USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 706 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 90 HIS : no HE2:sc= 0.0775 K(o=0.22,f=-4!) USER MOD Set 1.2: A 100 TYR OH : rot -57:sc= 0.138 USER MOD Set 2.1: A 67 SER OG : rot 59:sc= 0.616! USER MOD Set 2.2: A 86 ASN :FLIP amide:sc= -4.14! C(o=-8.4!,f=-3.5!) USER MOD Set 3.1: A 21 THR OG1 : rot -72:sc= 0.262 USER MOD Set 3.2: A 31 THR OG1 : rot 180:sc= 0.234 USER MOD Set 4.1: A 30 ASN : amide:sc= -0.344 X(o=-0.6,f=-0.28) USER MOD Set 4.2: A 32 SER OG : rot 66:sc= -0.253 USER MOD Set 5.1: A 7 THR OG1 : rot -62:sc= 1.05 USER MOD Set 5.2: A 93 ASN : amide:sc= -2.2 K(o=-1.1,f=-7.4!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 GLN :FLIP amide:sc= -0.285 F(o=-1.1,f=-0.28) USER MOD Single : A 9 TYR OH : rot -8:sc= 0.879 USER MOD Single : A 10 ASN : amide:sc= -0.658 K(o=-0.66,f=-2.8!) USER MOD Single : A 11 SER OG : rot 180:sc= -0.822 USER MOD Single : A 14 GLN : amide:sc= -0.454 X(o=-0.45,f=-0.31) USER MOD Single : A 16 SER OG : rot 64:sc= 0.746 USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.397 USER MOD Single : A 20 SER OG : rot -11:sc= 0.0353 USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.315 USER MOD Single : A 26 ASN : amide:sc= -0.0239 X(o=-0.024,f=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN :FLIP amide:sc= -1.51 F(o=-2.7!,f=-1.5) USER MOD Single : A 38 SER OG : rot -36:sc= 0.41 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 164:sc= -0.997 (180deg=-1.88!) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=-0.086) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 61 THR OG1 : rot 140:sc= 0.00618 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 66 SER OG : rot 78:sc= 0.965 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot -82:sc= 0.974 USER MOD Single : A 79 GLN : amide:sc= -0.304 X(o=-0.3,f=-0.047) USER MOD Single : A 82 SER OG : rot 28:sc= 0.972 USER MOD Single : A 83 THR OG1 : rot -61:sc= 0.596 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 THR OG1 : rot -83:sc= 0.573 USER MOD Single : A 99 LYS NZ :NH3+ 146:sc= -0.276 (180deg=-1.56!) USER MOD ----------------------------------------------------------------- ATOM 22 N GLY A 2 -3.624 -1.664 -11.546 1.00 0.00 N ATOM 23 CA GLY A 2 -3.678 -0.915 -10.307 1.00 0.00 C ATOM 24 C GLY A 2 -4.928 -0.068 -10.161 1.00 0.00 C ATOM 25 O GLY A 2 -6.051 -0.556 -10.271 1.00 0.00 O ATOM 0 HA2 GLY A 2 -3.621 -1.610 -9.470 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -2.802 -0.269 -10.245 1.00 0.00 H new ATOM 29 N LYS A 3 -4.705 1.220 -9.951 1.00 0.00 N ATOM 30 CA LYS A 3 -5.789 2.190 -9.811 1.00 0.00 C ATOM 31 C LYS A 3 -6.979 1.607 -9.025 1.00 0.00 C ATOM 32 O LYS A 3 -8.040 1.338 -9.587 1.00 0.00 O ATOM 33 CB LYS A 3 -6.220 2.664 -11.226 1.00 0.00 C ATOM 34 CG LYS A 3 -5.558 4.016 -11.588 1.00 0.00 C ATOM 35 CD LYS A 3 -4.016 3.888 -11.657 1.00 0.00 C ATOM 36 CE LYS A 3 -3.570 3.427 -13.051 1.00 0.00 C ATOM 37 NZ LYS A 3 -2.182 2.895 -12.969 1.00 0.00 N ATOM 0 H LYS A 3 -3.772 1.625 -9.872 1.00 0.00 H new ATOM 0 HA LYS A 3 -5.432 3.044 -9.235 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -5.944 1.911 -11.965 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -7.305 2.765 -11.264 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -5.939 4.364 -12.548 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -5.830 4.767 -10.846 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -3.556 4.848 -11.422 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -3.672 3.177 -10.906 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -4.245 2.658 -13.426 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -3.612 4.259 -13.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -1.874 2.581 -13.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -1.544 3.642 -12.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -2.157 2.090 -12.311 1.00 0.00 H new ATOM 51 N PHE A 4 -6.802 1.455 -7.707 1.00 0.00 N ATOM 52 CA PHE A 4 -7.878 0.952 -6.842 1.00 0.00 C ATOM 53 C PHE A 4 -8.607 2.140 -6.224 1.00 0.00 C ATOM 54 O PHE A 4 -9.826 2.125 -6.066 1.00 0.00 O ATOM 55 CB PHE A 4 -7.325 0.039 -5.727 1.00 0.00 C ATOM 56 CG PHE A 4 -6.571 0.847 -4.693 1.00 0.00 C ATOM 57 CD1 PHE A 4 -5.303 1.368 -5.008 1.00 0.00 C ATOM 58 CD2 PHE A 4 -7.132 1.079 -3.416 1.00 0.00 C ATOM 59 CE1 PHE A 4 -4.594 2.118 -4.057 1.00 0.00 C ATOM 60 CE2 PHE A 4 -6.418 1.832 -2.459 1.00 0.00 C ATOM 61 CZ PHE A 4 -5.146 2.352 -2.779 1.00 0.00 C ATOM 0 H PHE A 4 -5.933 1.671 -7.219 1.00 0.00 H new ATOM 0 HA PHE A 4 -8.564 0.358 -7.446 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -8.146 -0.496 -5.249 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -6.664 -0.712 -6.160 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -4.874 1.191 -5.983 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -8.106 0.680 -3.173 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -3.622 2.518 -4.304 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -6.845 2.010 -1.483 1.00 0.00 H new ATOM 0 HZ PHE A 4 -4.596 2.927 -2.049 1.00 0.00 H new ATOM 71 N SER A 5 -7.833 3.171 -5.888 1.00 0.00 N ATOM 72 CA SER A 5 -8.382 4.382 -5.293 1.00 0.00 C ATOM 73 C SER A 5 -9.476 4.976 -6.180 1.00 0.00 C ATOM 74 O SER A 5 -10.363 5.679 -5.696 1.00 0.00 O ATOM 75 CB SER A 5 -7.256 5.402 -5.078 1.00 0.00 C ATOM 76 OG SER A 5 -7.588 6.238 -3.978 1.00 0.00 O ATOM 0 H SER A 5 -6.822 3.189 -6.019 1.00 0.00 H new ATOM 0 HA SER A 5 -8.830 4.130 -4.331 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.314 4.887 -4.888 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.116 6.002 -5.977 1.00 0.00 H new ATOM 0 HG SER A 5 -6.871 6.891 -3.835 1.00 0.00 H new ATOM 82 N GLN A 6 -9.410 4.687 -7.477 1.00 0.00 N ATOM 83 CA GLN A 6 -10.404 5.204 -8.413 1.00 0.00 C ATOM 84 C GLN A 6 -11.774 4.602 -8.126 1.00 0.00 C ATOM 85 O GLN A 6 -12.802 5.229 -8.380 1.00 0.00 O ATOM 86 CB GLN A 6 -9.996 4.879 -9.853 1.00 0.00 C ATOM 87 CG GLN A 6 -8.685 5.595 -10.199 1.00 0.00 C ATOM 88 CD GLN A 6 -8.469 5.576 -11.715 1.00 0.00 C ATOM 89 OE1 GLN A 6 -8.650 4.464 -12.374 1.00 0.00 O flip ATOM 90 NE2 GLN A 6 -8.139 6.584 -12.305 1.00 0.00 N flip ATOM 0 H GLN A 6 -8.688 4.104 -7.900 1.00 0.00 H new ATOM 0 HA GLN A 6 -10.458 6.286 -8.288 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -9.875 3.802 -9.971 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -10.782 5.189 -10.542 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -8.716 6.624 -9.840 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -7.850 5.107 -9.697 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -7.998 7.453 -11.790 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -8.003 6.562 -13.316 1.00 0.00 H new ATOM 99 N THR A 7 -11.780 3.381 -7.594 1.00 0.00 N ATOM 100 CA THR A 7 -13.027 2.683 -7.265 1.00 0.00 C ATOM 101 C THR A 7 -12.979 2.191 -5.821 1.00 0.00 C ATOM 102 O THR A 7 -13.561 1.163 -5.477 1.00 0.00 O ATOM 103 CB THR A 7 -13.245 1.483 -8.209 1.00 0.00 C ATOM 104 OG1 THR A 7 -14.252 0.632 -7.679 1.00 0.00 O ATOM 105 CG2 THR A 7 -11.942 0.704 -8.362 1.00 0.00 C ATOM 0 H THR A 7 -10.935 2.852 -7.380 1.00 0.00 H new ATOM 0 HA THR A 7 -13.855 3.381 -7.388 1.00 0.00 H new ATOM 0 HB THR A 7 -13.561 1.849 -9.186 1.00 0.00 H new ATOM 0 HG1 THR A 7 -13.958 0.276 -6.815 1.00 0.00 H new ATOM 0 HG21 THR A 7 -12.101 -0.143 -9.030 1.00 0.00 H new ATOM 0 HG22 THR A 7 -11.175 1.356 -8.779 1.00 0.00 H new ATOM 0 HG23 THR A 7 -11.618 0.341 -7.386 1.00 0.00 H new ATOM 113 N CYS A 8 -12.291 2.957 -4.972 1.00 0.00 N ATOM 114 CA CYS A 8 -12.174 2.624 -3.551 1.00 0.00 C ATOM 115 C CYS A 8 -12.175 3.892 -2.710 1.00 0.00 C ATOM 116 O CYS A 8 -11.522 4.878 -3.048 1.00 0.00 O ATOM 117 CB CYS A 8 -10.899 1.818 -3.283 1.00 0.00 C ATOM 118 SG CYS A 8 -11.062 0.169 -4.006 1.00 0.00 S ATOM 0 H CYS A 8 -11.806 3.812 -5.244 1.00 0.00 H new ATOM 0 HA CYS A 8 -13.033 2.013 -3.273 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -10.036 2.330 -3.710 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -10.725 1.740 -2.210 1.00 0.00 H new ATOM 123 N TYR A 9 -12.930 3.856 -1.611 1.00 0.00 N ATOM 124 CA TYR A 9 -13.042 5.003 -0.705 1.00 0.00 C ATOM 125 C TYR A 9 -12.853 4.561 0.744 1.00 0.00 C ATOM 126 O TYR A 9 -12.898 3.369 1.049 1.00 0.00 O ATOM 127 CB TYR A 9 -14.418 5.654 -0.871 1.00 0.00 C ATOM 128 CG TYR A 9 -15.506 4.648 -0.560 1.00 0.00 C ATOM 129 CD1 TYR A 9 -15.942 3.743 -1.553 1.00 0.00 C ATOM 130 CD2 TYR A 9 -16.087 4.613 0.725 1.00 0.00 C ATOM 131 CE1 TYR A 9 -16.959 2.807 -1.259 1.00 0.00 C ATOM 132 CE2 TYR A 9 -17.099 3.675 1.021 1.00 0.00 C ATOM 133 CZ TYR A 9 -17.538 2.774 0.029 1.00 0.00 C ATOM 134 OH TYR A 9 -18.597 1.929 0.287 1.00 0.00 O ATOM 0 H TYR A 9 -13.475 3.043 -1.325 1.00 0.00 H new ATOM 0 HA TYR A 9 -12.263 5.724 -0.953 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -14.505 6.514 -0.207 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -14.534 6.025 -1.889 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -15.498 3.766 -2.537 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -15.756 5.306 1.484 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -17.294 2.117 -2.019 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -17.537 3.647 2.008 1.00 0.00 H new ATOM 0 HH TYR A 9 -18.901 1.520 -0.550 1.00 0.00 H new ATOM 144 N ASN A 10 -12.619 5.534 1.624 1.00 0.00 N ATOM 145 CA ASN A 10 -12.401 5.254 3.043 1.00 0.00 C ATOM 146 C ASN A 10 -11.153 4.403 3.228 1.00 0.00 C ATOM 147 O ASN A 10 -11.130 3.483 4.046 1.00 0.00 O ATOM 148 CB ASN A 10 -13.614 4.540 3.652 1.00 0.00 C ATOM 149 CG ASN A 10 -13.454 4.461 5.171 1.00 0.00 C ATOM 150 OD1 ASN A 10 -12.582 5.090 5.736 1.00 0.00 O ATOM 151 ND2 ASN A 10 -14.269 3.710 5.860 1.00 0.00 N ATOM 0 H ASN A 10 -12.576 6.523 1.379 1.00 0.00 H new ATOM 0 HA ASN A 10 -12.264 6.205 3.558 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -14.529 5.077 3.400 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -13.707 3.538 3.233 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -14.174 3.651 6.874 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -15.001 3.182 5.385 1.00 0.00 H new ATOM 158 N SER A 11 -10.112 4.723 2.463 1.00 0.00 N ATOM 159 CA SER A 11 -8.857 3.989 2.551 1.00 0.00 C ATOM 160 C SER A 11 -8.103 4.379 3.813 1.00 0.00 C ATOM 161 O SER A 11 -8.209 5.508 4.289 1.00 0.00 O ATOM 162 CB SER A 11 -7.991 4.267 1.321 1.00 0.00 C ATOM 163 OG SER A 11 -7.887 5.670 1.125 1.00 0.00 O ATOM 0 H SER A 11 -10.114 5.481 1.780 1.00 0.00 H new ATOM 0 HA SER A 11 -9.083 2.924 2.590 1.00 0.00 H new ATOM 0 HB2 SER A 11 -7.000 3.833 1.454 1.00 0.00 