USER MOD reduce.3.24.130724 H: found=0, std=0, add=744, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 744 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 65 GLN : amide:sc= 0 X(o=0,f=-0.053) USER MOD Set 1.2: A 70 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 62 SER OG : rot 140:sc= 0.0448 USER MOD Set 2.2: A 71 SER OG : rot 121:sc= -0.18 USER MOD Set 3.1: A 17 SER OG : rot 24:sc= -1.51 USER MOD Set 3.2: A 56 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 51 GLN : amide:sc= -0.172 X(o=-2.4,f=-2.3) USER MOD Set 4.2: A 53 SER OG : rot -135:sc= -2.2 USER MOD Set 5.1: A 43 ASN :FLIP amide:sc= -5.49! C(o=-5!,f=-4.3!) USER MOD Set 5.2: A 58 THR OG1 : rot -160:sc= 1.19 USER MOD Set 6.1: A 7 THR OG1 : rot -160:sc= 0 USER MOD Set 6.2: A 93 ASN : amide:sc= -0.462 K(o=-0.46,f=-7.2!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -1 GLY N :NH3+ -124:sc= 0.0726 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -6.71! C(o=-6.7!,f=-18!) USER MOD Single : A 11 THR OG1 : rot -70:sc= -1.16 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.0765 X(o=-0.076,f=-0.002) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 70:sc= -1.39 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -4.59 K(o=-4.6,f=-6.2!) USER MOD Single : A 40 HIS : no HD1:sc= -3.73 X(o=-3.7,f=-4.1!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -4.41 K(o=-4.4,f=-12!) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 TYR OH : rot -57:sc= 2.12 USER MOD Single : A 61 ASN : amide:sc= -0.233 K(o=-0.23,f=-2.7!) USER MOD Single : A 67 SER OG : rot -170:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= -2.11 USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=0.34) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 THR OG1 : rot 45:sc= 0.786 USER MOD Single : A 83 SER OG : rot -64:sc= -1.66! USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 ASN :FLIP amide:sc= -5.51! C(o=-8.2!,f=-5.5!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 143:sc= -0.491 (180deg=-1.34!) USER MOD Single : A 100 TYR OH : rot -179:sc= 1 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 1.131 -3.570 0.499 1.00 0.00 N ATOM 2 CA GLY A -1 1.961 -2.393 0.123 1.00 0.00 C ATOM 3 C GLY A -1 2.295 -2.369 -1.355 1.00 0.00 C ATOM 4 O GLY A -1 1.712 -3.114 -2.143 1.00 0.00 O ATOM 0 H1 GLY A -1 0.258 -3.246 0.962 1.00 0.00 H new ATOM 0 H2 GLY A -1 0.889 -4.111 -0.355 1.00 0.00 H new ATOM 0 H3 GLY A -1 1.665 -4.177 1.153 1.00 0.00 H new ATOM 0 HA2 GLY A -1 1.430 -1.478 0.387 1.00 0.00 H new ATOM 0 HA3 GLY A -1 2.885 -2.404 0.701 1.00 0.00 H new ATOM 10 N LEU A 1 3.237 -1.511 -1.730 1.00 0.00 N ATOM 11 CA LEU A 1 3.650 -1.390 -3.122 1.00 0.00 C ATOM 12 C LEU A 1 4.689 -2.451 -3.475 1.00 0.00 C ATOM 13 O LEU A 1 5.148 -3.196 -2.610 1.00 0.00 O ATOM 14 CB LEU A 1 4.213 0.007 -3.385 1.00 0.00 C ATOM 15 CG LEU A 1 3.206 1.147 -3.223 1.00 0.00 C ATOM 16 CD1 LEU A 1 3.920 2.461 -2.946 1.00 0.00 C ATOM 17 CD2 LEU A 1 2.334 1.263 -4.464 1.00 0.00 C ATOM 0 H LEU A 1 3.729 -0.889 -1.089 1.00 0.00 H new ATOM 0 HA LEU A 1 2.775 -1.545 -3.753 1.00 0.00 H new ATOM 0 HB2 LEU A 1 5.048 0.180 -2.706 1.00 0.00 H new ATOM 0 HB3 LEU A 1 4.614 0.037 -4.398 1.00 0.00 H new ATOM 0 HG LEU A 1 2.566 0.922 -2.370 1.00 0.00 H new ATOM 0 HD11 LEU A 1 3.185 3.258 -2.834 1.00 0.00 H new ATOM 0 HD12 LEU A 1 4.502 2.373 -2.028 1.00 0.00 H new ATOM 0 HD13 LEU A 1 4.586 2.695 -3.777 1.00 0.00 H new ATOM 0 HD21 LEU A 1 1.622 2.078 -4.334 1.00 0.00 H new ATOM 0 HD22 LEU A 1 2.962 1.464 -5.332 1.00 0.00 H new ATOM 0 HD23 LEU A 1 1.792 0.330 -4.617 1.00 0.00 H new ATOM 29 N GLY A 2 5.051 -2.516 -4.752 1.00 0.00 N ATOM 30 CA GLY A 2 6.031 -3.490 -5.197 1.00 0.00 C ATOM 31 C GLY A 2 7.384 -3.296 -4.542 1.00 0.00 C ATOM 32 O GLY A 2 7.778 -2.170 -4.240 1.00 0.00 O ATOM 0 H GLY A 2 4.683 -1.912 -5.487 1.00 0.00 H new ATOM 0 HA2 GLY A 2 5.666 -4.493 -4.978 1.00 0.00 H new ATOM 0 HA3 GLY A 2 6.142 -3.420 -6.279 1.00 0.00 H new ATOM 36 N LYS A 3 8.098 -4.397 -4.325 1.00 0.00 N ATOM 37 CA LYS A 3 9.419 -4.346 -3.705 1.00 0.00 C ATOM 38 C LYS A 3 10.305 -5.475 -4.227 1.00 0.00 C ATOM 39 O LYS A 3 10.360 -6.556 -3.641 1.00 0.00 O ATOM 40 CB LYS A 3 9.299 -4.433 -2.182 1.00 0.00 C ATOM 41 CG LYS A 3 8.458 -5.605 -1.699 1.00 0.00 C ATOM 42 CD LYS A 3 7.936 -5.373 -0.289 1.00 0.00 C ATOM 43 CE LYS A 3 6.556 -4.735 -0.302 1.00 0.00 C ATOM 44 NZ LYS A 3 5.785 -5.051 0.933 1.00 0.00 N ATOM 0 H LYS A 3 7.784 -5.336 -4.569 1.00 0.00 H new ATOM 0 HA LYS A 3 9.881 -3.394 -3.967 1.00 0.00 H new ATOM 0 HB2 LYS A 3 10.297 -4.513 -1.752 1.00 0.00 H new ATOM 0 HB3 LYS A 3 8.864 -3.507 -1.808 1.00 0.00 H new ATOM 0 HG2 LYS A 3 7.619 -5.757 -2.378 1.00 0.00 H new ATOM 0 HG3 LYS A 3 9.055 -6.517 -1.722 1.00 0.00 H new ATOM 0 HD2 LYS A 3 7.894 -6.322 0.245 1.00 0.00 H new ATOM 0 HD3 LYS A 3 8.629 -4.732 0.255 1.00 0.00 H new ATOM 0 HE2 LYS A 3 6.657 -3.654 -0.400 1.00 0.00 H new ATOM 0 HE3 LYS A 3 6.003 -5.084 -1.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 4.850 -4.597 0.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 5.666 -6.081 1.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 6.300 -4.695 1.764 1.00 0.00 H new ATOM 58 N PHE A 4 10.999 -5.211 -5.333 1.00 0.00 N ATOM 59 CA PHE A 4 11.882 -6.206 -5.945 1.00 0.00 C ATOM 60 C PHE A 4 13.321 -6.069 -5.443 1.00 0.00 C ATOM 61 O PHE A 4 13.997 -7.068 -5.202 1.00 0.00 O ATOM 62 CB PHE A 4 11.841 -6.085 -7.474 1.00 0.00 C ATOM 63 CG PHE A 4 12.699 -4.985 -8.035 1.00 0.00 C ATOM 64 CD1 PHE A 4 12.249 -3.675 -8.063 1.00 0.00 C ATOM 65 CD2 PHE A 4 13.957 -5.268 -8.540 1.00 0.00 C ATOM 66 CE1 PHE A 4 13.041 -2.669 -8.584 1.00 0.00 C ATOM 67 CE2 PHE A 4 14.752 -4.267 -9.061 1.00 0.00 C ATOM 68 CZ PHE A 4 14.293 -2.965 -9.083 1.00 0.00 C ATOM 0 H PHE A 4 10.968 -4.318 -5.824 1.00 0.00 H new ATOM 0 HA PHE A 4 11.521 -7.192 -5.654 1.00 0.00 H new ATOM 0 HB2 PHE A 4 12.157 -7.033 -7.910 1.00 0.00 H new ATOM 0 HB3 PHE A 4 10.810 -5.919 -7.785 1.00 0.00 H new ATOM 0 HD1 PHE A 4 11.270 -3.437 -7.674 1.00 0.00 H new ATOM 0 HD2 PHE A 4 14.321 -6.285 -8.526 1.00 0.00 H new ATOM 0 HE1 PHE A 4 12.680 -1.651 -8.601 1.00 0.00 H new ATOM 0 HE2 PHE A 4 15.731 -4.502 -9.451 1.00 0.00 H new ATOM 0 HZ PHE A 4 14.913 -2.180 -9.490 1.00 0.00 H new ATOM 78 N ILE A 5 13.789 -4.832 -5.298 1.00 0.00 N ATOM 79 CA ILE A 5 15.154 -4.591 -4.839 1.00 0.00 C ATOM 80 C ILE A 5 15.363 -5.103 -3.416 1.00 0.00 C ATOM 81 O ILE A 5 16.496 -5.333 -2.992 1.00 0.00 O ATOM 82 CB ILE A 5 15.516 -3.091 -4.901 1.00 0.00 C ATOM 83 CG1 ILE A 5 17.017 -2.892 -4.666 1.00 0.00 C ATOM 84 CG2 ILE A 5 14.704 -2.298 -3.885 1.00 0.00 C ATOM 85 CD1 ILE A 5 17.875 -3.293 -5.846 1.00 0.00 C ATOM 0 H ILE A 5 13.249 -3.988 -5.490 1.00 0.00 H new ATOM 0 HA ILE A 5 15.811 -5.140 -5.513 1.00 0.00 H new ATOM 0 HB ILE A 5 15.271 -2.720 -5.896 1.00 0.00 H new ATOM 0 HG12 ILE A 5 17.203 -1.844 -4.432 1.00 0.00 H new ATOM 0 HG13 ILE A 5 17.319 -3.472 -3.794 1.00 0.00 H new ATOM 0 HG21 ILE A 5 14.975 -1.244 -3.946 1.00 0.00 H new ATOM 0 HG22 ILE A 5 13.641 -2.413 -4.099 1.00 0.00 H new ATOM 0 HG23 ILE A 5 14.914 -2.669 -2.882 1.00 0.00 H new ATOM 0 HD11 ILE A 5 18.925 -3.124 -5.606 1.00 0.00 H new ATOM 0 HD12 ILE A 5 17.718 -4.349 -6.068 1.00 0.00 H new ATOM 0 HD13 ILE A 5 17.601 -2.695 -6.715 1.00 0.00 H new ATOM 97 N GLU A 6 14.271 -5.300 -2.685 1.00 0.00 N ATOM 98 CA GLU A 6 14.355 -5.804 -1.318 1.00 0.00 C ATOM 99 C GLU A 6 14.661 -7.300 -1.308 1.00 0.00 C ATOM 100 O GLU A 6 15.245 -7.818 -0.356 1.00 0.00 O ATOM 101 CB GLU A 6 13.044 -5.541 -0.570 1.00 0.00 C ATOM 102 CG GLU A 6 13.001 -4.202 0.151 1.00 0.00 C ATOM 103 CD GLU A 6 14.001 -4.112 1.288 1.00 0.00 C ATOM 104 OE1 GLU A 6 13.954 -4.974 2.191 1.00 0.00 O ATOM 105 OE2 GLU A 6 14.828 -3.176 1.277 1.00 0.00 O ATOM 0 H GLU A 6 13.322 -5.120 -3.013 1.00 0.00 H new ATOM 0 HA GLU A 6 15.166 -5.278 -0.815 1.00 0.00 H new ATOM 0 HB2 GLU A 6 12.217 -5.587 -1.279 1.00 0.00 H new ATOM 0 HB3 GLU A 6 12.886 -6.338 0.156 1.00 0.00 H new ATOM 0 HG2 GLU A 6 13.199 -3.403 -0.564 1.00 0.00 H new ATOM 0 HG3 GLU A 6 11.997 -4.038 0.543 1.00 0.00 H new ATOM 112 N THR A 7 14.268 -7.990 -2.377 1.00 0.00 N ATOM 113 CA THR A 7 14.507 -9.424 -2.495 1.00 0.00 C ATOM 114 C THR A 7 15.391 -9.749 -3.702 1.00 0.00 C ATOM 115 O THR A 7 15.482 -10.905 -4.118 1.00 0.00 O ATOM 116 CB THR A 7 13.179 -10.176 -2.601 1.00 0.00 C ATOM 117 OG1 THR A 7 12.353 -9.599 -3.597 1.00 0.00 O ATOM 118 CG2 THR A 7 12.395 -10.191 -1.306 1.00 0.00 C ATOM 0 H THR A 7 13.782 -7.577 -3.173 1.00 0.00 H new ATOM 0 HA THR A 7 15.033 -9.747 -1.597 1.00 0.00 H new ATOM 0 HB THR A 7 13.447 -11.201 -2.857 1.00 0.00 H new ATOM 0 HG1 THR A 7 11.422 -9.865 -3.445 1.00 0.00 H new ATOM 0 HG21 THR A 7 11.464 -10.740 -1.450 1.00 0.00 H new ATOM 0 HG22 THR A 7 12.986 -10.676 -0.529 1.00 0.00 H new ATOM 0 HG23 THR A 7 12.170 -9.168 -1.005 1.00 0.00 H new ATOM 126 N CYS A 8 16.032 -8.732 -4.272 1.00 0.00 N ATOM 127 CA CYS A 8 16.886 -8.935 -5.434 1.00 0.00 C ATOM 128 C CYS A 8 18.277 -8.352 -5.213 1.00 0.00 C ATOM 129 O CYS A 8 18.455 -7.410 -4.441 1.00 0.00 O ATOM 130 CB CYS A 8 16.254 -8.306 -6.678 1.00 0.00 C ATOM 131 SG CYS A 8 14.651 -9.033 -7.152 1.00 0.00 S ATOM 0 H CYS A 8 15.976 -7.766 -3.949 1.00 0.00 H new ATOM 0 HA CYS A 8 16.986 -10.010 -5.584 1.00 0.00 H new ATOM 0 HB2 CYS A 8 16.118 -7.239 -6.502 1.00 0.00 H new ATOM 0 HB3 CYS A 8 16.947 -8.406 -7.514 1.00 0.00 H new ATOM 136 N ARG A 9 19.259 -8.917 -5.908 1.00 0.00 N ATOM 137 CA ARG A 9 20.638 -8.459 -5.800 1.00 0.00 C ATOM 138 C ARG A 9 21.268 -8.291 -7.182 1.00 0.00 C ATOM 139 O ARG A 9 20.668 -8.655 -8.193 1.00 0.00 O ATOM 140 CB ARG A 9 21.463 -9.438 -4.962 1.00 0.00 C ATOM 141 CG ARG A 9 21.208 -10.898 -5.296 1.00 0.00 C ATOM 142 CD ARG A 9 21.908 -11.822 -4.312 1.00 0.00 C ATOM 143 NE ARG A 9 23.355 -11.619 -4.306 1.00 0.00 N ATOM 144 CZ ARG A 9 24.205 -12.371 -3.610 1.00 0.00 C ATOM 145 NH1 ARG A 9 23.759 -13.379 -2.871 1.00 0.00 N ATOM 146 NH2 ARG A 9 25.505 -12.114 -3.656 1.00 0.00 N ATOM 0 H ARG A 9 19.124 -9.695 -6.554 1.00 0.00 H new ATOM 0 HA ARG A 9 20.632 -7.488 -5.305 1.00 0.00 H new ATOM 0 HB2 ARG A 9 22.522 -9.222 -5.105 1.00 0.00 H new ATOM 0 HB3 ARG A 9 21.244 -9.273 -3.907 1.00 0.00 H new ATOM 0 HG2 ARG A 9 20.136 -11.094 -5.282 1.00 0.00 H new ATOM 0 HG3 ARG A 9 21.558 -11.108 -6.307 1.00 0.00 H new ATOM 0 HD2 ARG A 9 21.514 -11.651 -3.310 1.00 0.00 H new ATOM 0 HD3 ARG A 9 21.688 -12.858 -4.568 1.00 0.00 H new ATOM 0 HE ARG A 9 23.736 -10.857 -4.867 1.00 0.00 H new ATOM 0 HH11 ARG A 9 22.760 -13.581 -2.834 1.00 0.00 H new ATOM 0 HH12 ARG A 9 24.415 -13.952 -2.340 1.00 0.00 H new ATOM 0 HH21 ARG A 9 25.852 -11.341 -4.224 1.00 0.00 H new ATOM 0 HH22 ARG A 9 26.158 -12.689 -3.123 1.00 0.00 H new ATOM 160 N ASN A 10 22.478 -7.730 -7.214 1.00 0.00 N ATOM 161 CA ASN A 10 23.212 -7.496 -8.462 1.00 0.00 C ATOM 162 C ASN A 10 22.360 -6.795 -9.517 1.00 0.00 C ATOM 163 O ASN A 10 22.197 -7.295 -10.630 1.00 0.00 O ATOM 164 CB ASN A 10 23.801 -8.799 -9.028 1.00 0.00 C ATOM 165 CG ASN A 10 22.880 -9.996 -8.899 1.00 0.00 C ATOM 166 OD1 ASN A 10 21.910 -10.133 -9.643 1.00 0.00 O ATOM 167 ND2 ASN A 10 23.193 -10.879 -7.957 1.00 0.00 N ATOM 0 H ASN A 10 22.977 -7.425 -6.378 1.00 0.00 H new ATOM 0 HA ASN A 10 24.035 -6.829 -8.208 1.00 0.00 H new ATOM 0 HB2 ASN A 10 24.042 -8.650 -10.081 1.00 0.00 H new ATOM 0 HB3 ASN A 10 24.737 -9.016 -8.514 1.00 0.00 H new ATOM 0 HD21 ASN A 10 22.619 -11.712 -7.828 1.00 0.00 H new ATOM 0 HD22 ASN A 10 24.007 -10.724 -7.363 1.00 0.00 H new ATOM 174 N THR A 11 21.845 -5.618 -9.169 1.00 0.00 N ATOM 175 CA THR A 11 21.048 -4.832 -10.103 1.00 0.00 C ATOM 176 C THR A 11 21.962 -4.087 -11.071 1.00 0.00 C ATOM 177 O THR A 11 22.955 -3.485 -10.663 1.00 0.00 O ATOM 178 CB THR A 11 20.147 -3.845 -9.359 1.00 0.00 C ATOM 179 OG1 THR A 11 20.917 -2.820 -8.756 1.00 0.00 O ATOM 180 CG2 THR A 11 19.310 -4.491 -8.276 1.00 0.00 C ATOM 0 H THR A 11 21.965 -5.190 -8.251 1.00 0.00 H new ATOM 0 HA THR A 11 20.410 -5.513 -10.667 1.00 0.00 H new ATOM 0 HB THR A 11 19.476 -3.441 -10.117 1.00 0.00 H new ATOM 0 HG1 THR A 11 21.429 -3.193 -8.008 1.00 0.00 H new ATOM 0 HG21 THR A 11 18.696 -3.733 -7.790 1.00 0.00 H new ATOM 0 HG22 THR A 11 18.666 -5.251 -8.719 1.00 0.00 H new ATOM 0 HG23 THR A 11 19.965 -4.955 -7.538 1.00 0.00 H new ATOM 188 N GLN A 12 21.623 -4.137 -12.352 1.00 0.00 N ATOM 189 CA GLN A 12 22.417 -3.472 -13.381 1.00 0.00 C ATOM 190 C GLN A 12 21.593 -3.228 -14.638 1.00 0.00 C ATOM 191 O GLN A 12 20.531 -3.822 -14.818 1.00 0.00 O ATOM 192 CB GLN A 12 23.674 -4.279 -13.709 1.00 0.00 C ATOM 193 CG GLN A 12 23.394 -5.697 -14.171 1.00 0.00 C ATOM 194 CD GLN A 12 24.600 -6.337 -14.829 1.00 0.00 C ATOM 195 OE1 GLN A 12 25.136 -5.818 -15.808 1.00 0.00 O ATOM 196 NE2 GLN A 12 25.036 -7.470 -14.291 1.00 0.00 N ATOM 0 H GLN A 12 20.804 -4.631 -12.705 1.00 0.00 H new ATOM 0 HA GLN A 12 22.726 -2.504 -12.987 1.00 0.00 H new ATOM 0 HB2 GLN A 12 24.235 -3.759 -14.486 1.00 0.00 H new ATOM 0 HB3 GLN A 12 24.311 -4.315 -12.825 1.00 0.00 H new ATOM 0 HG2 GLN A 12 23.086 -6.301 -13.317 1.00 0.00 H new ATOM 0 HG3 GLN A 12 22.561 -5.690 -14.874 1.00 0.00 H new ATOM 0 HE21 GLN A 12 24.561 -7.865 -13.479 1.00 0.00 H new ATOM 0 HE22 GLN A 12 25.846 -7.945 -14.689 1.00 0.00 H new ATOM 205 N LEU A 13 22.089 -2.350 -15.504 1.00 0.00 N ATOM 206 CA LEU A 13 21.389 -2.030 -16.740 1.00 0.00 C ATOM 207 C LEU A 13 21.947 -2.830 -17.904 1.00 0.00 C ATOM 208 O LEU A 13 23.162 -2.955 -18.068 1.00 0.00 O ATOM 209 CB LEU A 13 21.513 -0.543 -17.068 1.00 0.00 C ATOM 210 CG LEU A 13 20.758 -0.109 -18.330 1.00 0.00 C ATOM 211 CD1 LEU A 13 19.597 0.799 -17.971 1.00 0.00 C ATOM 212 CD2 LEU A 13 21.693 0.580 -19.317 1.00 0.00 C ATOM 0 H LEU A 13 22.969 -1.850 -15.373 1.00 0.00 H new ATOM 0 HA LEU A 13 20.340 -2.286 -16.591 1.00 0.00 H new ATOM 0 HB2 LEU A 13 21.144 0.036 -16.221 1.00 0.00 H new ATOM 0 HB3 LEU A 13 22.568 -0.296 -17.187 1.00 0.00 H new ATOM 0 HG LEU A 13 20.361 -1.003 -18.810 1.00 0.00 H new ATOM 0 HD11 LEU A 13 19.073 1.097 -18.880 1.00 0.00 H new ATOM 0 HD12 LEU A 13 18.909 0.267 -17.313 1.00 0.00 H new ATOM 0 HD13 LEU A 13 19.973 1.686 -17.462 1.00 0.00 H new ATOM 0 HD21 LEU A 13 21.132 0.877 -20.203 1.00 0.00 H new ATOM 0 HD22 LEU A 13 22.128 1.463 -18.850 1.00 0.00 H new ATOM 0 HD23 LEU A 13 22.488 -0.107 -19.605 1.00 0.00 H new ATOM 224 N ALA A 14 21.045 -3.356 -18.720 1.00 0.00 N ATOM 225 CA ALA A 14 21.415 -4.131 -19.889 1.00 0.00 C ATOM 226 C ALA A 14 20.869 -3.454 -21.137 1.00 0.00 C ATOM 227 O ALA A 14 19.796 -2.852 -21.099 1.00 0.00 O ATOM 228 CB ALA A 14 20.881 -5.550 -19.771 1.00 0.00 C ATOM 0 H ALA A 14 20.038 -3.256 -18.588 1.00 0.00 H new ATOM 0 HA ALA A 14 22.501 -4.183 -19.960 1.00 0.00 H new ATOM 0 HB1 ALA A 14 21.166 -6.121 -20.655 1.00 0.00 H new ATOM 0 HB2 ALA A 14 21.300 -6.024 -18.883 1.00 0.00 H new ATOM 0 HB3 ALA A 14 19.794 -5.524 -19.690 1.00 0.00 H new ATOM 234 N GLY A 15 21.606 -3.526 -22.235 1.00 0.00 N ATOM 235 CA GLY A 15 21.152 -2.884 -23.454 1.00 0.00 C ATOM 236 C GLY A 15 20.947 -1.394 -23.256 1.00 0.00 C ATOM 237 O GLY A 15 21.621 -0.781 -22.428 1.00 0.00 O ATOM 0 H GLY A 15 22.500 -4.011 -22.306 1.00 0.00 H new ATOM 0 HA2 GLY A 15 21.882 -3.050 -24.247 1.00 0.00 H new ATOM 0 HA3 GLY A 15 20.218 -3.340 -23.780 1.00 0.00 H new ATOM 241 N SER A 16 20.048 -0.796 -24.031 1.00 0.00 N ATOM 242 CA SER A 16 19.811 0.642 -23.938 1.00 0.00 C ATOM 243 C SER A 16 18.798 1.005 -22.857 1.00 0.00 C ATOM 244 O SER A 16 18.945 2.032 -22.193 1.00 0.00 O ATOM 245 CB SER A 16 19.306 1.171 -25.278 1.00 0.00 C ATOM 246 OG SER A 16 19.984 0.554 -26.359 1.00 0.00 O ATOM 0 H SER A 16 19.476 -1.278 -24.724 1.00 0.00 H new ATOM 0 HA SER A 16 20.764 1.100 -23.672 1.00 0.00 H new ATOM 0 HB2 SER A 16 18.235 0.988 -25.364 1.00 0.00 H new ATOM 0 HB3 SER A 16 19.449 2.251 -25.324 1.00 0.00 H new ATOM 0 HG SER A 16 19.641 0.909 -27.206 1.00 0.00 H new ATOM 252 N SER A 17 17.764 0.188 -22.678 1.00 0.00 N ATOM 253 CA SER A 17 16.754 0.489 -21.677 1.00 0.00 C ATOM 254 C SER A 17 16.249 -0.762 -20.958 1.00 0.00 C ATOM 255 O SER A 17 15.076 -0.846 -20.602 1.00 0.00 O ATOM 256 CB SER A 17 15.595 1.238 -22.333 1.00 0.00 C ATOM 257 OG SER A 17 15.306 0.712 -23.615 1.00 0.00 O ATOM 0 H SER A 17 17.607 -0.672 -23.204 1.00 0.00 H new ATOM 0 HA SER A 17 17.217 1.118 -20.916 1.00 0.00 H new ATOM 0 HB2 SER A 17 14.710 1.169 -21.701 1.00 0.00 H new ATOM 0 HB3 SER A 17 15.844 2.296 -22.419 1.00 0.00 H new ATOM 0 HG SER A 17 15.612 -0.218 -23.664 1.00 0.00 H new ATOM 263 N GLU A 18 17.140 -1.725 -20.731 1.00 0.00 N ATOM 264 CA GLU A 18 16.774 -2.955 -20.028 1.00 0.00 C ATOM 265 C GLU A 18 17.492 -3.067 -18.689 1.00 0.00 C ATOM 266 O GLU A 18 18.629 -2.624 -18.543 1.00 0.00 O ATOM 267 CB GLU A 18 17.075 -4.196 -20.873 1.00 0.00 C ATOM 268 CG GLU A 18 16.002 -4.512 -21.896 1.00 0.00 C ATOM 269 CD GLU A 18 16.385 -4.107 -23.305 1.00 0.00 C ATOM 270 OE1 GLU A 18 17.061 -3.070 -23.463 1.00 0.00 O ATOM 271 OE2 GLU A 18 16.005 -4.828 -24.252 1.00 0.00 O ATOM 0 H GLU A 18 18.117 -1.679 -21.022 1.00 0.00 H new ATOM 0 HA GLU A 18 15.700 -2.904 -19.849 1.00 0.00 H new ATOM 0 HB2 GLU A 18 18.025 -4.052 -21.388 1.00 0.00 H new ATOM 0 HB3 GLU A 18 17.198 -5.054 -20.212 1.00 0.00 H new ATOM 0 HG2 GLU A 18 15.793 -5.582 -21.876 1.00 0.00 H new ATOM 0 HG3 GLU A 18 15.080 -4.002 -21.616 1.00 0.00 H new ATOM 278 N LEU A 19 16.817 -3.672 -17.719 1.00 0.00 N ATOM 279 CA LEU A 19 17.381 -3.869 -16.388 1.00 0.00 C ATOM 280 C LEU A 19 17.428 -5.360 -16.079 1.00 0.00 C ATOM 281 O LEU A 19 16.406 -6.044 -16.139 1.00 0.00 O ATOM 282 CB LEU A 19 16.539 -3.120 -15.345 1.00 0.00 C ATOM 283 CG LEU A 19 16.735 -3.554 -13.888 1.00 0.00 C ATOM 284 CD1 LEU A 19 18.186 -3.383 -13.464 1.00 0.00 C ATOM 285 CD2 LEU A 19 15.817 -2.757 -12.972 1.00 0.00 C ATOM 0 H LEU A 19 15.871 -4.037 -17.830 1.00 0.00 H new ATOM 0 HA LEU A 19 18.395 -3.470 -16.354 1.00 0.00 H new ATOM 0 HB2 LEU A 19 16.765 -2.056 -15.420 1.00 0.00 H new ATOM 0 HB3 LEU A 19 15.487 -3.241 -15.601 1.00 0.00 H new ATOM 0 HG LEU A 19 16.479 -4.610 -13.807 1.00 0.00 H new ATOM 0 HD11 LEU A 19 18.301 -3.697 -12.427 1.00 0.00 H new ATOM 0 HD12 LEU A 19 18.826 -3.994 -14.101 1.00 0.00 H new ATOM 0 HD13 LEU A 19 18.472 -2.336 -13.560 1.00 0.00 H new ATOM 0 HD21 LEU A 19 15.967 -3.075 -11.940 1.00 0.00 H new ATOM 0 HD22 LEU A 19 16.047 -1.695 -13.061 1.00 0.00 H new ATOM 0 HD23 LEU A 19 14.779 -2.929 -13.258 1.00 0.00 H new ATOM 297 N ALA A 20 18.606 -5.872 -15.743 1.00 0.00 N ATOM 298 CA ALA A 20 18.748 -7.282 -15.432 1.00 0.00 C ATOM 299 C ALA A 20 19.303 -7.453 -14.022 1.00 0.00 C ATOM 300 O ALA A 20 20.114 -6.650 -13.559 1.00 0.00 O ATOM 301 CB ALA A 20 19.631 -7.959 -16.469 1.00 0.00 C ATOM 0 H ALA A 20 19.470 -5.333 -15.680 1.00 0.00 H new ATOM 0 HA ALA A 20 17.770 -7.761 -15.465 1.00 0.00 H new ATOM 0 HB1 ALA A 20 19.731 -9.017 -16.227 1.00 0.00 H new ATOM 0 HB2 ALA A 20 19.180 -7.854 -17.456 1.00 0.00 H new ATOM 0 HB3 ALA A 20 20.616 -7.492 -16.469 1.00 0.00 H new ATOM 307 N ALA A 21 18.845 -8.490 -13.338 1.00 0.00 N ATOM 308 CA ALA A 21 19.273 -8.758 -11.970 1.00 0.00 C ATOM 309 C ALA A 21 18.973 -10.198 -11.574 1.00 0.00 C ATOM 310 O ALA A 21 18.278 -10.914 -12.294 1.00 0.00 O ATOM 311 CB ALA A 21 18.607 -7.787 -11.009 1.00 0.00 C ATOM 0 H ALA A 21 18.174 -9.163 -13.708 1.00 0.00 H new ATOM 0 HA ALA A 21 20.352 -8.615 -11.917 1.00 0.00 H new ATOM 0 HB1 ALA A 21 18.936 -7.999 -9.992 1.00 0.00 H new ATOM 0 HB2 ALA A 21 18.882 -6.766 -11.274 1.00 0.00 H new ATOM 0 HB3 ALA A 21 17.524 -7.899 -11.071 1.00 0.00 H new ATOM 317 N GLU A 22 19.450 -10.605 -10.402 1.00 0.00 N ATOM 318 CA GLU A 22 19.170 -11.939 -9.893 1.00 0.00 C ATOM 319 C GLU A 22 18.222 -11.807 -8.705 1.00 0.00 C ATOM 320 O GLU A 22 18.425 -10.952 -7.843 1.00 0.00 O ATOM 321 CB GLU A 22 20.461 -12.648 -9.474 1.00 0.00 C ATOM 322 CG GLU A 22 21.418 -12.909 -10.627 1.00 0.00 C ATOM 323 CD GLU A 22 22.720 -13.542 -10.173 1.00 0.00 C ATOM 324 OE1 GLU A 22 23.047 -13.433 -8.973 1.00 0.00 O ATOM 325 OE2 GLU A 22 23.413 -14.147 -11.018 1.00 0.00 O ATOM 0 H GLU A 22 20.030 -10.031 -9.790 1.00 0.00 H new ATOM 0 HA GLU A 22 18.709 -12.541 -10.676 1.00 0.00 H new ATOM 0 HB2 GLU A 22 20.969 -12.044 -8.722 1.00 0.00 H new ATOM 0 HB3 GLU A 22 20.207 -13.597 -9.002 1.00 0.00 H new ATOM 0 HG2 GLU A 22 20.935 -13.562 -11.354 1.00 0.00 H new ATOM 0 HG3 GLU A 22 21.633 -11.969 -11.136 1.00 0.00 H new ATOM 332 N CYS A 23 17.175 -12.626 -8.654 1.00 0.00 N ATOM 333 CA CYS A 23 16.217 -12.535 -7.558 1.00 0.00 C ATOM 334 C CYS A 23 15.933 -13.894 -6.929 1.00 0.00 C ATOM 335 O CYS A 23 15.727 -14.888 -7.625 1.00 0.00 O ATOM 336 CB CYS A 23 14.912 -11.911 -8.052 1.00 0.00 C ATOM 337 SG CYS A 23 15.106 -10.230 -8.725 1.00 0.00 S ATOM 0 H CYS A 23 16.971 -13.347 -9.345 1.00 0.00 H new ATOM 0 HA CYS A 23 16.662 -11.902 -6.790 1.00 0.00 H new ATOM 0 HB2 CYS A 23 14.482 -12.552 -8.822 1.00 0.00 H new ATOM 0 HB3 CYS A 23 14.200 -11.882 -7.227 1.00 0.00 H new ATOM 342 N LYS A 24 15.944 -13.926 -5.602 1.00 0.00 N ATOM 343 CA LYS A 24 15.698 -15.159 -4.867 1.00 0.00 C ATOM 344 C LYS A 24 14.264 -15.648 -5.058 1.00 0.00 C ATOM 345 O LYS A 24 13.315 -14.866 -5.024 1.00 0.00 O ATOM 346 CB LYS A 24 15.995 -14.966 -3.375 1.00 0.00 C ATOM 347 CG LYS A 24 15.066 -13.976 -2.687 1.00 0.00 C ATOM 348 CD LYS A 24 14.685 -14.439 -1.288 1.00 0.00 C ATOM 349 CE LYS A 24 15.542 -13.773 -0.222 1.00 0.00 C ATOM 350 NZ LYS A 24 15.055 -14.077 1.152 1.00 0.00 N ATOM 0 H LYS A 24 16.121 -13.112 -5.013 1.00 0.00 H new ATOM 0 HA LYS A 24 16.370 -15.919 -5.267 1.00 0.00 H new ATOM 0 HB2 LYS A 24 15.921 -15.930 -2.872 1.00 0.00 H new ATOM 0 HB3 LYS A 24 17.024 -14.625 -3.260 1.00 0.00 H new ATOM 0 HG2 LYS A 24 15.552 -13.002 -2.628 1.00 0.00 H new ATOM 0 HG3 LYS A 24 14.164 -13.847 -3.286 1.00 0.00 H new ATOM 0 HD2 LYS A 24 13.635 -14.214 -1.104 1.00 0.00 H new ATOM 0 HD3 LYS A 24 14.796 -15.521 -1.220 1.00 0.00 H new ATOM 0 HE2 LYS A 24 16.574 -14.109 -0.324 1.00 0.00 H new ATOM 0 HE3 LYS A 24 15.541 -12.694 -0.