A 1 -7.937 6.010 7.323 1.00 0.00 C ATOM 0 H1 ALA A 1 -9.756 7.693 8.192 1.00 0.00 H new ATOM 0 H2 ALA A 1 -11.139 6.713 8.088 1.00 0.00 H new ATOM 0 H3 ALA A 1 -9.902 6.323 9.183 1.00 0.00 H new ATOM 0 HA ALA A 1 -9.752 6.267 6.226 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -7.466 5.400 6.552 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -7.639 7.051 7.195 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -7.621 5.661 8.306 1.00 0.00 H new ATOM 13 N THR A 2 -9.296 3.578 6.515 1.00 0.00 N ATOM 14 CA THR A 2 -9.634 2.168 6.536 1.00 0.00 C ATOM 15 C THR A 2 -8.810 1.417 7.579 1.00 0.00 C ATOM 16 O THR A 2 -7.582 1.511 7.600 1.00 0.00 O ATOM 17 CB THR A 2 -9.417 1.529 5.152 1.00 0.00 C ATOM 18 OG1 THR A 2 -9.740 2.475 4.122 1.00 0.00 O ATOM 19 CG2 THR A 2 -10.272 0.281 4.990 1.00 0.00 C ATOM 0 H THR A 2 -8.583 3.832 5.832 1.00 0.00 H new ATOM 0 HA THR A 2 -10.688 2.092 6.802 1.00 0.00 H new ATOM 0 HB THR A 2 -8.369 1.242 5.068 1.00 0.00 H new ATOM 0 HG1 THR A 2 -9.598 2.064 3.244 1.00 0.00 H new ATOM 0 HG21 THR A 2 -10.101 -0.152 4.004 1.00 0.00 H new ATOM 0 HG22 THR A 2 -10.004 -0.446 5.757 1.00 0.00 H new ATOM 0 HG23 THR A 2 -11.325 0.545 5.092 1.00 0.00 H new ATOM 27 N THR A 3 -9.495 0.696 8.451 1.00 0.00 N ATOM 28 CA THR A 3 -8.842 -0.138 9.445 1.00 0.00 C ATOM 29 C THR A 3 -8.624 -1.539 8.889 1.00 0.00 C ATOM 30 O THR A 3 -9.517 -2.106 8.260 1.00 0.00 O ATOM 31 CB THR A 3 -9.676 -0.220 10.737 1.00 0.00 C ATOM 32 OG1 THR A 3 -10.570 0.900 10.817 1.00 0.00 O ATOM 33 CG2 THR A 3 -8.774 -0.237 11.960 1.00 0.00 C ATOM 0 H THR A 3 -10.514 0.672 8.490 1.00 0.00 H new ATOM 0 HA THR A 3 -7.880 0.315 9.684 1.00 0.00 H new ATOM 0 HB THR A 3 -10.252 -1.145 10.713 1.00 0.00 H new ATOM 0 HG1 THR A 3 -11.098 0.839 11.641 1.00 0.00 H new ATOM 0 HG21 THR A 3 -9.384 -0.295 12.861 1.00 0.00 H new ATOM 0 HG22 THR A 3 -8.113 -1.103 11.913 1.00 0.00 H new ATOM 0 HG23 THR A 3 -8.177 0.675 11.984 1.00 0.00 H new ATOM 41 N ILE A 4 -7.438 -2.088 9.111 1.00 0.00 N ATOM 42 CA ILE A 4 -7.091 -3.391 8.565 1.00 0.00 C ATOM 43 C ILE A 4 -7.436 -4.518 9.531 1.00 0.00 C ATOM 44 O ILE A 4 -7.112 -4.462 10.719 1.00 0.00 O ATOM 45 CB ILE A 4 -5.594 -3.475 8.194 1.00 0.00 C ATOM 46 CG1 ILE A 4 -5.240 -2.393 7.170 1.00 0.00 C ATOM 47 CG2 ILE A 4 -5.258 -4.857 7.644 1.00 0.00 C ATOM 48 CD1 ILE A 4 -3.828 -2.499 6.636 1.00 0.00 C ATOM 0 H ILE A 4 -6.701 -1.651 9.665 1.00 0.00 H new ATOM 0 HA ILE A 4 -7.685 -3.511 7.659 1.00 0.00 H new ATOM 0 HB ILE A 4 -5.003 -3.309 9.095 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -5.940 -2.452 6.336 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -5.373 -1.413 7.629 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -4.199 -4.899 7.388 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -5.479 -5.612 8.398 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -5.855 -5.049 6.753 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -3.650 -1.700 5.916 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -3.120 -2.410 7.460 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -3.696 -3.464 6.147 1.00 0.00 H new ATOM 60 N GLY A 5 -8.115 -5.521 9.002 1.00 0.00 N ATOM 61 CA GLY A 5 -8.432 -6.714 9.750 1.00 0.00 C ATOM 62 C GLY A 5 -9.205 -7.688 8.889 1.00 0.00 C ATOM 63 O GLY A 5 -9.317 -7.480 7.680 1.00 0.00 O ATOM 0 H GLY A 5 -8.460 -5.526 8.042 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -7.514 -7.182 10.105 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -9.018 -6.453 10.631 1.00 0.00 H new ATOM 67 N PRO A 6 -9.760 -8.764 9.471 1.00 0.00 N ATOM 68 CA PRO A 6 -10.586 -9.722 8.726 1.00 0.00 C ATOM 69 C PRO A 6 -11.887 -9.087 8.239 1.00 0.00 C ATOM 70 O PRO A 6 -12.589 -9.641 7.392 1.00 0.00 O ATOM 71 CB PRO A 6 -10.878 -10.826 9.748 1.00 0.00 C ATOM 72 CG PRO A 6 -10.681 -10.182 11.078 1.00 0.00 C ATOM 73 CD PRO A 6 -9.612 -9.144 10.886 1.00 0.00 C ATOM 0 HA PRO A 6 -10.084 -10.086 7.830 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -11.894 -11.205 9.640 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -10.206 -11.674 9.616 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -11.606 -9.727 11.431 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -10.381 -10.916 11.826 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -9.756 -8.291 11.549 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -8.620 -9.545 11.093 1.00 0.00 H new ATOM 81 N ASN A 7 -12.188 -7.915 8.777 1.00 0.00 N ATOM 82 CA ASN A 7 -13.376 -7.166 8.395 1.00 0.00 C ATOM 83 C ASN A 7 -13.143 -6.444 7.076 1.00 0.00 C ATOM 84 O ASN A 7 -14.052 -6.322 6.255 1.00 0.00 O ATOM 85 CB ASN A 7 -13.757 -6.157 9.489 1.00 0.00 C ATOM 86 CG ASN A 7 -12.550 -5.484 10.125 1.00 0.00 C ATOM 87 OD1 ASN A 7 -11.994 -4.527 9.586 1.00 0.00 O ATOM 88 ND2 ASN A 7 -12.134 -5.980 11.279 1.00 0.00 N ATOM 0 H ASN A 7 -11.618 -7.457 9.488 1.00 0.00 H new ATOM 0 HA ASN A 7 -14.199 -7.870 8.272 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -14.408 -5.394 9.061 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -14.331 -6.668 10.263 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -11.329 -5.568 11.750 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -12.619 -6.774 11.697 1.00 0.00 H new ATOM 95 N THR A 8 -11.924 -5.972 6.883 1.00 0.00 N ATOM 96 CA THR A 8 -11.531 -5.324 5.646 1.00 0.00 C ATOM 97 C THR A 8 -11.504 -6.325 4.499 1.00 0.00 C ATOM 98 O THR A 8 -12.145 -6.130 3.466 1.00 0.00 O ATOM 99 CB THR A 8 -10.135 -4.708 5.797 1.00 0.00 C ATOM 100 OG1 THR A 8 -9.840 -4.520 7.186 1.00 0.00 O ATOM 101 CG2 THR A 8 -10.028 -3.385 5.061 1.00 0.00 C ATOM 0 H THR A 8 -11.180 -6.027 7.579 1.00 0.00 H new ATOM 0 HA THR A 8 -12.261 -4.544 5.426 1.00 0.00 H new ATOM 0 HB THR A 8 -9.412 -5.394 5.356 1.00 0.00 H new ATOM 0 HG1 THR A 8 -9.994 -3.583 7.429 1.00 0.00 H new ATOM 0 HG21 THR A 8 -9.025 -2.977 5.190 1.00 0.00 H new ATOM 0 HG22 THR A 8 -10.222 -3.542 4.000 1.00 0.00 H new ATOM 0 HG23 THR A 8 -10.759 -2.684 5.464 1.00 0.00 H new ATOM 109 N CYS A 9 -10.767 -7.405 4.707 1.00 0.00 N ATOM 110 CA CYS A 9 -10.591 -8.425 3.691 1.00 0.00 C ATOM 111 C CYS A 9 -10.630 -9.806 4.333 1.00 0.00 C ATOM 112 O CYS A 9 -9.858 -10.091 5.253 1.00 0.00 O ATOM 113 CB CYS A 9 -9.258 -8.208 2.970 1.00 0.00 C ATOM 114 SG CYS A 9 -9.039 -9.217 1.467 1.00 0.00 S ATOM 0 H CYS A 9 -10.277 -7.597 5.581 1.00 0.00 H new ATOM 0 HA CYS A 9 -11.400 -8.356 2.964 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -9.172 -7.155 2.701 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -8.445 -8.428 3.662 1.00 0.00 H new ATOM 119 N SER A 10 -11.536 -10.649 3.863 1.00 0.00 N ATOM 120 CA SER A 10 -11.692 -11.988 4.413 1.00 0.00 C ATOM 121 C SER A 10 -11.657 -13.037 3.306 1.00 0.00 C ATOM 122 O SER A 10 -12.679 -13.319 2.676 1.00 0.00 O ATOM 123 CB SER A 10 -13.009 -12.089 5.186 1.00 0.00 C ATOM 124 OG SER A 10 -13.693 -10.843 5.195 1.00 0.00 O ATOM 0 H SER A 10 -12.176 -10.430 3.100 1.00 0.00 H new ATOM 0 HA SER A 10 -10.862 -12.177 5.093 1.00 0.00 H new ATOM 0 HB2 SER A 10 -13.642 -12.852 4.734 1.00 0.00 H new ATOM 0 HB3 SER A 10 -12.810 -12.406 6.210 1.00 0.00 H new ATOM 0 HG SER A 10 -13.349 -10.286 5.924 1.00 0.00 H new ATOM 130 N ILE A 11 -10.480 -13.588 3.055 1.00 0.00 N ATOM 131 CA ILE A 11 -10.322 -14.649 2.073 1.00 0.00 C ATOM 132 C ILE A 11 -9.470 -15.769 2.657 1.00 0.00 C ATOM 133 O ILE A 11 -8.625 -15.509 3.514 1.00 0.00 O ATOM 134 CB ILE A 11 -9.679 -14.151 0.755 1.00 0.00 C ATOM 135 CG1 ILE A 11 -9.958 -12.658 0.534 1.00 0.00 C ATOM 136 CG2 ILE A 11 -10.208 -14.963 -0.420 1.00 0.00 C ATOM 137 CD1 ILE A 11 -9.504 -12.142 -0.815 1.00 0.00 C ATOM 0 H ILE A 11 -9.615 -13.316 3.521 1.00 0.00 H new ATOM 0 HA ILE A 11 -11.321 -15.014 1.834 1.00 0.00 H new ATOM 0 HB ILE A 11 -8.600 -14.286 0.829 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -11.028 -12.479 0.639 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -9.461 -12.086 1.317 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -9.751 -14.607 -1.343 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -9.962 -16.015 -0.276 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -11.290 -14.849 -0.483 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -9.736 -11.080 -0.895 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -8.429 -12.287 -0.917 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -10.020 -12.687 -1.605 1.00 0.00 H new ATOM 149 N ASP A 12 -9.701 -16.993 2.155 1.00 0.00 N ATOM 150 CA ASP A 12 -9.084 -18.246 2.644 1.00 0.00 C ATOM 151 C ASP A 12 -7.821 -18.035 3.480 1.00 0.00 C ATOM 152 O ASP A 12 -7.889 -17.926 4.702 1.00 0.00 O ATOM 153 CB ASP A 12 -8.750 -19.151 1.460 1.00 0.00 C ATOM 154 CG ASP A 12 -9.247 -20.565 1.655 1.00 0.00 C ATOM 155 OD1 ASP A 12 -9.455 -20.976 2.818 1.00 0.00 O ATOM 156 OD2 ASP A 12 -9.441 -21.274 0.646 1.00 0.00 O ATOM 0 H ASP A 12 -10.340 -17.147 1.375 1.00 0.00 H new ATOM 0 HA ASP A 12 -9.822 -18.707 3.301 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -9.191 -18.736 0.554 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -7.670 -19.166 1.311 1.00 0.00 H new ATOM 161 N ASP A 13 -6.675 -17.996 2.824 1.00 0.00 N ATOM 162 CA ASP A 13 -5.417 -17.744 3.515 1.00 0.00 C ATOM 163 C ASP A 13 -4.772 -16.489 2.959 1.00 0.00 C ATOM 164 O ASP A 13 -3.587 -16.466 2.628 1.00 0.00 O ATOM 165 CB ASP A 13 -4.466 -18.937 3.374 1.00 0.00 C ATOM 166 CG ASP A 13 -3.360 -18.922 4.414 1.00 0.00 C ATOM 167 OD1 ASP A 13 -3.614 -18.484 5.558 1.00 0.00 O ATOM 168 OD2 ASP A 13 -2.230 -19.353 4.098 1.00 0.00 O ATOM 0 H ASP A 13 -6.586 -18.135 1.817 1.00 0.00 H new ATOM 0 HA ASP A 13 -5.625 -17.603 4.576 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -5.034 -19.863 3.465 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -4.024 -18.930 2.378 1.00 0.00 H new ATOM 173 N TYR A 14 -5.568 -15.444 2.845 1.00 0.00 N ATOM 174 CA TYR A 14 -5.111 -14.204 2.250 1.00 0.00 C ATOM 175 C TYR A 14 -4.958 -13.125 3.303 1.00 0.00 C ATOM 176 O TYR A 14 -5.917 -12.758 3.978 1.00 0.00 O ATOM 177 CB TYR A 14 -6.083 -13.753 1.163 1.00 0.00 C ATOM 178 CG TYR A 14 -5.903 -14.501 -0.134 1.00 0.00 C ATOM 179 CD1 TYR A 14 -4.882 -14.165 -1.007 1.00 0.00 C ATOM 180 CD2 TYR A 14 -6.744 -15.550 -0.481 1.00 0.00 C ATOM 181 CE1 TYR A 14 -4.699 -14.846 -2.192 1.00 0.00 C ATOM 182 CE2 TYR A 14 -6.567 -16.242 -1.664 1.00 0.00 C ATOM 183 CZ TYR A 14 -5.543 -15.885 -2.517 1.00 0.00 C ATOM 184 OH TYR A 14 -5.364 -16.570 -3.697 1.00 0.00 O ATOM 0 H TYR A 14 -6.539 -15.430 3.158 1.00 0.00 H new ATOM 0 HA TYR A 14 -4.134 -14.378 1.799 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -7.105 -13.891 1.517 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -5.949 -12.686 0.983 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -4.216 -13.353 -0.755 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -7.548 -15.829 0.183 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -3.899 -14.566 -2.861 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -7.227 -17.058 -1.920 1.00 0.00 H new ATOM 0 HH TYR A 14 -6.042 -17.273 -3.773 1.00 0.00 H new ATOM 194 N LYS A 15 -3.746 -12.628 3.444 1.00 0.00 N ATOM 195 CA LYS A 15 -3.464 -11.580 4.407 1.00 0.00 C ATOM 196 C LYS A 15 -3.585 -10.222 3.735 1.00 0.00 C ATOM 197 O LYS A 15 -3.104 -10.037 2.616 1.00 0.00 O ATOM 198 CB LYS A 15 -2.057 -11.750 4.998 1.00 0.00 C ATOM 199 CG LYS A 15 -1.645 -13.199 5.219 1.00 0.00 C ATOM 200 CD LYS A 15 -0.527 -13.613 4.276 1.00 0.00 C ATOM 201 CE LYS A 15 0.708 -14.071 5.034 1.00 0.00 C ATOM 202 NZ LYS A 15 0.694 -15.535 5.289 1.00 0.00 N ATOM 0 H LYS A 15 -2.937 -12.933 2.903 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.188 -11.648 5.219 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -1.336 -11.276 4.332 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -2.008 -11.221 5.950 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -1.319 -13.332 6.251 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -2.507 -13.850 5.070 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -0.876 -14.418 3.629 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -0.267 -12.775 3.630 1.00 0.00 H new ATOM 0 HE2 LYS A 15 1.600 -13.811 4.464 1.00 0.00 H new ATOM 0 HE3 LYS A 15 0.769 -13.538 5.