H new ATOM 0 HB3 SER A 11 -8.429 3.797 0.440 1.00 0.00 H new ATOM 0 HG SER A 11 -7.331 5.850 0.338 1.00 0.00 H new ATOM 169 N ALA A 12 -7.346 3.432 4.355 1.00 0.00 N ATOM 170 CA ALA A 12 -6.575 3.673 5.572 1.00 0.00 C ATOM 171 C ALA A 12 -5.346 2.784 5.594 1.00 0.00 C ATOM 172 O ALA A 12 -5.350 1.691 5.028 1.00 0.00 O ATOM 173 CB ALA A 12 -7.437 3.388 6.792 1.00 0.00 C ATOM 0 H ALA A 12 -7.249 2.491 3.973 1.00 0.00 H new ATOM 0 HA ALA A 12 -6.259 4.716 5.590 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -6.858 3.569 7.697 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -8.309 4.042 6.782 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -7.763 2.348 6.772 1.00 0.00 H new ATOM 179 N ILE A 13 -4.284 3.259 6.239 1.00 0.00 N ATOM 180 CA ILE A 13 -3.037 2.502 6.327 1.00 0.00 C ATOM 181 C ILE A 13 -2.453 2.630 7.722 1.00 0.00 C ATOM 182 O ILE A 13 -2.430 3.718 8.298 1.00 0.00 O ATOM 183 CB ILE A 13 -2.006 3.016 5.300 1.00 0.00 C ATOM 184 CG1 ILE A 13 -2.532 2.708 3.894 1.00 0.00 C ATOM 185 CG2 ILE A 13 -0.658 2.307 5.524 1.00 0.00 C ATOM 186 CD1 ILE A 13 -1.661 3.368 2.808 1.00 0.00 C ATOM 0 H ILE A 13 -4.261 4.164 6.709 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.260 1.457 6.111 1.00 0.00 H new ATOM 0 HB ILE A 13 -1.860 4.090 5.415 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -2.552 1.629 3.740 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -3.559 3.062 3.803 1.00 0.00 H new ATOM 0 HG21 ILE A 13 0.069 2.671 4.798 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -0.300 2.516 6.532 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -0.787 1.232 5.400 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -2.063 3.128 1.824 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -1.663 4.449 2.947 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -0.640 2.994 2.884 1.00 0.00 H new ATOM 198 N GLN A 14 -1.971 1.515 8.265 1.00 0.00 N ATOM 199 CA GLN A 14 -1.386 1.530 9.599 1.00 0.00 C ATOM 200 C GLN A 14 -0.424 0.365 9.793 1.00 0.00 C ATOM 201 O GLN A 14 -0.819 -0.747 10.144 1.00 0.00 O ATOM 202 CB GLN A 14 -2.502 1.491 10.656 1.00 0.00 C ATOM 203 CG GLN A 14 -1.969 1.960 12.016 1.00 0.00 C ATOM 204 CD GLN A 14 -1.554 3.433 11.931 1.00 0.00 C ATOM 205 OE1 GLN A 14 -2.389 4.315 11.914 1.00 0.00 O ATOM 206 NE2 GLN A 14 -0.286 3.732 11.862 1.00 0.00 N ATOM 0 H GLN A 14 -1.974 0.603 7.808 1.00 0.00 H new ATOM 0 HA GLN A 14 -0.815 2.451 9.715 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -3.330 2.128 10.344 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -2.894 0.478 10.742 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -2.735 1.832 12.781 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -1.117 1.349 12.313 1.00 0.00 H new ATOM 0 HE21 GLN A 14 0.414 2.991 11.876 1.00 0.00 H new ATOM 0 HE22 GLN A 14 0.005 4.707 11.794 1.00 0.00 H new ATOM 215 N GLY A 15 0.846 0.652 9.535 1.00 0.00 N ATOM 216 CA GLY A 15 1.911 -0.332 9.651 1.00 0.00 C ATOM 217 C GLY A 15 2.295 -0.892 8.300 1.00 0.00 C ATOM 218 O GLY A 15 3.269 -0.456 7.696 1.00 0.00 O ATOM 0 H GLY A 15 1.165 1.575 9.239 1.00 0.00 H new ATOM 0 HA2 GLY A 15 2.783 0.127 10.117 1.00 0.00 H new ATOM 0 HA3 GLY A 15 1.589 -1.143 10.305 1.00 0.00 H new ATOM 222 N SER A 16 1.526 -1.862 7.818 1.00 0.00 N ATOM 223 CA SER A 16 1.806 -2.478 6.522 1.00 0.00 C ATOM 224 C SER A 16 0.543 -3.105 5.953 1.00 0.00 C ATOM 225 O SER A 16 0.599 -4.097 5.226 1.00 0.00 O ATOM 226 CB SER A 16 2.887 -3.547 6.697 1.00 0.00 C ATOM 227 OG SER A 16 2.276 -4.794 7.000 1.00 0.00 O ATOM 0 H SER A 16 0.709 -2.238 8.299 1.00 0.00 H new ATOM 0 HA SER A 16 2.156 -1.714 5.828 1.00 0.00 H new ATOM 0 HB2 SER A 16 3.480 -3.632 5.786 1.00 0.00 H new ATOM 0 HB3 SER A 16 3.570 -3.261 7.497 1.00 0.00 H new ATOM 0 HG SER A 16 1.732 -5.085 6.239 1.00 0.00 H new ATOM 233 N VAL A 17 -0.598 -2.514 6.303 1.00 0.00 N ATOM 234 CA VAL A 17 -1.899 -3.006 5.842 1.00 0.00 C ATOM 235 C VAL A 17 -2.707 -1.906 5.172 1.00 0.00 C ATOM 236 O VAL A 17 -2.985 -0.866 5.764 1.00 0.00 O ATOM 237 CB VAL A 17 -2.714 -3.593 7.015 1.00 0.00 C ATOM 238 CG1 VAL A 17 -3.110 -2.483 8.002 1.00 0.00 C ATOM 239 CG2 VAL A 17 -3.974 -4.275 6.465 1.00 0.00 C ATOM 0 H VAL A 17 -0.650 -1.692 6.905 1.00 0.00 H new ATOM 0 HA VAL A 17 -1.701 -3.790 5.111 1.00 0.00 H new ATOM 0 HB VAL A 17 -2.102 -4.324 7.544 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -3.684 -2.914 8.823 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.211 -2.010 8.397 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -3.716 -1.738 7.487 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -4.552 -4.691 7.290 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -4.580 -3.543 5.930 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.686 -5.076 5.784 1.00 0.00 H new ATOM 249 N LEU A 18 -3.120 -2.176 3.936 1.00 0.00 N ATOM 250 CA LEU A 18 -3.952 -1.253 3.171 1.00 0.00 C ATOM 251 C LEU A 18 -5.373 -1.751 3.336 1.00 0.00 C ATOM 252 O LEU A 18 -5.651 -2.910 3.040 1.00 0.00 O ATOM 253 CB LEU A 18 -3.510 -1.283 1.690 1.00 0.00 C ATOM 254 CG LEU A 18 -4.158 -0.171 0.824 1.00 0.00 C ATOM 255 CD1 LEU A 18 -5.689 -0.294 0.809 1.00 0.00 C ATOM 256 CD2 LEU A 18 -3.749 1.229 1.312 1.00 0.00 C ATOM 0 H LEU A 18 -2.888 -3.036 3.439 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.866 -0.222 3.513 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.426 -1.184 1.641 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.760 -2.255 1.265 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.790 -0.304 -0.193 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -6.112 0.500 0.193 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.972 -1.263 0.397 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -6.071 -0.207 1.826 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.220 1.985 0.684 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.071 1.363 2.345 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.665 1.332 1.254 1.00 0.00 H new ATOM 268 N THR A 19 -6.282 -0.897 3.797 1.00 0.00 N ATOM 269 CA THR A 19 -7.675 -1.287 3.990 1.00 0.00 C ATOM 270 C THR A 19 -8.546 -0.198 3.405 1.00 0.00 C ATOM 271 O THR A 19 -8.359 0.978 3.713 1.00 0.00 O ATOM 272 CB THR A 19 -7.998 -1.423 5.493 1.00 0.00 C ATOM 273 OG1 THR A 19 -7.196 -2.449 6.059 1.00 0.00 O ATOM 274 CG2 THR A 19 -9.476 -1.766 5.677 1.00 0.00 C ATOM 0 H THR A 19 -6.078 0.071 4.044 1.00 0.00 H new ATOM 0 HA THR A 19 -7.856 -2.246 3.505 1.00 0.00 H new ATOM 0 HB THR A 19 -7.786 -0.478 5.993 1.00 0.00 H new ATOM 0 HG1 THR A 19 -7.400 -2.534 7.014 1.00 0.00 H new ATOM 0 HG21 THR A 19 -9.698 -1.861 6.740 1.00 0.00 H new ATOM 0 HG22 THR A 19 -10.090 -0.974 5.247 1.00 0.00 H new ATOM 0 HG23 THR A 19 -9.696 -2.708 5.175 1.00 0.00 H new ATOM 282 N SER A 20 -9.479 -0.572 2.541 1.00 0.00 N ATOM 283 CA SER A 20 -10.337 0.422 1.912 1.00 0.00 C ATOM 284 C SER A 20 -11.637 -0.186 1.422 1.00 0.00 C ATOM 285 O SER A 20 -11.652 -1.260 0.820 1.00 0.00 O ATOM 286 CB SER A 20 -9.596 1.054 0.729 1.00 0.00 C ATOM 287 OG SER A 20 -10.252 2.255 0.348 1.00 0.00 O ATOM 0 H SER A 20 -9.660 -1.537 2.263 1.00 0.00 H new ATOM 0 HA SER A 20 -10.580 1.178 2.659 1.00 0.00 H new ATOM 0 HB2 SER A 20 -8.562 1.263 1.003 1.00 0.00 H new ATOM 0 HB3 SER A 20 -9.569 0.359 -0.111 1.00 0.00 H new ATOM 0 HG SER A 20 -11.119 2.312 0.801 1.00 0.00 H new ATOM 293 N THR A 21 -12.724 0.536 1.662 1.00 0.00 N ATOM 294 CA THR A 21 -14.031 0.096 1.215 1.00 0.00 C ATOM 295 C THR A 21 -14.116 0.299 -0.285 1.00 0.00 C ATOM 296 O THR A 21 -13.903 1.405 -0.778 1.00 0.00 O ATOM 297 CB THR A 21 -15.149 0.890 1.910 1.00 0.00 C ATOM 298 OG1 THR A 21 -14.924 0.879 3.314 1.00 0.00 O ATOM 299 CG2 THR A 21 -16.501 0.245 1.605 1.00 0.00 C ATOM 0 H THR A 21 -12.723 1.425 2.162 1.00 0.00 H new ATOM 0 HA THR A 21 -14.161 -0.956 1.468 1.00 0.00 H new ATOM 0 HB THR A 21 -15.150 1.917 1.545 1.00 0.00 H new ATOM 0 HG1 THR A 21 -15.121 -0.012 3.670 1.00 0.00 H new ATOM 0 HG21 THR A 21 -17.293 0.809 2.098 1.00 0.00 H new ATOM 0 HG22 THR A 21 -16.671 0.247 0.528 1.00 0.00 H new ATOM 0 HG23 THR A 21 -16.505 -0.782 1.971 1.00 0.00 H new ATOM 307 N CYS A 22 -14.413 -0.774 -1.013 1.00 0.00 N ATOM 308 CA CYS A 22 -14.502 -0.715 -2.472 1.00 0.00 C ATOM 309 C CYS A 22 -15.841 -1.240 -2.950 1.00 0.00 C ATOM 310 O CYS A 22 -16.432 -2.123 -2.331 1.00 0.00 O ATOM 311 CB CYS A 22 -13.375 -1.551 -3.079 1.00 0.00 C ATOM 312 SG CYS A 22 -11.774 -0.952 -2.486 1.00 0.00 S ATOM 0 H CYS A 22 -14.597 -1.696 -0.618 1.00 0.00 H new ATOM 0 HA CYS A 22 -14.407 0.324 -2.789 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -13.503 -2.599 -2.810 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -13.414 -1.494 -4.167 1.00 0.00 H new ATOM 317 N GLU A 23 -16.316 -0.684 -4.060 1.00 0.00 N ATOM 318 CA GLU A 23 -17.591 -1.101 -4.622 1.00 0.00 C ATOM 319 C GLU A 23 -17.453 -2.461 -5.293 1.00 0.00 C ATOM 320 O GLU A 23 -16.625 -2.648 -6.185 1.00 0.00 O ATOM 321 CB GLU A 23 -18.086 -0.063 -5.636 1.00 0.00 C ATOM 322 CG GLU A 23 -18.018 1.344 -5.016 1.00 0.00 C ATOM 323 CD GLU A 23 -18.905 2.309 -5.812 1.00 0.00 C ATOM 324 OE1 GLU A 23 -20.080 2.402 -5.494 1.00 0.00 O ATOM 325 OE2 GLU A 23 -18.394 2.939 -6.722 1.00 0.00 O ATOM 0 H GLU A 23 -15.840 0.051 -4.583 1.00 0.00 H new ATOM 0 HA GLU A 23 -18.318 -1.181 -3.814 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -17.476 -0.103 -6.538 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -19.110 -0.291 -5.933 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -18.345 1.309 -3.977 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -16.988 1.701 -5.014 1.00 0.00 H new ATOM 332 N ARG A 24 -18.286 -3.400 -4.865 1.00 0.00 N ATOM 333 CA ARG A 24 -18.266 -4.739 -5.439 1.00 0.00 C ATOM 334 C ARG A 24 -18.769 -4.691 -6.868 1.00 0.00 C ATOM 335 O ARG A 24 -19.550 -3.811 -7.233 1.00 0.00 O ATOM 336 CB ARG A 24 -19.137 -5.710 -4.632 1.00 0.00 C ATOM 337 CG ARG A 24 -18.607 -5.853 -3.183 1.00 0.00 C ATOM 338 CD ARG A 24 -19.023 -7.217 -2.565 1.00 0.00 C ATOM 339 NE ARG A 24 -17.833 -8.123 -2.560 1.00 0.00 N ATOM 340 CZ ARG A 24 -17.811 -9.182 -1.794 1.00 0.00 C ATOM 341 NH1 ARG A 24 -18.873 -9.522 -1.118 1.00 0.00 N ATOM 342 NH2 ARG A 24 -16.724 -9.902 -1.707 1.00 0.00 N ATOM 0 H ARG A 24 -18.978 -3.262 -4.129 1.00 0.00 H new ATOM 0 HA ARG A 24 -17.237 -5.097 -5.413 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -20.166 -5.352 -4.613 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -19.147 -6.686 -5.118 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -17.521 -5.766 -3.180 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -18.994 -5.039 -2.569 