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 15.666 -13.605 1.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 14.079 -13.734 1.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 15.080 -15.105 1.310 1.00 0.00 H new ATOM 364 N THR A 25 14.123 -16.955 -5.256 1.00 0.00 N ATOM 365 CA THR A 25 12.814 -17.569 -5.450 1.00 0.00 C ATOM 366 C THR A 25 12.179 -17.906 -4.105 1.00 0.00 C ATOM 367 O THR A 25 12.762 -17.640 -3.054 1.00 0.00 O ATOM 368 CB THR A 25 12.941 -18.831 -6.307 1.00 0.00 C ATOM 369 OG1 THR A 25 13.810 -19.769 -5.696 1.00 0.00 O ATOM 370 CG2 THR A 25 13.469 -18.553 -7.698 1.00 0.00 C ATOM 0 H THR A 25 14.903 -17.612 -5.286 1.00 0.00 H new ATOM 0 HA THR A 25 12.171 -16.857 -5.969 1.00 0.00 H new ATOM 0 HB THR A 25 11.930 -19.229 -6.390 1.00 0.00 H new ATOM 0 HG1 THR A 25 13.876 -20.569 -6.259 1.00 0.00 H new ATOM 0 HG21 THR A 25 13.536 -19.487 -8.255 1.00 0.00 H new ATOM 0 HG22 THR A 25 12.794 -17.870 -8.214 1.00 0.00 H new ATOM 0 HG23 THR A 25 14.458 -18.101 -7.628 1.00 0.00 H new ATOM 378 N ARG A 26 10.981 -18.483 -4.135 1.00 0.00 N ATOM 379 CA ARG A 26 10.280 -18.840 -2.908 1.00 0.00 C ATOM 380 C ARG A 26 11.090 -19.838 -2.081 1.00 0.00 C ATOM 381 O ARG A 26 10.981 -19.872 -0.855 1.00 0.00 O ATOM 382 CB ARG A 26 8.904 -19.431 -3.236 1.00 0.00 C ATOM 383 CG ARG A 26 7.923 -18.424 -3.824 1.00 0.00 C ATOM 384 CD ARG A 26 7.352 -17.509 -2.751 1.00 0.00 C ATOM 385 NE ARG A 26 6.131 -16.833 -3.190 1.00 0.00 N ATOM 386 CZ ARG A 26 4.932 -17.412 -3.224 1.00 0.00 C ATOM 387 NH1 ARG A 26 4.792 -18.686 -2.878 1.00 0.00 N ATOM 388 NH2 ARG A 26 3.869 -16.716 -3.607 1.00 0.00 N ATOM 0 H ARG A 26 10.478 -18.712 -4.992 1.00 0.00 H new ATOM 0 HA ARG A 26 10.150 -17.932 -2.319 1.00 0.00 H new ATOM 0 HB2 ARG A 26 9.031 -20.253 -3.940 1.00 0.00 H new ATOM 0 HB3 ARG A 26 8.475 -19.853 -2.327 1.00 0.00 H new ATOM 0 HG2 ARG A 26 8.426 -17.826 -4.584 1.00 0.00 H new ATOM 0 HG3 ARG A 26 7.111 -18.954 -4.322 1.00 0.00 H new ATOM 0 HD2 ARG A 26 7.140 -18.092 -1.855 1.00 0.00 H new ATOM 0 HD3 ARG A 26 8.099 -16.764 -2.477 1.00 0.00 H new ATOM 0 HE ARG A 26 6.202 -15.860 -3.488 1.00 0.00 H new ATOM 0 HH11 ARG A 26 5.605 -19.227 -2.584 1.00 0.00 H new ATOM 0 HH12 ARG A 26 3.871 -19.124 -2.906 1.00 0.00 H new ATOM 0 HH21 ARG A 26 3.970 -15.737 -3.876 1.00 0.00 H new ATOM 0 HH22 ARG A 26 2.951 -17.160 -3.633 1.00 0.00 H new ATOM 402 N ALA A 27 11.885 -20.666 -2.758 1.00 0.00 N ATOM 403 CA ALA A 27 12.690 -21.677 -2.077 1.00 0.00 C ATOM 404 C ALA A 27 14.013 -21.116 -1.550 1.00 0.00 C ATOM 405 O ALA A 27 14.890 -21.875 -1.139 1.00 0.00 O ATOM 406 CB ALA A 27 12.950 -22.855 -3.003 1.00 0.00 C ATOM 0 H ALA A 27 11.988 -20.656 -3.773 1.00 0.00 H new ATOM 0 HA ALA A 27 12.117 -22.013 -1.213 1.00 0.00 H new ATOM 0 HB1 ALA A 27 13.551 -23.601 -2.483 1.00 0.00 H new ATOM 0 HB2 ALA A 27 12.001 -23.299 -3.303 1.00 0.00 H new ATOM 0 HB3 ALA A 27 13.485 -22.511 -3.888 1.00 0.00 H new ATOM 412 N GLN A 28 14.165 -19.793 -1.578 1.00 0.00 N ATOM 413 CA GLN A 28 15.393 -19.145 -1.116 1.00 0.00 C ATOM 414 C GLN A 28 16.587 -19.471 -2.014 1.00 0.00 C ATOM 415 O GLN A 28 17.709 -19.653 -1.542 1.00 0.00 O ATOM 416 CB GLN A 28 15.699 -19.559 0.325 1.00 0.00 C ATOM 417 CG GLN A 28 14.514 -19.397 1.264 1.00 0.00 C ATOM 418 CD GLN A 28 14.920 -19.391 2.725 1.00 0.00 C ATOM 419 OE1 GLN A 28 14.453 -20.213 3.513 1.00 0.00 O ATOM 420 NE2 GLN A 28 15.793 -18.461 3.094 1.00 0.00 N ATOM 0 H GLN A 28 13.452 -19.147 -1.916 1.00 0.00 H new ATOM 0 HA GLN A 28 15.228 -18.068 -1.161 1.00 0.00 H new ATOM 0 HB2 GLN A 28 16.022 -20.600 0.335 1.00 0.00 H new ATOM 0 HB3 GLN A 28 16.532 -18.963 0.697 1.00 0.00 H new ATOM 0 HG2 GLN A 28 13.996 -18.466 1.031 1.00 0.00 H new ATOM 0 HG3 GLN A 28 13.806 -20.207 1.092 1.00 0.00 H new ATOM 0 HE21 GLN A 28 16.154 -17.799 2.407 1.00 0.00 H new ATOM 0 HE22 GLN A 28 16.102 -18.408 4.065 1.00 0.00 H new ATOM 429 N GLN A 29 16.329 -19.501 -3.316 1.00 0.00 N ATOM 430 CA GLN A 29 17.364 -19.754 -4.313 1.00 0.00 C ATOM 431 C GLN A 29 17.452 -18.551 -5.249 1.00 0.00 C ATOM 432 O GLN A 29 16.428 -18.011 -5.656 1.00 0.00 O ATOM 433 CB GLN A 29 17.055 -21.034 -5.094 1.00 0.00 C ATOM 434 CG GLN A 29 16.861 -22.250 -4.200 1.00 0.00 C ATOM 435 CD GLN A 29 16.811 -23.550 -4.978 1.00 0.00 C ATOM 436 OE1 GLN A 29 16.267 -23.607 -6.081 1.00 0.00 O ATOM 437 NE2 GLN A 29 17.377 -24.605 -4.403 1.00 0.00 N ATOM 0 H GLN A 29 15.400 -19.351 -3.710 1.00 0.00 H new ATOM 0 HA GLN A 29 18.325 -19.895 -3.818 1.00 0.00 H new ATOM 0 HB2 GLN A 29 16.154 -20.881 -5.688 1.00 0.00 H new ATOM 0 HB3 GLN A 29 17.868 -21.231 -5.793 1.00 0.00 H new ATOM 0 HG2 GLN A 29 17.675 -22.296 -3.476 1.00 0.00 H new ATOM 0 HG3 GLN A 29 15.937 -22.135 -3.634 1.00 0.00 H new ATOM 0 HE21 GLN A 29 17.817 -24.512 -3.487 1.00 0.00 H new ATOM 0 HE22 GLN A 29 17.372 -25.508 -4.877 1.00 0.00 H new ATOM 446 N PHE A 30 18.667 -18.108 -5.569 1.00 0.00 N ATOM 447 CA PHE A 30 18.842 -16.937 -6.433 1.00 0.00 C ATOM 448 C PHE A 30 18.968 -17.326 -7.902 1.00 0.00 C ATOM 449 O PHE A 30 19.807 -18.148 -8.271 1.00 0.00 O ATOM 450 CB PHE A 30 20.080 -16.147 -6.007 1.00 0.00 C ATOM 451 CG PHE A 30 19.877 -15.341 -4.756 1.00 0.00 C ATOM 452 CD1 PHE A 30 19.331 -14.069 -4.816 1.00 0.00 C ATOM 453 CD2 PHE A 30 20.227 -15.859 -3.520 1.00 0.00 C ATOM 454 CE1 PHE A 30 19.138 -13.328 -3.665 1.00 0.00 C ATOM 455 CE2 PHE A 30 20.038 -15.123 -2.366 1.00 0.00 C ATOM 456 CZ PHE A 30 19.493 -13.855 -2.438 1.00 0.00 C ATOM 0 H PHE A 30 19.536 -18.535 -5.249 1.00 0.00 H new ATOM 0 HA PHE A 30 17.952 -16.318 -6.323 1.00 0.00 H new ATOM 0 HB2 PHE A 30 20.908 -16.840 -5.853 1.00 0.00 H new ATOM 0 HB3 PHE A 30 20.371 -15.478 -6.817 1.00 0.00 H new ATOM 0 HD1 PHE A 30 19.053 -13.652 -5.773 1.00 0.00 H new ATOM 0 HD2 PHE A 30 20.653 -16.850 -3.458 1.00 0.00 H new ATOM 0 HE1 PHE A 30 18.710 -12.338 -3.725 1.00 0.00 H new ATOM 0 HE2 PHE A 30 20.316 -15.538 -1.409 1.00 0.00 H new ATOM 0 HZ PHE A 30 19.345 -13.277 -1.537 1.00 0.00 H new ATOM 466 N VAL A 31 18.128 -16.721 -8.740 1.00 0.00 N ATOM 467 CA VAL A 31 18.142 -16.995 -10.170 1.00 0.00 C ATOM 468 C VAL A 31 18.160 -15.699 -10.980 1.00 0.00 C ATOM 469 O VAL A 31 17.691 -14.659 -10.519 1.00 0.00 O ATOM 470 CB VAL A 31 16.920 -17.828 -10.594 1.00 0.00 C ATOM 471 CG1 VAL A 31 16.977 -19.215 -9.974 1.00 0.00 C ATOM 472 CG2 VAL A 31 15.634 -17.114 -10.208 1.00 0.00 C ATOM 0 H VAL A 31 17.429 -16.037 -8.450 1.00 0.00 H new ATOM 0 HA VAL A 31 19.050 -17.562 -10.372 1.00 0.00 H new ATOM 0 HB VAL A 31 16.936 -17.942 -11.678 1.00 0.00 H new ATOM 0 HG11 VAL A 31 16.104 -19.789 -10.286 1.00 0.00 H new ATOM 0 HG12 VAL A 31 17.883 -19.724 -10.304 1.00 0.00 H new ATOM 0 HG13 VAL A 31 16.985 -19.128 -8.888 1.00 0.00 H new ATOM 0 HG21 VAL A 31 14.778 -17.715 -10.514 1.00 0.00 H new ATOM 0 HG22 VAL A 31 15.608 -16.970 -9.128 1.00 0.00 H new ATOM 0 HG23 VAL A 31 15.593 -16.145 -10.705 1.00 0.00 H new ATOM 482 N SER A 32 18.724 -15.766 -12.182 1.00 0.00 N ATOM 483 CA SER A 32 18.820 -14.595 -13.051 1.00 0.00 C ATOM 484 C SER A 32 17.462 -14.220 -13.645 1.00 0.00 C ATOM 485 O SER A 32 16.722 -15.075 -14.131 1.00 0.00 O ATOM 486 CB SER A 32 19.826 -14.851 -14.175 1.00 0.00 C ATOM 487 OG SER A 32 20.017 -13.690 -14.964 1.00 0.00 O ATOM 0 H SER A 32 19.122 -16.618 -12.578 1.00 0.00 H new ATOM 0 HA SER A 32 19.162 -13.759 -12.441 1.00 0.00 H new ATOM 0 HB2 SER A 32 20.779 -15.166 -13.749 1.00 0.00 H new ATOM 0 HB3 SER A 32 19.473 -15.668 -14.804 1.00 0.00 H new ATOM 0 HG SER A 32 20.665 -13.880 -15.674 1.00 0.00 H new ATOM 493 N THR A 33 17.152 -12.924 -13.605 1.00 0.00 N ATOM 494 CA THR A 33 15.892 -12.406 -14.136 1.00 0.00 C ATOM 495 C THR A 33 16.099 -11.017 -14.735 1.00 0.00 C ATOM 496 O THR A 33 17.092 -10.350 -14.440 1.00 0.00 O ATOM 497 CB THR A 33 14.826 -12.354 -13.040 1.00 0.00 C ATOM 498 OG1 THR A 33 13.657 -11.704 -13.508 1.00 0.00 O ATOM 499 CG2 THR A 33 15.283 -11.632 -11.791 1.00 0.00 C ATOM 0 H THR A 33 17.762 -12.209 -13.207 1.00 0.00 H new ATOM 0 HA THR A 33 15.549 -13.080 -14.921 1.00 0.00 H new ATOM 0 HB THR A 33 14.625 -13.394 -12.785 1.00 0.00 H new ATOM 0 HG1 THR A 33 13.209 -12.272 -14.169 1.00 0.00 H new ATOM 0 HG21 THR A 33 14.479 -11.632 -11.056 1.00 0.00 H new ATOM 0 HG22 THR A 33 16.154 -12.139 -11.376 1.00 0.00 H new ATOM 0 HG23 THR A 33 15.546 -10.604 -12.041 1.00 0.00 H new ATOM 507 N LYS A 34 15.167 -10.578 -15.576 1.00 0.00 N ATOM 508 CA LYS A 34 15.288 -9.272 -16.204 1.00 0.00 C ATOM 509 C LYS A 34 13.935 -8.584 -16.366 1.00 0.00 C ATOM 510 O LYS A 34 12.888 -9.231 -16.407 1.00 0.00 O ATOM 511 CB LYS A 34 15.963 -9.407 -17.570 1.00 0.00 C ATOM 512 CG LYS A 34 16.510 -8.095 -18.106 1.00 0.00 C ATOM 513 CD LYS A 34 17.131 -8.269 -19.483 1.00 0.00 C ATOM 514 CE LYS A 34 16.069 -8.431 -20.559 1.00 0.00 C ATOM 515 NZ LYS A 34 16.584 -9.180 -21.739 1.00 0.00 N ATOM 0 H LYS A 34 14.331 -11.102 -15.834 1.00 0.00 H new ATOM 0 HA LYS A 34 15.899 -8.652 -15.548 1.00 0.00 H new ATOM 0 HB2 LYS A 34 16.777 -10.128 -17.495 1.00 0.00 H new ATOM 0 HB3 LYS A 34 15.245 -9.811 -18.283 1.00 0.00 H new ATOM 0 HG2 LYS A 34 15.707 -7.360 -18.158 1.00 0.00 H new ATOM 0 HG3 LYS A 34 17.257 -7.703 -17.416 1.00 0.00 H new ATOM 0 HD2 LYS A 34 17.755 -7.405 -19.713 1.00 0.00 H new ATOM 0 HD3 LYS A 34 17.784 -9.142 -19.481 1.00 0.00 H new ATOM 0 HE2 LYS A 34 15.208 -8.955 -20.144 1.00 0.00 H new ATOM 0 HE3 LYS A 34 15.721 -7.448 -20.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 15.830 -9.269 -22.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 17.389 -8.667 -22.