USER MOD reduce.3.24.130724 H: found=0, std=0, add=672, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 576 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 98 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 68 HIS : no HE2:sc= -3.7! C(o=-3.8!,f=-4.9!) USER MOD Set 2.2: A 69 THR OG1 : rot 180:sc= -0.128 USER MOD Set 3.1: A 65 ASN : amide:sc= 1.07 K(o=2.2,f=-1.4) USER MOD Set 3.2: A 71 THR OG1 : rot -136:sc= 1.12 USER MOD Set 4.1: A 4 ASN : amide:sc= 0 X(o=-3.6,f=-3.6) USER MOD Set 4.2: A 7 ASN : amide:sc= -3.55! C(o=-3.6!,f=-5.4!) USER MOD Set 4.3: A 89 ASN : amide:sc=-0.00364 X(o=-3.6,f=-3.4) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 1.07 K(o=1.1,f=-7.2!) USER MOD Single : A 29 HIS : no HD1:sc= -0.0223 X(o=-0.022,f=0) USER MOD Single : A 31 HIS : no HE2:sc= 1.18 K(o=1.2,f=-3.5!) USER MOD Single : A 33 THR OG1 : rot 100:sc= -0.0206 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN :FLIP amide:sc= -1.74! C(o=-5.3!,f=-1.7!) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=-0.07) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -0.49 K(o=-0.49,f=-5.6!) USER MOD Single : A 45 ASN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 164:sc= -0.0764 (180deg=-0.354) USER MOD Single : A 62 THR OG1 : rot 40:sc= 0.0308 USER MOD Single : A 73 SER OG : rot -150:sc= -0.343! USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc=-0.00167 K(o=-0.0017,f=-0.83) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 HIS : no HE2:sc= 0.76 K(o=0.76,f=-2.7!) USER MOD Single : A 84 SER OG : rot -90:sc= -2.11! USER MOD Single : A 85 SER OG : rot 180:sc=-0.00943 USER MOD Single : A 86 MET CE :methyl 178:sc= -4.77! (180deg=-4.79!) USER MOD Single : A 90 TYR OH : rot -11:sc= 0.336 USER MOD Single : A 94 ASN : amide:sc= -1.34! K(o=-1.3!,f=-3.6) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 33 N CYS A 3 11.294 -3.934 -1.388 1.00 0.00 N ATOM 34 CA CYS A 3 10.444 -4.807 -0.604 1.00 0.00 C ATOM 35 C CYS A 3 9.735 -5.811 -1.508 1.00 0.00 C ATOM 36 O CYS A 3 9.777 -7.016 -1.253 1.00 0.00 O ATOM 37 CB CYS A 3 9.451 -3.963 0.181 1.00 0.00 C ATOM 38 SG CYS A 3 10.241 -2.815 1.357 1.00 0.00 S ATOM 0 HA CYS A 3 11.050 -5.377 0.101 1.00 0.00 H new ATOM 0 HB2 CYS A 3 8.840 -3.391 -0.518 1.00 0.00 H new ATOM 0 HB3 CYS A 3 8.777 -4.623 0.727 1.00 0.00 H new ATOM 42 N ASN A 4 9.100 -5.303 -2.566 1.00 0.00 N ATOM 43 CA ASN A 4 8.410 -6.138 -3.554 1.00 0.00 C ATOM 44 C ASN A 4 7.405 -7.090 -2.901 1.00 0.00 C ATOM 45 O ASN A 4 7.581 -8.307 -2.940 1.00 0.00 O ATOM 46 CB ASN A 4 9.422 -6.965 -4.360 1.00 0.00 C ATOM 47 CG ASN A 4 10.605 -6.165 -4.883 1.00 0.00 C ATOM 48 OD1 ASN A 4 10.504 -4.971 -5.153 1.00 0.00 O ATOM 49 ND2 ASN A 4 11.742 -6.829 -5.027 1.00 0.00 N ATOM 0 H ASN A 4 9.049 -4.303 -2.763 1.00 0.00 H new ATOM 0 HA ASN A 4 7.868 -5.461 -4.214 1.00 0.00 H new ATOM 0 HB2 ASN A 4 9.794 -7.775 -3.733 1.00 0.00 H new ATOM 0 HB3 ASN A 4 8.908 -7.426 -5.204 1.00 0.00 H new ATOM 0 HD21 ASN A 4 12.573 -6.349 -5.373 1.00 0.00 H new ATOM 0 HD22 ASN A 4 11.787 -7.821 -4.792 1.00 0.00 H new ATOM 55 N PHE A 5 6.345 -6.540 -2.314 1.00 0.00 N ATOM 56 CA PHE A 5 5.331 -7.364 -1.659 1.00 0.00 C ATOM 57 C PHE A 5 4.656 -8.306 -2.661 1.00 0.00 C ATOM 58 O PHE A 5 4.405 -9.472 -2.369 1.00 0.00 O ATOM 59 CB PHE A 5 4.276 -6.490 -0.970 1.00 0.00 C ATOM 60 CG PHE A 5 3.254 -5.896 -1.896 1.00 0.00 C ATOM 61 CD1 PHE A 5 3.579 -4.852 -2.747 1.00 0.00 C ATOM 62 CD2 PHE A 5 1.961 -6.395 -1.915 1.00 0.00 C ATOM 63 CE1 PHE A 5 2.632 -4.317 -3.598 1.00 0.00 C ATOM 64 CE2 PHE A 5 1.012 -5.865 -2.761 1.00 0.00 C ATOM 65 CZ PHE A 5 1.345 -4.824 -3.604 1.00 0.00 C ATOM 0 H PHE A 5 6.166 -5.536 -2.278 1.00 0.00 H new ATOM 0 HA PHE A 5 5.835 -7.965 -0.902 1.00 0.00 H new ATOM 0 HB2 PHE A 5 3.761 -7.089 -0.219 1.00 0.00 H new ATOM 0 HB3 PHE A 5 4.782 -5.682 -0.442 1.00 0.00 H new ATOM 0 HD1 PHE A 5 4.583 -4.453 -2.745 1.00 0.00 H new ATOM 0 HD2 PHE A 5 1.694 -7.210 -1.258 1.00 0.00 H new ATOM 0 HE1 PHE A 5 2.896 -3.504 -4.258 1.00 0.00 H new ATOM 0 HE2 PHE A 5 0.008 -6.264 -2.765 1.00 0.00 H new ATOM 0 HZ PHE A 5 0.602 -4.406 -4.267 1.00 0.00 H new ATOM 74 N ALA A 6 4.411 -7.790 -3.859 1.00 0.00 N ATOM 75 CA ALA A 6 3.740 -8.536 -4.915 1.00 0.00 C ATOM 76 C ALA A 6 4.617 -9.630 -5.502 1.00 0.00 C ATOM 77 O ALA A 6 4.113 -10.603 -6.053 1.00 0.00 O ATOM 78 CB ALA A 6 3.311 -7.580 -6.010 1.00 0.00 C ATOM 0 H ALA A 6 4.673 -6.841 -4.126 1.00 0.00 H new ATOM 0 HA ALA A 6 2.871 -9.023 -4.473 1.00 0.00 H new ATOM 0 HB1 ALA A 6 2.808 -8.136 -6.802 1.00 0.00 H new ATOM 0 HB2 ALA A 6 2.628 -6.838 -5.598 1.00 0.00 H new ATOM 0 HB3 ALA A 6 4.188 -7.078 -6.419 1.00 0.00 H new ATOM 84 N ASN A 7 5.925 -9.488 -5.360 1.00 0.00 N ATOM 85 CA ASN A 7 6.859 -10.467 -5.909 1.00 0.00 C ATOM 86 C ASN A 7 6.821 -11.769 -5.123 1.00 0.00 C ATOM 87 O ASN A 7 7.452 -12.757 -5.502 1.00 0.00 O ATOM 88 CB ASN A 7 8.280 -9.909 -5.924 1.00 0.00 C ATOM 89 CG ASN A 7 8.460 -8.769 -6.913 1.00 0.00 C ATOM 90 OD1 ASN A 7 7.522 -8.025 -7.209 1.00 0.00 O ATOM 91 ND2 ASN A 7 9.670 -8.615 -7.425 1.00 0.00 N ATOM 0 H ASN A 7 6.366 -8.709 -4.872 1.00 0.00 H new ATOM 0 HA ASN A 7 6.550 -10.676 -6.933 1.00 0.00 H new ATOM 0 HB2 ASN A 