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -19.394 -7.075 -1.550 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -19.834 -7.662 -3.142 1.00 0.00 H new ATOM 0 HE ARG A 24 -17.034 -7.913 -3.158 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -19.722 -8.961 -1.187 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -18.854 -10.349 -0.521 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -15.893 -9.638 -2.237 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -16.706 -10.728 -1.109 1.00 0.00 H new ATOM 356 N THR A 25 -18.323 -5.644 -7.677 1.00 0.00 N ATOM 357 CA THR A 25 -18.737 -5.712 -9.072 1.00 0.00 C ATOM 358 C THR A 25 -20.026 -6.514 -9.191 1.00 0.00 C ATOM 359 O THR A 25 -20.817 -6.308 -10.111 1.00 0.00 O ATOM 360 CB THR A 25 -17.650 -6.390 -9.926 1.00 0.00 C ATOM 361 OG1 THR A 25 -16.413 -5.719 -9.729 1.00 0.00 O ATOM 362 CG2 THR A 25 -18.040 -6.320 -11.402 1.00 0.00 C ATOM 0 H THR A 25 -17.676 -6.379 -7.391 1.00 0.00 H new ATOM 0 HA THR A 25 -18.896 -4.695 -9.431 1.00 0.00 H new ATOM 0 HB THR A 25 -17.551 -7.434 -9.629 1.00 0.00 H new ATOM 0 HG1 THR A 25 -15.718 -6.149 -10.270 1.00 0.00 H new ATOM 0 HG21 THR A 25 -17.270 -6.800 -12.005 1.00 0.00 H new ATOM 0 HG22 THR A 25 -18.990 -6.833 -11.552 1.00 0.00 H new ATOM 0 HG23 THR A 25 -18.139 -5.277 -11.703 1.00 0.00 H new ATOM 370 N ASN A 26 -20.230 -7.433 -8.244 1.00 0.00 N ATOM 371 CA ASN A 26 -21.428 -8.280 -8.226 1.00 0.00 C ATOM 372 C ASN A 26 -22.351 -7.857 -7.077 1.00 0.00 C ATOM 373 O ASN A 26 -23.528 -7.566 -7.285 1.00 0.00 O ATOM 374 CB ASN A 26 -20.998 -9.756 -8.065 1.00 0.00 C ATOM 375 CG ASN A 26 -22.015 -10.691 -8.732 1.00 0.00 C ATOM 376 OD1 ASN A 26 -21.707 -11.344 -9.710 1.00 0.00 O ATOM 377 ND2 ASN A 26 -23.221 -10.780 -8.242 1.00 0.00 N ATOM 0 H ASN A 26 -19.581 -7.611 -7.478 1.00 0.00 H new ATOM 0 HA ASN A 26 -21.976 -8.167 -9.161 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -20.014 -9.904 -8.509 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -20.910 -10.001 -7.007 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -23.905 -11.397 -8.680 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -23.480 -10.232 -7.421 1.00 0.00 H new ATOM 384 N GLY A 27 -21.807 -7.855 -5.863 1.00 0.00 N ATOM 385 CA GLY A 27 -22.579 -7.493 -4.681 1.00 0.00 C ATOM 386 C GLY A 27 -22.710 -5.989 -4.486 1.00 0.00 C ATOM 387 O GLY A 27 -22.959 -5.240 -5.430 1.00 0.00 O ATOM 0 H GLY A 27 -20.835 -8.100 -5.673 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -23.574 -7.931 -4.757 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -22.107 -7.927 -3.800 1.00 0.00 H new ATOM 391 N GLY A 28 -22.554 -5.565 -3.229 1.00 0.00 N ATOM 392 CA GLY A 28 -22.656 -4.152 -2.851 1.00 0.00 C ATOM 393 C GLY A 28 -21.303 -3.573 -2.498 1.00 0.00 C ATOM 394 O GLY A 28 -20.474 -3.347 -3.373 1.00 0.00 O ATOM 0 H GLY A 28 -22.354 -6.189 -2.447 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -23.092 -3.585 -3.673 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -23.330 -4.050 -2.000 1.00 0.00 H new ATOM 398 N TYR A 29 -21.080 -3.314 -1.207 1.00 0.00 N ATOM 399 CA TYR A 29 -19.809 -2.752 -0.737 1.00 0.00 C ATOM 400 C TYR A 29 -19.020 -3.812 0.030 1.00 0.00 C ATOM 401 O TYR A 29 -19.591 -4.587 0.797 1.00 0.00 O ATOM 402 CB TYR A 29 -20.080 -1.561 0.187 1.00 0.00 C ATOM 403 CG TYR A 29 -20.866 -0.499 -0.557 1.00 0.00 C ATOM 404 CD1 TYR A 29 -20.278 0.168 -1.654 1.00 0.00 C ATOM 405 CD2 TYR A 29 -22.182 -0.169 -0.158 1.00 0.00 C ATOM 406 CE1 TYR A 29 -21.002 1.160 -2.350 1.00 0.00 C ATOM 407 CE2 TYR A 29 -22.904 0.825 -0.855 1.00 0.00 C ATOM 408 CZ TYR A 29 -22.314 1.490 -1.951 1.00 0.00 C ATOM 409 OH TYR A 29 -22.949 2.575 -2.519 1.00 0.00 O ATOM 0 H TYR A 29 -21.762 -3.484 -0.468 1.00 0.00 H new ATOM 0 HA TYR A 29 -19.230 -2.423 -1.600 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -20.637 -1.890 1.065 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -19.138 -1.145 0.544 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -19.273 -0.081 -1.961 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -22.635 -0.677 0.680 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -20.550 1.667 -3.190 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -23.909 1.076 -0.549 1.00 0.00 H new ATOM 0 HH TYR A 29 -23.847 2.666 -2.136 1.00 0.00 H new ATOM 419 N ASN A 30 -17.700 -3.839 -0.178 1.00 0.00 N ATOM 420 CA ASN A 30 -16.826 -4.808 0.498 1.00 0.00 C ATOM 421 C ASN A 30 -15.586 -4.112 1.045 1.00 0.00 C ATOM 422 O ASN A 30 -14.861 -3.445 0.306 1.00 0.00 O ATOM 423 CB ASN A 30 -16.404 -5.905 -0.488 1.00 0.00 C ATOM 424 CG ASN A 30 -15.353 -6.821 0.149 1.00 0.00 C ATOM 425 OD1 ASN A 30 -15.687 -7.795 0.793 1.00 0.00 O ATOM 426 ND2 ASN A 30 -14.087 -6.547 -0.010 1.00 0.00 N ATOM 0 H ASN A 30 -17.212 -3.202 -0.808 1.00 0.00 H new ATOM 0 HA ASN A 30 -17.376 -5.255 1.326 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -17.274 -6.491 -0.784 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -16.000 -5.453 -1.394 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -13.378 -7.151 0.407 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -13.806 -5.729 -0.551 1.00 0.00 H new ATOM 433 N THR A 31 -15.342 -4.286 2.345 1.00 0.00 N ATOM 434 CA THR A 31 -14.177 -3.686 3.002 1.00 0.00 C ATOM 435 C THR A 31 -13.161 -4.757 3.358 1.00 0.00 C ATOM 436 O THR A 31 -13.246 -5.390 4.410 1.00 0.00 O ATOM 437 CB THR A 31 -14.585 -2.944 4.289 1.00 0.00 C ATOM 438 OG1 THR A 31 -15.645 -2.044 3.997 1.00 0.00 O ATOM 439 CG2 THR A 31 -13.386 -2.161 4.828 1.00 0.00 C ATOM 0 H THR A 31 -15.935 -4.838 2.965 1.00 0.00 H new ATOM 0 HA THR A 31 -13.738 -2.974 2.303 1.00 0.00 H new ATOM 0 HB THR A 31 -14.914 -3.665 5.037 1.00 0.00 H new ATOM 0 HG1 THR A 31 -15.908 -1.572 4.814 1.00 0.00 H new ATOM 0 HG21 THR A 31 -13.674 -1.636 5.739 1.00 0.00 H new ATOM 0 HG22 THR A 31 -12.571 -2.850 5.049 1.00 0.00 H new ATOM 0 HG23 THR A 31 -13.058 -1.438 4.081 1.00 0.00 H new ATOM 447 N SER A 32 -12.193 -4.950 2.466 1.00 0.00 N ATOM 448 CA SER A 32 -11.137 -5.940 2.667 1.00 0.00 C ATOM 449 C SER A 32 -9.830 -5.240 3.007 1.00 0.00 C ATOM 450 O SER A 32 -9.779 -4.015 3.114 1.00 0.00 O ATOM 451 CB SER A 32 -10.955 -6.765 1.392 1.00 0.00 C ATOM 452 OG SER A 32 -10.825 -5.885 0.284 1.00 0.00 O ATOM 0 H SER A 32 -12.118 -4.431 1.591 1.00 0.00 H new ATOM 0 HA SER A 32 -11.418 -6.598 3.489 1.00 0.00 H new ATOM 0 HB2 SER A 32 -10.071 -7.397 1.476 1.00 0.00 H new ATOM 0 HB3 SER A 32 -11.808 -7.428 1.248 1.00 0.00 H new ATOM 0 HG SER A 32 -9.995 -5.372 0.370 1.00 0.00 H new ATOM 458 N SER A 33 -8.771 -6.026 3.168 1.00 0.00 N ATOM 459 CA SER A 33 -7.457 -5.479 3.488 1.00 0.00 C ATOM 460 C SER A 33 -6.369 -6.342 2.867 1.00 0.00 C ATOM 461 O SER A 33 -6.530 -7.553 2.725 1.00 0.00 O ATOM 462 CB SER A 33 -7.272 -5.413 5.006 1.00 0.00 C ATOM 463 OG SER A 33 -7.638 -6.660 5.580 1.00 0.00 O ATOM 0 H SER A 33 -8.796 -7.042 3.082 1.00 0.00 H new ATOM 0 HA SER A 33 -7.385 -4.471 3.080 1.00 0.00 H new ATOM 0 HB2 SER A 33 -6.235 -5.179 5.247 1.00 0.00 H new ATOM 0 HB3 SER A 33 -7.884 -4.614 5.424 1.00 0.00 H new ATOM 0 HG SER A 33 -7.519 -6.620 6.552 1.00 0.00 H new ATOM 469 N ILE A 34 -5.256 -5.710 2.495 1.00 0.00 N ATOM 470 CA ILE A 34 -4.133 -6.423 1.881 1.00 0.00 C ATOM 471 C ILE A 34 -2.822 -5.920 2.471 1.00 0.00 C ATOM 472 O ILE A 34 -2.569 -4.716 2.522 1.00 0.00 O ATOM 473 CB ILE A 34 -4.132 -6.219 0.344 1.00 0.00 C ATOM 474 CG1 ILE A 34 -2.919 -6.912 -0.305 1.00 0.00 C ATOM 475 CG2 ILE A 34 -4.090 -4.727 0.016 1.00 0.00 C ATOM 476 CD1 ILE A 34 -2.938 -8.422 -0.009 1.00 0.00 C ATOM 0 H ILE A 34 -5.107 -4.707 2.607 1.00 0.00 H new ATOM 0 HA ILE A 34 -4.240 -7.488 2.089 1.00 0.00 H new ATOM 0 HB ILE A 34 -5.045 -6.662 -0.054 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -2.932 -6.747 -1.382 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -1.996 -6.473 0.074 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -4.090 -4.592 -1.066 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.965 -4.236 0.443 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.186 -4.287 0.437 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.074 -8.895 -0.475 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.902 -8.582 1.069 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.852 -8.860 -0.410 1.00 0.00 H new ATOM 488 N ASP A 35 -1.993 -6.852 2.931 1.00 0.00 N ATOM 489 CA ASP A 35 -0.712 -6.492 3.525 1.00 0.00 C ATOM 490 C ASP A 35 0.266 -6.073 2.431 1.00 0.00 C ATOM 491 O ASP A 35 0.636 -6.877 1.575 1.00 0.00 O ATOM 492 CB ASP A 35 -0.160 -7.690 4.343 1.00 0.00 C ATOM 493 CG ASP A 35 0.482 -7.209 5.658 1.00 0.00 C ATOM 494 OD1 ASP A 35 -0.094 -6.344 6.299 1.00 0.00 O ATOM 495 OD2 ASP A 35 1.531 -7.722 6.004 1.00 0.00 O ATOM 0 H ASP A 35 -2.184 -7.854 2.904 1.00 0.00 H new ATOM 0 HA ASP A 35 -0.845 -5.648 4.202 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -0.967 -8.389 4.562 1.00 0.00 H new ATOM 0 HB3 ASP A 35 0.578 -8.231 3.750 1.00 0.00 H new ATOM 500 N LEU A 36 0.694 -4.816 2.475 1.00 0.00 N ATOM 501 CA LEU A 36 1.642 -4.318 1.491 1.00 0.00 C ATOM 502 C LEU A 36 3.003 -4.936 1.755 1.00 0.00 C ATOM 503 O LEU A 36 3.947 -4.733 0.996 1.00 0.00 O ATOM 504 CB LEU A 36 1.776 -2.794 1.594 1.00 0.00 C ATOM 505 CG LEU A 36 0.412 -2.101 1.460 1.00 0.00 C ATOM 506 CD1 LEU A 36 0.568 -0.625 1.852 1.00 0.00 C ATOM 507 CD2 LEU A 36 -0.092 -2.194 0.009 1.00 0.00 C ATOM 0 H LEU A 36 0.403 -4.132 3.173 1.00 0.00 H new ATOM 0 HA LEU A 36 1.282 -4.583 0.497 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.227 -2.531 2.551 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.447 -2.433 0.815 1.00 0.00 H new ATOM 0 HG LEU A 36 -0.309 -2.591 2.114 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.394 -0.121 1.761 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.917 -0.557 2.882 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.292 -0.148 1.191 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.060 -1.699 -0.072 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.622 -1.707 -0.656 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.195 -3.242 -0.274 1.00 0.00 H new ATOM 519 N ASN A 37 3.092 -5.696 2.841 1.00 0.00 N ATOM 520 CA ASN A 37 4.344 -6.334 3.211 1.00 0.00 C ATOM 521 C ASN A 37 4.689 -7.475 2.274 1.00 0.00 C ATOM 522 O ASN A 37 5.837 -7.903 2.227 1.00 0.00 O ATOM 523 CB ASN A 37 4.277 -6.866 4.641 1.00 0.00 C ATOM 524 CG ASN A 37 5.602 -7.552 4.993 1.00 0.00 C ATOM 525 OD1 ASN A 37 6.628 -6.829 5.343 1.00 0.00 O flip ATOM 526 ND2 ASN A 37 5.703 -8.761 4.937 1.00 0.00 N flip ATOM 0 H ASN A 37 2.315 -5.883 3.475 1.00 