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 16.893 -10.127 -21.441 1.00 0.00 H new ATOM 529 N ILE A 35 13.984 -7.260 -16.475 1.00 0.00 N ATOM 530 CA ILE A 35 12.793 -6.436 -16.647 1.00 0.00 C ATOM 531 C ILE A 35 13.062 -5.403 -17.737 1.00 0.00 C ATOM 532 O ILE A 35 14.089 -4.725 -17.707 1.00 0.00 O ATOM 533 CB ILE A 35 12.421 -5.728 -15.325 1.00 0.00 C ATOM 534 CG1 ILE A 35 11.123 -4.932 -15.469 1.00 0.00 C ATOM 535 CG2 ILE A 35 13.554 -4.826 -14.869 1.00 0.00 C ATOM 536 CD1 ILE A 35 9.913 -5.649 -14.914 1.00 0.00 C ATOM 0 H ILE A 35 14.853 -6.727 -16.446 1.00 0.00 H new ATOM 0 HA ILE A 35 11.955 -7.071 -16.935 1.00 0.00 H new ATOM 0 HB ILE A 35 12.260 -6.494 -14.567 1.00 0.00 H new ATOM 0 HG12 ILE A 35 11.234 -3.975 -14.959 1.00 0.00 H new ATOM 0 HG13 ILE A 35 10.955 -4.714 -16.524 1.00 0.00 H new ATOM 0 HG21 ILE A 35 13.275 -4.335 -13.937 1.00 0.00 H new ATOM 0 HG22 ILE A 35 14.453 -5.422 -14.711 1.00 0.00 H new ATOM 0 HG23 ILE A 35 13.748 -4.072 -15.632 1.00 0.00 H new ATOM 0 HD11 ILE A 35 9.028 -5.027 -15.049 1.00 0.00 H new ATOM 0 HD12 ILE A 35 9.777 -6.594 -15.440 1.00 0.00 H new ATOM 0 HD13 ILE A 35 10.061 -5.843 -13.852 1.00 0.00 H new ATOM 548 N ASN A 36 12.166 -5.296 -18.715 1.00 0.00 N ATOM 549 CA ASN A 36 12.355 -4.362 -19.823 1.00 0.00 C ATOM 550 C ASN A 36 11.778 -2.986 -19.497 1.00 0.00 C ATOM 551 O ASN A 36 10.570 -2.841 -19.318 1.00 0.00 O ATOM 552 CB ASN A 36 11.671 -4.922 -21.070 1.00 0.00 C ATOM 553 CG ASN A 36 12.210 -4.322 -22.352 1.00 0.00 C ATOM 554 OD1 ASN A 36 13.331 -4.617 -22.762 1.00 0.00 O ATOM 555 ND2 ASN A 36 11.409 -3.484 -22.996 1.00 0.00 N ATOM 0 H ASN A 36 11.306 -5.842 -18.764 1.00 0.00 H new ATOM 0 HA ASN A 36 13.425 -4.245 -19.998 1.00 0.00 H new ATOM 0 HB2 ASN A 36 11.803 -6.004 -21.097 1.00 0.00 H new ATOM 0 HB3 ASN A 36 10.599 -4.733 -21.008 1.00 0.00 H new ATOM 0 HD21 ASN A 36 11.715 -3.055 -23.869 1.00 0.00 H new ATOM 0 HD22 ASN A 36 10.486 -3.268 -22.618 1.00 0.00 H new ATOM 562 N LEU A 37 12.642 -1.977 -19.436 1.00 0.00 N ATOM 563 CA LEU A 37 12.198 -0.618 -19.141 1.00 0.00 C ATOM 564 C LEU A 37 11.788 0.122 -20.415 1.00 0.00 C ATOM 565 O LEU A 37 11.151 1.172 -20.347 1.00 0.00 O ATOM 566 CB LEU A 37 13.293 0.161 -18.406 1.00 0.00 C ATOM 567 CG LEU A 37 13.815 -0.510 -17.133 1.00 0.00 C ATOM 568 CD1 LEU A 37 14.919 -1.503 -17.464 1.00 0.00 C ATOM 569 CD2 LEU A 37 14.313 0.534 -16.143 1.00 0.00 C ATOM 0 H LEU A 37 13.646 -2.073 -19.586 1.00 0.00 H new ATOM 0 HA LEU A 37 11.323 -0.690 -18.494 1.00 0.00 H new ATOM 0 HB2 LEU A 37 14.129 0.315 -19.088 1.00 0.00 H new ATOM 0 HB3 LEU A 37 12.907 1.147 -18.148 1.00 0.00 H new ATOM 0 HG LEU A 37 12.992 -1.055 -16.672 1.00 0.00 H new ATOM 0 HD11 LEU A 37 15.276 -1.969 -16.546 1.00 0.00 H new ATOM 0 HD12 LEU A 37 14.529 -2.271 -18.133 1.00 0.00 H new ATOM 0 HD13 LEU A 37 15.743 -0.982 -17.951 1.00 0.00 H new ATOM 0 HD21 LEU A 37 14.680 0.038 -15.245 1.00 0.00 H new ATOM 0 HD22 LEU A 37 15.121 1.109 -16.596 1.00 0.00 H new ATOM 0 HD23 LEU A 37 13.495 1.204 -15.879 1.00 0.00 H new ATOM 581 N ASP A 38 12.185 -0.404 -21.577 1.00 0.00 N ATOM 582 CA ASP A 38 11.874 0.245 -22.852 1.00 0.00 C ATOM 583 C ASP A 38 10.372 0.497 -23.008 1.00 0.00 C ATOM 584 O ASP A 38 9.958 1.595 -23.378 1.00 0.00 O ATOM 585 CB ASP A 38 12.360 -0.591 -24.047 1.00 0.00 C ATOM 586 CG ASP A 38 13.624 -1.387 -23.770 1.00 0.00 C ATOM 587 OD1 ASP A 38 13.708 -2.024 -22.700 1.00 0.00 O ATOM 588 OD2 ASP A 38 14.528 -1.379 -24.633 1.00 0.00 O ATOM 0 H ASP A 38 12.718 -1.270 -21.661 1.00 0.00 H new ATOM 0 HA ASP A 38 12.399 1.200 -22.842 1.00 0.00 H new ATOM 0 HB2 ASP A 38 11.567 -1.278 -24.343 1.00 0.00 H new ATOM 0 HB3 ASP A 38 12.539 0.073 -24.893 1.00 0.00 H new ATOM 593 N ASP A 39 9.551 -0.511 -22.725 1.00 0.00 N ATOM 594 CA ASP A 39 8.099 -0.357 -22.842 1.00 0.00 C ATOM 595 C ASP A 39 7.469 0.079 -21.524 1.00 0.00 C ATOM 596 O ASP A 39 6.294 0.438 -21.485 1.00 0.00 O ATOM 597 CB ASP A 39 7.429 -1.643 -23.325 1.00 0.00 C ATOM 598 CG ASP A 39 8.243 -2.366 -24.379 1.00 0.00 C ATOM 599 OD1 ASP A 39 8.443 -1.792 -25.470 1.00 0.00 O ATOM 600 OD2 ASP A 39 8.677 -3.507 -24.115 1.00 0.00 O ATOM 0 H ASP A 39 9.859 -1.433 -22.417 1.00 0.00 H new ATOM 0 HA ASP A 39 7.934 0.424 -23.585 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.271 -2.307 -22.475 1.00 0.00 H new ATOM 0 HB3 ASP A 39 6.446 -1.405 -23.731 1.00 0.00 H new ATOM 605 N HIS A 40 8.241 0.051 -20.442 1.00 0.00 N ATOM 606 CA HIS A 40 7.730 0.454 -19.136 1.00 0.00 C ATOM 607 C HIS A 40 8.098 1.906 -18.871 1.00 0.00 C ATOM 608 O HIS A 40 7.230 2.775 -18.787 1.00 0.00 O ATOM 609 CB HIS A 40 8.300 -0.449 -18.036 1.00 0.00 C ATOM 610 CG HIS A 40 7.502 -1.700 -17.822 1.00 0.00 C ATOM 611 ND1 HIS A 40 6.145 -1.691 -17.578 1.00 0.00 N ATOM 612 CD2 HIS A 40 7.872 -3.004 -17.830 1.00 0.00 C ATOM 613 CE1 HIS A 40 5.715 -2.933 -17.446 1.00 0.00 C ATOM 614 NE2 HIS A 40 6.742 -3.748 -17.594 1.00 0.00 N ATOM 0 H HIS A 40 9.217 -0.245 -20.443 1.00 0.00 H new ATOM 0 HA HIS A 40 6.645 0.353 -19.132 1.00 0.00 H new ATOM 0 HB2 HIS A 40 9.324 -0.719 -18.292 1.00 0.00 H new ATOM 0 HB3 HIS A 40 8.342 0.111 -17.102 1.00 0.00 H new ATOM 0 HD2 HIS A 40 8.869 -3.386 -17.992 1.00 0.00 H new ATOM 0 HE1 HIS A 40 4.696 -3.231 -17.250 1.00 0.00 H new ATOM 0 HE2 HIS A 40 6.703 -4.766 -17.542 1.00 0.00 H new ATOM 623 N ILE A 41 9.398 2.161 -18.760 1.00 0.00 N ATOM 624 CA ILE A 41 9.894 3.507 -18.531 1.00 0.00 C ATOM 625 C ILE A 41 9.980 4.276 -19.851 1.00 0.00 C ATOM 626 O ILE A 41 10.218 3.693 -20.907 1.00 0.00 O ATOM 627 CB ILE A 41 11.272 3.491 -17.827 1.00 0.00 C ATOM 628 CG1 ILE A 41 11.141 2.900 -16.419 1.00 0.00 C ATOM 629 CG2 ILE A 41 11.861 4.894 -17.755 1.00 0.00 C ATOM 630 CD1 ILE A 41 10.762 1.435 -16.403 1.00 0.00 C ATOM 0 H ILE A 41 10.126 1.449 -18.826 1.00 0.00 H new ATOM 0 HA ILE A 41 9.189 4.013 -17.872 1.00 0.00 H new ATOM 0 HB ILE A 41 11.947 2.866 -18.412 1.00 0.00 H new ATOM 0 HG12 ILE A 41 12.087 3.026 -15.893 1.00 0.00 H new ATOM 0 HG13 ILE A 41 10.391 3.466 -15.866 1.00 0.00 H new ATOM 0 HG21 ILE A 41 12.829 4.857 -17.256 1.00 0.00 H new ATOM 0 HG22 ILE A 41 11.987 5.288 -18.764 1.00 0.00 H new ATOM 0 HG23 ILE A 41 11.188 5.543 -17.194 1.00 0.00 H new ATOM 0 HD11 ILE A 41 10.689 1.089 -15.372 1.00 0.00 H new ATOM 0 HD12 ILE A 41 9.801 1.302 -16.899 1.00 0.00 H new ATOM 0 HD13 ILE A 41 11.523 0.856 -16.926 1.00 0.00 H new ATOM 642 N ALA A 42 9.761 5.582 -19.774 1.00 0.00 N ATOM 643 CA ALA A 42 9.797 6.439 -20.964 1.00 0.00 C ATOM 644 C ALA A 42 10.445 7.791 -20.678 1.00 0.00 C ATOM 645 O ALA A 42 10.756 8.119 -19.533 1.00 0.00 O ATOM 646 CB ALA A 42 8.393 6.638 -21.510 1.00 0.00 C ATOM 0 H ALA A 42 9.557 6.075 -18.905 1.00 0.00 H new ATOM 0 HA ALA A 42 10.409 5.934 -21.711 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.433 7.276 -22.393 1.00 0.00 H new ATOM 0 HB2 ALA A 42 7.967 5.672 -21.779 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.770 7.110 -20.750 1.00 0.00 H new ATOM 652 N ASN A 43 10.665 8.559 -21.743 1.00 0.00 N ATOM 653 CA ASN A 43 11.291 9.874 -21.640 1.00 0.00 C ATOM 654 C ASN A 43 10.299 10.981 -21.998 1.00 0.00 C ATOM 655 O ASN A 43 9.875 11.098 -23.148 1.00 0.00 O ATOM 656 CB ASN A 43 12.507 9.936 -22.567 1.00 0.00 C ATOM 657 CG ASN A 43 13.163 11.301 -22.586 1.00 0.00 C ATOM 658 OD1 ASN A 43 12.960 12.037 -23.672 1.00 0.00 O flip ATOM 659 ND2 ASN A 43 13.841 11.689 -21.635 1.00 0.00 N flip ATOM 0 H ASN A 43 10.416 8.289 -22.695 1.00 0.00 H new ATOM 0 HA ASN A 43 11.611 10.028 -20.610 1.00 0.00 H new ATOM 0 HB2 ASN A 43 13.237 9.192 -22.250 1.00 0.00 H new ATOM 0 HB3 ASN A 43 12.200 9.671 -23.579 1.00 0.00 H new ATOM 0 HD21 ASN A 43 13.969 11.088 -20.821 1.00 0.00 H new ATOM 0 HD22 ASN A 43 14.275 12.612 -21.661 1.00 0.00 H new ATOM 666 N ILE A 44 9.941 11.795 -21.010 1.00 0.00 N ATOM 667 CA ILE A 44 9.006 12.896 -21.225 1.00 0.00 C ATOM 668 C ILE A 44 9.697 14.250 -21.046 1.00 0.00 C ATOM 669 O ILE A 44 9.725 14.806 -19.948 1.00 0.00 O ATOM 670 CB ILE A 44 7.790 12.790 -20.279 1.00 0.00 C ATOM 671 CG1 ILE A 44 6.995 11.520 -20.590 1.00 0.00 C ATOM 672 CG2 ILE A 44 6.893 14.016 -20.403 1.00 0.00 C ATOM 673 CD1 ILE A 44 7.715 10.244 -20.212 1.00 0.00 C ATOM 0 H ILE A 44 10.284 11.714 -20.053 1.00 0.00 H new ATOM 0 HA ILE A 44 8.649 12.823 -22.252 1.00 0.00 H new ATOM 0 HB ILE A 44 8.156 12.741 -19.254 1.00 0.00 H new ATOM 0 HG12 ILE A 44 6.043 11.560 -20.061 1.00 0.00 H new ATOM 0 HG13 ILE A 44 6.767 11.496 -21.656 1.00 0.00 H new ATOM 0 HG21 ILE A 44 6.044 13.916 -19.726 1.00 0.00 H new ATOM 0 HG22 ILE A 44 7.460 14.910 -20.144 1.00 0.00 H new ATOM 0 HG23 ILE A 44 6.532 14.100 -21.428 1.00 0.00 H new ATOM 0 HD11 ILE A 44 7.091 9.386 -20.462 1.00 0.00 H new ATOM 0 HD12 ILE A 44 8.655 10.181 -20.760 1.00 0.00 H new ATOM 0 HD13 ILE A 44 7.919 10.245 -19.141 1.00 0.00 H new ATOM 685 N ASP A 45 10.250 14.772 -22.140 1.00 0.00 N ATOM 686 CA ASP A 45 10.944 16.063 -22.122 1.00 0.00 C ATOM 687 C ASP A 45 12.259 15.979 -21.352 1.00 0.00 C ATOM 688 O ASP A 45 12.647 16.923 -20.662 1.00 0.00 O ATOM 689 CB ASP A 45 10.049 17.142 -21.505 1.00 0.00 C ATOM 690 CG ASP A 45 10.586 18.542 -21.735 1.00 0.00 C ATOM 691 OD1 ASP A 45 11.734 18.668 -22.212 1.00 0.00 O ATOM 692 OD2 ASP A 45 9.859 19.513 -21.439 1.00 0.00 O ATOM 0 H ASP A 45 10.232 14.320 -23.054 1.00 0.00 H new ATOM 0 HA ASP A 45 11.170 16.330 -23.154 1.00 0.00 H new ATOM 0 HB2 ASP A 45 9.048 17.066 -21.929 1.00 0.00 H new ATOM 0 HB3 ASP A 45 9.955 16.963 -20.434 1.00 0.00 H new ATOM 697 N GLY A 46 12.951 14.852 -21.487 1.00 0.00 N ATOM 698 CA GLY A 46 14.223 14.679 -20.809 1.00 0.00 C ATOM 699 C GLY A 46 14.081 14.159 -19.390 1.00 0.00 C ATOM 700 O GLY A 46 15.080 13.973 -18.696 1.00 0.00 O ATOM 0 H GLY A 46 12.654 14.057 -22.053 1.00 0.00 H new ATOM 0 HA2 GLY A 46 14.841 13.988 -21.382 1.00 0.00 H new ATOM 0 HA3 GLY A 46 14.748 15.634 -20.788 1.00 0.00 H new ATOM 704 N THR A 47 12.848 13.915 -18.952 1.00 0.00 N ATOM 705 CA THR A 47 12.606 13.411 -17.604 1.00 0.00 C ATOM 706 C THR A 47 12.057 11.988 -17.648 1.00 0.00 C ATOM 707 O THR A 47 11.203 11.666 -18.475 1.00 0.00 O ATOM 708 CB THR A 47 11.629 14.330 -16.867 1.00 0.00 C ATOM 709 OG1 THR A 47 12.092 15.669 -16.886 1.00 0.00 O ATOM 710 CG2 THR A 47 11.411 13.941 -15.421 1.00 0.00 C ATOM 0 H THR A 47 12.005 14.058 -19.508 1.00 0.00 H new ATOM 0 HA THR A 47 13.555 13.396 -17.067 1.00 0.00 H new ATOM 0 HB THR A 47 10.682 14.229 -17.398 1.00 0.00 H new ATOM 0 HG1 THR A 47 11.454 16.242 -16.412 1.00 0.00 H new ATOM 0 HG21 THR A 47 10.708 14.634 -14.960 1.00 0.00 H new ATOM 0 HG22 THR A 47 11.007 12.930 -15.373 1.00 0.00 H new ATOM 0 HG23 THR A 47 12.361 13.978 -14.887 1.00 0.00 H new ATOM 718 N LEU A 48 12.586 11.132 -16.780 1.00 0.00 N ATOM 719 CA LEU A 48 12.184 9.730 -16.753 1.00 0.00 C ATOM 720 C LEU A 48 10.830 9.543 -16.072 1.00 0.00 C ATOM 721 O LEU A 48 10.661 9.819 -14.884 1.00 0.00 O ATOM 722 CB LEU A 48 13.245 8.892 -16.034 1.00 0.00 C ATOM 723 CG LEU A 48 14.531 8.643 -16.826 1.00 0.00 C ATOM 724 CD1 LEU A 48 15.692 8.358 -15.885 1.00 0.00 C ATOM 725 CD2 LEU A 48 14.343 7.490 -17.801 1.00 0.00 C ATOM 0 H LEU A 48 13.292 11.383 -16.088 1.00 0.00 H new ATOM 0 HA LEU A 48 12.090 9.394 -17.786 1.00 0.00 H new ATOM 0 HB2 LEU A 48 13.504 9.389 -15.099 1.00 0.00 H new ATOM 0 HB3 LEU A 48 12.807 7.929 -15.772 1.00 0.00 H new ATOM 0 HG LEU A 48 14.762 9.543 -17.396 1.00 0.00 H new ATOM 0 HD11 LEU A 48 16.597 8.184 -16.467 1.00 0.00 H new ATOM 0 HD12 LEU A 48 15.844 9.212 -15.225 1.00 0.00 H new ATOM 0 HD13 LEU A 48 15.468 7.474 -15.288 1.00 0.00 H new ATOM 0 HD21 LEU A 48 15.267 7.328 -18.355 1.00 0.00 H new ATOM 0 HD22 LEU A 48 14.087 6.585 -17.250 1.00 0.00 H new ATOM 0 HD23 LEU A 48 13.540 7.730 -18.498 1.00 0.00 H new ATOM 737 N LYS A 49 9.874 9.053 -16.860 1.00 0.00 N ATOM 738 CA LYS A 49 8.517 8.793 -16.397 1.00 0.00 C ATOM 739 C LYS A 49 8.029 7.459 -16.960 1.00 0.00 C ATOM 740 O LYS A 49 8.607 6.941 -17.913 1.00 0.00 O ATOM 741 CB LYS A 49 7.572 9.922 -16.818 1.00 0.00 C ATOM 742 CG LYS A 49 8.178 11.310 -16.679 1.00 0.00 C ATOM 743 CD LYS A 49 8.185 11.773 -15.230 1.00 0.00 C ATOM 744 CE LYS A 49 8.144 13.290 -15.130 1.00 0.00 C ATOM 745 NZ LYS A 49 8.355 13.762 -13.733 1.00 0.00 N ATOM 0 H LYS A 49 10.023 8.825 -17.843 1.00 0.00 H new ATOM 0 HA LYS A 49 8.523 8.745 -15.308 1.00 0.00 H new ATOM 0 HB2 LYS A 49 7.275 9.767 -17.855 1.00 0.00 H new ATOM 0 HB3 LYS A 49 6.665 9.869 -16.215 1.00 0.00 H new ATOM 0 HG2 LYS A 49 9.197 11.303 -17.065 1.00 0.00 H new ATOM 0 HG3 LYS A 49 7.612 12.017 -17.285 1.00 0.00 H new ATOM 0 HD2 LYS A 49 7.327 11.349 -14.707 1.00 0.00 H new ATOM 0 HD3 LYS A 49 9.079 11.398 -14.731 1.00 0.00 H new ATOM 0 HE2 LYS A 49 8.910 13.717 -15.777 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.182 13.652 -15.