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 1.554 -15.805 5.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -0.143 -15.781 5.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 0.662 -16.045 4.383 1.00 0.00 H new ATOM 216 N PRO A 16 -4.262 -9.269 4.384 1.00 0.00 N ATOM 217 CA PRO A 16 -4.349 -7.898 3.898 1.00 0.00 C ATOM 218 C PRO A 16 -3.003 -7.191 3.988 1.00 0.00 C ATOM 219 O PRO A 16 -2.376 -7.154 5.047 1.00 0.00 O ATOM 220 CB PRO A 16 -5.375 -7.230 4.823 1.00 0.00 C ATOM 221 CG PRO A 16 -6.043 -8.353 5.546 1.00 0.00 C ATOM 222 CD PRO A 16 -5.019 -9.450 5.630 1.00 0.00 C ATOM 0 HA PRO A 16 -4.639 -7.854 2.848 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -4.890 -6.547 5.520 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -6.096 -6.645 4.253 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -6.366 -8.042 6.540 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -6.932 -8.688 5.012 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -4.384 -9.347 6.510 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -5.482 -10.435 5.685 1.00 0.00 H new ATOM 230 N TYR A 17 -2.556 -6.652 2.872 1.00 0.00 N ATOM 231 CA TYR A 17 -1.285 -5.952 2.811 1.00 0.00 C ATOM 232 C TYR A 17 -1.513 -4.484 2.516 1.00 0.00 C ATOM 233 O TYR A 17 -2.429 -4.127 1.776 1.00 0.00 O ATOM 234 CB TYR A 17 -0.390 -6.550 1.724 1.00 0.00 C ATOM 235 CG TYR A 17 0.377 -7.771 2.164 1.00 0.00 C ATOM 236 CD1 TYR A 17 -0.279 -8.958 2.438 1.00 0.00 C ATOM 237 CD2 TYR A 17 1.759 -7.738 2.292 1.00 0.00 C ATOM 238 CE1 TYR A 17 0.411 -10.082 2.831 1.00 0.00 C ATOM 239 CE2 TYR A 17 2.461 -8.858 2.687 1.00 0.00 C ATOM 240 CZ TYR A 17 1.784 -10.029 2.954 1.00 0.00 C ATOM 241 OH TYR A 17 2.480 -11.148 3.345 1.00 0.00 O ATOM 0 H TYR A 17 -3.059 -6.685 1.985 1.00 0.00 H new ATOM 0 HA TYR A 17 -0.792 -6.060 3.777 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -1.006 -6.811 0.864 1.00 0.00 H new ATOM 0 HB3 TYR A 17 0.317 -5.790 1.391 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -1.354 -9.003 2.342 1.00 0.00 H new ATOM 0 HD2 TYR A 17 2.292 -6.823 2.079 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -0.119 -10.999 3.042 1.00 0.00 H new ATOM 0 HE2 TYR A 17 3.536 -8.818 2.787 1.00 0.00 H new ATOM 0 HH TYR A 17 3.437 -10.942 3.381 1.00 0.00 H new ATOM 251 N CYS A 18 -0.683 -3.637 3.094 1.00 0.00 N ATOM 252 CA CYS A 18 -0.749 -2.218 2.830 1.00 0.00 C ATOM 253 C CYS A 18 0.423 -1.813 1.957 1.00 0.00 C ATOM 254 O CYS A 18 1.579 -1.919 2.369 1.00 0.00 O ATOM 255 CB CYS A 18 -0.748 -1.417 4.134 1.00 0.00 C ATOM 256 SG CYS A 18 -1.949 -0.045 4.156 1.00 0.00 S ATOM 0 H CYS A 18 0.047 -3.911 3.752 1.00 0.00 H new ATOM 0 HA CYS A 18 -1.681 -2.000 2.308 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -0.965 -2.090 4.963 1.00 0.00 H new ATOM 0 HB3 CYS A 18 0.251 -1.015 4.302 1.00 0.00 H new ATOM 261 N CYS A 19 0.128 -1.400 0.737 1.00 0.00 N ATOM 262 CA CYS A 19 1.157 -0.945 -0.178 1.00 0.00 C ATOM 263 C CYS A 19 0.929 0.514 -0.526 1.00 0.00 C ATOM 264 O CYS A 19 -0.128 0.880 -1.041 1.00 0.00 O ATOM 265 CB CYS A 19 1.159 -1.797 -1.450 1.00 0.00 C ATOM 266 SG CYS A 19 2.814 -2.349 -1.974 1.00 0.00 S ATOM 0 H CYS A 19 -0.818 -1.371 0.357 1.00 0.00 H new ATOM 0 HA CYS A 19 2.128 -1.048 0.307 1.00 0.00 H new ATOM 0 HB2 CYS A 19 0.530 -2.673 -1.289 1.00 0.00 H new ATOM 0 HB3 CYS A 19 0.706 -1.224 -2.259 1.00 0.00 H new ATOM 271 N GLN A 20 1.903 1.354 -0.220 1.00 0.00 N ATOM 272 CA GLN A 20 1.801 2.764 -0.549 1.00 0.00 C ATOM 273 C GLN A 20 2.196 2.975 -2.000 1.00 0.00 C ATOM 274 O GLN A 20 3.381 2.968 -2.343 1.00 0.00 O ATOM 275 CB GLN A 20 2.682 3.598 0.381 1.00 0.00 C ATOM 276 CG GLN A 20 2.430 3.313 1.852 1.00 0.00 C ATOM 277 CD GLN A 20 2.678 4.518 2.738 1.00 0.00 C ATOM 278 OE1 GLN A 20 3.728 5.158 2.657 1.00 0.00 O ATOM 279 NE2 GLN A 20 1.719 4.826 3.599 1.00 0.00 N ATOM 0 H GLN A 20 2.767 1.086 0.252 1.00 0.00 H new ATOM 0 HA GLN A 20 0.770 3.090 -0.412 1.00 0.00 H new ATOM 0 HB2 GLN A 20 3.730 3.401 0.153 1.00 0.00 H new ATOM 0 HB3 GLN A 20 2.507 4.656 0.186 1.00 0.00 H new ATOM 0 HG2 GLN A 20 1.400 2.979 1.981 1.00 0.00 H new ATOM 0 HG3 GLN A 20 3.073 2.494 2.173 1.00 0.00 H new ATOM 0 HE21 GLN A 20 0.865 4.269 3.632 1.00 0.00 H new ATOM 0 HE22 GLN A 20 1.835 5.620 4.228 1.00 0.00 H new ATOM 288 N SER A 21 1.197 3.182 -2.841 1.00 0.00 N ATOM 289 CA SER A 21 1.412 3.285 -4.279 1.00 0.00 C ATOM 290 C SER A 21 0.615 4.446 -4.867 1.00 0.00 C ATOM 291 O SER A 21 0.214 4.417 -6.028 1.00 0.00 O ATOM 292 CB SER A 21 1.006 1.968 -4.954 1.00 0.00 C ATOM 293 OG SER A 21 0.645 0.989 -3.991 1.00 0.00 O ATOM 0 H SER A 21 0.224 3.283 -2.553 1.00 0.00 H new ATOM 0 HA SER A 21 2.470 3.475 -4.462 1.00 0.00 H new ATOM 0 HB2 SER A 21 0.168 2.145 -5.629 1.00 0.00 H new ATOM 0 HB3 SER A 21 1.832 1.598 -5.561 1.00 0.00 H new ATOM 0 HG SER A 21 0.389 0.160 -4.447 1.00 0.00 H new ATOM 569 N SER A 42 8.584 -7.958 -7.634 1.00 0.00 N ATOM 570 CA SER A 42 7.580 -8.398 -6.681 1.00 0.00 C ATOM 571 C SER A 42 6.875 -7.196 -6.052 1.00 0.00 C ATOM 572 O SER A 42 6.939 -6.085 -6.580 1.00 0.00 O ATOM 573 CB SER A 42 8.231 -9.272 -5.606 1.00 0.00 C ATOM 574 OG SER A 42 9.195 -10.146 -6.175 1.00 0.00 O ATOM 0 HA SER A 42 6.830 -8.991 -7.205 1.00 0.00 H new ATOM 0 HB2 SER A 42 8.706 -8.639 -4.857 1.00 0.00 H new ATOM 0 HB3 SER A 42 7.465 -9.854 -5.093 1.00 0.00 H new ATOM 0 HG SER A 42 8.846 -11.062 -6.177 1.00 0.00 H new ATOM 580 N LEU A 43 6.201 -7.416 -4.931 1.00 0.00 N ATOM 581 CA LEU A 43 5.435 -6.359 -4.285 1.00 0.00 C ATOM 582 C LEU A 43 6.065 -5.965 -2.953 1.00 0.00 C ATOM 583 O LEU A 43 6.091 -6.755 -2.005 1.00 0.00 O ATOM 584 CB LEU A 43 3.989 -6.811 -4.068 1.00 0.00 C ATOM 585 CG LEU A 43 2.961 -6.244 -5.057 1.00 0.00 C ATOM 586 CD1 LEU A 43 2.998 -4.721 -5.062 1.00 0.00 C ATOM 587 CD2 LEU A 43 3.212 -6.791 -6.454 1.00 0.00 C ATOM 0 H LEU A 43 6.169 -8.315 -4.451 1.00 0.00 H new ATOM 0 HA LEU A 43 5.442 -5.487 -4.939 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.956 -7.899 -4.121 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.688 -6.532 -3.058 1.00 0.00 H new ATOM 0 HG LEU A 43 1.967 -6.557 -4.736 