0.00 H new ATOM 0 HA ASN A 37 5.122 -5.574 3.138 1.00 0.00 H new ATOM 0 HB2 ASN A 37 4.082 -6.049 5.336 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.452 -7.572 4.740 1.00 0.00 H new ATOM 0 HD21 ASN A 37 4.900 -9.328 4.663 1.00 0.00 H new ATOM 0 HD22 ASN A 37 6.590 -9.210 5.164 1.00 0.00 H new ATOM 533 N SER A 38 3.711 -8.002 1.547 1.00 0.00 N ATOM 534 CA SER A 38 3.970 -9.120 0.648 1.00 0.00 C ATOM 535 C SER A 38 4.310 -8.631 -0.756 1.00 0.00 C ATOM 536 O SER A 38 4.528 -9.439 -1.659 1.00 0.00 O ATOM 537 CB SER A 38 2.720 -10.000 0.587 1.00 0.00 C ATOM 538 OG SER A 38 3.036 -11.228 -0.051 1.00 0.00 O ATOM 0 H SER A 38 2.744 -7.679 1.561 1.00 0.00 H new ATOM 0 HA SER A 38 4.821 -9.685 1.027 1.00 0.00 H new ATOM 0 HB2 SER A 38 2.344 -10.187 1.593 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.928 -9.488 0.041 1.00 0.00 H new ATOM 0 HG SER A 38 3.688 -11.067 -0.765 1.00 0.00 H new ATOM 544 N VAL A 39 4.336 -7.309 -0.952 1.00 0.00 N ATOM 545 CA VAL A 39 4.630 -6.746 -2.278 1.00 0.00 C ATOM 546 C VAL A 39 5.509 -5.493 -2.180 1.00 0.00 C ATOM 547 O VAL A 39 5.679 -4.781 -3.166 1.00 0.00 O ATOM 548 CB VAL A 39 3.313 -6.378 -3.009 1.00 0.00 C ATOM 549 CG1 VAL A 39 2.614 -7.656 -3.509 1.00 0.00 C ATOM 550 CG2 VAL A 39 2.383 -5.635 -2.039 1.00 0.00 C ATOM 0 H VAL A 39 4.160 -6.617 -0.224 1.00 0.00 H new ATOM 0 HA VAL A 39 5.171 -7.508 -2.839 1.00 0.00 H new ATOM 0 HB VAL A 39 3.543 -5.739 -3.862 1.00 0.00 H new ATOM 0 HG11 VAL A 39 1.690 -7.389 -4.021 1.00 0.00 H new ATOM 0 HG12 VAL A 39 3.272 -8.184 -4.199 1.00 0.00 H new ATOM 0 HG13 VAL A 39 2.385 -8.301 -2.661 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.456 -5.375 -2.551 1.00 0.00 H new ATOM 0 HG22 VAL A 39 2.159 -6.276 -1.186 1.00 0.00 H new ATOM 0 HG23 VAL A 39 2.872 -4.726 -1.690 1.00 0.00 H new ATOM 560 N ILE A 40 6.075 -5.228 -0.997 1.00 0.00 N ATOM 561 CA ILE A 40 6.945 -4.050 -0.807 1.00 0.00 C ATOM 562 C ILE A 40 8.186 -4.423 0.018 1.00 0.00 C ATOM 563 O ILE A 40 8.081 -5.115 1.024 1.00 0.00 O ATOM 564 CB ILE A 40 6.185 -2.897 -0.091 1.00 0.00 C ATOM 565 CG1 ILE A 40 5.036 -2.355 -0.981 1.00 0.00 C ATOM 566 CG2 ILE A 40 7.147 -1.761 0.274 1.00 0.00 C ATOM 567 CD1 ILE A 40 5.539 -1.368 -2.048 1.00 0.00 C ATOM 0 H ILE A 40 5.952 -5.802 -0.163 1.00 0.00 H new ATOM 0 HA ILE A 40 7.252 -3.709 -1.796 1.00 0.00 H new ATOM 0 HB ILE A 40 5.753 -3.299 0.825 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.534 -3.190 -1.470 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.295 -1.861 -0.353 1.00 0.00 H new ATOM 0 HG21 ILE A 40 6.596 -0.964 0.774 1.00 0.00 H new ATOM 0 HG22 ILE A 40 7.922 -2.140 0.941 1.00 0.00 H new ATOM 0 HG23 ILE A 40 7.608 -1.370 -0.633 1.00 0.00 H new ATOM 0 HD11 ILE A 40 4.697 -1.017 -2.645 1.00 0.00 H new ATOM 0 HD12 ILE A 40 6.017 -0.518 -1.561 1.00 0.00 H new ATOM 0 HD13 ILE A 40 6.259 -1.868 -2.695 1.00 0.00 H new ATOM 579 N ALA A 41 9.361 -3.943 -0.423 1.00 0.00 N ATOM 580 CA ALA A 41 10.640 -4.216 0.268 1.00 0.00 C ATOM 581 C ALA A 41 11.350 -2.904 0.633 1.00 0.00 C ATOM 582 O ALA A 41 11.171 -1.890 -0.035 1.00 0.00 O ATOM 583 CB ALA A 41 11.544 -5.047 -0.646 1.00 0.00 C ATOM 0 H ALA A 41 9.455 -3.362 -1.256 1.00 0.00 H new ATOM 0 HA ALA A 41 10.431 -4.766 1.185 1.00 0.00 H new ATOM 0 HB1 ALA A 41 12.487 -5.249 -0.139 1.00 0.00 H new ATOM 0 HB2 ALA A 41 11.051 -5.989 -0.886 1.00 0.00 H new ATOM 0 HB3 ALA A 41 11.738 -4.495 -1.566 1.00 0.00 H new ATOM 589 N ALA A 42 12.159 -2.938 1.703 1.00 0.00 N ATOM 590 CA ALA A 42 12.906 -1.750 2.155 1.00 0.00 C ATOM 591 C ALA A 42 14.396 -1.904 1.867 1.00 0.00 C ATOM 592 O ALA A 42 15.058 -2.772 2.436 1.00 0.00 O ATOM 593 CB ALA A 42 12.725 -1.549 3.654 1.00 0.00 C ATOM 0 H ALA A 42 12.314 -3.771 2.271 1.00 0.00 H new ATOM 0 HA ALA A 42 12.516 -0.889 1.612 1.00 0.00 H new ATOM 0 HB1 ALA A 42 13.282 -0.668 3.973 1.00 0.00 H new ATOM 0 HB2 ALA A 42 11.667 -1.410 3.877 1.00 0.00 H new ATOM 0 HB3 ALA A 42 13.096 -2.425 4.186 1.00 0.00 H new ATOM 599 N VAL A 43 14.922 -1.057 0.979 1.00 0.00 N ATOM 600 CA VAL A 43 16.345 -1.099 0.619 1.00 0.00 C ATOM 601 C VAL A 43 16.965 0.292 0.710 1.00 0.00 C ATOM 602 O VAL A 43 16.660 1.171 -0.095 1.00 0.00 O ATOM 603 CB VAL A 43 16.528 -1.618 -0.817 1.00 0.00 C ATOM 604 CG1 VAL A 43 18.021 -1.713 -1.142 1.00 0.00 C ATOM 605 CG2 VAL A 43 15.890 -3.004 -0.938 1.00 0.00 C ATOM 0 H VAL A 43 14.387 -0.335 0.496 1.00 0.00 H new ATOM 0 HA VAL A 43 16.840 -1.771 1.320 1.00 0.00 H new ATOM 0 HB VAL A 43 16.050 -0.932 -1.516 1.00 0.00 H new ATOM 0 HG11 VAL A 43 18.149 -2.081 -2.160 1.00 0.00 H new ATOM 0 HG12 VAL A 43 18.476 -0.727 -1.053 1.00 0.00 H new ATOM 0 HG13 VAL A 43 18.502 -2.399 -0.445 1.00 0.00 H new ATOM 0 HG21 VAL A 43 16.017 -3.376 -1.955 1.00 0.00 H new ATOM 0 HG22 VAL A 43 16.371 -3.688 -0.239 1.00 0.00 H new ATOM 0 HG23 VAL A 43 14.827 -2.937 -0.707 1.00 0.00 H new ATOM 615 N ASP A 44 17.832 0.481 1.702 1.00 0.00 N ATOM 616 CA ASP A 44 18.497 1.764 1.905 1.00 0.00 C ATOM 617 C ASP A 44 17.482 2.881 2.099 1.00 0.00 C ATOM 618 O ASP A 44 17.756 4.039 1.790 1.00 0.00 O ATOM 619 CB ASP A 44 19.413 2.093 0.717 1.00 0.00 C ATOM 620 CG ASP A 44 20.638 1.177 0.743 1.00 0.00 C ATOM 621 OD1 ASP A 44 20.553 0.126 1.356 1.00 0.00 O ATOM 622 OD2 ASP A 44 21.639 1.546 0.152 1.00 0.00 O ATOM 0 H ASP A 44 18.090 -0.239 2.377 1.00 0.00 H new ATOM 0 HA ASP A 44 19.102 1.685 2.808 1.00 0.00 H new ATOM 0 HB2 ASP A 44 18.871 1.965 -0.220 1.00 0.00 H new ATOM 0 HB3 ASP A 44 19.726 3.136 0.764 1.00 0.00 H new ATOM 627 N GLY A 45 16.315 2.533 2.623 1.00 0.00 N ATOM 628 CA GLY A 45 15.279 3.516 2.869 1.00 0.00 C ATOM 629 C GLY A 45 14.475 3.834 1.626 1.00 0.00 C ATOM 630 O GLY A 45 14.103 4.984 1.397 1.00 0.00 O ATOM 0 H GLY A 45 16.066 1.579 2.884 1.00 0.00 H new ATOM 0 HA2 GLY A 45 14.610 3.147 3.646 1.00 0.00 H new ATOM 0 HA3 GLY A 45 15.734 4.431 3.248 1.00 0.00 H new ATOM 634 N SER A 46 14.205 2.812 0.814 1.00 0.00 N ATOM 635 CA SER A 46 13.437 2.994 -0.423 1.00 0.00 C ATOM 636 C SER A 46 12.429 1.866 -0.596 1.00 0.00 C ATOM 637 O SER A 46 12.803 0.695 -0.654 1.00 0.00 O ATOM 638 CB SER A 46 14.385 3.005 -1.623 1.00 0.00 C ATOM 639 OG SER A 46 15.415 3.959 -1.401 1.00 0.00 O ATOM 0 H SER A 46 14.504 1.852 0.987 1.00 0.00 H new ATOM 0 HA SER A 46 12.904 3.943 -0.362 1.00 0.00 H new ATOM 0 HB2 SER A 46 14.816 2.015 -1.769 1.00 0.00 H new ATOM 0 HB3 SER A 46 13.836 3.251 -2.532 1.00 0.00 H new ATOM 0 HG SER A 46 16.025 3.967 -2.168 1.00 0.00 H new ATOM 645 N LEU A 47 11.146 2.219 -0.682 1.00 0.00 N ATOM 646 CA LEU A 47 10.091 1.221 -0.856 1.00 0.00 C ATOM 647 C LEU A 47 9.878 0.925 -2.337 1.00 0.00 C ATOM 648 O LEU A 47 9.551 1.821 -3.117 1.00 0.00 O ATOM 649 CB LEU A 47 8.780 1.736 -0.256 1.00 0.00 C ATOM 650 CG LEU A 47 8.965 2.063 1.235 1.00 0.00 C ATOM 651 CD1 LEU A 47 7.731 2.821 1.736 1.00 0.00 C ATOM 652 CD2 LEU A 47 9.138 0.773 2.057 1.00 0.00 C ATOM 0 H LEU A 47 10.814 3.182 -0.634 1.00 0.00 H new ATOM 0 HA LEU A 47 10.395 0.307 -0.346 1.00 0.00 H new ATOM 0 HB2 LEU A 47 8.452 2.627 -0.792 1.00 0.00 H new ATOM 0 HB3 LEU A 47 7.998 0.986 -0.376 1.00 0.00 H new ATOM 0 HG LEU A 47 9.859 2.675 1.355 1.00 0.00 H new ATOM 0 HD11 LEU A 47 7.853 3.057 2.793 1.00 0.00 H new ATOM 0 HD12 LEU A 47 7.616 3.745 1.169 1.00 0.00 H new ATOM 0 HD13 LEU A 47 6.844 2.201 1.603 1.00 0.00 H new ATOM 0 HD21 LEU A 47 9.267 1.027 3.109 1.00 0.00 H new ATOM 0 HD22 LEU A 47 8.254 0.146 1.941 1.00 0.00 H new ATOM 0 HD23 LEU A 47 10.015 0.231 1.704 1.00 0.00 H new ATOM 664 N LYS A 48 10.060 -0.341 -2.716 1.00 0.00 N ATOM 665 CA LYS A 48 9.883 -0.769 -4.110 1.00 0.00 C ATOM 666 C LYS A 48 8.917 -1.944 -4.172 1.00 0.00 C ATOM 667 O LYS A 48 8.800 -2.707 -3.218 1.00 0.00 O ATOM 668 CB LYS A 48 11.231 -1.193 -4.715 1.00 0.00 C ATOM 669 CG LYS A 48 12.272 -0.055 -4.593 1.00 0.00 C ATOM 670 CD LYS A 48 12.111 0.978 -5.744 1.00 0.00 C ATOM 671 CE LYS A 48 12.949 0.579 -6.972 1.00 0.00 C ATOM 672 NZ LYS A 48 12.361 -0.628 -7.618 1.00 0.00 N ATOM 0 H LYS A 48 10.330 -1.090 -2.079 1.00 0.00 H new ATOM 0 HA LYS A 48 9.481 0.069 -4.680 1.00 0.00 H new ATOM 0 HB2 LYS A 48 11.599 -2.084 -4.206 1.00 0.00 H new ATOM 0 HB3 LYS A 48 11.097 -1.458 -5.764 1.00 0.00 H new ATOM 0 HG2 LYS A 48 12.156 0.446 -3.632 1.00 0.00 H new ATOM 0 HG3 LYS A 48 13.278 -0.474 -4.615 1.00 0.00 H new ATOM 0 HD2 LYS A 48 11.061 1.052 -6.026 1.00 0.00 H new ATOM 0 HD3 LYS A 48 12.418 1.964 -5.396 1.00 0.00 H new ATOM 0 HE2 LYS A 48 12.982 1.404 -7.684 1.00 0.00 H new ATOM 0 HE3 LYS A 48 13.977 0.377 -6.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 12.751 -0.734 -8.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 12.593 -1.471 -7.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 11.328 -0.523 -7.675 1.00 0.00 H new ATOM 686 N TRP A 49 8.224 -2.078 -5.297 1.00 0.00 N ATOM 687 CA TRP A 49 7.259 -3.161 -5.471 1.00 0.00 C ATOM 688 C TRP A 49 7.955 -4.513 -5.521 1.00 0.00 C ATOM 689 O TRP A 49 9.144 -4.610 -5.222 1.00 0.00 O ATOM 690 CB TRP A 49 6.459 -2.936 -6.757 1.00 0.00 C ATOM 691 CG TRP A 49 5.534 -1.786 -6.550 1.00 0.00 C ATOM 692 CD1 TRP A 49 5.623 -0.588 -7.171 1.00 0.00 C ATOM 693 CD2 TRP A 49 4.396 -1.706 -5.654 1.00 0.00 C ATOM 694 NE1 TRP A 49 4.603 0.225 -6.717 1.00 0.00 N ATOM 695 CE2 TRP A 49 3.820 -0.418 -5.782 1.00 0.00 C ATOM 696 CE3 TRP A 49 3.802 -2.622 -4.747 1.00 0.00 C ATOM 697 CZ2 TRP A 49 2.701 -0.045 -5.040 1.00 0.00 C ATOM 698 CZ3 TRP A 49 2.666 -2.248 -3.993 1.00 0.00 C ATOM 699 CH2 TRP A 49 2.115 -0.957 -4.140 1.00 0.00 C ATOM 0 H TRP A 49 8.310 -1.454 -6.100 1.00 0.00 H new ATOM 0 HA TRP A 49 6.583 -3.161 -4.616 1.00 0.00 H new ATOM 0 HB2 TRP A 49 7.132 -2.734 -7.590 1.00 0.00 H new ATOM 0 HB3 TRP A 49 5.895 -3.833 -7.013 1.00 0.00 H new ATOM 0 HD1 TRP A 49 6.369 -0.312 -7.902 1.00 0.00 H new ATOM 0 HE1 TRP A 49 4.448 1.182 -7.034 1.00 0.00 H new ATOM 0 HE3 TRP A 49 4.220 -3.611 -4.632 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 2.283 0.944 -5.155 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 2.220 -2.950 -3.304 1.00 0.00 H new ATOM 0 HH2 TRP A 49 1.247 -0.669 -3.565 1.00 0.00 H new ATOM 710 N GLN A 50 7.189 -5.557 -5.884 1.00 0.00 N ATOM 711 CA GLN A 50 7.710 -6.932 -5.960 1.00 0.00 C ATOM 712 C GLN A 50 8.774 -7.165 -4.895 1.00 0.00 C ATOM 713 O GLN A 50 9.922 -7.487 -5.195 1.00 0.00 O ATOM 714 CB GLN A 50 8.287 -7.221 -7.351 1.00 0.00 C ATOM 715 CG GLN A 50 9.289 -6.132 -7.754 1.00 0.00 C ATOM 716 CD GLN A 50 10.085 -6.598 -8.974 1.00 0.00 C ATOM 717 OE1 GLN A 50 9.757 -6.262 -10.093 1.00 0.00 O ATOM 718 NE2 GLN A 50 11.126 -7.368 -8.800 1.00 0.00 N ATOM 0 H GLN A 50 6.203 -5.473 -6.130 1.00 0.00 H new ATOM 0 HA GLN A 50 6.879 -7.615 -5.780 1.00 0.00 H new ATOM 0 HB2 GLN A 50 8.778 -8.194 -7.352 1.00 0.00 H new ATOM 0 HB3 GLN A 50 7.481 -7.270 -8.083 1.00 0.00 H new ATOM 0 HG2 GLN A 50 8.763 -5.205 -7.982 1.00 0.00 H new ATOM 0 HG3 GLN A 50 9.964 -5.919 -6.925 1.00 0.00 H new ATOM 0 HE21 GLN A 50 11.400 -7.650 -7.859 1.00 0.00 H new ATOM 0 HE22 GLN A 50 11.664 -7.688 -9.605 1.00 0.00 H new ATOM 727 N GLY A 51 8.371 -7.006 -3.644 1.00 0.00 N ATOM 728 CA GLY A 51 9.283 -7.189 -2.535 1.00 0.00 C ATOM 729 C GLY A 51 8.563 -7.470 -1.238 1.00 0.00 C ATOM 730 O GLY A 51 7.334 -7.512 -1.193 1.00 0.00 O ATOM 0 H GLY A 51 7.420 -6.751 -3.376 1.00 0.00 H new ATOM 0 HA2 GLY A 51 9.960 -8.014 -2.757 1.00 0.00 H new ATOM 0 HA3 GLY A 51 9.896 -6.295 -2.421 1.00 0.00 H new ATOM 734 N SER A 52 9.339 -7.672 -0.177 1.00 0.00 N ATOM 735 CA SER A 52 8.770 -7.964 1.134 1.00 0.00 C ATOM 736 C SER A 52 9.754 -7.587 2.242 1.00 0.00 C ATOM 737 O SER A 52 10.868 -7.140 1.970 1.00 0.00 O ATOM 738 CB SER A 52 8.419 -9.458 1.212 1.00 0.00 C ATOM 739 OG SER A 52 9.420 -10.205 0.533 1.00 0.00 O ATOM 0 H SER A 52 10.358 -7.639 -0.199 1.00 0.00 H new ATOM 0 HA SER A 52 7.865 -7.373 1.273 1.00 0.00 H new ATOM 0 HB2 SER A 52 8.353 -9.775 2.253 1.00 0.00 H new ATOM 0 HB3 SER A 52 7.443 -9.639 0.761 1.00 0.00 H new ATOM 0 HG SER A 52 9.204 -11.160 0.580 1.00 0.00 H new ATOM 745 N ASN A 53 9.322 -7.769 3.488 1.00 0.00 N ATOM 746 CA ASN A 53 10.151 -7.451 4.651 1.00 0.00 C ATOM 747 C ASN A 53 10.552 -5.970 4.659 1.00 0.00 C ATOM 748 O ASN A 53 11.724 -5.641 4.842 1.00 0.00 O ATOM 749 CB ASN A 53 11.411 -8.348 4.675 1.00 0.00 C ATOM 750 CG ASN A 53 11.066 -9.731 5.238 1.00 0.00 C ATOM 751 OD1 ASN A 53 10.279 -10.457 4.665 1.00 0.00 O ATOM 752 ND2 ASN A 53 11.631 -10.126 6.346 1.00 0.00 N ATOM 0 H ASN A 53 8.399 -8.136 3.720 1.00 0.00 H new ATOM 0 HA ASN A 53 9.561 -7.645 5.547 1.00 0.00 H new ATOM 0 HB2 ASN A 53 11.814 -8.448 3.667 1.00 0.00 H new ATOM 0 HB3 ASN A 53 12.186 -7.883 5.284 1.00 0.00 H new ATOM 0 HD21 ASN A 53 11.412 -11.045 6.731 1.00 0.00 H new ATOM 0 HD22 ASN A 53 12.292 -9.516 6.827 1.00 0.00 H new ATOM 759 N PHE A 54 9.569 -5.074 4.497 1.00 0.00 N ATOM 760 CA PHE A 54 9.834 -3.626 4.524 1.00 0.00 C ATOM 761 C PHE A 54 9.364 -3.056 5.860 1.00 0.00 C ATOM 762 O PHE A 54 9.972 -2.141 6.411 1.00 0.00 O ATOM 763 CB PHE A 54 9.127 -2.916 3.336 1.00 0.00 C ATOM 764 CG PHE A 54 7.732 -2.446 3.699 1.00 0.00 C ATOM 765 CD1 PHE A 54 7.556 -1.245 4.415 1.00 0.00 C ATOM 766 CD2 PHE A 54 6.616 -3.202 3.309 1.00 0.00 C ATOM 767 CE1 PHE A 54 6.257 -0.802 4.745 1.00 0.00 C ATOM 768 CE2 PHE A 54 5.313 -2.762 3.631 1.00 0.00 C ATOM 769 CZ PHE A 54 5.133 -1.562 4.353 1.00 0.00 C ATOM 0 H PHE A 54 8.591 -5.321 4.347 1.00 0.00 H new ATOM 0 HA PHE A 54 10.905 -3.452 4.419 1.00 0.00 H new ATOM 0 HB2 PHE A 54 9.725 -2.062 3.017 1.00 0.00 H new ATOM 0 HB3 PHE A 54 9.070 -3.599 2.489 1.00 0.00 H new ATOM 0 HD1 PHE A 54 8.416 -0.663 4.712 1.00 0.00 H new ATOM 0 HD2 PHE A 54 6.754 -4.123 2.761 1.00 0.00 H new ATOM 0 HE1 PHE A 54 6.123 0.117 5.296 1.00 0.00 H new ATOM 0 HE2 PHE A 54 4.455 -3.343 3.325 1.00 0.00 H new ATOM 0 HZ PHE A 54 4.138 -1.226 4.605 1.00 0.00 H new ATOM 779 N ILE A 55 8.280 -3.623 6.371 1.00 0.00 N ATOM 780 CA ILE A 55 7.728 -3.184 7.642 1.00 0.00 C ATOM 781 C ILE A 55 8.716 -3.461 8.764 1.00 0.00 C ATOM 782 O ILE A 55 8.840 -2.682 9.708 1.00 0.00 O ATOM 783 CB ILE A 55 6.406 -3.922 7.941 1.00 0.00 C ATOM 784 CG1 ILE A 55 5.743 -3.345 9.208 1.00 0.00 C ATOM 785 CG2 ILE A 55 6.678 -5.418 8.148 1.00 0.00 C ATOM 786 CD1 ILE A 55 5.426 -1.843 9.029 1.00 0.00 C ATOM 0 H ILE A 55 7.768 -4.385 5.926 1.00 0.00 H new ATOM 0 HA ILE A 55 7.536 -2.113 7.578 1.00 0.00 H new ATOM 0 HB ILE A 55 5.735 -3.786 7.093 1.00 0.00 H new ATOM 0 HG12 ILE A 55 4.825 -3.891 9.424 1.00 0.00 H new ATOM 0 HG13 ILE A 55 6.404 -3.482 10.064 1.00 0.00 H new ATOM 0 HG21 ILE A 55 5.740 -5.933 8.359 1.00 0.00 H new ATOM 0 HG22 ILE A 55 7.126 -5.835 7.246 1.00 0.00 H new ATOM 0 HG23 ILE A 55 7.361 -5.551 8.987 1.00 0.00 H new ATOM 0 HD11 ILE A 55 4.959 -1.459 9.936 1.00 0.00 H new ATOM 0 HD12 ILE A 55 6.349 -1.297 8.837 1.00 0.00 H new ATOM 0 HD13 ILE A 55 4.746 -1.712 8.187 1.00 0.00 H new ATOM 798 N GLU A 56 9.418 -4.578 8.642 1.00 0.00 N ATOM 799 CA GLU A 56 10.403 -4.964 9.637 1.00 0.00 C ATOM 800 C GLU A 56 11.416 -3.842 9.839 1.00 0.00 C ATOM 801 O GLU A 56 11.961 -3.676 10.931 1.00 0.00 O ATOM 802 CB GLU A 56 11.127 -6.236 9.172 1.00 0.00 C ATOM 803 CG GLU A 56 10.166 -7.454 9.212 1.00 0.00 C ATOM 804 CD GLU A 56 10.256 -8.162 10.571 1.00 0.00 C ATOM 805 OE1 GLU A 56 11.307 -8.710 10.861 1.00 0.00 O ATOM 806 OE2 GLU A 56 9.274 -8.146 11.293 1.00 0.00 O ATOM 0 H GLU A 56 9.323 -5.231 7.864 1.00 0.00 H new ATOM 0 HA GLU A 56 9.897 -5.156 10.583 1.00 0.00 H new ATOM 0 HB2 GLU A 56 11.505 -6.097 8.159 1.00 0.00 H new ATOM 0 HB3 GLU A 56 11.990 -6.425 9.811 1.00 0.00 H new ATOM 0 HG2 GLU A 56 9.143 -7.124 9.034 1.00 0.00 H new ATOM 0 HG3 GLU A 56 10.419 -8.152 8.414 1.00 0.00 H new ATOM 813 N ALA A 57 11.678 -3.081 8.770 1.00 0.00 N ATOM 814 CA ALA A 57 12.647 -1.978 8.819 1.00 0.00 C ATOM 815 C ALA A 57 11.973 -0.631 8.561 1.00 0.00 C ATOM 816 O ALA A 57 12.644 0.348 8.234 1.00 0.00 O ATOM 817 CB ALA A 57 13.723 -2.211 7.769 1.00 0.00 C ATOM 0 H ALA A 57 11.233 -3.208 7.861 1.00 0.00 H new ATOM 0 HA ALA A 57 13.087 -1.953 9.816 1.00 0.00 H new ATOM 0 HB1 ALA A 57 14.445 -1.395 7.801 1.00 0.00 H new ATOM 0 HB2 ALA A 57 14.231 -3.154 7.972 1.00 0.00 H new ATOM 0 HB3 ALA A 57 13.265 -2.251 6.781 1.00 0.00 H new ATOM 823 N CYS A 58 10.646 -0.575 8.705 1.00 0.00 N ATOM 824 CA CYS A 58 9.908 0.676 8.477 1.00 0.00 C ATOM 825 C CYS A 58 8.788 0.848 9.495 1.00 0.00 C ATOM 826 O CYS A 58 8.258 -0.129 10.021 1.00 0.00 O ATOM 827 CB CYS A 58 9.309 0.684 7.072 1.00 0.00 C ATOM 828 SG CYS A 58 10.619 0.440 5.851 1.00 0.00 S ATOM 0 H CYS A 58 10.065 -1.369 8.975 1.00 0.00 H new ATOM 0 HA CYS A 58 10.612 1.501 8.586 1.00 0.00 H new ATOM 0 HB2 CYS A 58 8.562 -0.104 6.980 1.00 0.00 H new ATOM 0 HB3 CYS A 58 8.799 1.630 6.889 1.00 0.00 H new ATOM 833 N ARG A 59 8.424 2.106 9.757 1.00 0.00 N ATOM 834 CA ARG A 59 7.352 2.415 10.705 1.00 0.00 C ATOM 835 C ARG A 59 6.655 3.719 10.324 1.00 0.00 C ATOM 836 O ARG A 59 7.011 4.358 9.334 1.00 0.00 O ATOM 837 CB ARG A 59 7.904 2.513 12.141 1.00 0.00 C ATOM 838 CG ARG A 59 8.976 3.632 12.270 1.00 0.00 C ATOM 839 CD ARG A 59 10.379 3.080 11.988 1.00 0.00 C ATOM 840 NE ARG A 59 11.388 4.153 12.224 1.00 0.00 N ATOM 841 CZ ARG A 59 11.623 4.577 13.438 1.00 0.00 C ATOM 842 NH1 ARG A 59 11.090 3.965 14.460 1.00 0.00 N ATOM 843 NH2 ARG A 59 12.392 5.614 13.628 1.00 0.00 N ATOM 0 H ARG A 59 8.855 2.924 9.327 1.00 0.00 H new ATOM 0 HA ARG A 59 6.625 1.604 10.665 1.00 0.00 H new ATOM 0 HB2 ARG A 59 7.085 2.712 12.833 1.00 0.00 H new ATOM 0 HB3 ARG A 59 8.340 1.556 12.429 1.00 0.00 H new ATOM 0 HG2 ARG A 59 8.751 4.439 11.572 1.00 0.00 H new ATOM 0 HG3 ARG A 59 8.943 4.059 13.272 1.00 0.00 H new ATOM 0 HD2 ARG A 59 10.582 2.225 12.633 1.00 0.00 H new ATOM 0 HD3 ARG A 59 10.443 2.725 10.959 1.00 0.00 H new ATOM 0 HE ARG A 59 11.896 4.557 11.437 1.00 0.00 H new ATOM 0 HH11 ARG A 59 10.489 3.154 14.312 1.00 0.00 H new ATOM 0 HH12 ARG A 59 11.275 4.297 15.407 1.00 0.00 H new ATOM 0 HH21 ARG A 59 12.809 6.093 12.830 1.00 0.00 H new ATOM 0 HH22 ARG A 59 12.576 5.946 14.575 1.00 0.00 H new ATOM 857 N ASN A 60 5.665 4.108 11.120 1.00 0.00 N ATOM 858 CA ASN A 60 4.926 5.338 10.858 1.00 0.00 C ATOM 859 C ASN A 60 4.411 5.349 9.431 1.00 0.00 C ATOM 860 O ASN A 60 4.720 6.257 8.661 1.00 0.00 O ATOM 861 CB ASN A 60 5.831 6.552 11.066 1.00 0.00 C ATOM 862 CG ASN A 60 6.428 6.514 12.470 1.00 0.00 C ATOM 863 OD1 ASN A 60 5.738 6.235 13.429 1.00 0.00 O ATOM 864 ND2 ASN A 60 7.694 6.785 12.632 1.00 0.00 N ATOM 0 H ASN A 60 5.357 3.594 11.946 1.00 0.00 H new ATOM 0 HA ASN A 60 4.085 5.384 11.550 1.00 0.00 H new ATOM 0 HB2 ASN A 60 6.627 6.556 10.322 1.00 0.00 H new ATOM 0 HB3 ASN A 60 5.261 7.471 10.928 1.00 0.00 H new ATOM 0 HD21 ASN A 60 8.105 6.763 13.565 1.00 0.00 H new ATOM 0 HD22 ASN A 60 8.273 7.019 11.825 1.00 0.00 H new ATOM 871 N THR A 61 3.613 4.346 9.077 1.00 0.00 N ATOM 872 CA THR A 61 3.052 4.258 7.733 1.00 0.00 C ATOM 873 C THR A 61 1.619 4.782 7.741 1.00 0.00 C ATOM 874 O THR A 61 0.872 4.545 8.691 1.00 0.00 O ATOM 875 CB THR A 61 3.072 2.788 7.248 1.00 0.00 C ATOM 876 OG1 THR A 61 1.921 2.116 7.736 1.00 0.00 O ATOM 877 CG2 THR A 61 4.337 2.069 7.762 1.00 0.00 C ATOM 0 H THR A 61 3.341 3.585 9.700 1.00 0.00 H new ATOM 0 HA THR A 61 3.652 4.863 7.054 1.00 0.00 H new ATOM 0 HB THR A 61 3.077 2.777 6.158 1.00 0.00 H new ATOM 0 HG1 THR A 61 1.567 1.525 7.039 1.00 0.00 H new ATOM 0 HG21 THR A 61 4.336 1.037 7.412 1.00 0.00 H new ATOM 0 HG22 THR A 61 5.224 2.579 7.385 1.00 0.00 H new ATOM 0 HG23 THR A 61 4.346 2.083 8.852 1.00 0.00 H new ATOM 885 N GLN A 62 1.235 5.501 6.684 1.00 0.00 N ATOM 886 CA GLN A 62 -0.118 6.057 6.602 1.00 0.00 C ATOM 887 C GLN A 62 -0.520 6.344 5.154 1.00 0.00 C ATOM 888 O GLN A 62 0.262 6.144 4.225 1.00 0.00 O ATOM 889 CB GLN A 62 -0.208 7.359 7.412 1.00 0.00 C ATOM 890 CG GLN A 62 0.891 8.359 6.968 1.00 0.00 C ATOM 891 CD GLN A 62 0.400 9.801 7.164 1.00 0.00 C ATOM 892 OE1 GLN A 62 -0.150 10.135 8.194 1.00 0.00 O ATOM 893 NE2 GLN A 62 0.574 10.669 6.206 1.00 0.00 N ATOM 0 H GLN A 62 1.832 5.710 5.884 1.00 0.00 H new ATOM 0 HA GLN A 62 -0.801 5.314 7.014 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -1.192 7.809 7.278 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -0.100 7.140 8.474 1.00 0.00 H new ATOM 0 HG2 GLN A 62 1.800 8.194 7.547 1.00 0.00 H new ATOM 0 HG3 GLN A 62 1.145 8.192 5.921 1.00 0.00 H new ATOM 0 HE21 GLN A 62 1.036 10.388 5.341 1.00 0.00 H new ATOM 0 HE22 GLN A 62 0.248 11.629 6.322 1.00 0.00 H new ATOM 902 N LEU A 63 -1.751 6.832 4.984 1.00 0.00 N ATOM 903 CA LEU A 63 -2.285 7.173 3.661 1.00 0.00 C ATOM 904 C LEU A 63 -2.048 8.653 3.367 1.00 0.00 C ATOM 905 O LEU A 63 -2.402 9.514 4.171 1.00 0.00 O ATOM 906 CB LEU A 63 -3.795 6.889 3.639 1.00 0.00 C ATOM 907 CG LEU A 63 -4.377 7.074 2.213 1.00 0.00 C ATOM 908 CD1 LEU A 63 -4.167 5.806 1.375 1.00 0.00 C ATOM 909 CD2 LEU A 63 -5.881 7.362 2.303 1.00 0.00 C ATOM 0 H LEU A 63 -2.402 7.001 5.751 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.780 6.572 2.904 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -3.982 5.871 3.982 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -4.304 7.558 4.333 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.861 7.908 1.738 