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 8.320 14.801 -13.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 7.609 13.376 -13.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 9.284 13.439 -13.394 1.00 0.00 H new ATOM 759 N TRP A 50 6.973 6.902 -16.374 1.00 0.00 N ATOM 760 CA TRP A 50 6.444 5.618 -16.840 1.00 0.00 C ATOM 761 C TRP A 50 5.442 5.792 -17.981 1.00 0.00 C ATOM 762 O TRP A 50 4.457 6.519 -17.855 1.00 0.00 O ATOM 763 CB TRP A 50 5.786 4.861 -15.687 1.00 0.00 C ATOM 764 CG TRP A 50 6.780 4.158 -14.823 1.00 0.00 C ATOM 765 CD1 TRP A 50 7.501 3.044 -15.140 1.00 0.00 C ATOM 766 CD2 TRP A 50 7.177 4.534 -13.504 1.00 0.00 C ATOM 767 NE1 TRP A 50 8.327 2.709 -14.097 1.00 0.00 N ATOM 768 CE2 TRP A 50 8.143 3.607 -13.080 1.00 0.00 C ATOM 769 CE3 TRP A 50 6.808 5.566 -12.642 1.00 0.00 C ATOM 770 CZ2 TRP A 50 8.746 3.684 -11.831 1.00 0.00 C ATOM 771 CZ3 TRP A 50 7.407 5.641 -11.402 1.00 0.00 C ATOM 772 CH2 TRP A 50 8.367 4.704 -11.006 1.00 0.00 C ATOM 0 H TRP A 50 6.470 7.310 -15.586 1.00 0.00 H new ATOM 0 HA TRP A 50 7.288 5.042 -17.220 1.00 0.00 H new ATOM 0 HB2 TRP A 50 5.211 5.560 -15.079 1.00 0.00 H new ATOM 0 HB3 TRP A 50 5.081 4.134 -16.090 1.00 0.00 H new ATOM 0 HD1 TRP A 50 7.432 2.506 -16.074 1.00 0.00 H new ATOM 0 HE1 TRP A 50 8.973 1.920 -14.082 1.00 0.00 H new ATOM 0 HE3 TRP A 50 6.067 6.293 -12.940 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 9.488 2.963 -11.523 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 7.130 6.436 -10.726 1.00 0.00 H new ATOM 0 HH2 TRP A 50 8.818 4.789 -10.028 1.00 0.00 H new ATOM 783 N GLN A 51 5.708 5.111 -19.092 1.00 0.00 N ATOM 784 CA GLN A 51 4.843 5.172 -20.270 1.00 0.00 C ATOM 785 C GLN A 51 5.353 4.208 -21.341 1.00 0.00 C ATOM 786 O GLN A 51 6.555 3.959 -21.428 1.00 0.00 O ATOM 787 CB GLN A 51 4.800 6.602 -20.816 1.00 0.00 C ATOM 788 CG GLN A 51 3.980 6.756 -22.087 1.00 0.00 C ATOM 789 CD GLN A 51 4.030 8.168 -22.640 1.00 0.00 C ATOM 790 OE1 GLN A 51 4.275 8.373 -23.828 1.00 0.00 O ATOM 791 NE2 GLN A 51 3.797 9.150 -21.776 1.00 0.00 N ATOM 0 H GLN A 51 6.522 4.506 -19.203 1.00 0.00 H new ATOM 0 HA GLN A 51 3.833 4.877 -19.986 1.00 0.00 H new ATOM 0 HB2 GLN A 51 4.390 7.260 -20.050 1.00 0.00 H new ATOM 0 HB3 GLN A 51 5.819 6.936 -21.011 1.00 0.00 H new ATOM 0 HG2 GLN A 51 4.349 6.060 -22.841 1.00 0.00 H new ATOM 0 HG3 GLN A 51 2.944 6.485 -21.883 1.00 0.00 H new ATOM 0 HE21 GLN A 51 3.598 8.933 -20.799 1.00 0.00 H new ATOM 0 HE22 GLN A 51 3.817 10.120 -22.089 1.00 0.00 H new ATOM 800 N PRO A 52 4.454 3.638 -22.172 1.00 0.00 N ATOM 801 CA PRO A 52 4.854 2.695 -23.218 1.00 0.00 C ATOM 802 C PRO A 52 5.640 3.375 -24.331 1.00 0.00 C ATOM 803 O PRO A 52 5.195 3.462 -25.475 1.00 0.00 O ATOM 804 CB PRO A 52 3.534 2.114 -23.741 1.00 0.00 C ATOM 805 CG PRO A 52 2.471 2.602 -22.806 1.00 0.00 C ATOM 806 CD PRO A 52 3.002 3.854 -22.161 1.00 0.00 C ATOM 0 HA PRO A 52 5.522 1.925 -22.832 1.00 0.00 H new ATOM 0 HB2 PRO A 52 3.339 2.445 -24.761 1.00 0.00 H new ATOM 0 HB3 PRO A 52 3.567 1.025 -23.760 1.00 0.00 H new ATOM 0 HG2 PRO A 52 1.546 2.807 -23.345 1.00 0.00 H new ATOM 0 HG3 PRO A 52 2.241 1.847 -22.054 1.00 0.00 H new ATOM 0 HD2 PRO A 52 2.722 4.747 -22.720 1.00 0.00 H new ATOM 0 HD3 PRO A 52 2.620 3.980 -21.148 1.00 0.00 H new ATOM 814 N SER A 53 6.827 3.836 -23.966 1.00 0.00 N ATOM 815 CA SER A 53 7.740 4.500 -24.883 1.00 0.00 C ATOM 816 C SER A 53 9.153 4.370 -24.325 1.00 0.00 C ATOM 817 O SER A 53 9.374 4.598 -23.138 1.00 0.00 O ATOM 818 CB SER A 53 7.356 5.973 -25.057 1.00 0.00 C ATOM 819 OG SER A 53 6.953 6.546 -23.826 1.00 0.00 O ATOM 0 H SER A 53 7.187 3.759 -23.015 1.00 0.00 H new ATOM 0 HA SER A 53 7.686 4.033 -25.866 1.00 0.00 H new ATOM 0 HB2 SER A 53 8.204 6.528 -25.459 1.00 0.00 H new ATOM 0 HB3 SER A 53 6.547 6.057 -25.783 1.00 0.00 H new ATOM 0 HG SER A 53 6.137 7.072 -23.961 1.00 0.00 H new ATOM 825 N ASN A 54 10.099 3.956 -25.160 1.00 0.00 N ATOM 826 CA ASN A 54 11.477 3.751 -24.703 1.00 0.00 C ATOM 827 C ASN A 54 12.259 5.055 -24.627 1.00 0.00 C ATOM 828 O ASN A 54 12.621 5.643 -25.646 1.00 0.00 O ATOM 829 CB ASN A 54 12.215 2.760 -25.611 1.00 0.00 C ATOM 830 CG ASN A 54 11.283 1.789 -26.315 1.00 0.00 C ATOM 831 OD1 ASN A 54 10.672 0.928 -25.684 1.00 0.00 O ATOM 832 ND2 ASN A 54 11.178 1.920 -27.632 1.00 0.00 N ATOM 0 H ASN A 54 9.944 3.756 -26.148 1.00 0.00 H new ATOM 0 HA ASN A 54 11.412 3.338 -23.696 1.00 0.00 H new ATOM 0 HB2 ASN A 54 12.784 3.315 -26.358 1.00 0.00 H new ATOM 0 HB3 ASN A 54 12.934 2.197 -25.016 1.00 0.00 H new ATOM 0 HD21 ASN A 54 10.572 1.292 -28.160 1.00 0.00 H new ATOM 0 HD22 ASN A 54 11.703 2.649 -28.116 1.00 0.00 H new ATOM 839 N PHE A 55 12.537 5.482 -23.399 1.00 0.00 N ATOM 840 CA PHE A 55 13.299 6.701 -23.150 1.00 0.00 C ATOM 841 C PHE A 55 14.566 6.732 -24.007 1.00 0.00 C ATOM 842 O PHE A 55 15.036 7.796 -24.407 1.00 0.00 O ATOM 843 CB PHE A 55 13.662 6.794 -21.663 1.00 0.00 C ATOM 844 CG PHE A 55 14.390 5.585 -21.141 1.00 0.00 C ATOM 845 CD1 PHE A 55 13.687 4.488 -20.669 1.00 0.00 C ATOM 846 CD2 PHE A 55 15.775 5.545 -21.126 1.00 0.00 C ATOM 847 CE1 PHE A 55 14.351 3.374 -20.195 1.00 0.00 C ATOM 848 CE2 PHE A 55 16.445 4.432 -20.651 1.00 0.00 C ATOM 849 CZ PHE A 55 15.731 3.345 -20.185 1.00 0.00 C ATOM 0 H PHE A 55 12.242 4.996 -22.552 1.00 0.00 H new ATOM 0 HA PHE A 55 12.683 7.558 -23.421 1.00 0.00 H new ATOM 0 HB2 PHE A 55 14.281 7.677 -21.504 1.00 0.00 H new ATOM 0 HB3 PHE A 55 12.750 6.936 -21.084 1.00 0.00 H new ATOM 0 HD1 PHE A 55 12.607 4.505 -20.672 1.00 0.00 H new ATOM 0 HD2 PHE A 55 16.338 6.392 -21.489 1.00 0.00 H new ATOM 0 HE1 PHE A 55 13.791 2.525 -19.832 1.00 0.00 H new ATOM 0 HE2 PHE A 55 17.525 4.413 -20.644 1.00 0.00 H new ATOM 0 HZ PHE A 55 16.251 2.475 -19.814 1.00 0.00 H new ATOM 859 N SER A 56 15.108 5.546 -24.283 1.00 0.00 N ATOM 860 CA SER A 56 16.329 5.404 -25.077 1.00 0.00 C ATOM 861 C SER A 56 16.276 6.194 -26.388 1.00 0.00 C ATOM 862 O SER A 56 17.312 6.445 -27.004 1.00 0.00 O ATOM 863 CB SER A 56 16.588 3.929 -25.384 1.00 0.00 C ATOM 864 OG SER A 56 15.407 3.281 -25.820 1.00 0.00 O ATOM 0 H SER A 56 14.715 4.660 -23.964 1.00 0.00 H new ATOM 0 HA SER A 56 17.143 5.814 -24.479 1.00 0.00 H new ATOM 0 HB2 SER A 56 17.357 3.844 -26.152 1.00 0.00 H new ATOM 0 HB3 SER A 56 16.971 3.431 -24.493 1.00 0.00 H new ATOM 0 HG SER A 56 15.602 2.340 -26.011 1.00 0.00 H new ATOM 870 N GLN A 57 15.078 6.574 -26.823 1.00 0.00 N ATOM 871 CA GLN A 57 14.929 7.313 -28.073 1.00 0.00 C ATOM 872 C GLN A 57 15.651 8.657 -28.004 1.00 0.00 C ATOM 873 O GLN A 57 16.136 9.161 -29.018 1.00 0.00 O ATOM 874 CB GLN A 57 13.447 7.524 -28.391 1.00 0.00 C ATOM 875 CG GLN A 57 12.710 6.238 -28.733 1.00 0.00 C ATOM 876 CD GLN A 57 11.220 6.450 -28.925 1.00 0.00 C ATOM 877 OE1 GLN A 57 10.419 6.158 -28.037 1.00 0.00 O ATOM 878 NE2 GLN A 57 10.841 6.960 -30.091 1.00 0.00 N ATOM 0 H GLN A 57 14.203 6.385 -26.334 1.00 0.00 H new ATOM 0 HA GLN A 57 15.382 6.724 -28.871 1.00 0.00 H new ATOM 0 HB2 GLN A 57 12.963 7.994 -27.535 1.00 0.00 H new ATOM 0 HB3 GLN A 57 13.358 8.218 -29.227 1.00 0.00 H new ATOM 0 HG2 GLN A 57 13.133 5.813 -29.643 1.00 0.00 H new ATOM 0 HG3 GLN A 57 12.870 5.510 -27.938 1.00 0.00 H new ATOM 0 HE21 GLN A 57 11.539 7.188 -30.799 1.00 0.00 H new ATOM 0 HE22 GLN A 57 9.852 7.124 -30.279 1.00 0.00 H new ATOM 887 N THR A 58 15.735 9.228 -26.807 1.00 0.00 N ATOM 888 CA THR A 58 16.418 10.507 -26.623 1.00 0.00 C ATOM 889 C THR A 58 17.478 10.417 -25.527 1.00 0.00 C ATOM 890 O THR A 58 18.181 11.390 -25.257 1.00 0.00 O ATOM 891 CB THR A 58 15.424 11.609 -26.249 1.00 0.00 C ATOM 892 OG1 THR A 58 15.117 11.548 -24.869 1.00 0.00 O ATOM 893 CG2 THR A 58 14.116 11.536 -27.002 1.00 0.00 C ATOM 0 H THR A 58 15.342 8.830 -25.954 1.00 0.00 H new ATOM 0 HA THR A 58 16.898 10.750 -27.571 1.00 0.00 H new ATOM 0 HB THR A 58 15.922 12.541 -26.516 1.00 0.00 H new ATOM 0 HG1 THR A 58 14.276 12.022 -24.700 1.00 0.00 H new ATOM 0 HG21 THR A 58 13.466 12.350 -26.681 1.00 0.00 H new ATOM 0 HG22 THR A 58 14.307 11.624 -28.072 1.00 0.00 H new ATOM 0 HG23 THR A 58 13.631 10.582 -26.797 1.00 0.00 H new ATOM 901 N CYS A 59 17.574 9.262 -24.877 1.00 0.00 N ATOM 902 CA CYS A 59 18.532 9.085 -23.795 1.00 0.00 C ATOM 903 C CYS A 59 19.691 8.181 -24.197 1.00 0.00 C ATOM 904 O CYS A 59 19.542 7.283 -25.026 1.00 0.00 O ATOM 905 CB CYS A 59 17.832 8.510 -22.562 1.00 0.00 C ATOM 906 SG CYS A 59 16.223 9.278 -22.195 1.00 0.00 S ATOM 0 H CYS A 59 17.004 8.441 -25.079 1.00 0.00 H new ATOM 0 HA CYS A 59 18.943 10.067 -23.562 1.00 0.00 H new ATOM 0 HB2 CYS A 59 17.687 7.439 -22.706 1.00 0.00 H new ATOM 0 HB3 CYS A 59 18.485 8.630 -21.698 1.00 0.00 H new ATOM 911 N TYR A 60 20.853 8.451 -23.609 1.00 0.00 N ATOM 912 CA TYR A 60 22.068 7.688 -23.884 1.00 0.00 C ATOM 913 C TYR A 60 22.885 7.526 -22.605 1.00 0.00 C ATOM 914 O TYR A 60 22.729 8.298 -21.655 1.00 0.00 O ATOM 915 CB TYR A 60 22.908 8.380 -24.961 1.00 0.00 C ATOM 916 CG TYR A 60 23.314 9.792 -24.601 1.00 0.00 C ATOM 917 CD1 TYR A 60 22.365 10.797 -24.481 1.00 0.00 C ATOM 918 CD2 TYR A 60 24.647 10.118 -24.380 1.00 0.00 C ATOM 919 CE1 TYR A 60 22.730 12.088 -24.151 1.00 0.00 C ATOM 920 CE2 TYR A 60 25.020 11.407 -24.048 1.00 0.00 C ATOM 921 CZ TYR A 60 24.057 12.387 -23.935 1.00 0.00 C ATOM 922 OH TYR A 60 24.424 13.672 -23.605 1.00 0.00 O ATOM 0 H TYR A 60 20.980 9.202 -22.931 1.00 0.00 H new ATOM 0 HA TYR A 60 21.782 6.702 -24.251 1.00 0.00 H new ATOM 0 HB2 TYR A 60 23.805 7.789 -25.145 1.00 0.00 H new ATOM 0 HB3 TYR A 60 22.343 8.400 -25.893 1.00 0.00 H new ATOM 0 HD1 TYR A 60 21.323 10.566 -24.648 1.00 0.00 H new ATOM 0 HD2 TYR A 60 25.403 9.352 -24.469 1.00 0.00 H new ATOM 0 HE1 TYR A 60 21.979 12.859 -24.063 1.00 0.00 H new ATOM 0 HE2 TYR A 60 26.060 11.645 -23.878 1.00 0.00 H new ATOM 0 HH TYR A 60 24.116 14.289 -24.301 1.00 0.00 H new ATOM 932 N ASN A 61 23.741 6.508 -22.577 1.00 0.00 N ATOM 933 CA ASN A 61 24.572 6.238 -21.409 1.00 0.00 C ATOM 934 C ASN A 61 23.708 5.886 -20.201 1.00 0.00 C ATOM 935 O ASN A 61 23.937 6.374 -19.093 1.00 0.00 O ATOM 936 CB ASN A 61 25.453 7.449 -21.092 1.00 0.00 C ATOM 937 CG ASN A 61 26.393 7.792 -22.231 1.00 0.00 C ATOM 938 OD1 ASN A 61 26.279 7.248 -23.330 1.00 0.00 O ATOM 939 ND2 ASN A 61 27.330 8.697 -21.975 