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.261 -4.341 -5.770 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.768 -4.348 -4.064 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.992 -4.382 -5.356 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.475 -6.380 -7.144 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.213 -6.508 -6.781 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.129 -7.878 -6.440 1.00 0.00 H new ATOM 599 N GLY A 44 6.567 -4.741 -2.888 1.00 0.00 N ATOM 600 CA GLY A 44 7.179 -4.251 -1.668 1.00 0.00 C ATOM 601 C GLY A 44 6.152 -3.706 -0.694 1.00 0.00 C ATOM 602 O GLY A 44 6.117 -2.506 -0.421 1.00 0.00 O ATOM 0 H GLY A 44 6.562 -4.075 -3.661 1.00 0.00 H new ATOM 0 HA2 GLY A 44 7.736 -5.058 -1.193 1.00 0.00 H new ATOM 0 HA3 GLY A 44 7.898 -3.469 -1.912 1.00 0.00 H new ATOM 606 N CYS A 45 5.313 -4.589 -0.177 1.00 0.00 N ATOM 607 CA CYS A 45 4.278 -4.199 0.764 1.00 0.00 C ATOM 608 C CYS A 45 4.448 -4.947 2.074 1.00 0.00 C ATOM 609 O CYS A 45 5.130 -5.967 2.126 1.00 0.00 O ATOM 610 CB CYS A 45 2.891 -4.487 0.183 1.00 0.00 C ATOM 611 SG CYS A 45 2.792 -4.349 -1.632 1.00 0.00 S ATOM 0 H CYS A 45 5.330 -5.585 -0.395 1.00 0.00 H new ATOM 0 HA CYS A 45 4.370 -3.129 0.949 1.00 0.00 H new ATOM 0 HB2 CYS A 45 2.589 -5.493 0.476 1.00 0.00 H new ATOM 0 HB3 CYS A 45 2.174 -3.797 0.627 1.00 0.00 H new ATOM 616 N VAL A 46 3.826 -4.443 3.125 1.00 0.00 N ATOM 617 CA VAL A 46 3.894 -5.084 4.425 1.00 0.00 C ATOM 618 C VAL A 46 2.497 -5.492 4.874 1.00 0.00 C ATOM 619 O VAL A 46 1.499 -4.902 4.446 1.00 0.00 O ATOM 620 CB VAL A 46 4.554 -4.158 5.476 1.00 0.00 C ATOM 621 CG1 VAL A 46 3.605 -3.050 5.916 1.00 0.00 C ATOM 622 CG2 VAL A 46 5.041 -4.961 6.675 1.00 0.00 C ATOM 0 H VAL A 46 3.267 -3.590 3.103 1.00 0.00 H new ATOM 0 HA VAL A 46 4.515 -5.975 4.335 1.00 0.00 H new ATOM 0 HB VAL A 46 5.417 -3.687 5.006 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.100 -2.419 6.654 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.324 -2.447 5.052 1.00 0.00 H new ATOM 0 HG13 VAL A 46 2.711 -3.491 6.357 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.501 -4.290 7.400 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.197 -5.472 7.138 1.00 0.00 H new ATOM 0 HG23 VAL A 46 5.774 -5.697 6.346 1.00 0.00 H new ATOM 632 N VAL A 47 2.428 -6.517 5.707 1.00 0.00 N ATOM 633 CA VAL A 47 1.153 -7.032 6.187 1.00 0.00 C ATOM 634 C VAL A 47 0.444 -6.000 7.048 1.00 0.00 C ATOM 635 O VAL A 47 1.068 -5.330 7.877 1.00 0.00 O ATOM 636 CB VAL A 47 1.323 -8.333 7.005 1.00 0.00 C ATOM 637 CG1 VAL A 47 0.142 -9.266 6.782 1.00 0.00 C ATOM 638 CG2 VAL A 47 2.629 -9.029 6.652 1.00 0.00 C ATOM 0 H VAL A 47 3.244 -7.012 6.067 1.00 0.00 H new ATOM 0 HA VAL A 47 0.554 -7.253 5.303 1.00 0.00 H new ATOM 0 HB VAL A 47 1.355 -8.066 8.061 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.281 -10.175 7.367 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.777 -8.771 7.095 1.00 0.00 H new ATOM 0 HG13 VAL A 47 0.075 -9.521 5.724 1.00 0.00 H new ATOM 0 HG21 VAL A 47 2.726 -9.941 7.240 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.633 -9.279 5.591 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.466 -8.366 6.871 1.00 0.00 H new ATOM 648 N GLY A 48 -0.855 -5.876 6.842 1.00 0.00 N ATOM 649 CA GLY A 48 -1.647 -4.960 7.617 1.00 0.00 C ATOM 650 C GLY A 48 -1.913 -5.490 9.006 1.00 0.00 C ATOM 651 O GLY A 48 -2.498 -6.558 9.167 1.00 0.00 O ATOM 0 H GLY A 48 -1.377 -6.402 6.142 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.132 -4.002 7.685 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -2.594 -4.778 7.109 1.00 0.00 H new ATOM 655 N VAL A 49 -1.464 -4.753 10.006 1.00 0.00 N ATOM 656 CA VAL A 49 -1.651 -5.152 11.391 1.00 0.00 C ATOM 657 C VAL A 49 -3.121 -5.065 11.780 1.00 0.00 C ATOM 658 O VAL A 49 -3.680 -3.972 11.906 1.00 0.00 O ATOM 659 CB VAL A 49 -0.808 -4.290 12.350 1.00 0.00 C ATOM 660 CG1 VAL A 49 0.490 -5.003 12.695 1.00 0.00 C ATOM 661 CG2 VAL A 49 -0.520 -2.920 11.747 1.00 0.00 C ATOM 0 H VAL A 49 -0.965 -3.872 9.885 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.316 -6.185 11.478 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.381 -4.140 13.265 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.076 -4.383 13.373 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.265 -5.955 13.176 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.060 -5.183 11.783 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.076 -2.333 12.446 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.030 -3.042 10.814 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -1.460 -2.404 11.550 1.00 0.00 H new ATOM 671 N ILE A 50 -3.734 -6.229 11.953 1.00 0.00 N ATOM 672 CA ILE A 50 -5.148 -6.325 12.288 1.00 0.00 C ATOM 673 C ILE A 50 -5.476 -5.508 13.534 1.00 0.00 C ATOM 674 O ILE A 50 -4.944 -5.763 14.619 1.00 0.00 O ATOM 675 CB ILE A 50 -5.570 -7.797 12.507 1.00 0.00 C ATOM 676 CG1 ILE A 50 -5.489 -8.570 11.189 1.00 0.00 C ATOM 677 CG2 ILE A 50 -6.976 -7.883 13.086 1.00 0.00 C ATOM 678 CD1 ILE A 50 -4.429 -9.650 11.185 1.00 0.00 C ATOM 0 H ILE A 50 -3.266 -7.131 11.865 1.00 0.00 H new ATOM 0 HA ILE A 50 -5.707 -5.920 11.445 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.882 -8.246 13.224 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -6.459 -9.023 10.983 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -5.286 -7.870 10.379 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -7.247 -8.929 13.230 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -7.007 -7.365 14.045 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -7.682 -7.417 12.399 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -4.429 -10.156 10.220 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -3.451 -9.201 11.359 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -4.642 -10.372 11.973 1.00 0.00 H new ATOM 690 N GLY A 51 -6.341 -4.519 13.363 1.00 0.00 N ATOM 691 CA GLY A 51 -6.727 -3.673 14.469 1.00 0.00 C ATOM 692 C GLY A 51 -6.183 -2.266 14.337 1.00 0.00 C ATOM 693 O GLY A 51 -6.435 -1.415 15.190 1.00 0.00 O ATOM 0 H GLY A 51 -6.783 -4.288 12.473 