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.582 5.956 0.378 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -3.101 5.595 1.296 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.669 4.966 1.855 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -6.287 7.492 1.300 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -6.383 6.527 2.793 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -6.043 8.272 2.880 1.00 0.00 H new ATOM 921 N ALA A 64 -1.444 8.943 2.211 1.00 0.00 N ATOM 922 CA ALA A 64 -1.156 10.328 1.813 1.00 0.00 C ATOM 923 C ALA A 64 -1.719 10.630 0.425 1.00 0.00 C ATOM 924 O ALA A 64 -1.602 9.821 -0.492 1.00 0.00 O ATOM 925 CB ALA A 64 0.349 10.548 1.809 1.00 0.00 C ATOM 0 H ALA A 64 -1.145 8.241 1.534 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.631 10.999 2.529 1.00 0.00 H new ATOM 0 HB1 ALA A 64 0.566 11.575 1.514 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.746 10.366 2.808 1.00 0.00 H new ATOM 0 HB3 ALA A 64 0.815 9.861 1.102 1.00 0.00 H new ATOM 931 N GLY A 65 -2.316 11.811 0.281 1.00 0.00 N ATOM 932 CA GLY A 65 -2.874 12.235 -0.995 1.00 0.00 C ATOM 933 C GLY A 65 -4.165 11.521 -1.360 1.00 0.00 C ATOM 934 O GLY A 65 -5.182 12.161 -1.624 1.00 0.00 O ATOM 0 H GLY A 65 -2.424 12.490 1.035 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -3.059 13.309 -0.963 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.138 12.062 -1.780 1.00 0.00 H new ATOM 938 N SER A 66 -4.121 10.193 -1.371 1.00 0.00 N ATOM 939 CA SER A 66 -5.299 9.389 -1.708 1.00 0.00 C ATOM 940 C SER A 66 -4.898 7.935 -1.944 1.00 0.00 C ATOM 941 O SER A 66 -5.563 7.014 -1.470 1.00 0.00 O ATOM 942 CB SER A 66 -5.991 9.959 -2.964 1.00 0.00 C ATOM 943 OG SER A 66 -6.966 10.914 -2.565 1.00 0.00 O ATOM 0 H SER A 66 -3.287 9.648 -1.152 1.00 0.00 H new ATOM 0 HA SER A 66 -5.998 9.428 -0.873 1.00 0.00 H new ATOM 0 HB2 SER A 66 -5.255 10.424 -3.620 1.00 0.00 H new ATOM 0 HB3 SER A 66 -6.461 9.156 -3.531 1.00 0.00 H new ATOM 0 HG SER A 66 -6.522 11.755 -2.327 1.00 0.00 H new ATOM 949 N SER A 67 -3.812 7.737 -2.691 1.00 0.00 N ATOM 950 CA SER A 67 -3.327 6.389 -2.996 1.00 0.00 C ATOM 951 C SER A 67 -1.807 6.337 -2.898 1.00 0.00 C ATOM 952 O SER A 67 -1.171 5.548 -3.584 1.00 0.00 O ATOM 953 CB SER A 67 -3.772 5.980 -4.412 1.00 0.00 C ATOM 954 OG SER A 67 -2.727 6.245 -5.341 1.00 0.00 O ATOM 0 H SER A 67 -3.253 8.488 -3.095 1.00 0.00 H new ATOM 0 HA SER A 67 -3.750 5.694 -2.271 1.00 0.00 H new ATOM 0 HB2 SER A 67 -4.028 4.921 -4.431 1.00 0.00 H new ATOM 0 HB3 SER A 67 -4.670 6.530 -4.694 1.00 0.00 H new ATOM 0 HG SER A 67 -1.924 5.747 -5.081 1.00 0.00 H new ATOM 960 N GLU A 68 -1.229 7.177 -2.032 1.00 0.00 N ATOM 961 CA GLU A 68 0.229 7.207 -1.838 1.00 0.00 C ATOM 962 C GLU A 68 0.571 6.739 -0.431 1.00 0.00 C ATOM 963 O GLU A 68 -0.047 7.162 0.546 1.00 0.00 O ATOM 964 CB GLU A 68 0.782 8.621 -2.054 1.00 0.00 C ATOM 965 CG GLU A 68 0.168 9.233 -3.314 1.00 0.00 C ATOM 966 CD GLU A 68 0.726 10.644 -3.511 1.00 0.00 C ATOM 967 OE1 GLU A 68 1.764 10.767 -4.139 1.00 0.00 O ATOM 968 OE2 GLU A 68 0.106 11.576 -3.026 1.00 0.00 O ATOM 0 H GLU A 68 -1.744 7.843 -1.456 1.00 0.00 H new ATOM 0 HA GLU A 68 0.685 6.540 -2.570 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.557 9.245 -1.189 1.00 0.00 H new ATOM 0 HB3 GLU A 68 1.867 8.586 -2.148 1.00 0.00 H new ATOM 0 HG2 GLU A 68 0.396 8.614 -4.182 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -0.918 9.268 -3.224 1.00 0.00 H new ATOM 975 N LEU A 69 1.546 5.840 -0.341 1.00 0.00 N ATOM 976 CA LEU A 69 1.962 5.286 0.948 1.00 0.00 C ATOM 977 C LEU A 69 3.192 5.999 1.481 1.00 0.00 C ATOM 978 O LEU A 69 4.294 5.812 0.976 1.00 0.00 O ATOM 979 CB LEU A 69 2.248 3.782 0.774 1.00 0.00 C ATOM 980 CG LEU A 69 2.808 3.105 2.063 1.00 0.00 C ATOM 981 CD1 LEU A 69 4.344 3.293 2.203 1.00 0.00 C ATOM 982 CD2 LEU A 69 2.095 3.641 3.316 1.00 0.00 C ATOM 0 H LEU A 69 2.064 5.479 -1.142 1.00 0.00 H new ATOM 0 HA LEU A 69 1.160 5.430 1.672 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.329 3.277 0.477 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.962 3.647 -0.038 1.00 0.00 H new ATOM 0 HG LEU A 69 2.612 2.037 1.970 1.00 0.00 H new ATOM 0 HD11 LEU A 69 4.689 2.805 3.115 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.845 2.849 1.342 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.578 4.357 2.250 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.502 3.155 4.202 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.249 4.718 3.390 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.028 3.431 3.245 1.00 0.00 H new ATOM 994 N ALA A 70 2.994 6.798 2.529 1.00 0.00 N ATOM 995 CA ALA A 70 4.093 7.526 3.166 1.00 0.00 C ATOM 996 C ALA A 70 4.553 6.759 4.399 1.00 0.00 C ATOM 997 O ALA A 70 3.732 6.306 5.194 1.00 0.00 O ATOM 998 CB ALA A 70 3.627 8.916 3.565 1.00 0.00 C ATOM 0 H ALA A 70 2.082 6.958 2.956 1.00 0.00 H new ATOM 0 HA ALA A 70 4.923 7.620 2.466 1.00 0.00 H new ATOM 0 HB1 ALA A 70 4.449 9.453 4.039 1.00 0.00 H new ATOM 0 HB2 ALA A 70 3.302 9.459 2.678 1.00 0.00 H new ATOM 0 HB3 ALA A 70 2.796 8.834 4.265 1.00 0.00 H new ATOM 1004 N ALA A 71 5.863 6.613 4.556 1.00 0.00 N ATOM 1005 CA ALA A 71 6.403 5.890 5.701 1.00 0.00 C ATOM 1006 C ALA A 71 7.886 6.179 5.866 1.00 0.00 C ATOM 1007 O ALA A 71 8.528 6.709 4.960 1.00 0.00 O ATOM 1008 CB ALA A 71 6.197 4.396 5.509 1.00 0.00 C ATOM 0 H ALA A 71 6.564 6.981 3.913 1.00 0.00 H new ATOM 0 HA ALA A 71 5.879 6.221 6.597 1.00 0.00 H new ATOM 0 HB1 ALA A 71 6.602 3.860 6.367 1.00 0.00 H new ATOM 0 HB2 ALA A 71 5.132 4.184 5.419 1.00 0.00 H new ATOM 0 HB3 ALA A 71 6.709 4.071 4.603 1.00 0.00 H new ATOM 1014 N GLU A 72 8.427 5.819 7.030 1.00 0.00 N ATOM 1015 CA GLU A 72 9.848 6.031 7.322 1.00 0.00 C ATOM 1016 C GLU A 72 10.578 4.686 7.326 1.00 0.00 C ATOM 1017 O GLU A 72 10.163 3.752 8.007 1.00 0.00 O ATOM 1018 CB GLU A 72 9.995 6.737 8.694 1.00 0.00 C ATOM 1019 CG GLU A 72 9.978 8.275 8.531 1.00 0.00 C ATOM 1020 CD GLU A 72 10.496 8.944 9.808 1.00 0.00 C ATOM 1021 OE1 GLU A 72 10.047 8.569 10.878 1.00 0.00 O ATOM 1022 OE2 GLU A 72 11.337 9.821 9.691 1.00 0.00 O ATOM 0 H GLU A 72 7.904 5.379 7.787 1.00 0.00 H new ATOM 0 HA GLU A 72 10.291 6.665 6.554 1.00 0.00 H new ATOM 0 HB2 GLU A 72 9.184 6.429 9.354 1.00 0.00 H new ATOM 0 HB3 GLU A 72 10.927 6.428 9.168 1.00 0.00 H new ATOM 0 HG2 GLU A 72 10.597 8.566 7.682 1.00 0.00 H new ATOM 0 HG3 GLU A 72 8.965 8.615 8.318 1.00 0.00 H new ATOM 1029 N CYS A 73 11.667 4.599 6.550 1.00 0.00 N ATOM 1030 CA CYS A 73 12.458 3.362 6.447 1.00 0.00 C ATOM 1031 C CYS A 73 13.933 3.628 6.739 1.00 0.00 C ATOM 1032 O CYS A 73 14.488 4.645 6.326 1.00 0.00 O ATOM 1033 CB CYS A 73 12.316 2.785 5.046 1.00 0.00 C ATOM 1034 SG CYS A 73 10.638 2.170 4.816 1.00 0.00 S ATOM 0 H CYS A 73 12.021 5.370 5.984 1.00 0.00 H new ATOM 0 HA CYS A 73 12.083 2.652 7.184 1.00 0.00 H new ATOM 0 HB2 CYS A 73 12.540 3.550 4.302 1.00 0.00 H new ATOM 0 HB3 CYS A 73 13.034 1.978 4.899 1.00 0.00 H new ATOM 1039 N LYS A 74 14.547 2.703 7.471 1.00 0.00 N ATOM 1040 CA LYS A 74 15.952 2.825 7.859 1.00 0.00 C ATOM 1041 C LYS A 74 16.901 2.619 6.673 1.00 0.00 C ATOM 1042 O LYS A 74 16.804 1.638 5.937 1.00 0.00 O ATOM 1043 CB LYS A 74 16.259 1.799 8.989 1.00 0.00 C ATOM 1044 CG LYS A 74 16.824 2.501 10.232 1.00 0.00 C ATOM 1045 CD LYS A 74 16.928 1.491 11.378 1.00 0.00 C ATOM 1046 CE LYS A 74 17.440 2.184 12.648 1.00 0.00 C ATOM 1047 NZ LYS A 74 17.072 1.362 13.835 1.00 0.00 N ATOM 0 H LYS A 74 14.092 1.855 7.810 1.00 0.00 H new ATOM 0 HA LYS A 74 16.119 3.839 8.221 1.00 0.00 H new ATOM 0 HB2 LYS A 74 15.349 1.261 9.253 1.00 0.00 H new ATOM 0 HB3 LYS A 74 16.974 1.059 8.629 1.00 0.00 H new ATOM 0 HG2 LYS A 74 17.805 2.922 10.012 1.00 0.00 H new ATOM 0 HG3 LYS A 74 16.179 3.331 10.520 1.00 0.00 H new ATOM 0 HD2 LYS A 74 15.953 1.043 11.567 1.00 0.00 H new ATOM 0 HD3 LYS A 74 17.602 0.681 11.099 1.00 0.00 H new ATOM 0 HE2 LYS A 74 18.522 2.309 12.598 1.00 0.00 H new ATOM 0 HE3 LYS A 74 17.008 3.181 12.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 17.416 1.827 14.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 16.038 1.265 13.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 17.505 0.420 13.753 1.00 0.00 H new ATOM 1061 N THR A 75 17.818 3.571 6.512 1.00 0.00 N ATOM 1062 CA THR A 75 18.801 3.522 5.434 1.00 0.00 C ATOM 1063 C THR A 75 19.944 2.575 5.790 1.00 0.00 C ATOM 1064 O THR A 75 20.011 2.057 6.904 1.00 0.00 O ATOM 1065 CB THR A 75 19.391 4.919 5.158 1.00 0.00 C ATOM 1066 OG1 THR A 75 19.894 5.467 6.368 1.00 0.00 O ATOM 1067 CG2 THR A 75 18.304 5.838 4.597 1.00 0.00 C ATOM 0 H THR A 75 17.900 4.388 7.117 1.00 0.00 H new ATOM 0 HA THR A 75 18.286 3.163 4.543 1.00 0.00 H new ATOM 0 HB THR A 75 20.199 4.831 4.432 1.00 0.00 H new ATOM 0 HG1 THR A 75 19.157 5.860 6.881 1.00 0.00 H new ATOM 0 HG21 THR A 75 18.726 6.824 4.403 1.00 0.00 H new ATOM 0 HG22 THR A 75 17.918 5.420 3.667 1.00 0.00 H new ATOM 0 HG23 THR A 75 17.493 5.926 5.320 1.00 0.00 H new ATOM 1075 N ALA A 76 20.838 2.352 4.833 1.00 0.00 N ATOM 1076 CA ALA A 76 21.974 1.464 5.052 1.00 0.00 C ATOM 1077 C ALA A 76 22.827 1.959 6.216 1.00 0.00 C ATOM 1078 O ALA A 76 23.470 1.169 6.907 1.00 0.00 O ATOM 1079 CB ALA A 76 22.817 1.389 3.789 1.00 0.00 C ATOM 0 H ALA A 76 20.799 2.771 3.904 1.00 0.00 H new ATOM 0 HA ALA A 76 21.598 0.471 5.297 1.00 0.00 H new ATOM 0 HB1 ALA A 76 23.665 0.725 3.956 1.00 0.00 H new ATOM 0 HB2 ALA A 76 22.211 1.004 2.969 1.00 0.00 H new ATOM 0 HB3 ALA A 76 23.181 2.385 3.535 1.00 0.00 H new ATOM 1085 N ALA A 77 22.830 3.273 6.425 1.00 0.00 N ATOM 1086 CA ALA A 77 23.610 3.870 7.505 1.00 0.00 C ATOM 1087 C ALA A 77 22.887 3.725 8.839 1.00 0.00 C ATOM 1088 O ALA A 77 23.497 3.854 9.901 1.00 0.00 O ATOM 1089 CB ALA A 77 23.849 5.343 7.211 1.00 0.00 C ATOM 0 H ALA A 77 22.303 3.942 5.863 1.00 0.00 H new ATOM 0 HA ALA A 77 24.565 3.349 7.570 1.00 0.00 H new ATOM 0 HB1 ALA A 77 24.431 5.785 8.019 1.00 0.00 H new ATOM 0 HB2 ALA A 77 24.395 5.443 6.273 1.00 0.00 H new ATOM 0 HB3 ALA A 77 22.892 5.858 7.130 1.00 0.00 H new ATOM 1095 N GLY A 78 21.583 3.451 8.784 1.00 0.00 N ATOM 1096 CA GLY A 78 20.785 3.287 9.993 1.00 0.00 C ATOM 1097 C GLY A 78 19.990 4.537 10.330 1.00 0.00 C ATOM 1098 O GLY A 78 19.744 4.823 11.502 1.00 0.00 O ATOM 0 H GLY A 78 21.060 3.339 7.915 1.00 0.00 H new ATOM 0 HA2 GLY A 78 20.102 2.448 9.864 1.00 0.00 H new ATOM 0 HA3 GLY A 78 21.440 3.039 10.828 1.00 0.00 H new ATOM 1102 N GLN A 79 19.571 5.281 9.297 1.00 0.00 N ATOM 1103 CA GLN A 79 18.781 6.508 9.492 1.00 0.00 C ATOM 1104 C GLN A 79 17.446 6.396 8.760 1.00 0.00 C ATOM 1105 O GLN A 79 17.389 