1.00 0.00 N ATOM 0 H ASN A 61 23.877 5.857 -23.350 1.00 0.00 H new ATOM 0 HA ASN A 61 25.213 5.386 -21.635 1.00 0.00 H new ATOM 0 HB2 ASN A 61 24.820 8.309 -20.875 1.00 0.00 H new ATOM 0 HB3 ASN A 61 26.035 7.247 -20.193 1.00 0.00 H new ATOM 0 HD21 ASN A 61 27.991 8.966 -22.703 1.00 0.00 H new ATOM 0 HD22 ASN A 61 27.389 9.123 -21.050 1.00 0.00 H new ATOM 946 N SER A 62 22.706 5.042 -20.430 1.00 0.00 N ATOM 947 CA SER A 62 21.805 4.620 -19.366 1.00 0.00 C ATOM 948 C SER A 62 22.536 3.736 -18.363 1.00 0.00 C ATOM 949 O SER A 62 23.305 2.852 -18.741 1.00 0.00 O ATOM 950 CB SER A 62 20.601 3.877 -19.949 1.00 0.00 C ATOM 951 OG SER A 62 19.795 4.742 -20.729 1.00 0.00 O ATOM 0 H SER A 62 22.499 4.638 -21.343 1.00 0.00 H new ATOM 0 HA SER A 62 21.448 5.509 -18.847 1.00 0.00 H new ATOM 0 HB2 SER A 62 20.946 3.045 -20.563 1.00 0.00 H new ATOM 0 HB3 SER A 62 20.006 3.452 -19.141 1.00 0.00 H new ATOM 0 HG SER A 62 19.487 4.269 -21.530 1.00 0.00 H new ATOM 957 N ALA A 63 22.288 3.984 -17.083 1.00 0.00 N ATOM 958 CA ALA A 63 22.920 3.215 -16.019 1.00 0.00 C ATOM 959 C ALA A 63 21.961 2.970 -14.862 1.00 0.00 C ATOM 960 O ALA A 63 21.047 3.758 -14.624 1.00 0.00 O ATOM 961 CB ALA A 63 24.166 3.931 -15.523 1.00 0.00 C ATOM 0 H ALA A 63 21.653 4.712 -16.757 1.00 0.00 H new ATOM 0 HA ALA A 63 23.202 2.246 -16.431 1.00 0.00 H new ATOM 0 HB1 ALA A 63 24.629 3.347 -14.728 1.00 0.00 H new ATOM 0 HB2 ALA A 63 24.871 4.047 -16.346 1.00 0.00 H new ATOM 0 HB3 ALA A 63 23.892 4.914 -15.139 1.00 0.00 H new ATOM 967 N ILE A 64 22.171 1.873 -14.144 1.00 0.00 N ATOM 968 CA ILE A 64 21.317 1.535 -13.017 1.00 0.00 C ATOM 969 C ILE A 64 22.127 1.234 -11.761 1.00 0.00 C ATOM 970 O ILE A 64 23.167 0.576 -11.814 1.00 0.00 O ATOM 971 CB ILE A 64 20.404 0.344 -13.355 1.00 0.00 C ATOM 972 CG1 ILE A 64 19.377 0.792 -14.396 1.00 0.00 C ATOM 973 CG2 ILE A 64 19.710 -0.184 -12.103 1.00 0.00 C ATOM 974 CD1 ILE A 64 18.367 -0.265 -14.755 1.00 0.00 C ATOM 0 H ILE A 64 22.922 1.207 -14.323 1.00 0.00 H new ATOM 0 HA ILE A 64 20.697 2.408 -12.815 1.00 0.00 H new ATOM 0 HB ILE A 64 21.005 -0.470 -13.761 1.00 0.00 H new ATOM 0 HG12 ILE A 64 18.851 1.669 -14.018 1.00 0.00 H new ATOM 0 HG13 ILE A 64 19.902 1.100 -15.300 1.00 0.00 H new ATOM 0 HG21 ILE A 64 19.070 -1.026 -12.369 1.00 0.00 H new ATOM 0 HG22 ILE A 64 20.459 -0.511 -11.382 1.00 0.00 H new ATOM 0 HG23 ILE A 64 19.104 0.607 -11.662 1.00 0.00 H new ATOM 0 HD11 ILE A 64 17.675 0.131 -15.498 1.00 0.00 H new ATOM 0 HD12 ILE A 64 18.881 -1.135 -15.164 1.00 0.00 H new ATOM 0 HD13 ILE A 64 17.813 -0.557 -13.863 1.00 0.00 H new ATOM 986 N GLN A 65 21.623 1.714 -10.632 1.00 0.00 N ATOM 987 CA GLN A 65 22.265 1.505 -9.341 1.00 0.00 C ATOM 988 C GLN A 65 21.220 1.083 -8.318 1.00 0.00 C ATOM 989 O GLN A 65 20.384 1.886 -7.904 1.00 0.00 O ATOM 990 CB GLN A 65 22.967 2.785 -8.880 1.00 0.00 C ATOM 991 CG GLN A 65 24.047 3.265 -9.835 1.00 0.00 C ATOM 992 CD GLN A 65 24.507 4.679 -9.534 1.00 0.00 C ATOM 993 OE1 GLN A 65 24.152 5.623 -10.239 1.00 0.00 O ATOM 994 NE2 GLN A 65 25.302 4.831 -8.480 1.00 0.00 N ATOM 0 H GLN A 65 20.761 2.257 -10.585 1.00 0.00 H new ATOM 0 HA GLN A 65 23.014 0.719 -9.439 1.00 0.00 H new ATOM 0 HB2 GLN A 65 22.224 3.573 -8.759 1.00 0.00 H new ATOM 0 HB3 GLN A 65 23.411 2.613 -7.900 1.00 0.00 H new ATOM 0 HG2 GLN A 65 24.901 2.590 -9.780 1.00 0.00 H new ATOM 0 HG3 GLN A 65 23.670 3.220 -10.857 1.00 0.00 H new ATOM 0 HE21 GLN A 65 25.571 4.020 -7.923 1.00 0.00 H new ATOM 0 HE22 GLN A 65 25.643 5.759 -8.228 1.00 0.00 H new ATOM 1003 N GLY A 66 21.254 -0.186 -7.931 1.00 0.00 N ATOM 1004 CA GLY A 66 20.283 -0.689 -6.979 1.00 0.00 C ATOM 1005 C GLY A 66 18.887 -0.700 -7.570 1.00 0.00 C ATOM 1006 O GLY A 66 18.641 -1.370 -8.573 1.00 0.00 O ATOM 0 H GLY A 66 21.933 -0.873 -8.258 1.00 0.00 H new ATOM 0 HA2 GLY A 66 20.559 -1.698 -6.674 1.00 0.00 H new ATOM 0 HA3 GLY A 66 20.296 -0.070 -6.082 1.00 0.00 H new ATOM 1010 N SER A 67 17.966 0.027 -6.948 1.00 0.00 N ATOM 1011 CA SER A 67 16.590 0.075 -7.427 1.00 0.00 C ATOM 1012 C SER A 67 16.311 1.341 -8.241 1.00 0.00 C ATOM 1013 O SER A 67 15.217 1.503 -8.781 1.00 0.00 O ATOM 1014 CB SER A 67 15.622 0.002 -6.244 1.00 0.00 C ATOM 1015 OG SER A 67 15.503 1.260 -5.603 1.00 0.00 O ATOM 0 H SER A 67 18.146 0.588 -6.116 1.00 0.00 H new ATOM 0 HA SER A 67 16.442 -0.783 -8.082 1.00 0.00 H new ATOM 0 HB2 SER A 67 14.642 -0.326 -6.592 1.00 0.00 H new ATOM 0 HB3 SER A 67 15.973 -0.742 -5.529 1.00 0.00 H new ATOM 0 HG SER A 67 15.008 1.154 -4.764 1.00 0.00 H new ATOM 1021 N VAL A 68 17.294 2.236 -8.329 1.00 0.00 N ATOM 1022 CA VAL A 68 17.123 3.482 -9.078 1.00 0.00 C ATOM 1023 C VAL A 68 17.820 3.444 -10.442 1.00 0.00 C ATOM 1024 O VAL A 68 18.925 2.916 -10.575 1.00 0.00 O ATOM 1025 CB VAL A 68 17.650 4.688 -8.280 1.00 0.00 C ATOM 1026 CG1 VAL A 68 17.217 5.989 -8.937 1.00 0.00 C ATOM 1027 CG2 VAL A 68 17.165 4.628 -6.838 1.00 0.00 C ATOM 0 H VAL A 68 18.210 2.124 -7.895 1.00 0.00 H new ATOM 0 HA VAL A 68 16.051 3.590 -9.242 1.00 0.00 H new ATOM 0 HB VAL A 68 18.739 4.650 -8.276 1.00 0.00 H new ATOM 0 HG11 VAL A 68 17.598 6.832 -8.360 1.00 0.00 H new ATOM 0 HG12 VAL A 68 17.614 6.034 -9.951 1.00 0.00 H new ATOM 0 HG13 VAL A 68 16.128 6.035 -8.971 1.00 0.00 H new ATOM 0 HG21 VAL A 68 17.548 5.489 -6.289 1.00 0.00 H new ATOM 0 HG22 VAL A 68 16.075 4.641 -6.820 1.00 0.00 H new ATOM 0 HG23 VAL A 68 17.525 3.711 -6.371 1.00 0.00 H new ATOM 1037 N LEU A 69 17.157 4.005 -11.453 1.00 0.00 N ATOM 1038 CA LEU A 69 17.696 4.044 -12.811 1.00 0.00 C ATOM 1039 C LEU A 69 18.239 5.440 -13.135 1.00 0.00 C ATOM 1040 O LEU A 69 17.528 6.439 -13.003 1.00 0.00 O ATOM 1041 CB LEU A 69 16.597 3.645 -13.810 1.00 0.00 C ATOM 1042 CG LEU A 69 16.831 4.047 -15.271 1.00 0.00 C ATOM 1043 CD1 LEU A 69 18.182 3.550 -15.756 1.00 0.00 C ATOM 1044 CD2 LEU A 69 15.716 3.503 -16.155 1.00 0.00 C ATOM 0 H LEU A 69 16.240 4.441 -11.355 1.00 0.00 H new ATOM 0 HA LEU A 69 18.522 3.337 -12.888 1.00 0.00 H new ATOM 0 HB2 LEU A 69 16.473 2.563 -13.768 1.00 0.00 H new ATOM 0 HB3 LEU A 69 15.657 4.087 -13.480 1.00 0.00 H new ATOM 0 HG LEU A 69 16.825 5.135 -15.332 1.00 0.00 H new ATOM 0 HD11 LEU A 69 18.327 3.846 -16.795 1.00 0.00 H new ATOM 0 HD12 LEU A 69 18.971 3.983 -15.141 1.00 0.00 H new ATOM 0 HD13 LEU A 69 18.219 2.463 -15.680 1.00 0.00 H new ATOM 0 HD21 LEU A 69 15.896 3.796 -17.189 1.00 0.00 H new ATOM 0 HD22 LEU A 69 15.694 2.415 -16.085 1.00 0.00 H new ATOM 0 HD23 LEU A 69 14.759 3.907 -15.824 1.00 0.00 H new ATOM 1056 N THR A 70 19.503 5.510 -13.557 1.00 0.00 N ATOM 1057 CA THR A 70 20.132 6.784 -13.898 1.00 0.00 C ATOM 1058 C THR A 70 20.475 6.818 -15.384 1.00 0.00 C ATOM 1059 O THR A 70 21.140 5.918 -15.891 1.00 0.00 O ATOM 1060 CB THR A 70 21.406 6.984 -13.075 1.00 0.00 C ATOM 1061 OG1 THR A 70 21.217 6.549 -11.740 1.00 0.00 O ATOM 1062 CG2 THR A 70 21.874 8.423 -13.028 1.00 0.00 C ATOM 0 H THR A 70 20.110 4.698 -13.670 1.00 0.00 H new ATOM 0 HA THR A 70 19.431 7.587 -13.671 1.00 0.00 H new ATOM 0 HB THR A 70 22.168 6.390 -13.580 1.00 0.00 H new ATOM 0 HG1 THR A 70 22.044 6.684 -11.232 1.00 0.00 H new ATOM 0 HG21 THR A 70 22.781 8.491 -12.428 1.00 0.00 H new ATOM 0 HG22 THR A 70 22.081 8.771 -14.040 1.00 0.00 H new ATOM 0 HG23 THR A 70 21.097 9.044 -12.582 1.00 0.00 H new ATOM 1070 N SER A 71 20.007 7.843 -16.087 1.00 0.00 N ATOM 1071 CA SER A 71 20.266 7.952 -17.521 1.00 0.00 C ATOM 1072 C SER A 71 20.279 9.407 -17.983 1.00 0.00 C ATOM 1073 O SER A 71 19.624 10.259 -17.384 1.00 0.00 O ATOM 1074 CB SER A 71 19.220 7.154 -18.303 1.00 0.00 C ATOM 1075 OG SER A 71 19.142 7.589 -19.648 1.00 0.00 O ATOM 0 H SER A 71 19.452 8.604 -15.695 1.00 0.00 H new ATOM 0 HA SER A 71 21.255 7.538 -17.716 1.00 0.00 H new ATOM 0 HB2 SER A 71 19.473 6.094 -18.275 1.00 0.00 H new ATOM 0 HB3 SER A 71 18.246 7.262 -17.826 1.00 0.00 H new ATOM 0 HG SER A 71 19.337 6.838 -20.247 1.00 0.00 H new ATOM 1081 N THR A 72 21.006 9.685 -19.069 1.00 0.00 N ATOM 1082 CA THR A 72 21.061 11.035 -19.615 1.00 0.00 C ATOM 1083 C THR A 72 20.032 11.164 -20.736 1.00 0.00 C ATOM 1084 O THR A 72 20.011 10.353 -21.662 1.00 0.00 O ATOM 1085 CB THR A 72 22.468 11.348 -20.137 1.00 0.00 C ATOM 1086 OG1 THR A 72 23.450 10.968 -19.190 1.00 0.00 O ATOM 1087 CG2 THR A 72 22.682 12.814 -20.452 1.00 0.00 C ATOM 0 H THR A 72 21.559 8.997 -19.580 1.00 0.00 H new ATOM 0 HA THR A 72 20.829 11.752 -18.828 1.00 0.00 H new ATOM 0 HB THR A 72 22.564 10.777 -21.061 1.00 0.00 H new ATOM 0 HG1 THR A 72 24.341 11.174 -19.542 1.00 0.00 H new ATOM 0 HG21 THR A 72 23.698 12.963 -20.816 1.00 0.00 H new ATOM 0 HG22 THR A 72 21.972 13.129 -21.217 1.00 0.00 H new ATOM 0 HG23 THR A 72 22.529 13.406 -19.550 1.00 0.00 H new ATOM 1095 N CYS A 73 19.160 12.164 -20.641 1.00 0.00 N ATOM 1096 CA CYS A 73 18.116 12.345 -21.645 1.00 0.00 C ATOM 1097 C CYS A 73 18.093 13.755 -22.219 1.00 0.00 C ATOM 1098 O CYS A 73 18.344 14.735 -21.518 1.00 0.00 O ATOM 1099 CB CYS A 73 16.750 12.027 -21.040 1.00 0.00 C ATOM 1100 SG CYS A 73 16.563 10.305 -20.479 1.00 0.00 S ATOM 0 H CYS A 73 19.154 12.853 -19.889 1.00 0.00 H new ATOM 0 HA CYS A 73 18.340 11.659 -22.462 1.00 0.00 H new ATOM 0 HB2 CYS A 73 16.576 12.693 -20.195 1.00 0.00 H new ATOM 0 HB3 CYS A 73 15.979 12.242 -21.780 1.00 0.00 H new ATOM 1105 N GLU A 74 17.734 13.842 -23.497 1.00 0.00 N ATOM 1106 CA GLU A 74 17.630 15.124 -24.185 1.00 0.00 C ATOM 1107 C GLU A 74 16.368 15.874 -23.763 1.00 0.00 C ATOM 1108 O GLU A 74 15.293 15.284 -23.657 1.00 0.00 O ATOM 1109 CB GLU A 74 17.627 14.919 -25.702 1.00 0.00 C ATOM 1110 CG GLU A 74 17.677 16.218 -26.489 1.00 0.00 C ATOM 1111 CD GLU A 74 16.761 16.207 -27.697 1.00 0.00 C ATOM 1112 OE1 GLU A 74 15.528 16.233 -27.507 1.00 0.00 O ATOM 1113 OE2 GLU A 74 17.278 16.173 -28.834 1.00 0.00 O ATOM 0 H GLU A 74 17.509 13.035 -24.079 1.00 0.00 H new ATOM 0 HA GLU A 74 18.498 15.722 -23.906 1.00 0.00 H new ATOM 0 HB2 GLU A 74 18.482 14.302 -25.979 1.00 0.00 H new ATOM 0 HB3 GLU A 74 16.731 14.367 -25.984 1.00 0.00 H new ATOM 0 HG2 GLU A 74 17.399 17.045 -25.835 1.00 0.00 H new ATOM 0 HG3 GLU A 74 18.701 16.400 -26.816 1.00 0.00 H new ATOM 1120 N ARG A 75 16.501 17.175 -23.533 1.00 0.00 N ATOM 1121 CA ARG A 75 15.365 18.000 -23.135 1.00 0.00 C ATOM 1122 C ARG A 75 14.700 18.610 -24.366 1.00 0.00 C ATOM 1123 O ARG A 75 15.373 18.949 -25.340 1.00 0.00 O ATOM 1124 CB ARG A 75 15.822 19.100 -22.175 1.00 0.00 C ATOM 1125 CG ARG A 75 16.854 18.628 -21.163 1.00 0.00 C ATOM 1126 CD ARG A 75 17.425 19.786 -20.360 1.00 0.00 C ATOM 1127 NE ARG A 75 18.543 20.431 -21.046 1.00 0.00 N ATOM 1128 CZ ARG A 75 19.306 21.374 -20.497 1.00 0.00 C ATOM 1129 NH1 ARG A 75 19.066 21.794 -19.261 1.00 0.00 N ATOM 1130 NH2 ARG A 75 20.310 21.899 -21.185 1.00 0.00 N ATOM 0 H ARG A 75 17.383 17.681 -23.615 1.00 0.00 H new ATOM 0 HA ARG A 75 14.637 17.372 -22.622 1.00 0.00 H new ATOM 0 HB2 ARG A 75 16.241 19.925 -22.752 1.00 0.00 H new ATOM 0 HB3 ARG A 75 14.955 19.491 -21.643 