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -7.815 -3.635 14.531 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.370 -4.112 15.401 1.00 0.00 H new ATOM 697 N SER A 52 -5.449 -2.012 13.263 1.00 0.00 N ATOM 698 CA SER A 52 -4.848 -0.705 13.045 1.00 0.00 C ATOM 699 C SER A 52 -5.281 -0.123 11.700 1.00 0.00 C ATOM 700 O SER A 52 -5.583 -0.861 10.761 1.00 0.00 O ATOM 701 CB SER A 52 -3.324 -0.818 13.113 1.00 0.00 C ATOM 702 OG SER A 52 -2.931 -1.983 13.827 1.00 0.00 O ATOM 0 H SER A 52 -5.256 -2.694 12.529 1.00 0.00 H new ATOM 0 HA SER A 52 -5.191 -0.029 13.829 1.00 0.00 H new ATOM 0 HB2 SER A 52 -2.913 -0.849 12.104 1.00 0.00 H new ATOM 0 HB3 SER A 52 -2.911 0.067 13.598 1.00 0.00 H new ATOM 0 HG SER A 52 -3.069 -2.774 13.264 1.00 0.00 H new ATOM 708 N GLN A 53 -5.317 1.204 11.619 1.00 0.00 N ATOM 709 CA GLN A 53 -5.725 1.901 10.404 1.00 0.00 C ATOM 710 C GLN A 53 -4.583 1.952 9.398 1.00 0.00 C ATOM 711 O GLN A 53 -3.420 1.747 9.751 1.00 0.00 O ATOM 712 CB GLN A 53 -6.170 3.328 10.739 1.00 0.00 C ATOM 713 CG GLN A 53 -7.656 3.460 11.028 1.00 0.00 C ATOM 714 CD GLN A 53 -8.120 4.903 11.033 1.00 0.00 C ATOM 715 OE1 GLN A 53 -9.058 5.272 10.327 1.00 0.00 O ATOM 716 NE2 GLN A 53 -7.461 5.731 11.824 1.00 0.00 N ATOM 0 H GLN A 53 -5.066 1.823 12.389 1.00 0.00 H new ATOM 0 HA GLN A 53 -6.557 1.352 9.964 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -5.609 3.679 11.605 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -5.913 3.983 9.906 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -8.219 2.903 10.279 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -7.877 3.007 11.995 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -6.689 5.386 12.394 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -7.724 6.716 11.865 1.00 0.00 H new ATOM 725 N CYS A 54 -4.917 2.223 8.144 1.00 0.00 N ATOM 726 CA CYS A 54 -3.916 2.351 7.098 1.00 0.00 C ATOM 727 C CYS A 54 -4.320 3.444 6.118 1.00 0.00 C ATOM 728 O CYS A 54 -5.499 3.789 6.011 1.00 0.00 O ATOM 729 CB CYS A 54 -3.737 1.022 6.363 1.00 0.00 C ATOM 730 SG CYS A 54 -1.998 0.540 6.100 1.00 0.00 S ATOM 0 H CYS A 54 -5.877 2.359 7.827 1.00 0.00 H new ATOM 0 HA CYS A 54 -2.966 2.623 7.557 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -4.238 0.237 6.929 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -4.235 1.085 5.395 1.00 0.00 H new ATOM 735 N GLY A 55 -3.337 3.987 5.410 1.00 0.00 N ATOM 736 CA GLY A 55 -3.599 5.034 4.446 1.00 0.00 C ATOM 737 C GLY A 55 -2.935 4.743 3.118 1.00 0.00 C ATOM 738 O GLY A 55 -2.326 5.623 2.509 1.00 0.00 O ATOM 0 H GLY A 55 -2.357 3.717 5.489 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -4.675 5.136 4.302 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -3.237 5.986 4.834 1.00 0.00 H new ATOM 742 N ALA A 56 -3.045 3.500 2.678 1.00 0.00 N ATOM 743 CA ALA A 56 -2.426 3.069 1.436 1.00 0.00 C ATOM 744 C ALA A 56 -3.332 2.088 0.698 1.00 0.00 C ATOM 745 O ALA A 56 -4.477 1.876 1.097 1.00 0.00 O ATOM 746 CB ALA A 56 -1.070 2.439 1.714 1.00 0.00 C ATOM 0 H ALA A 56 -3.561 2.768 3.166 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.279 3.942 0.800 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -0.617 2.121 0.775 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.422 3.169 2.200 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.197 1.575 2.367 1.00 0.00 H new ATOM 752 N SER A 57 -2.817 1.494 -0.367 1.00 0.00 N ATOM 753 CA SER A 57 -3.583 0.549 -1.163 1.00 0.00 C ATOM 754 C SER A 57 -3.565 -0.831 -0.515 1.00 0.00 C ATOM 755 O SER A 57 -2.551 -1.534 -0.550 1.00 0.00 O ATOM 756 CB SER A 57 -3.011 0.485 -2.583 1.00 0.00 C ATOM 757 OG SER A 57 -2.275 1.664 -2.885 1.00 0.00 O ATOM 0 H SER A 57 -1.866 1.651 -0.701 1.00 0.00 H new ATOM 0 HA SER A 57 -4.618 0.886 -1.215 1.00 0.00 H new ATOM 0 HB2 SER A 57 -2.365 -0.387 -2.681 1.00 0.00 H new ATOM 0 HB3 SER A 57 -3.822 0.363 -3.301 1.00 0.00 H new ATOM 0 HG SER A 57 -1.387 1.419 -3.219 1.00 0.00 H new ATOM 763 N VAL A 58 -4.682 -1.201 0.104 1.00 0.00 N ATOM 764 CA VAL A 58 -4.800 -2.490 0.759 1.00 0.00 C ATOM 765 C VAL A 58 -5.302 -3.555 -0.209 1.00 0.00 C ATOM 766 O VAL A 58 -6.113 -3.276 -1.094 1.00 0.00 O ATOM 767 CB VAL A 58 -5.739 -2.429 1.986 1.00 0.00 C ATOM 768 CG1 VAL A 58 -5.227 -1.420 3.002 1.00 0.00 C ATOM 769 CG2 VAL A 58 -7.170 -2.099 1.575 1.00 0.00 C ATOM 0 H VAL A 58 -5.519 -0.621 0.163 1.00 0.00 H new ATOM 0 HA VAL A 58 -3.800 -2.758 1.101 1.00 0.00 H new ATOM 0 HB VAL A 58 -5.746 -3.416 2.450 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -5.901 -1.392 3.858 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.231 -1.712 3.334 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.182 -0.432 2.543 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -7.804 -2.064 2.461 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -7.191 -1.131 1.075 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -7.539 -2.866 0.895 1.00 0.00 H new ATOM 779 N LYS A 59 -4.794 -4.765 -0.049 1.00 0.00 N ATOM 780 CA LYS A 59 -5.195 -5.895 -0.874 1.00 0.00 C ATOM 781 C LYS A 59 -4.902 -7.192 -0.135 1.00 0.00 C ATOM 782 O LYS A 59 -4.264 -7.174 0.910 1.00 0.00 O ATOM 783 CB LYS A 59 -4.471 -5.868 -2.220 1.00 0.00 C ATOM 784 CG LYS A 59 -3.097 -6.509 -2.190 1.00 0.00 C ATOM 785 CD LYS A 59 -2.472 -6.523 -3.570 1.00 0.00 C ATOM 786 CE LYS A 59 -1.670 -5.263 -3.809 1.00 0.00 C ATOM 787 NZ LYS A 59 -1.511 -4.973 -5.255 1.00 0.00 N ATOM 0 H LYS A 59 -4.092 -4.993 0.655 1.00 0.00 H new ATOM 0 HA LYS A 59 -6.265 -5.828 -1.070 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -5.084 -6.380 -2.962 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.372 -4.833 -2.548 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -2.453 -5.963 -1.501 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -3.176 -7.529 -1.813 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -1.827 -7.395 -3.673 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -3.252 -6.612 -4.326 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -2.163 -4.421 -3.322 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -0.687 -5.366 -3.