6.022 7.590 1.00 0.00 O ATOM 1106 CB GLN A 79 19.552 7.744 8.962 1.00 0.00 C ATOM 1107 CG GLN A 79 20.590 8.268 10.004 1.00 0.00 C ATOM 1108 CD GLN A 79 20.621 9.805 9.987 1.00 0.00 C ATOM 1109 OE1 GLN A 79 21.672 10.404 9.887 1.00 0.00 O ATOM 1110 NE2 GLN A 79 19.499 10.467 10.079 1.00 0.00 N ATOM 0 H GLN A 79 19.764 5.057 8.321 1.00 0.00 H new ATOM 0 HA GLN A 79 18.602 6.631 10.560 1.00 0.00 H new ATOM 0 HB2 GLN A 79 20.065 7.483 8.037 1.00 0.00 H new ATOM 0 HB3 GLN A 79 18.845 8.538 8.722 1.00 0.00 H new ATOM 0 HG2 GLN A 79 20.329 7.912 11.001 1.00 0.00 H new ATOM 0 HG3 GLN A 79 21.580 7.873 9.774 1.00 0.00 H new ATOM 0 HE21 GLN A 79 18.616 9.964 10.163 1.00 0.00 H new ATOM 0 HE22 GLN A 79 19.506 11.487 10.067 1.00 0.00 H new ATOM 1119 N PHE A 80 16.380 6.744 9.468 1.00 0.00 N ATOM 1120 CA PHE A 80 15.038 6.701 8.905 1.00 0.00 C ATOM 1121 C PHE A 80 14.798 7.913 7.999 1.00 0.00 C ATOM 1122 O PHE A 80 14.832 9.055 8.454 1.00 0.00 O ATOM 1123 CB PHE A 80 14.014 6.672 10.055 1.00 0.00 C ATOM 1124 CG PHE A 80 13.861 5.254 10.585 1.00 0.00 C ATOM 1125 CD1 PHE A 80 13.164 4.290 9.825 1.00 0.00 C ATOM 1126 CD2 PHE A 80 14.414 4.894 11.836 1.00 0.00 C ATOM 1127 CE1 PHE A 80 13.021 2.971 10.310 1.00 0.00 C ATOM 1128 CE2 PHE A 80 14.266 3.576 12.323 1.00 0.00 C ATOM 1129 CZ PHE A 80 13.574 2.613 11.557 1.00 0.00 C ATOM 0 H PHE A 80 16.420 7.060 10.437 1.00 0.00 H new ATOM 0 HA PHE A 80 14.926 5.803 8.298 1.00 0.00 H new ATOM 0 HB2 PHE A 80 14.338 7.335 10.857 1.00 0.00 H new ATOM 0 HB3 PHE A 80 13.051 7.043 9.704 1.00 0.00 H new ATOM 0 HD1 PHE A 80 12.739 4.562 8.870 1.00 0.00 H new ATOM 0 HD2 PHE A 80 14.950 5.628 12.420 1.00 0.00 H new ATOM 0 HE1 PHE A 80 12.488 2.236 9.725 1.00 0.00 H new ATOM 0 HE2 PHE A 80 14.683 3.305 13.282 1.00 0.00 H new ATOM 0 HZ PHE A 80 13.468 1.603 11.925 1.00 0.00 H new ATOM 1139 N VAL A 81 14.539 7.647 6.713 1.00 0.00 N ATOM 1140 CA VAL A 81 14.273 8.710 5.730 1.00 0.00 C ATOM 1141 C VAL A 81 12.799 8.685 5.342 1.00 0.00 C ATOM 1142 O VAL A 81 12.074 7.790 5.750 1.00 0.00 O ATOM 1143 CB VAL A 81 15.126 8.525 4.462 1.00 0.00 C ATOM 1144 CG1 VAL A 81 16.594 8.787 4.797 1.00 0.00 C ATOM 1145 CG2 VAL A 81 14.969 7.094 3.939 1.00 0.00 C ATOM 0 H VAL A 81 14.507 6.704 6.326 1.00 0.00 H new ATOM 0 HA VAL A 81 14.531 9.665 6.187 1.00 0.00 H new ATOM 0 HB VAL A 81 14.794 9.226 3.696 1.00 0.00 H new ATOM 0 HG11 VAL A 81 17.201 8.657 3.901 1.00 0.00 H new ATOM 0 HG12 VAL A 81 16.707 9.806 5.166 1.00 0.00 H new ATOM 0 HG13 VAL A 81 16.923 8.085 5.563 1.00 0.00 H new ATOM 0 HG21 VAL A 81 15.574 6.966 3.041 1.00 0.00 H new ATOM 0 HG22 VAL A 81 15.299 6.389 4.702 1.00 0.00 H new ATOM 0 HG23 VAL A 81 13.922 6.907 3.701 1.00 0.00 H new ATOM 1155 N SER A 82 12.356 9.665 4.555 1.00 0.00 N ATOM 1156 CA SER A 82 10.949 9.734 4.138 1.00 0.00 C ATOM 1157 C SER A 82 10.713 8.974 2.838 1.00 0.00 C ATOM 1158 O SER A 82 11.186 9.384 1.779 1.00 0.00 O ATOM 1159 CB SER A 82 10.551 11.194 3.932 1.00 0.00 C ATOM 1160 OG SER A 82 11.386 11.769 2.935 1.00 0.00 O ATOM 0 H SER A 82 12.942 10.418 4.194 1.00 0.00 H new ATOM 0 HA SER A 82 10.345 9.277 4.922 1.00 0.00 H new ATOM 0 HB2 SER A 82 9.506 11.260 3.630 1.00 0.00 H new ATOM 0 HB3 SER A 82 10.648 11.745 4.867 1.00 0.00 H new ATOM 0 HG SER A 82 11.682 11.071 2.314 1.00 0.00 H new ATOM 1166 N THR A 83 9.996 7.851 2.922 1.00 0.00 N ATOM 1167 CA THR A 83 9.719 7.028 1.740 1.00 0.00 C ATOM 1168 C THR A 83 8.283 7.168 1.263 1.00 0.00 C ATOM 1169 O THR A 83 7.345 7.224 2.060 1.00 0.00 O ATOM 1170 CB THR A 83 9.948 5.544 2.041 1.00 0.00 C ATOM 1171 OG1 THR A 83 9.028 5.120 3.038 1.00 0.00 O ATOM 1172 CG2 THR A 83 11.381 5.321 2.534 1.00 0.00 C ATOM 0 H THR A 83 9.598 7.491 3.790 1.00 0.00 H new ATOM 0 HA THR A 83 10.400 7.383 0.967 1.00 0.00 H new ATOM 0 HB THR A 83 9.795 4.965 1.130 1.00 0.00 H new ATOM 0 HG1 THR A 83 9.172 5.638 3.857 1.00 0.00 H new ATOM 0 HG21 THR A 83 11.533 4.262 2.745 1.00 0.00 H new ATOM 0 HG22 THR A 83 12.084 5.642 1.766 1.00 0.00 H new ATOM 0 HG23 THR A 83 11.547 5.899 3.443 1.00 0.00 H new ATOM 1180 N LYS A 84 8.129 7.211 -0.059 1.00 0.00 N ATOM 1181 CA LYS A 84 6.814 7.330 -0.686 1.00 0.00 C ATOM 1182 C LYS A 84 6.715 6.421 -1.909 1.00 0.00 C ATOM 1183 O LYS A 84 7.712 6.117 -2.563 1.00 0.00 O ATOM 1184 CB LYS A 84 6.523 8.802 -1.065 1.00 0.00 C ATOM 1185 CG LYS A 84 7.218 9.229 -2.378 1.00 0.00 C ATOM 1186 CD LYS A 84 8.747 9.088 -2.279 1.00 0.00 C ATOM 1187 CE LYS A 84 9.294 9.926 -1.109 1.00 0.00 C ATOM 1188 NZ LYS A 84 10.726 10.248 -1.364 1.00 0.00 N ATOM 0 H LYS A 84 8.904 7.165 -0.720 1.00 0.00 H new ATOM 0 HA LYS A 84 6.060 7.010 0.033 1.00 0.00 H new ATOM 0 HB2 LYS A 84 5.447 8.941 -1.167 1.00 0.00 H new ATOM 0 HB3 LYS A 84 6.853 9.453 -0.256 1.00 0.00 H new ATOM 0 HG2 LYS A 84 6.848 8.619 -3.202 1.00 0.00 H new ATOM 0 HG3 LYS A 84 6.961 10.263 -2.607 1.00 0.00 H new ATOM 0 HD2 LYS A 84 9.013 8.040 -2.138 1.00 0.00 H new ATOM 0 HD3 LYS A 84 9.209 9.411 -3.212 1.00 0.00 H new ATOM 0 HE2 LYS A 84 8.716 10.844 -1.002 1.00 0.00 H new ATOM 0 HE3 LYS A 84 9.194 9.375 -0.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 11.100 10.814 -0.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 11.271 9.366 -1.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 10.808 10.789 -2.248 1.00 0.00 H new ATOM 1202 N ILE A 85 5.497 5.999 -2.211 1.00 0.00 N ATOM 1203 CA ILE A 85 5.247 5.137 -3.356 1.00 0.00 C ATOM 1204 C ILE A 85 3.759 5.161 -3.674 1.00 0.00 C ATOM 1205 O ILE A 85 2.922 5.125 -2.771 1.00 0.00 O ATOM 1206 CB ILE A 85 5.712 3.691 -3.081 1.00 0.00 C ATOM 1207 CG1 ILE A 85 5.473 2.826 -4.330 1.00 0.00 C ATOM 1208 CG2 ILE A 85 4.943 3.121 -1.891 1.00 0.00 C ATOM 1209 CD1 ILE A 85 6.223 1.491 -4.210 1.00 0.00 C ATOM 0 H ILE A 85 4.663 6.241 -1.676 1.00 0.00 H new ATOM 0 HA ILE A 85 5.816 5.507 -4.209 1.00 0.00 H new ATOM 0 HB ILE A 85 6.777 3.690 -2.847 1.00 0.00 H new ATOM 0 HG12 ILE A 85 4.406 2.641 -4.453 1.00 0.00 H new ATOM 0 HG13 ILE A 85 5.808 3.360 -5.219 1.00 0.00 H new ATOM 0 HG21 ILE A 85 5.274 2.100 -1.699 1.00 0.00 H new ATOM 0 HG22 ILE A 85 5.130 3.734 -1.010 1.00 0.00 H new ATOM 0 HG23 ILE A 85 3.876 3.121 -2.114 1.00 0.00 H new ATOM 0 HD11 ILE A 85 6.043 0.891 -5.102 1.00 0.00 H new ATOM 0 HD12 ILE A 85 7.292 1.682 -4.110 1.00 0.00 H new ATOM 0 HD13 ILE A 85 5.867 0.951 -3.332 1.00 0.00 H new ATOM 1221 N ASN A 86 3.428 5.225 -4.960 1.00 0.00 N ATOM 1222 CA ASN A 86 2.029 5.266 -5.378 1.00 0.00 C ATOM 1223 C ASN A 86 1.435 3.862 -5.326 1.00 0.00 C ATOM 1224 O ASN A 86 1.878 2.975 -6.045 1.00 0.00 O ATOM 1225 CB ASN A 86 1.941 5.857 -6.808 1.00 0.00 C ATOM 1226 CG ASN A 86 0.740 6.807 -6.929 1.00 0.00 C ATOM 1227 OD1 ASN A 86 -0.348 6.551 -6.254 1.00 0.00 O flip ATOM 1228 ND2 ASN A 86 0.798 7.792 -7.638 1.00 0.00 N flip ATOM 0 H ASN A 86 4.102 5.249 -5.725 1.00 0.00 H new ATOM 0 HA ASN A 86 1.456 5.902 -4.703 1.00 0.00 H new ATOM 0 HB2 ASN A 86 2.860 6.393 -7.043 1.00 0.00 H new ATOM 0 HB3 ASN A 86 1.848 5.050 -7.535 1.00 0.00 H new ATOM 0 HD21 ASN A 86 1.648 7.992 -8.165 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -0.003 8.419 -7.706 1.00 0.00 H new ATOM 1235 N LEU A 87 0.415 3.687 -4.493 1.00 0.00 N ATOM 1236 CA LEU A 87 -0.258 2.402 -4.354 1.00 0.00 C ATOM 1237 C LEU A 87 -1.065 2.079 -5.604 1.00 0.00 C ATOM 1238 O LEU A 87 -1.231 0.914 -5.969 1.00 0.00 O ATOM 1239 CB LEU A 87 -1.193 2.458 -3.149 1.00 0.00 C ATOM 1240 CG LEU A 87 -0.407 2.592 -1.840 1.00 0.00 C ATOM 1241 CD1 LEU A 87 -1.424 2.729 -0.715 1.00 0.00 C ATOM 1242 CD2 LEU A 87 0.482 1.353 -1.585 1.00 0.00 C ATOM 0 H LEU A 87 0.035 4.425 -3.900 1.00 0.00 H new ATOM 0 HA LEU A 87 0.492 1.624 -4.214 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -1.875 3.302 -3.254 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -1.804 1.556 -3.118 1.00 0.00 H new ATOM 0 HG LEU A 87 0.251 3.459 -1.894 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -0.902 2.827 0.237 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.038 3.613 -0.885 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.061 1.845 -0.690 1.00 0.00 H new ATOM 0 HD21 LEU A 87 1.025 1.481 -0.649 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -0.144 0.463 -1.522 1.00 0.00 H new ATOM 0 HD23 LEU A 87 1.192 1.240 -2.404 1.00 0.00 H new ATOM 1254 N ASP A 88 -1.563 3.121 -6.253 1.00 0.00 N ATOM 1255 CA ASP A 88 -2.357 2.955 -7.464 1.00 0.00 C ATOM 1256 C ASP A 88 -1.511 2.368 -8.590 1.00 0.00 C ATOM 1257 O ASP A 88 -2.032 1.989 -9.637 1.00 0.00 O ATOM 1258 CB ASP A 88 -2.906 4.314 -7.901 1.00 0.00 C ATOM 1259 CG ASP A 88 -1.749 5.272 -8.187 1.00 0.00 C ATOM 1260 OD1 ASP A 88 -0.611 4.843 -8.092 1.00 0.00 O ATOM 1261 OD2 ASP A 88 -2.023 6.418 -8.502 1.00 0.00 O ATOM 0 H ASP A 88 -1.432 4.090 -5.963 1.00 0.00 H new ATOM 0 HA ASP A 88 -3.178 2.270 -7.250 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -3.523 4.198 -8.792 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -3.547 4.726 -7.121 1.00 0.00 H new ATOM 1266 N ASP A 89 -0.206 2.313 -8.371 1.00 0.00 N ATOM 1267 CA ASP A 89 0.710 1.794 -9.380 1.00 0.00 C ATOM 1268 C ASP A 89 0.413 0.329 -9.712 1.00 0.00 C ATOM 1269 O ASP A 89 0.430 -0.060 -10.881 1.00 0.00 O ATOM 1270 CB ASP A 89 2.155 1.941 -8.883 1.00 0.00 C ATOM 1271 CG ASP A 89 3.131 1.864 -10.063 1.00 0.00 C ATOM 1272 OD1 ASP A 89 2.805 1.205 -11.036 1.00 0.00 O ATOM 1273 OD2 ASP A 89 4.185 2.471 -9.973 1.00 0.00 O ATOM 0 H ASP A 89 0.243 2.620 -7.508 1.00 0.00 H new ATOM 0 HA ASP A 89 0.574 2.372 -10.294 1.00 0.00 H new ATOM 0 HB2 ASP A 89 2.274 2.892 -8.365 1.00 0.00 H new ATOM 0 HB3 ASP A 89 2.381 1.155 -8.163 1.00 0.00 H new ATOM 1278 N HIS A 90 0.152 -0.486 -8.684 1.00 0.00 N ATOM 1279 CA HIS A 90 -0.135 -1.917 -8.883 1.00 0.00 C ATOM 1280 C HIS A 90 -1.407 -2.335 -8.143 1.00 0.00 C ATOM 1281 O HIS A 90 -2.150 -3.195 -8.616 1.00 0.00 O ATOM 1282 CB HIS A 90 1.041 -2.756 -8.358 1.00 0.00 C ATOM 1283 CG HIS A 90 2.181 -2.753 -9.343 1.00 0.00 C ATOM 1284 ND1 HIS A 90 2.654 -3.921 -9.919 1.00 0.00 N ATOM 1285 CD2 HIS A 90 2.960 -1.742 -9.849 1.00 0.00 C ATOM 1286 CE1 HIS A 90 3.674 -3.590 -10.728 1.00 0.00 C ATOM 1287 NE2 HIS A 90 3.903 -2.275 -10.723 1.00 0.00 N ATOM 0 H HIS A 90 0.133 -0.185 -7.710 1.00 0.00 H new ATOM 0 HA HIS A 90 -0.278 -2.086 -9.950 1.00 0.00 H new ATOM 0 HB2 HIS A 90 1.380 -2.358 -7.402 1.00 0.00 H new ATOM 0 HB3 HIS A 90 0.712 -3.780 -8.178 1.00 0.00 H new ATOM 0 HD1 HIS A 90 2.293 -4.861 -9.758 1.00 0.00 H new ATOM 0 HD2 HIS A 90 2.857 -0.695 -9.606 1.00 0.00 H new ATOM 0 HE1 HIS A 90 4.240 -4.301 -11.311 1.00 0.00 H new ATOM 1295 N ILE A 91 -1.640 -1.750 -6.975 1.00 0.00 N ATOM 