1.00 0.00 H new ATOM 0 HG2 ARG A 75 16.396 17.907 -20.486 1.00 0.00 H new ATOM 0 HG3 ARG A 75 17.662 18.111 -21.681 1.00 0.00 H new ATOM 0 HD2 ARG A 75 16.641 20.520 -20.175 1.00 0.00 H new ATOM 0 HD3 ARG A 75 17.757 19.423 -19.387 1.00 0.00 H new ATOM 0 HE ARG A 75 18.751 20.142 -22.002 1.00 0.00 H new ATOM 0 HH11 ARG A 75 18.294 21.394 -18.727 1.00 0.00 H new ATOM 0 HH12 ARG A 75 19.653 22.517 -18.845 1.00 0.00 H new ATOM 0 HH21 ARG A 75 20.498 21.581 -22.136 1.00 0.00 H new ATOM 0 HH22 ARG A 75 20.894 22.621 -20.764 1.00 0.00 H new ATOM 1144 N THR A 76 13.374 18.730 -24.330 1.00 0.00 N ATOM 1145 CA THR A 76 12.621 19.280 -25.457 1.00 0.00 C ATOM 1146 C THR A 76 13.180 20.627 -25.909 1.00 0.00 C ATOM 1147 O THR A 76 13.043 21.004 -27.073 1.00 0.00 O ATOM 1148 CB THR A 76 11.148 19.437 -25.076 1.00 0.00 C ATOM 1149 OG1 THR A 76 10.658 18.256 -24.467 1.00 0.00 O ATOM 1150 CG2 THR A 76 10.254 19.751 -26.255 1.00 0.00 C ATOM 0 H THR A 76 12.799 18.454 -23.534 1.00 0.00 H new ATOM 0 HA THR A 76 12.715 18.581 -26.288 1.00 0.00 H new ATOM 0 HB THR A 76 11.118 20.279 -24.385 1.00 0.00 H new ATOM 0 HG1 THR A 76 9.715 18.377 -24.229 1.00 0.00 H new ATOM 0 HG21 THR A 76 9.223 19.849 -25.914 1.00 0.00 H new ATOM 0 HG22 THR A 76 10.574 20.685 -26.716 1.00 0.00 H new ATOM 0 HG23 THR A 76 10.319 18.945 -26.986 1.00 0.00 H new ATOM 1158 N ASN A 77 13.806 21.350 -24.988 1.00 0.00 N ATOM 1159 CA ASN A 77 14.379 22.654 -25.306 1.00 0.00 C ATOM 1160 C ASN A 77 15.760 22.516 -25.949 1.00 0.00 C ATOM 1161 O ASN A 77 16.410 23.513 -26.261 1.00 0.00 O ATOM 1162 CB ASN A 77 14.472 23.513 -24.045 1.00 0.00 C ATOM 1163 CG ASN A 77 14.323 24.993 -24.339 1.00 0.00 C ATOM 1164 OD1 ASN A 77 15.238 25.630 -24.860 1.00 0.00 O ATOM 1165 ND2 ASN A 77 13.165 25.549 -24.003 1.00 0.00 N ATOM 0 H ASN A 77 13.930 21.058 -24.019 1.00 0.00 H new ATOM 0 HA ASN A 77 13.720 23.141 -26.025 1.00 0.00 H new ATOM 0 HB2 ASN A 77 13.698 23.206 -23.342 1.00 0.00 H new ATOM 0 HB3 ASN A 77 15.432 23.337 -23.559 1.00 0.00 H new ATOM 0 HD21 ASN A 77 13.007 26.542 -24.175 1.00 0.00 H new ATOM 0 HD22 ASN A 77 12.433 24.983 -23.573 1.00 0.00 H new ATOM 1172 N GLY A 78 16.201 21.277 -26.151 1.00 0.00 N ATOM 1173 CA GLY A 78 17.495 21.038 -26.759 1.00 0.00 C ATOM 1174 C GLY A 78 18.600 20.877 -25.741 1.00 0.00 C ATOM 1175 O GLY A 78 18.679 21.622 -24.765 1.00 0.00 O ATOM 0 H GLY A 78 15.683 20.434 -25.903 1.00 0.00 H new ATOM 0 HA2 GLY A 78 17.441 20.141 -27.375 1.00 0.00 H new ATOM 0 HA3 GLY A 78 17.738 21.867 -27.424 1.00 0.00 H new ATOM 1179 N GLY A 79 19.440 19.886 -25.972 1.00 0.00 N ATOM 1180 CA GLY A 79 20.538 19.605 -25.064 1.00 0.00 C ATOM 1181 C GLY A 79 20.383 18.251 -24.401 1.00 0.00 C ATOM 1182 O GLY A 79 19.567 17.442 -24.841 1.00 0.00 O ATOM 0 H GLY A 79 19.384 19.263 -26.778 1.00 0.00 H new ATOM 0 HA2 GLY A 79 21.480 19.637 -25.611 1.00 0.00 H new ATOM 0 HA3 GLY A 79 20.587 20.381 -24.300 1.00 0.00 H new ATOM 1186 N TYR A 80 21.172 17.996 -23.357 1.00 0.00 N ATOM 1187 CA TYR A 80 21.111 16.717 -22.646 1.00 0.00 C ATOM 1188 C TYR A 80 21.073 16.928 -21.134 1.00 0.00 C ATOM 1189 O TYR A 80 21.723 17.830 -20.603 1.00 0.00 O ATOM 1190 CB TYR A 80 22.314 15.843 -23.007 1.00 0.00 C ATOM 1191 CG TYR A 80 22.622 15.805 -24.486 1.00 0.00 C ATOM 1192 CD1 TYR A 80 21.663 15.399 -25.403 1.00 0.00 C ATOM 1193 CD2 TYR A 80 23.870 16.177 -24.963 1.00 0.00 C ATOM 1194 CE1 TYR A 80 21.939 15.367 -26.755 1.00 0.00 C ATOM 1195 CE2 TYR A 80 24.154 16.148 -26.314 1.00 0.00 C ATOM 1196 CZ TYR A 80 23.185 15.742 -27.206 1.00 0.00 C ATOM 1197 OH TYR A 80 23.463 15.713 -28.552 1.00 0.00 O ATOM 0 H TYR A 80 21.858 18.654 -22.986 1.00 0.00 H new ATOM 0 HA TYR A 80 20.194 16.214 -22.953 1.00 0.00 H new ATOM 0 HB2 TYR A 80 23.190 16.210 -22.473 1.00 0.00 H new ATOM 0 HB3 TYR A 80 22.130 14.827 -22.658 1.00 0.00 H new ATOM 0 HD1 TYR A 80 20.685 15.103 -25.053 1.00 0.00 H new ATOM 0 HD2 TYR A 80 24.632 16.494 -24.267 1.00 0.00 H new ATOM 0 HE1 TYR A 80 21.181 15.049 -27.456 1.00 0.00 H new ATOM 0 HE2 TYR A 80 25.130 16.442 -26.670 1.00 0.00 H new ATOM 0 HH TYR A 80 24.385 16.008 -28.702 1.00 0.00 H new ATOM 1207 N ASN A 81 20.307 16.083 -20.451 1.00 0.00 N ATOM 1208 CA ASN A 81 20.174 16.152 -19.000 1.00 0.00 C ATOM 1209 C ASN A 81 19.803 14.781 -18.441 1.00 0.00 C ATOM 1210 O ASN A 81 18.912 14.111 -18.962 1.00 0.00 O ATOM 1211 CB ASN A 81 19.122 17.190 -18.604 1.00 0.00 C ATOM 1212 CG ASN A 81 19.097 17.445 -17.110 1.00 0.00 C ATOM 1213 OD1 ASN A 81 20.005 18.068 -16.558 1.00 0.00 O ATOM 1214 ND2 ASN A 81 18.053 16.963 -16.446 1.00 0.00 N ATOM 0 H ASN A 81 19.764 15.336 -20.884 1.00 0.00 H new ATOM 0 HA ASN A 81 21.132 16.457 -18.578 1.00 0.00 H new ATOM 0 HB2 ASN A 81 19.323 18.125 -19.126 1.00 0.00 H new ATOM 0 HB3 ASN A 81 18.139 16.849 -18.928 1.00 0.00 H new ATOM 0 HD21 ASN A 81 17.981 17.103 -15.438 1.00 0.00 H new ATOM 0 HD22 ASN A 81 17.323 16.453 -16.944 1.00 0.00 H new ATOM 1221 N THR A 82 20.497 14.364 -17.388 1.00 0.00 N ATOM 1222 CA THR A 82 20.247 13.065 -16.766 1.00 0.00 C ATOM 1223 C THR A 82 19.277 13.179 -15.596 1.00 0.00 C ATOM 1224 O THR A 82 19.407 14.067 -14.752 1.00 0.00 O ATOM 1225 CB THR A 82 21.556 12.421 -16.307 1.00 0.00 C ATOM 1226 OG1 THR A 82 21.301 11.328 -15.442 1.00 0.00 O ATOM 1227 CG2 THR A 82 22.473 13.376 -15.579 1.00 0.00 C ATOM 0 H THR A 82 21.239 14.906 -16.945 1.00 0.00 H new ATOM 0 HA THR A 82 19.788 12.427 -17.521 1.00 0.00 H new ATOM 0 HB THR A 82 22.051 12.096 -17.222 1.00 0.00 H new ATOM 0 HG1 THR A 82 20.586 10.773 -15.818 1.00 0.00 H new ATOM 0 HG21 THR A 82 23.382 12.853 -15.282 1.00 0.00 H new ATOM 0 HG22 THR A 82 22.731 14.206 -16.237 1.00 0.00 H new ATOM 0 HG23 THR A 82 21.969 13.759 -14.692 1.00 0.00 H new ATOM 1235 N SER A 83 18.305 12.271 -15.549 1.00 0.00 N ATOM 1236 CA SER A 83 17.311 12.255 -14.484 1.00 0.00 C ATOM 1237 C SER A 83 17.374 10.930 -13.723 1.00 0.00 C ATOM 1238 O SER A 83 17.864 9.924 -14.245 1.00 0.00 O ATOM 1239 CB SER A 83 15.910 12.459 -15.066 1.00 0.00 C ATOM 1240 OG SER A 83 15.408 11.255 -15.618 1.00 0.00 O ATOM 0 H SER A 83 18.186 11.533 -16.243 1.00 0.00 H new ATOM 0 HA SER A 83 17.527 13.069 -13.792 1.00 0.00 H new ATOM 0 HB2 SER A 83 15.237 12.814 -14.286 1.00 0.00 H new ATOM 0 HB3 SER A 83 15.941 13.231 -15.835 1.00 0.00 H new ATOM 0 HG SER A 83 15.967 10.985 -16.377 1.00 0.00 H new ATOM 1246 N SER A 84 16.882 10.933 -12.488 1.00 0.00 N ATOM 1247 CA SER A 84 16.893 9.730 -11.669 1.00 0.00 C ATOM 1248 C SER A 84 15.483 9.345 -11.242 1.00 0.00 C ATOM 1249 O SER A 84 14.654 10.206 -10.948 1.00 0.00 O ATOM 1250 CB SER A 84 17.768 9.935 -10.433 1.00 0.00 C ATOM 1251 OG SER A 84 19.144 9.856 -10.763 1.00 0.00 O ATOM 0 H SER A 84 16.473 11.751 -12.036 1.00 0.00 H new ATOM 0 HA SER A 84 17.306 8.921 -12.271 1.00 0.00 H new ATOM 0 HB2 SER A 84 17.553 10.907 -9.988 1.00 0.00 H new ATOM 0 HB3 SER A 84 17.527 9.181 -9.684 1.00 0.00 H new ATOM 0 HG SER A 84 19.682 9.992 -9.956 1.00 0.00 H new ATOM 1257 N ILE A 85 15.216 8.043 -11.209 1.00 0.00 N ATOM 1258 CA ILE A 85 13.902 7.549 -10.818 1.00 0.00 C ATOM 1259 C ILE A 85 13.997 6.197 -10.104 1.00 0.00 C ATOM 1260 O ILE A 85 14.839 5.365 -10.444 1.00 0.00 O ATOM 1261 CB ILE A 85 12.977 7.445 -12.049 1.00 0.00 C ATOM 1262 CG1 ILE A 85 11.520 7.251 -11.613 1.00 0.00 C ATOM 1263 CG2 ILE A 85 13.433 6.329 -12.986 1.00 0.00 C ATOM 1264 CD1 ILE A 85 11.158 5.821 -11.275 1.00 0.00 C ATOM 0 H ILE A 85 15.889 7.315 -11.447 1.00 0.00 H new ATOM 0 HA ILE A 85 13.475 8.265 -10.115 1.00 0.00 H new ATOM 0 HB ILE A 85 13.039 8.381 -12.604 1.00 0.00 H new ATOM 0 HG12 ILE A 85 11.327 7.878 -10.743 1.00 0.00 H new ATOM 0 HG13 ILE A 85 10.864 7.601 -12.410 1.00 0.00 H new ATOM 0 HG21 ILE A 85 12.763 6.278 -13.845 1.00 0.00 H new ATOM 0 HG22 ILE A 85 14.447 6.533 -13.329 1.00 0.00 H new ATOM 0 HG23 ILE A 85 13.414 5.377 -12.455 1.00 0.00 H new ATOM 0 HD11 ILE A 85 10.111 5.772 -10.977 1.00 0.00 H new ATOM 0 HD12 ILE A 85 11.316 5.189 -12.149 1.00 0.00 H new ATOM 0 HD13 ILE A 85 11.786 5.471 -10.456 1.00 0.00 H new ATOM 1276 N ASP A 86 13.125 5.985 -9.117 1.00 0.00 N ATOM 1277 CA ASP A 86 13.107 4.734 -8.352 1.00 0.00 C ATOM 1278 C ASP A 86 11.986 3.806 -8.830 1.00 0.00 C ATOM 1279 O ASP A 86 10.814 4.177 -8.808 1.00 0.00 O ATOM 1280 CB ASP A 86 12.926 5.028 -6.862 1.00 0.00 C ATOM 1281 CG ASP A 86 13.119 3.794 -6.004 1.00 0.00 C ATOM 1282 OD1 ASP A 86 12.516 2.749 -6.324 1.00 0.00 O ATOM 1283 OD2 ASP A 86 13.875 3.872 -5.013 1.00 0.00 O ATOM 0 H ASP A 86 12.421 6.663 -8.827 1.00 0.00 H new ATOM 0 HA ASP A 86 14.062 4.233 -8.512 1.00 0.00 H new ATOM 0 HB2 ASP A 86 13.638 5.795 -6.556 1.00 0.00 H new ATOM 0 HB3 ASP A 86 11.928 5.433 -6.693 1.00 0.00 H new ATOM 1288 N LEU A 87 12.355 2.604 -9.267 1.00 0.00 N ATOM 1289 CA LEU A 87 11.370 1.634 -9.762 1.00 0.00 C ATOM 1290 C LEU A 87 11.018 0.559 -8.730 1.00 0.00 C ATOM 1291 O LEU A 87 10.177 -0.298 -8.994 1.00 0.00 O ATOM 1292 CB LEU A 87 11.862 0.978 -11.051 1.00 0.00 C ATOM 1293 CG LEU A 87 12.545 1.927 -12.038 1.00 0.00 C ATOM 1294 CD1 LEU A 87 13.558 1.178 -12.889 1.00 0.00 C ATOM 1295 CD2 LEU A 87 11.510 2.614 -12.917 1.00 0.00 C ATOM 0 H LEU A 87 13.321 2.276 -9.290 1.00 0.00 H new ATOM 0 HA LEU A 87 10.458 2.197 -9.962 1.00 0.00 H new ATOM 0 HB2 LEU A 87 12.560 0.182 -10.793 1.00 0.00 H new ATOM 0 HB3 LEU A 87 11.014 0.508 -11.549 1.00 0.00 H new ATOM 0 HG LEU A 87 13.076 2.691 -11.470 1.00 0.00 H new ATOM 0 HD11 LEU A 87 14.032 1.871 -13.584 1.00 0.00 H new ATOM 0 HD12 LEU A 87 14.317 0.734 -12.245 1.00 0.00 H new ATOM 0 HD13 LEU A 87 13.052 0.392 -13.449 1.00 0.00 H new ATOM 0 HD21 LEU A 87 12.012 3.286 -13.613 1.00 0.00 H new ATOM 0 HD22 LEU A 87 10.951 1.863 -13.476 1.00 0.00 H new ATOM 0 HD23 LEU A 87 10.824 3.186 -12.292 1.00 0.00 H new ATOM 1307 N ASN A 88 11.667 0.579 -7.567 1.00 0.00 N ATOM 1308 CA ASN A 88 11.415 -0.428 -6.531 1.00 0.00 C ATOM 1309 C ASN A 88 9.918 -0.676 -6.322 1.00 0.00 C ATOM 1310 O ASN A 88 9.520 -1.761 -5.902 1.00 0.00 O ATOM 1311 CB ASN A 88 12.049 0.029 -5.211 1.00 0.00 C ATOM 1312 CG ASN A 88 11.800 -0.934 -4.063 1.00 0.00 C ATOM 1313 OD1 ASN A 88 11.868 -2.229 -4.346 1.00 0.00 O flip ATOM 1314 ND2 ASN A 88 11.551 -0.516 -2.932 1.00 0.00 N flip ATOM 0 H ASN A 88 12.368 1.276 -7.317 1.00 0.00 H new ATOM 0 HA ASN A 88 11.862 -1.365 -6.862 1.00 0.00 H new ATOM 0 HB2 ASN A 88 13.123 0.145 -5.353 1.00 0.00 H new ATOM 0 HB3 ASN A 88 11.654 1.010 -4.946 1.00 0.00 H new ATOM 0 HD21 ASN A 88 11.508 0.488 -2.757 1.00 0.00 H new ATOM 0 HD22 ASN A 88 11.388 -1.174 -2.170 1.00 0.00 H new ATOM 1321 N SER A 89 9.095 0.325 -6.614 1.00 0.00 N ATOM 1322 CA SER A 89 7.648 0.197 -6.446 1.00 0.00 C ATOM 1323 C SER A 89 6.983 -0.558 -7.602 1.00 0.00 C ATOM 1324 O SER A 89 6.076 -1.362 -7.383 1.00 0.00 O ATOM 1325 CB SER A 89 7.009 1.580 -6.310 1.00 0.00 C ATOM 1326 OG SER A 89 7.891 2.490 -5.676 1.00 0.00 O ATOM 0 H SER A 89 9.401 1.232 -6.967 1.00 0.00 H