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -0.956 -4.102 -5.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -1.018 -5.764 -5.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -2.448 -4.849 -5.689 1.00 0.00 H new ATOM 801 N CYS A 60 -5.362 -8.302 -0.671 1.00 0.00 N ATOM 802 CA CYS A 60 -5.188 -9.583 -0.007 1.00 0.00 C ATOM 803 C CYS A 60 -4.204 -10.447 -0.779 1.00 0.00 C ATOM 804 O CYS A 60 -4.404 -10.735 -1.960 1.00 0.00 O ATOM 805 CB CYS A 60 -6.529 -10.301 0.127 1.00 0.00 C ATOM 806 SG CYS A 60 -7.278 -10.177 1.787 1.00 0.00 S ATOM 0 H CYS A 60 -5.858 -8.347 -1.561 1.00 0.00 H new ATOM 0 HA CYS A 60 -4.789 -9.404 0.991 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -7.224 -9.890 -0.605 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -6.392 -11.354 -0.120 1.00 0.00 H new ATOM 811 N CYS A 61 -3.140 -10.856 -0.115 1.00 0.00 N ATOM 812 CA CYS A 61 -2.096 -11.609 -0.778 1.00 0.00 C ATOM 813 C CYS A 61 -1.775 -12.898 -0.039 1.00 0.00 C ATOM 814 O CYS A 61 -1.695 -12.931 1.191 1.00 0.00 O ATOM 815 CB CYS A 61 -0.831 -10.764 -0.909 1.00 0.00 C ATOM 816 SG CYS A 61 -0.897 -9.509 -2.230 1.00 0.00 S ATOM 0 H CYS A 61 -2.977 -10.680 0.877 1.00 0.00 H new ATOM 0 HA CYS A 61 -2.464 -11.870 -1.770 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -0.643 -10.264 0.041 1.00 0.00 H new ATOM 0 HB3 CYS A 61 0.015 -11.425 -1.095 1.00 0.00 H new ATOM 821 N LYS A 62 -1.623 -13.958 -0.810 1.00 0.00 N ATOM 822 CA LYS A 62 -1.101 -15.213 -0.319 1.00 0.00 C ATOM 823 C LYS A 62 0.215 -15.482 -1.019 1.00 0.00 C ATOM 824 O LYS A 62 0.338 -15.287 -2.232 1.00 0.00 O ATOM 825 CB LYS A 62 -2.077 -16.365 -0.577 1.00 0.00 C ATOM 826 CG LYS A 62 -1.789 -17.606 0.257 1.00 0.00 C ATOM 827 CD LYS A 62 -1.319 -18.770 -0.604 1.00 0.00 C ATOM 828 CE LYS A 62 0.134 -19.126 -0.319 1.00 0.00 C ATOM 829 NZ LYS A 62 0.292 -20.550 0.074 1.00 0.00 N ATOM 0 H LYS A 62 -1.861 -13.969 -1.802 1.00 0.00 H new ATOM 0 HA LYS A 62 -0.957 -15.145 0.759 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -3.091 -16.025 -0.368 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.041 -16.631 -1.633 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -1.028 -17.374 1.002 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -2.689 -17.896 0.800 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -1.950 -19.639 -0.419 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -1.432 -18.513 -1.657 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.737 -18.926 -1.205 1.00 0.00 H new ATOM 0 HE3 LYS A 62 0.515 -18.486 0.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 1.296 -20.750 0.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -0.262 -20.736 0.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -0.047 -21.162 -0.695 1.00 0.00 H new ATOM 843 N ASP A 63 1.196 -15.912 -0.264 1.00 0.00 N ATOM 844 CA ASP A 63 2.515 -16.153 -0.816 1.00 0.00 C ATOM 845 C ASP A 63 3.281 -17.132 0.052 1.00 0.00 C ATOM 846 O ASP A 63 2.794 -17.552 1.103 1.00 0.00 O ATOM 847 CB ASP A 63 3.282 -14.838 -0.937 1.00 0.00 C ATOM 848 CG ASP A 63 4.131 -14.788 -2.187 1.00 0.00 C ATOM 849 OD1 ASP A 63 5.126 -15.533 -2.255 1.00 0.00 O ATOM 850 OD2 ASP A 63 3.807 -13.996 -3.098 1.00 0.00 O ATOM 0 H ASP A 63 1.111 -16.103 0.734 1.00 0.00 H new ATOM 0 HA ASP A 63 2.404 -16.587 -1.810 1.00 0.00 H new ATOM 0 HB2 ASP A 63 2.577 -14.007 -0.945 1.00 0.00 H new ATOM 0 HB3 ASP A 63 3.918 -14.708 -0.062 1.00 0.00 H new ATOM 855 N ASP A 64 4.479 -17.478 -0.381 1.00 0.00 N ATOM 856 CA ASP A 64 5.297 -18.443 0.331 1.00 0.00 C ATOM 857 C ASP A 64 6.372 -17.724 1.127 1.00 0.00 C ATOM 858 O ASP A 64 7.450 -18.262 1.383 1.00 0.00 O ATOM 859 CB ASP A 64 5.929 -19.429 -0.651 1.00 0.00 C ATOM 860 CG ASP A 64 6.039 -20.825 -0.077 1.00 0.00 C ATOM 861 OD1 ASP A 64 5.293 -21.148 0.870 1.00 0.00 O ATOM 862 OD2 ASP A 64 6.869 -21.612 -0.578 1.00 0.00 O ATOM 0 H ASP A 64 4.909 -17.103 -1.227 1.00 0.00 H new ATOM 0 HA ASP A 64 4.665 -19.002 1.021 1.00 0.00 H new ATOM 0 HB2 ASP A 64 5.334 -19.460 -1.564 1.00 0.00 H new ATOM 0 HB3 ASP A 64 6.921 -19.074 -0.930 1.00 0.00 H new ATOM 867 N VAL A 65 6.064 -16.495 1.509 1.00 0.00 N ATOM 868 CA VAL A 65 6.993 -15.666 2.256 1.00 0.00 C ATOM 869 C VAL A 65 7.126 -16.157 3.692 1.00 0.00 C ATOM 870 O VAL A 65 6.128 -16.368 4.389 1.00 0.00 O ATOM 871 CB VAL A 65 6.554 -14.189 2.272 1.00 0.00 C ATOM 872 CG1 VAL A 65 7.687 -13.297 2.754 1.00 0.00 C ATOM 873 CG2 VAL A 65 6.073 -13.756 0.896 1.00 0.00 C ATOM 0 H VAL A 65 5.169 -16.047 1.311 1.00 0.00 H new ATOM 0 HA VAL A 65 7.956 -15.741 1.752 1.00 0.00 H new ATOM 0 HB VAL A 65 5.722 -14.088 2.969 1.00 0.00 H new ATOM 0 HG11 VAL A 65 7.356 -12.258 2.758 1.00 0.00 H new ATOM 0 HG12 VAL A 65 7.976 -13.589 3.764 1.00 0.00 H new ATOM 0 HG13 VAL A 65 8.542 -13.403 2.087 1.00 0.00 H new ATOM 0 HG21 VAL A 65 5.768 -12.710 0.930 1.00 0.00 H new ATOM 0 HG22 VAL A 65 6.881 -13.875 0.174 1.00 0.00 H new ATOM 0 HG23 VAL A 65 5.225 -14.372 0.597 1.00 0.00 H new ATOM 883 N THR A 66 8.361 -16.350 4.112 1.00 0.00 N ATOM 884 CA THR A 66 8.660 -16.724 5.477 1.00 0.00 C ATOM 885 C THR A 66 9.512 -15.626 6.123 1.00 0.00 C ATOM 886 O THR A 66 9.757 -14.587 5.506 1.00 0.00 O ATOM 887 CB THR A 66 9.380 -18.094 5.525 1.00 0.00 C ATOM 888 OG1 THR A 66 9.450 -18.585 6.870 1.00 0.00 O ATOM 889 CG2 THR A 66 10.777 -18.004 4.937 1.00 0.00 C ATOM 0 H THR A 66 9.183 -16.252 3.516 1.00 0.00 H new ATOM 0 HA THR A 66 7.731 -16.827 6.037 1.00 0.00 H new ATOM 0 HB THR A 66 8.797 -18.791 4.923 1.00 0.00 H new ATOM 0 HG1 THR A 66 9.907 -19.452 6.878 1.00 0.00 H new ATOM 0 HG21 THR A 66 11.256 -18.982 4.986 1.00 0.00 H new ATOM 0 HG22 THR A 66 10.714 -17.682 3.898 1.00 0.00 H new ATOM 0 HG23 THR A 66 11.365 -17.283 5.505 1.00 0.00 H new ATOM 897 N ASN A 67 9.966 -15.846 7.350 1.00 0.00 N ATOM 898 CA ASN A 67 10.713 -14.822 8.075 1.00 0.00 C ATOM 899 C ASN A 67 12.163 -14.764 7.609 1.00 0.00 C ATOM 900 O ASN A 67 12.881 -13.804 7.890 1.00 0.00 O ATOM 901 CB ASN A 67 10.661 -15.075 9.585 1.00 0.00 C ATOM 902 CG ASN A 67 9.752 -14.098 10.307 1.00 0.00 C ATOM 903 OD1 ASN A 67 8.712 -14.480 10.841 1.00 