1296 CA ILE A 91 -2.816 -2.104 -6.189 1.00 0.00 C ATOM 1297 C ILE A 91 -4.086 -1.778 -6.963 1.00 0.00 C ATOM 1298 O ILE A 91 -4.309 -0.635 -7.359 1.00 0.00 O ATOM 1299 CB ILE A 91 -2.842 -1.354 -4.837 1.00 0.00 C ATOM 1300 CG1 ILE A 91 -1.473 -1.468 -4.126 1.00 0.00 C ATOM 1301 CG2 ILE A 91 -3.954 -1.921 -3.944 1.00 0.00 C ATOM 1302 CD1 ILE A 91 -1.241 -2.871 -3.539 1.00 0.00 C ATOM 0 H ILE A 91 -1.041 -1.039 -6.555 1.00 0.00 H new ATOM 0 HA ILE A 91 -2.766 -3.175 -5.992 1.00 0.00 H new ATOM 0 HB ILE A 91 -3.043 -0.300 -5.027 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -0.677 -1.235 -4.833 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -1.417 -0.728 -3.328 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -3.965 -1.387 -2.994 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -4.917 -1.799 -4.440 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -3.771 -2.980 -3.763 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -0.268 -2.904 -3.050 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -2.021 -3.094 -2.811 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -1.270 -3.610 -4.340 1.00 0.00 H new ATOM 1314 N ALA A 92 -4.911 -2.804 -7.194 1.00 0.00 N ATOM 1315 CA ALA A 92 -6.166 -2.647 -7.940 1.00 0.00 C ATOM 1316 C ALA A 92 -7.348 -3.107 -7.098 1.00 0.00 C ATOM 1317 O ALA A 92 -7.179 -3.617 -5.990 1.00 0.00 O ATOM 1318 CB ALA A 92 -6.109 -3.473 -9.221 1.00 0.00 C ATOM 0 H ALA A 92 -4.732 -3.756 -6.874 1.00 0.00 H new ATOM 0 HA ALA A 92 -6.294 -1.593 -8.185 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -7.042 -3.354 -9.772 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -5.277 -3.132 -9.837 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -5.967 -4.524 -8.970 1.00 0.00 H new ATOM 1324 N ASN A 93 -8.547 -2.938 -7.651 1.00 0.00 N ATOM 1325 CA ASN A 93 -9.782 -3.347 -6.981 1.00 0.00 C ATOM 1326 C ASN A 93 -10.438 -4.467 -7.777 1.00 0.00 C ATOM 1327 O ASN A 93 -10.829 -4.268 -8.927 1.00 0.00 O ATOM 1328 CB ASN A 93 -10.739 -2.164 -6.895 1.00 0.00 C ATOM 1329 CG ASN A 93 -11.984 -2.567 -6.102 1.00 0.00 C ATOM 1330 OD1 ASN A 93 -11.895 -3.296 -5.134 1.00 0.00 O ATOM 1331 ND2 ASN A 93 -13.151 -2.119 -6.478 1.00 0.00 N ATOM 0 H ASN A 93 -8.691 -2.517 -8.569 1.00 0.00 H new ATOM 0 HA ASN A 93 -9.548 -3.695 -5.975 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -10.246 -1.319 -6.413 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -11.023 -1.839 -7.896 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -13.989 -2.381 -5.959 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -13.225 -1.507 -7.291 1.00 0.00 H new ATOM 1338 N ILE A 94 -10.559 -5.645 -7.164 1.00 0.00 N ATOM 1339 CA ILE A 94 -11.172 -6.806 -7.822 1.00 0.00 C ATOM 1340 C ILE A 94 -12.461 -7.196 -7.100 1.00 0.00 C ATOM 1341 O ILE A 94 -12.429 -7.677 -5.968 1.00 0.00 O ATOM 1342 CB ILE A 94 -10.213 -8.019 -7.789 1.00 0.00 C ATOM 1343 CG1 ILE A 94 -8.831 -7.628 -8.371 1.00 0.00 C ATOM 1344 CG2 ILE A 94 -10.826 -9.202 -8.572 1.00 0.00 C ATOM 1345 CD1 ILE A 94 -8.967 -6.957 -9.746 1.00 0.00 C ATOM 0 H ILE A 94 -10.241 -5.823 -6.211 1.00 0.00 H new ATOM 0 HA ILE A 94 -11.385 -6.533 -8.856 1.00 0.00 H new ATOM 0 HB ILE A 94 -10.070 -8.330 -6.754 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -8.324 -6.951 -7.683 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -8.208 -8.518 -8.460 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -10.143 -10.051 -8.543 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -11.776 -9.485 -8.119 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -10.992 -8.906 -9.608 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -7.978 -6.697 -10.123 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -9.451 -7.644 -10.440 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -9.569 -6.053 -9.652 1.00 0.00 H new ATOM 1357 N ASP A 95 -13.596 -6.981 -7.761 1.00 0.00 N ATOM 1358 CA ASP A 95 -14.893 -7.311 -7.170 1.00 0.00 C ATOM 1359 C ASP A 95 -15.047 -6.621 -5.809 1.00 0.00 C ATOM 1360 O ASP A 95 -15.733 -7.118 -4.917 1.00 0.00 O ATOM 1361 CB ASP A 95 -15.032 -8.849 -7.029 1.00 0.00 C ATOM 1362 CG ASP A 95 -15.675 -9.444 -8.290 1.00 0.00 C ATOM 1363 OD1 ASP A 95 -14.945 -9.754 -9.216 1.00 0.00 O ATOM 1364 OD2 ASP A 95 -16.889 -9.575 -8.303 1.00 0.00 O ATOM 0 H ASP A 95 -13.646 -6.583 -8.699 1.00 0.00 H new ATOM 0 HA ASP A 95 -15.687 -6.951 -7.824 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -14.051 -9.296 -6.867 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -15.639 -9.088 -6.156 1.00 0.00 H new ATOM 1369 N GLY A 96 -14.414 -5.460 -5.670 1.00 0.00 N ATOM 1370 CA GLY A 96 -14.489 -4.692 -4.436 1.00 0.00 C ATOM 1371 C GLY A 96 -13.486 -5.154 -3.400 1.00 0.00 C ATOM 1372 O GLY A 96 -13.638 -4.873 -2.211 1.00 0.00 O ATOM 0 H GLY A 96 -13.843 -5.032 -6.399 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -14.318 -3.638 -4.657 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -15.495 -4.772 -4.023 1.00 0.00 H new ATOM 1376 N THR A 97 -12.453 -5.864 -3.852 1.00 0.00 N ATOM 1377 CA THR A 97 -11.405 -6.367 -2.956 1.00 0.00 C ATOM 1378 C THR A 97 -10.060 -5.782 -3.361 1.00 0.00 C ATOM 1379 O THR A 97 -9.821 -5.518 -4.533 1.00 0.00 O ATOM 1380 CB THR A 97 -11.307 -7.900 -3.027 1.00 0.00 C ATOM 1381 OG1 THR A 97 -10.823 -8.278 -4.305 1.00 0.00 O ATOM 1382 CG2 THR A 97 -12.688 -8.514 -2.798 1.00 0.00 C ATOM 0 H THR A 97 -12.317 -6.106 -4.834 1.00 0.00 H new ATOM 0 HA THR A 97 -11.662 -6.070 -1.939 1.00 0.00 H new ATOM 0 HB THR A 97 -10.624 -8.259 -2.257 1.00 0.00 H new ATOM 0 HG1 THR A 97 -11.567 -8.305 -4.942 1.00 0.00 H new ATOM 0 HG21 THR A 97 -12.616 -9.600 -2.849 1.00 0.00 H new ATOM 0 HG22 THR A 97 -13.058 -8.220 -1.816 1.00 0.00 H new ATOM 0 HG23 THR A 97 -13.376 -8.160 -3.566 1.00 0.00 H new ATOM 1390 N LEU A 98 -9.185 -5.575 -2.385 1.00 0.00 N ATOM 1391 CA LEU A 98 -7.864 -5.008 -2.652 1.00 0.00 C ATOM 1392 C LEU A 98 -6.862 -6.110 -2.976 1.00 0.00 C ATOM 1393 O LEU A 98 -6.679 -7.046 -2.197 1.00 0.00 O ATOM 1394 CB LEU A 98 -7.401 -4.224 -1.421 1.00 0.00 C ATOM 1395 CG LEU A 98 -8.414 -3.086 -1.094 1.00 0.00 C ATOM 1396 CD1 LEU A 98 -8.411 -2.774 0.430 1.00 0.00 C ATOM 1397 CD2 LEU A 98 -8.045 -1.818 -1.889 1.00 0.00 C ATOM 0 H LEU A 98 -9.363 -5.790 -1.404 1.00 0.00 H new ATOM 0 HA LEU A 98 -7.927 -4.342 -3.513 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -7.309 -4.895 -0.567 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -6.413 -3.800 -1.601 1.00 0.00 H new ATOM 0 HG LEU A 98 -9.414 -3.414 -1.379 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -9.124 -1.977 0.640 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -8.693 -3.669 0.985 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -7.413 -2.458 0.735 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -8.755 -1.024 -1.658 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -7.040 -1.497 -1.615 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -8.078 -2.035 -2.957 1.00 0.00 H new ATOM 1409 N LYS A 99 -6.224 -5.998 -4.143 1.00 0.00 N ATOM 1410 CA LYS A 99 -5.242 -6.992 -4.594 1.00 0.00 C ATOM 1411 C LYS A 99 -4.014 -6.297 -5.180 1.00 0.00 C ATOM 1412 O LYS A 99 -4.002 -5.081 -5.353 1.00 0.00 O ATOM 1413 CB LYS A 99 -5.850 -7.882 -5.695 1.00 0.00 C ATOM 1414 CG LYS A 99 -7.248 -8.404 -5.302 1.00 0.00 C ATOM 1415 CD LYS A 99 -7.163 -9.553 -4.265 1.00 0.00 C ATOM 1416 CE LYS A 99 -8.318 -10.545 -4.478 1.00 0.00 C ATOM 1417 NZ LYS A 99 -8.271 -11.075 -5.872 1.00 0.00 N ATOM 0 H LYS A 99 -6.369 -5.228 -4.796 1.00 0.00 H new ATOM 0 HA LYS A 99 -4.959 -7.596 -3.732 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -5.921 -7.315 -6.623 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -5.188 -8.726 -5.887 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -7.839 -7.586 -4.890 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -7.768 -8.756 -6.193 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -6.208 -10.069 -4.361 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -7.205 -9.145 -3.255 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -8.243 -11.365 -3.764 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -9.273 -10.051 -4.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -8.595 -12.063 -5.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -8.890 -10.503 -6.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -7.295 -11.028 -6.228 1.00 0.00 H new ATOM 1431 N TYR A 100 -3.000 -7.095 -5.522 1.00 0.00 N ATOM 1432 CA TYR A 100 -1.771 -6.581 -6.137 1.00 0.00 C ATOM 1433 C TYR A 100 -1.685 -7.106 -7.566 1.00 0.00 C ATOM 1434 O TYR A 100 -1.900 -8.293 -7.812 1.00 0.00 O ATOM 1435 CB TYR A 100 -0.547 -7.043 -5.334 1.00 0.00 C ATOM 1436 CG TYR A 100 0.735 -6.688 -6.069 1.00 0.00 C ATOM 1437 CD1 TYR A 100 1.233 -5.368 -6.027 1.00 0.00 C ATOM 1438 CD2 TYR A 100 1.440 -7.683 -6.784 1.00 0.00 C ATOM 1439 CE1 TYR A 100 2.431 -5.045 -6.703 1.00 0.00 C ATOM 1440 CE2 TYR A 100 2.641 -7.357 -7.452 1.00 0.00 C ATOM 1441 CZ TYR A 100 3.133 -6.036 -7.415 1.00 0.00 C ATOM 1442 OH TYR A 100 4.322 -5.722 -8.041 1.00 0.00 O ATOM 0 H TYR A 100 -3.005 -8.105 -5.383 1.00 0.00 H new ATOM 0 HA TYR A 100 -1.789 -5.491 -6.143 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -0.551 -6.574 -4.350 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -0.595 -8.120 -5.173 1.00 0.00 H new ATOM 0 HD1 TYR A 100 0.699 -4.606 -5.479 1.00 0.00 H new ATOM 0 HD2 TYR A 100 1.060 -8.693 -6.820 1.00 0.00 H new ATOM 0 HE1 TYR A 100 2.810 -4.034 -6.673 1.00 0.00 H new ATOM 0 HE2 TYR A 100 3.183 -8.120 -7.991 1.00 0.00 H new ATOM 0 HH TYR A 100 4.177 -4.982 -8.667 1.00 0.00 H new ATOM 1452 N GLU A 101 -1.373 -6.216 -8.508 1.00 0.00 N ATOM 1453 CA GLU A 101 -1.263 -6.593 -9.921 1.00 0.00 C ATOM 1454 C GLU A 101 0.197 -6.576 -10.360 1.00 0.00 C ATOM 1455 O GLU A 101 0.722 -7.641 -10.637 1.00 0.00 O ATOM 1456 CB GLU A 101 -2.059 -5.607 -10.782 1.00 0.00 C ATOM 1457 CG GLU A 101 -3.581 -5.725 -10.494 1.00 0.00 C ATOM 1458 CD GLU A 101 -4.242 -6.713 -11.466 1.00 0.00 C ATOM 1459 OE1 GLU A 101 -4.665 -6.275 -12.524 1.00 0.00 O ATOM 1460 OE2 GLU A 101 -4.319 -7.883 -11.133 1.00 0.00 O ATOM 1461 OXT GLU A 101 0.725 -5.490 -10.534 1.00 0.00 O ATOM 0 H GLU A 101 -1.192 -5.230 -8.321 1.00 0.00 H new ATOM 0 HA GLU A 101 -1.664 -7.599 -10.046 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -1.724 -4.589 -10.581 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -1.868 -5.803 -11.837 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -3.737 -6.057 -9.468 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -4.051 -4.746 -10.587 1.00 0.00 H new