new ATOM 0 HA SER A 89 7.488 -0.384 -5.538 1.00 0.00 H new ATOM 0 HB2 SER A 89 6.739 1.958 -7.296 1.00 0.00 H new ATOM 0 HB3 SER A 89 6.086 1.503 -5.735 1.00 0.00 H new ATOM 0 HG SER A 89 7.459 3.367 -5.603 1.00 0.00 H new ATOM 1332 N VAL A 90 7.401 -0.265 -8.832 1.00 0.00 N ATOM 1333 CA VAL A 90 6.804 -0.894 -10.010 1.00 0.00 C ATOM 1334 C VAL A 90 7.198 -2.363 -10.183 1.00 0.00 C ATOM 1335 O VAL A 90 6.333 -3.219 -10.372 1.00 0.00 O ATOM 1336 CB VAL A 90 7.137 -0.113 -11.303 1.00 0.00 C ATOM 1337 CG1 VAL A 90 6.891 1.371 -11.103 1.00 0.00 C ATOM 1338 CG2 VAL A 90 8.573 -0.353 -11.749 1.00 0.00 C ATOM 0 H VAL A 90 8.146 0.400 -9.039 1.00 0.00 H new ATOM 0 HA VAL A 90 5.729 -0.864 -9.835 1.00 0.00 H new ATOM 0 HB VAL A 90 6.478 -0.481 -12.089 1.00 0.00 H new ATOM 0 HG11 VAL A 90 7.130 1.907 -12.022 1.00 0.00 H new ATOM 0 HG12 VAL A 90 5.844 1.535 -10.849 1.00 0.00 H new ATOM 0 HG13 VAL A 90 7.522 1.739 -10.294 1.00 0.00 H new ATOM 0 HG21 VAL A 90 8.770 0.212 -12.660 1.00 0.00 H new ATOM 0 HG22 VAL A 90 9.257 -0.027 -10.965 1.00 0.00 H new ATOM 0 HG23 VAL A 90 8.721 -1.416 -11.941 1.00 0.00 H new ATOM 1348 N ILE A 91 8.492 -2.654 -10.145 1.00 0.00 N ATOM 1349 CA ILE A 91 8.962 -4.023 -10.322 1.00 0.00 C ATOM 1350 C ILE A 91 8.861 -4.819 -9.020 1.00 0.00 C ATOM 1351 O ILE A 91 8.995 -4.268 -7.927 1.00 0.00 O ATOM 1352 CB ILE A 91 10.409 -4.056 -10.876 1.00 0.00 C ATOM 1353 CG1 ILE A 91 10.454 -3.430 -12.280 1.00 0.00 C ATOM 1354 CG2 ILE A 91 10.947 -5.480 -10.911 1.00 0.00 C ATOM 1355 CD1 ILE A 91 11.291 -2.169 -12.354 1.00 0.00 C ATOM 0 H ILE A 91 9.230 -1.967 -9.994 1.00 0.00 H new ATOM 0 HA ILE A 91 8.311 -4.497 -11.057 1.00 0.00 H new ATOM 0 HB ILE A 91 11.044 -3.472 -10.210 1.00 0.00 H new ATOM 0 HG12 ILE A 91 10.852 -4.162 -12.983 1.00 0.00 H new ATOM 0 HG13 ILE A 91 9.437 -3.201 -12.600 1.00 0.00 H new ATOM 0 HG21 ILE A 91 11.964 -5.475 -11.304 1.00 0.00 H new ATOM 0 HG22 ILE A 91 10.950 -5.893 -9.902 1.00 0.00 H new ATOM 0 HG23 ILE A 91 10.313 -6.093 -11.552 1.00 0.00 H new ATOM 0 HD11 ILE A 91 11.277 -1.783 -13.373 1.00 0.00 H new ATOM 0 HD12 ILE A 91 10.881 -1.420 -11.676 1.00 0.00 H new ATOM 0 HD13 ILE A 91 12.317 -2.396 -12.066 1.00 0.00 H new ATOM 1367 N GLU A 92 8.598 -6.119 -9.152 1.00 0.00 N ATOM 1368 CA GLU A 92 8.444 -7.007 -8.003 1.00 0.00 C ATOM 1369 C GLU A 92 9.139 -8.338 -8.276 1.00 0.00 C ATOM 1370 O GLU A 92 9.513 -8.618 -9.414 1.00 0.00 O ATOM 1371 CB GLU A 92 6.953 -7.248 -7.741 1.00 0.00 C ATOM 1372 CG GLU A 92 6.620 -7.535 -6.284 1.00 0.00 C ATOM 1373 CD GLU A 92 5.282 -6.956 -5.867 1.00 0.00 C ATOM 1374 OE1 GLU A 92 4.859 -5.945 -6.466 1.00 0.00 O ATOM 1375 OE2 GLU A 92 4.657 -7.515 -4.941 1.00 0.00 O ATOM 0 H GLU A 92 8.486 -6.583 -10.054 1.00 0.00 H new ATOM 0 HA GLU A 92 8.898 -6.543 -7.127 1.00 0.00 H new ATOM 0 HB2 GLU A 92 6.391 -6.372 -8.066 1.00 0.00 H new ATOM 0 HB3 GLU A 92 6.618 -8.086 -8.352 1.00 0.00 H new ATOM 0 HG2 GLU A 92 6.611 -8.613 -6.123 1.00 0.00 H new ATOM 0 HG3 GLU A 92 7.404 -7.124 -5.648 1.00 0.00 H new ATOM 1382 N ASN A 93 9.329 -9.159 -7.242 1.00 0.00 N ATOM 1383 CA ASN A 93 9.995 -10.447 -7.418 1.00 0.00 C ATOM 1384 C ASN A 93 8.995 -11.596 -7.306 1.00 0.00 C ATOM 1385 O ASN A 93 8.629 -12.018 -6.209 1.00 0.00 O ATOM 1386 CB ASN A 93 11.104 -10.616 -6.376 1.00 0.00 C ATOM 1387 CG ASN A 93 11.824 -11.947 -6.496 1.00 0.00 C ATOM 1388 OD1 ASN A 93 11.948 -12.505 -7.587 1.00 0.00 O ATOM 1389 ND2 ASN A 93 12.306 -12.460 -5.370 1.00 0.00 N ATOM 0 H ASN A 93 9.035 -8.958 -6.286 1.00 0.00 H new ATOM 0 HA ASN A 93 10.435 -10.469 -8.415 1.00 0.00 H new ATOM 0 HB2 ASN A 93 11.826 -9.806 -6.485 1.00 0.00 H new ATOM 0 HB3 ASN A 93 10.675 -10.528 -5.378 1.00 0.00 H new ATOM 0 HD21 ASN A 93 12.802 -13.351 -5.387 1.00 0.00 H new ATOM 0 HD22 ASN A 93 12.180 -11.963 -4.488 1.00 0.00 H new ATOM 1396 N VAL A 94 8.579 -12.102 -8.459 1.00 0.00 N ATOM 1397 CA VAL A 94 7.637 -13.214 -8.521 1.00 0.00 C ATOM 1398 C VAL A 94 8.362 -14.537 -8.752 1.00 0.00 C ATOM 1399 O VAL A 94 8.679 -14.885 -9.889 1.00 0.00 O ATOM 1400 CB VAL A 94 6.593 -13.005 -9.633 1.00 0.00 C ATOM 1401 CG1 VAL A 94 5.541 -14.105 -9.596 1.00 0.00 C ATOM 1402 CG2 VAL A 94 5.945 -11.635 -9.500 1.00 0.00 C ATOM 0 H VAL A 94 8.881 -11.758 -9.371 1.00 0.00 H new ATOM 0 HA VAL A 94 7.125 -13.250 -7.559 1.00 0.00 H new ATOM 0 HB VAL A 94 7.100 -13.054 -10.597 1.00 0.00 H new ATOM 0 HG11 VAL A 94 4.813 -13.939 -10.390 1.00 0.00 H new ATOM 0 HG12 VAL A 94 6.021 -15.073 -9.741 1.00 0.00 H new ATOM 0 HG13 VAL A 94 5.035 -14.092 -8.631 1.00 0.00 H new ATOM 0 HG21 VAL A 94 5.209 -11.502 -10.293 1.00 0.00 H new ATOM 0 HG22 VAL A 94 5.452 -11.558 -8.531 1.00 0.00 H new ATOM 0 HG23 VAL A 94 6.709 -10.862 -9.580 1.00 0.00 H new ATOM 1412 N ASP A 95 8.618 -15.279 -7.678 1.00 0.00 N ATOM 1413 CA ASP A 95 9.299 -16.569 -7.779 1.00 0.00 C ATOM 1414 C ASP A 95 10.625 -16.454 -8.528 1.00 0.00 C ATOM 1415 O ASP A 95 11.032 -17.384 -9.223 1.00 0.00 O ATOM 1416 CB ASP A 95 8.397 -17.589 -8.475 1.00 0.00 C ATOM 1417 CG ASP A 95 8.812 -19.019 -8.185 1.00 0.00 C ATOM 1418 OD1 ASP A 95 9.433 -19.254 -7.127 1.00 0.00 O ATOM 1419 OD2 ASP A 95 8.516 -19.903 -9.015 1.00 0.00 O ATOM 0 H ASP A 95 8.365 -15.010 -6.727 1.00 0.00 H new ATOM 0 HA ASP A 95 9.516 -16.905 -6.765 1.00 0.00 H new ATOM 0 HB2 ASP A 95 7.367 -17.440 -8.152 1.00 0.00 H new ATOM 0 HB3 ASP A 95 8.421 -17.417 -9.551 1.00 0.00 H new ATOM 1424 N GLY A 96 11.297 -15.315 -8.382 1.00 0.00 N ATOM 1425 CA GLY A 96 12.578 -15.119 -9.049 1.00 0.00 C ATOM 1426 C GLY A 96 12.450 -14.448 -10.405 1.00 0.00 C ATOM 1427 O GLY A 96 13.274 -14.671 -11.292 1.00 0.00 O ATOM 0 H GLY A 96 10.981 -14.526 -7.817 1.00 0.00 H new ATOM 0 HA2 GLY A 96 13.224 -14.515 -8.411 1.00 0.00 H new ATOM 0 HA3 GLY A 96 13.067 -16.085 -9.174 1.00 0.00 H new ATOM 1431 N SER A 97 11.412 -13.632 -10.572 1.00 0.00 N ATOM 1432 CA SER A 97 11.188 -12.940 -11.838 1.00 0.00 C ATOM 1433 C SER A 97 10.682 -11.517 -11.611 1.00 0.00 C ATOM 1434 O SER A 97 9.802 -11.284 -10.781 1.00 0.00 O ATOM 1435 CB SER A 97 10.185 -13.717 -12.690 1.00 0.00 C ATOM 1436 OG SER A 97 10.843 -14.659 -13.519 1.00 0.00 O ATOM 0 H SER A 97 10.717 -13.435 -9.852 1.00 0.00 H new ATOM 0 HA SER A 97 12.142 -12.882 -12.362 1.00 0.00 H new ATOM 0 HB2 SER A 97 9.474 -14.231 -12.043 1.00 0.00 H new ATOM 0 HB3 SER A 97 9.612 -13.024 -13.306 1.00 0.00 H new ATOM 0 HG SER A 97 10.180 -15.144 -14.053 1.00 0.00 H new ATOM 1442 N LEU A 98 11.248 -10.569 -12.354 1.00 0.00 N ATOM 1443 CA LEU A 98 10.861 -9.167 -12.234 1.00 0.00 C ATOM 1444 C LEU A 98 9.502 -8.906 -12.879 1.00 0.00 C ATOM 1445 O LEU A 98 9.320 -9.116 -14.078 1.00 0.00 O ATOM 1446 CB LEU A 98 11.914 -8.261 -12.880 1.00 0.00 C ATOM 1447 CG LEU A 98 13.361 -8.547 -12.478 1.00 0.00 C ATOM 1448 CD1 LEU A 98 14.295 -7.530 -13.114 1.00 0.00 C ATOM 1449 CD2 LEU A 98 13.508 -8.534 -10.964 1.00 0.00 C ATOM 0 H LEU A 98 11.976 -10.747 -13.046 1.00 0.00 H new ATOM 0 HA LEU A 98 10.789 -8.939 -11.170 1.00 0.00 H new ATOM 0 HB2 LEU A 98 11.831 -8.351 -13.963 1.00 0.00 H new ATOM 0 HB3 LEU A 98 11.682 -7.226 -12.628 1.00 0.00 H new ATOM 0 HG LEU A 98 13.631 -9.540 -12.838 1.00 0.00 H new ATOM 0 HD11 LEU A 98 15.322 -7.745 -12.819 1.00 0.00 H new ATOM 0 HD12 LEU A 98 14.209 -7.586 -14.199 1.00 0.00 H new ATOM 0 HD13 LEU A 98 14.024 -6.528 -12.780 1.00 0.00 H new ATOM 0 HD21 LEU A 98 14.545 -8.740 -10.697 1.00 0.00 H new ATOM 0 HD22 LEU A 98 13.221 -7.555 -10.579 1.00 0.00 H new ATOM 0 HD23 LEU A 98 12.863 -9.298 -10.529 1.00 0.00 H new ATOM 1461 N LYS A 99 8.554 -8.448 -12.069 1.00 0.00 N ATOM 1462 CA LYS A 99 7.203 -8.149 -12.539 1.00 0.00 C ATOM 1463 C LYS A 99 6.777 -6.725 -12.207 1.00 0.00 C ATOM 1464 O LYS A 99 6.972 -6.246 -11.092 1.00 0.00 O ATOM 1465 CB LYS A 99 6.190 -9.131 -11.944 1.00 0.00 C ATOM 1466 CG LYS A 99 6.070 -10.446 -12.704 1.00 0.00 C ATOM 1467 CD LYS A 99 7.318 -11.305 -12.609 1.00 0.00 C ATOM 1468 CE LYS A 99 7.030 -12.727 -13.067 1.00 0.00 C ATOM 1469 NZ LYS A 99 7.435 -12.952 -14.483 1.00 0.00 N ATOM 0 H LYS A 99 8.697 -8.274 -11.074 1.00 0.00 H new ATOM 0 HA LYS A 99 7.223 -8.253 -13.624 1.00 0.00 H new ATOM 0 HB2 LYS A 99 6.472 -9.345 -10.913 1.00 0.00 H new ATOM 0 HB3 LYS A 99 5.212 -8.652 -11.914 1.00 0.00 H new ATOM 0 HG2 LYS A 99 5.220 -11.007 -12.316 1.00 0.00 H new ATOM 0 HG3 LYS A 99 5.860 -10.235 -13.753 1.00 0.00 H new ATOM 0 HD2 LYS A 99 8.109 -10.874 -13.222 1.00 0.00 H new ATOM 0 HD3 LYS A 99 7.681 -11.315 -11.581 1.00 0.00 H new ATOM 0 HE2 LYS A 99 7.559 -13.429 -12.423 1.00 0.00 H new ATOM 0 HE3 LYS A 99 5.966 -12.934 -12.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 7.820 -13.913 -14.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 6.607 -12.843 -15.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 8.162 -12.258 -14.751 1.00 0.00 H new ATOM 1483 N TYR A 100 6.171 -6.065 -13.190 1.00 0.00 N ATOM 1484 CA TYR A 100 5.681 -4.704 -13.022 1.00 0.00 C ATOM 1485 C TYR A 100 4.316 -4.730 -12.346 1.00 0.00 C ATOM 1486 O TYR A 100 3.529 -5.650 -12.564 1.00 0.00 O ATOM 1487 CB TYR A 100 5.573 -4.006 -14.381 1.00 0.00 C ATOM 1488 CG TYR A 100 5.368 -2.509 -14.286 1.00 0.00 C ATOM 1489 CD1 TYR A 100 4.176 -1.980 -13.809 1.00 0.00 C ATOM 1490 CD2 TYR A 100 6.369 -1.626 -14.674 1.00 0.00 C ATOM 1491 CE1 TYR A 100 3.987 -0.614 -13.719 1.00 0.00 C ATOM 1492 CE2 TYR A 100 6.188 -0.259 -14.586 1.00 0.00 C ATOM 1493 CZ TYR A 100 4.995 0.242 -14.108 1.00 0.00 C ATOM 1494 OH TYR A 100 4.810 1.602 -14.019 1.00 0.00 O ATOM 0 H TYR A 100 6.008 -6.456 -14.118 1.00 0.00 H new ATOM 0 HA TYR A 100 6.384 -4.151 -12.399 1.00 0.00 H new ATOM 0 HB2 TYR A 100 6.480 -4.203 -14.953 1.00 0.00 H new ATOM 0 HB3 TYR A 100 4.744 -4.442 -14.938 1.00 0.00 H new ATOM 0 HD1 TYR A 100 3.384 -2.647 -13.503 1.00 0.00 H new ATOM 0 HD2 TYR A 100 7.304 -2.015 -15.050 1.00 0.00 H new ATOM 0 HE1 TYR A 100 3.054 -0.219 -13.346 1.00 0.00 H new ATOM 0 HE2 TYR A 100 6.976 0.414 -14.890 1.00 0.00 H new ATOM 0 HH TYR A 100 5.610 2.063 -14.347 1.00 0.00 H new ATOM 1504 N GLU A 101 4.034 -3.725 -11.527 1.00 0.00 N ATOM 1505 CA GLU A 101 2.754 -3.656 -10.832 1.00 0.00 C ATOM 1506 C GLU A 101 2.083 -2.306 -11.052 1.00 0.00 C ATOM 1507 O GLU A 101 2.761 -1.272 -10.870 1.00 0.00 O ATOM 1508 CB GLU A 101 2.947 -3.911 -9.336 1.00 0.00 C ATOM 1509 CG GLU A 101 1.659 -4.263 -8.611 1.00 0.00 C ATOM 1510 CD GLU A 101 1.081 -3.089 -7.845 1.00 0.00 C ATOM 1511 OE1 GLU A 101 1.038 -1.976 -8.410 1.00 0.00 O ATOM 1512 OE2 GLU A 101 0.673 -3.283 -6.681 1.00 0.00 O ATOM 1513 OXT GLU A 101 0.885 -2.293 -11.404 1.00 0.00 O ATOM 0 H GLU A 101 4.669 -2.952 -11.328 1.00 0.00 H new ATOM 0 HA GLU A 101 2.105 -4.430 -11.243 1.00 0.00 H new ATOM 0 HB2 GLU A 101 3.663 -4.722 -9.203 1.00 0.00 H new ATOM 0 HB3 GLU A 101 3.382 -3.023 -8.877 1.00 0.00 H new ATOM 0 HG2 GLU A 101 0.924 -4.617 -9.334 1.00 0.00 H new ATOM 0 HG3 GLU A 101 1.848 -5.085 -7.920 1.00 0.00 H new TER 1520 GLU A 101