0.00 O ATOM 904 ND2 ASN A 67 10.138 -12.833 10.339 1.00 0.00 N ATOM 0 H ASN A 67 9.832 -16.718 7.863 1.00 0.00 H new ATOM 0 HA ASN A 67 10.243 -13.862 7.862 1.00 0.00 H new ATOM 0 HB2 ASN A 67 10.314 -16.092 9.768 1.00 0.00 H new ATOM 0 HB3 ASN A 67 11.667 -15.002 9.997 1.00 0.00 H new ATOM 0 HD21 ASN A 67 9.566 -12.137 10.818 1.00 0.00 H new ATOM 0 HD22 ASN A 67 11.007 -12.553 9.885 1.00 0.00 H new ATOM 911 N THR A 68 12.584 -15.789 6.885 1.00 0.00 N ATOM 912 CA THR A 68 13.930 -15.836 6.336 1.00 0.00 C ATOM 913 C THR A 68 14.023 -15.012 5.054 1.00 0.00 C ATOM 914 O THR A 68 14.151 -15.558 3.954 1.00 0.00 O ATOM 915 CB THR A 68 14.358 -17.286 6.047 1.00 0.00 C ATOM 916 OG1 THR A 68 13.468 -18.198 6.704 1.00 0.00 O ATOM 917 CG2 THR A 68 15.783 -17.534 6.515 1.00 0.00 C ATOM 0 H THR A 68 12.010 -16.603 6.663 1.00 0.00 H new ATOM 0 HA THR A 68 14.603 -15.412 7.081 1.00 0.00 H new ATOM 0 HB THR A 68 14.315 -17.447 4.970 1.00 0.00 H new ATOM 0 HG1 THR A 68 13.745 -19.119 6.515 1.00 0.00 H new ATOM 0 HG21 THR A 68 16.062 -18.565 6.300 1.00 0.00 H new ATOM 0 HG22 THR A 68 16.460 -16.858 5.993 1.00 0.00 H new ATOM 0 HG23 THR A 68 15.850 -17.356 7.588 1.00 0.00 H new ATOM 925 N GLY A 69 13.943 -13.699 5.204 1.00 0.00 N ATOM 926 CA GLY A 69 14.027 -12.811 4.063 1.00 0.00 C ATOM 927 C GLY A 69 14.307 -11.384 4.478 1.00 0.00 C ATOM 928 O GLY A 69 15.438 -10.908 4.378 1.00 0.00 O ATOM 0 H GLY A 69 13.821 -13.230 6.101 1.00 0.00 H new ATOM 0 HA2 GLY A 69 14.814 -13.155 3.392 1.00 0.00 H new ATOM 0 HA3 GLY A 69 13.092 -12.850 3.503 1.00 0.00 H new ATOM 932 N ASN A 70 13.281 -10.701 4.955 1.00 0.00 N ATOM 933 CA ASN A 70 13.427 -9.326 5.414 1.00 0.00 C ATOM 934 C ASN A 70 12.601 -9.102 6.673 1.00 0.00 C ATOM 935 O ASN A 70 11.815 -9.966 7.066 1.00 0.00 O ATOM 936 CB ASN A 70 13.004 -8.342 4.319 1.00 0.00 C ATOM 937 CG ASN A 70 13.670 -6.985 4.470 1.00 0.00 C ATOM 938 OD1 ASN A 70 13.158 -6.102 5.158 1.00 0.00 O ATOM 939 ND2 ASN A 70 14.818 -6.812 3.834 1.00 0.00 N ATOM 0 H ASN A 70 12.335 -11.075 5.036 1.00 0.00 H new ATOM 0 HA ASN A 70 14.477 -9.150 5.646 1.00 0.00 H new ATOM 0 HB2 ASN A 70 13.253 -8.759 3.343 1.00 0.00 H new ATOM 0 HB3 ASN A 70 11.921 -8.217 4.345 1.00 0.00 H new ATOM 0 HD21 ASN A 70 15.311 -5.922 3.905 1.00 0.00 H new ATOM 0 HD22 ASN A 70 15.210 -7.569 3.273 1.00 0.00 H new ATOM 946 N SER A 71 12.791 -7.952 7.304 1.00 0.00 N ATOM 947 CA SER A 71 12.067 -7.606 8.515 1.00 0.00 C ATOM 948 C SER A 71 10.608 -7.304 8.187 1.00 0.00 C ATOM 949 O SER A 71 9.726 -7.415 9.038 1.00 0.00 O ATOM 950 CB SER A 71 12.737 -6.405 9.173 1.00 0.00 C ATOM 951 OG SER A 71 13.939 -6.072 8.491 1.00 0.00 O ATOM 0 H SER A 71 13.448 -7.237 6.992 1.00 0.00 H new ATOM 0 HA SER A 71 12.088 -8.446 9.209 1.00 0.00 H new ATOM 0 HB2 SER A 71 12.058 -5.552 9.164 1.00 0.00 H new ATOM 0 HB3 SER A 71 12.954 -6.629 10.217 1.00 0.00 H new ATOM 0 HG SER A 71 14.357 -5.298 8.924 1.00 0.00 H new ATOM 957 N PHE A 72 10.367 -6.907 6.946 1.00 0.00 N ATOM 958 CA PHE A 72 9.013 -6.774 6.440 1.00 0.00 C ATOM 959 C PHE A 72 8.743 -7.915 5.467 1.00 0.00 C ATOM 960 O PHE A 72 9.643 -8.340 4.735 1.00 0.00 O ATOM 961 CB PHE A 72 8.801 -5.396 5.781 1.00 0.00 C ATOM 962 CG PHE A 72 9.076 -5.347 4.300 1.00 0.00 C ATOM 963 CD1 PHE A 72 10.374 -5.278 3.823 1.00 0.00 C ATOM 964 CD2 PHE A 72 8.032 -5.358 3.388 1.00 0.00 C ATOM 965 CE1 PHE A 72 10.627 -5.224 2.466 1.00 0.00 C ATOM 966 CE2 PHE A 72 8.278 -5.306 2.031 1.00 0.00 C ATOM 967 CZ PHE A 72 9.578 -5.237 1.568 1.00 0.00 C ATOM 0 H PHE A 72 11.095 -6.671 6.271 1.00 0.00 H new ATOM 0 HA PHE A 72 8.303 -6.835 7.264 1.00 0.00 H new ATOM 0 HB2 PHE A 72 7.772 -5.082 5.954 1.00 0.00 H new ATOM 0 HB3 PHE A 72 9.444 -4.670 6.278 1.00 0.00 H new ATOM 0 HD1 PHE A 72 11.199 -5.266 4.520 1.00 0.00 H new ATOM 0 HD2 PHE A 72 7.014 -5.408 3.744 1.00 0.00 H new ATOM 0 HE1 PHE A 72 11.644 -5.172 2.108 1.00 0.00 H new ATOM 0 HE2 PHE A 72 7.455 -5.319 1.332 1.00 0.00 H new ATOM 0 HZ PHE A 72 9.773 -5.193 0.507 1.00 0.00 H new ATOM 977 N LEU A 73 7.528 -8.433 5.478 1.00 0.00 N ATOM 978 CA LEU A 73 7.194 -9.568 4.631 1.00 0.00 C ATOM 979 C LEU A 73 6.945 -9.113 3.201 1.00 0.00 C ATOM 980 O LEU A 73 5.829 -8.739 2.839 1.00 0.00 O ATOM 981 CB LEU A 73 5.964 -10.298 5.175 1.00 0.00 C ATOM 982 CG LEU A 73 6.185 -11.063 6.483 1.00 0.00 C ATOM 983 CD1 LEU A 73 4.894 -11.736 6.920 1.00 0.00 C ATOM 984 CD2 LEU A 73 7.301 -12.087 6.324 1.00 0.00 C ATOM 0 H LEU A 73 6.761 -8.091 6.058 1.00 0.00 H new ATOM 0 HA LEU A 73 8.039 -10.257 4.634 1.00 0.00 H new ATOM 0 HB2 LEU A 73 5.168 -9.570 5.329 1.00 0.00 H new ATOM 0 HB3 LEU A 73 5.613 -10.999 4.418 1.00 0.00 H new ATOM 0 HG LEU A 73 6.485 -10.355 7.255 1.00 0.00 H new ATOM 0 HD11 LEU A 73 5.063 -12.277 7.851 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.124 -10.980 7.074 1.00 0.00 H new ATOM 0 HD13 LEU A 73 4.568 -12.434 6.149 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.442 -12.620 7.264 1.00 0.00 H new ATOM 0 HD22 LEU A 73 7.035 -12.797 5.541 1.00 0.00 H new ATOM 0 HD23 LEU A 73 8.226 -11.578 6.053 1.00 0.00 H new ATOM 996 N ILE A 74 7.997 -9.153 2.397 1.00 0.00 N ATOM 997 CA ILE A 74 7.907 -8.802 0.990 1.00 0.00 C ATOM 998 C ILE A 74 7.210 -9.917 0.221 1.00 0.00 C ATOM 999 O ILE A 74 7.612 -11.077 0.289 1.00 0.00 O ATOM 1000 CB ILE A 74 9.307 -8.528 0.383 1.00 0.00 C ATOM 1001 CG1 ILE A 74 9.252 -8.553 -1.148 1.00 0.00 C ATOM 1002 CG2 ILE A 74 10.328 -9.535 0.897 1.00 0.00 C ATOM 1003 CD1 ILE A 74 9.505 -7.206 -1.786 1.00 0.00 C ATOM 0 H ILE A 74 8.931 -9.428 2.700 1.00 0.00 H new ATOM 0 HA ILE A 74 7.323 -7.885 0.907 1.00 0.00 H new ATOM 0 HB ILE A 74 9.620 -7.533 0.698 1.00 0.00 H new ATOM 0 HG12 ILE A 74 9.990 -9.265 -1.518 1.00 0.00 H new ATOM 0 HG13 ILE A 74 8.273 -8.916 -1.462 1.00 0.00 H new ATOM 0 HG21 ILE A 74 11.302 -9.322 0.457 1.00 0.00 H new ATOM 0 HG22 ILE A 74 10.396 -9.462 1.982 1.00 0.00 H new ATOM 0 HG23 ILE A 74 10.017 -10.542 0.620 1.00 0.00 H new ATOM 0 HD11 ILE A 74 9.450 -7.301 -2.870 1.00 0.00 H new ATOM 0 HD12 ILE A 74 8.752 -6.495 -1.446 1.00 0.00 H new ATOM 0 HD13 ILE A 74 10.495 -6.849 -1.503 1.00 0.00 H new ATOM 1015 N ILE A 75 6.167 -9.560 -0.501 1.00 0.00 N ATOM 1016 CA ILE A 75 5.368 -10.540 -1.216 1.00 0.00 C ATOM 1017 C ILE A 75 5.855 -10.700 -2.647 1.00 0.00 C ATOM 1018 O ILE A 75 6.157 -9.718 -3.325 1.00 0.00 O ATOM 1019 CB ILE A 75 3.870 -10.156 -1.235 1.00 0.00 C ATOM 1020 CG1 ILE A 75 3.683 -8.670 -0.920 1.00 0.00 C ATOM 1021 CG2 ILE A 75 3.093 -11.008 -0.247 1.00 0.00 C ATOM 1022 CD1 ILE A 75 2.319 -8.132 -1.298 1.00 0.00 C ATOM 0 H ILE A 75 5.851 -8.596 -0.609 1.00 0.00 H new ATOM 0 HA ILE A 75 5.481 -11.484 -0.683 1.00 0.00 H new ATOM 0 HB ILE A 75 3.484 -10.342 -2.237 1.00 0.00 H new ATOM 0 HG12 ILE A 75 3.843 -8.511 0.146 1.00 0.00 H new ATOM 0 HG13 ILE A 75 4.447 -8.098 -1.446 1.00 0.00 H new ATOM 0 HG21 ILE A 75 2.040 -10.726 -0.272 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.193 -12.060 -0.516 1.00 0.00 H new ATOM 0 HG23 ILE A 75 3.487 -10.851 0.757 1.00 0.00 H new ATOM 0 HD11 ILE A 75 2.262 -7.073 -1.044 1.00 0.00 H new ATOM 0 HD12 ILE A 75 2.163 -8.257 -2.369 1.00 0.00 H new ATOM 0 HD13 ILE A 75 1.549 -8.677 -0.753 1.00 0.00 H new ATOM 1034 N ASN A 76 5.922 -11.943 -3.101 1.00 0.00 N ATOM 1035 CA ASN A 76 6.354 -12.245 -4.460 1.00 0.00 C ATOM 1036 C ASN A 76 5.198 -12.036 -5.428 1.00 0.00 C ATOM 1037 O ASN A 76 5.354 -12.156 -6.645 1.00 0.00 O ATOM 1038 CB ASN A 76 6.860 -13.689 -4.546 1.00 0.00 C ATOM 1039 CG ASN A 76 7.664 -13.958 -5.805 1.00 0.00 C ATOM 1040 OD1 ASN A 76 8.406 -13.098 -6.281 1.00 0.00 O ATOM 1041 ND2 ASN A 76 7.526 -15.159 -6.348 1.00 0.00 N ATOM 0 H ASN A 76 5.681 -12.764 -2.545 1.00 0.00 H new ATOM 0 HA ASN A 76 7.169 -11.574 -4.730 1.00 0.00 H new ATOM 0 HB2 ASN A 76 7.477 -13.905 -3.674 1.00 0.00 H new ATOM 0 HB3 ASN A 76 6.009 -14.370 -4.512 1.00 0.00 H new ATOM 0 HD21 ASN A 76 8.045 -15.400 -7.192 1.00 0.00 H new ATOM 0 HD22 ASN A 76 6.901 -15.843 -5.922 1.00 0.00 H new ATOM 1048 N ALA A 77 4.031 -11.733 -4.859 1.00 0.00 N ATOM 1049 CA ALA A 77 2.814 -11.484 -5.623 1.00 0.00 C ATOM 1050 C ALA A 77 2.379 -12.740 -6.362 1.00 0.00 C ATOM 1051 O ALA A 77 1.711 -12.664 -7.396 1.00 0.00 O ATOM 1052 CB ALA A 77 3.003 -10.324 -6.591 1.00 0.00 C ATOM 0 H ALA A 77 3.905 -11.654 -3.850 1.00 0.00 H new ATOM 0 HA ALA A 77 2.026 -11.209 -4.922 1.00 0.00 H new ATOM 0 HB1 ALA A 77 2.080 -10.160 -7.147 1.00 0.00 H new ATOM 0 HB2 ALA A 77 3.255 -9.422 -6.033 1.00 0.00 H new ATOM 0 HB3 ALA A 77 3.809 -10.558 -7.286 1.00 0.00 H new ATOM 1058 N ALA A 78 2.752 -13.894 -5.813 1.00 0.00 N ATOM 1059 CA ALA A 78 2.417 -15.170 -6.424 1.00 0.00 C ATOM 1060 C ALA A 78 0.909 -15.371 -6.440 1.00 0.00 C ATOM 1061 O ALA A 78 0.330 -15.764 -7.454 1.00 0.00 O ATOM 1062 CB ALA A 78 3.102 -16.310 -5.684 1.00 0.00 C ATOM 0 H ALA A 78 3.286 -13.968 -4.947 1.00 0.00 H new ATOM 0 HA ALA A 78 2.774 -15.166 -7.454 1.00 0.00 H new ATOM 0 HB1 ALA A 78 2.841 -17.258 -6.154 1.00 0.00 H new ATOM 0 HB2 ALA A 78 4.182 -16.172 -5.723 1.00 0.00 H new ATOM 0 HB3 ALA A 78 2.774 -16.318 -4.645 1.00 0.00 H new ATOM 1068 N ASN A 79 0.274 -15.086 -5.311 1.00 0.00 N ATOM 1069 CA ASN A 79 -1.173 -15.182 -5.202 1.00 0.00 C ATOM 1070 C ASN A 79 -1.727 -13.901 -4.595 1.00 0.00 C ATOM 1071 O ASN A 79 -2.105 -13.871 -3.429 1.00 0.00 O ATOM 1072 CB ASN A 79 -1.593 -16.386 -4.340 1.00 0.00 C ATOM 1073 CG ASN A 79 -0.694 -17.602 -4.504 1.00 0.00 C ATOM 1074 OD1 ASN A 79 -1.022 -18.535 -5.233 1.00 0.00 O ATOM 1075 ND2 ASN A 79 0.445 -17.604 -3.821 1.00 0.00 N ATOM 0 H ASN A 79 0.741 -14.786 -4.456 1.00 0.00 H new ATOM 0 HA ASN A 79 -1.579 -15.324 -6.204 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -1.596 -16.087 -3.292 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -2.615 -16.665 -4.595 1.00 0.00 H new ATOM 0 HD21 ASN A 79 1.081 -18.398 -3.892 1.00 0.00 H new ATOM 0 HD22 ASN A 79 0.684 -16.811 -3.225 1.00 0.00 H new ATOM 1082 N CYS A 80 -1.774 -12.840 -5.382 1.00 0.00 N ATOM 1083 CA CYS A 80 -2.257 -11.558 -4.888 1.00 0.00 C ATOM 1084 C CYS A 80 -3.554 -11.177 -5.585 1.00 0.00 C ATOM 1085 O CYS A 80 -3.645 -11.225 -6.815 1.00 0.00 O ATOM 1086 CB CYS A 80 -1.202 -10.466 -5.101 1.00 0.00 C ATOM 1087 SG CYS A 80 0.068 -10.385 -3.789 1.00 0.00 S ATOM 0 H CYS A 80 -1.486 -12.838 -6.360 1.00 0.00 H new ATOM 0 HA CYS A 80 -2.448 -11.652 -3.819 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -0.709 -10.635 -6.058 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -1.703 -9.500 -5.166 1.00 0.00 H new ATOM 1092 N VAL A 81 -4.557 -10.808 -4.802 1.00 0.00 N ATOM 1093 CA VAL A 81 -5.862 -10.461 -5.342 1.00 0.00 C ATOM 1094 C VAL A 81 -6.421 -9.221 -4.660 1.00 0.00 C ATOM 1095 O VAL A 81 -5.995 -8.856 -3.561 1.00 0.00 O ATOM 1096 CB VAL A 81 -6.883 -11.612 -5.186 1.00 0.00 C ATOM 1097 CG1 VAL A 81 -6.731 -12.621 -6.312 1.00 0.00 C ATOM 1098 CG2 VAL A 81 -6.742 -12.289 -3.828 1.00 0.00 C ATOM 0 H VAL A 81 -4.491 -10.741 -3.786 1.00 0.00 H new ATOM 0 HA VAL A 81 -5.712 -10.267 -6.404 1.00 0.00 H new ATOM 0 HB VAL A 81 -7.884 -11.185 -5.244 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -7.459 -13.422 -6.183 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -6.901 -12.127 -7.269 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -5.724 -13.038 -6.293 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -7.472 -13.094 -3.745 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -5.737 -12.699 -3.728 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -6.916 -11.559 -3.038 1.00 0.00 H new ATOM 1108 N ALA A 82 -7.366 -8.578 -5.321 1.00 0.00 N ATOM 1109 CA ALA A 82 -8.023 -7.401 -4.782 1.00 0.00 C ATOM 1110 C ALA A 82 -9.496 -7.434 -5.149 1.00 0.00 C ATOM 1111 O ALA A 82 -9.840 -8.147 -6.116 1.00 0.00 O ATOM 1112 CB ALA A 82 -7.371 -6.132 -5.308 1.00 0.00 C ATOM 1113 OXT ALA A 82 -10.300 -6.770 -4.471 1.00 0.00 O ATOM 0 H ALA A 82 -7.699 -8.856 -6.244 1.00 0.00 H new ATOM 0 HA ALA A 82 -7.923 -7.403 -3.697 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -7.879 -5.262 -4.891 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -6.321 -6.114 -5.015 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -7.445 -6.109 -6.395 1.00 0.00 H new