7 8.538 -9.559 -4.924 1.00 0.00 H new ATOM 0 HB3 ASN A 7 8.976 -10.710 -6.171 1.00 0.00 H new ATOM 0 HD21 ASN A 7 9.851 -7.861 -8.088 1.00 0.00 H new ATOM 0 HD22 ASN A 7 10.422 -9.250 -7.157 1.00 0.00 H new ATOM 97 N SER A 8 6.092 -11.765 -4.021 1.00 0.00 N ATOM 98 CA SER A 8 5.960 -12.946 -3.191 1.00 0.00 C ATOM 99 C SER A 8 4.519 -13.099 -2.720 1.00 0.00 C ATOM 100 O SER A 8 4.232 -13.868 -1.802 1.00 0.00 O ATOM 101 CB SER A 8 6.908 -12.855 -1.995 1.00 0.00 C ATOM 102 OG SER A 8 8.246 -12.665 -2.421 1.00 0.00 O ATOM 0 H SER A 8 5.580 -10.951 -3.680 1.00 0.00 H new ATOM 0 HA SER A 8 6.226 -13.824 -3.780 1.00 0.00 H new ATOM 0 HB2 SER A 8 6.607 -12.029 -1.350 1.00 0.00 H new ATOM 0 HB3 SER A 8 6.838 -13.766 -1.401 1.00 0.00 H new ATOM 0 HG SER A 8 8.833 -12.608 -1.639 1.00 0.00 H new ATOM 107 N CYS A 9 3.614 -12.375 -3.369 1.00 0.00 N ATOM 108 CA CYS A 9 2.201 -12.424 -3.011 1.00 0.00 C ATOM 109 C CYS A 9 1.338 -12.725 -4.225 1.00 0.00 C ATOM 110 O CYS A 9 1.594 -12.235 -5.324 1.00 0.00 O ATOM 111 CB CYS A 9 1.740 -11.109 -2.369 1.00 0.00 C ATOM 112 SG CYS A 9 1.208 -11.282 -0.632 1.00 0.00 S ATOM 0 H CYS A 9 3.833 -11.749 -4.144 1.00 0.00 H new ATOM 0 HA CYS A 9 2.084 -13.228 -2.284 1.00 0.00 H new ATOM 0 HB2 CYS A 9 2.554 -10.386 -2.419 1.00 0.00 H new ATOM 0 HB3 CYS A 9 0.915 -10.701 -2.953 1.00 0.00 H new ATOM 116 N THR A 10 0.320 -13.541 -4.013 1.00 0.00 N ATOM 117 CA THR A 10 -0.600 -13.915 -5.068 1.00 0.00 C ATOM 118 C THR A 10 -2.037 -13.866 -4.567 1.00 0.00 C ATOM 119 O THR A 10 -2.294 -14.101 -3.385 1.00 0.00 O ATOM 120 CB THR A 10 -0.292 -15.329 -5.597 1.00 0.00 C ATOM 121 OG1 THR A 10 -0.096 -16.234 -4.498 1.00 0.00 O ATOM 122 CG2 THR A 10 0.942 -15.318 -6.479 1.00 0.00 C ATOM 0 H THR A 10 0.110 -13.961 -3.107 1.00 0.00 H new ATOM 0 HA THR A 10 -0.476 -13.200 -5.881 1.00 0.00 H new ATOM 0 HB THR A 10 -1.141 -15.663 -6.193 1.00 0.00 H new ATOM 0 HG1 THR A 10 0.098 -17.131 -4.843 1.00 0.00 H new ATOM 0 HG21 THR A 10 1.140 -16.327 -6.841 1.00 0.00 H new ATOM 0 HG22 THR A 10 0.777 -14.654 -7.328 1.00 0.00 H new ATOM 0 HG23 THR A 10 1.798 -14.965 -5.903 1.00 0.00 H new ATOM 130 N GLY A 11 -2.960 -13.545 -5.462 1.00 0.00 N ATOM 131 CA GLY A 11 -4.364 -13.476 -5.096 1.00 0.00 C ATOM 132 C GLY A 11 -4.666 -12.303 -4.186 1.00 0.00 C ATOM 133 O GLY A 11 -5.326 -12.455 -3.162 1.00 0.00 O ATOM 0 H GLY A 11 -2.763 -13.330 -6.439 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -4.969 -13.397 -5.999 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -4.653 -14.402 -4.599 1.00 0.00 H new ATOM 137 N VAL A 12 -4.174 -11.131 -4.556 1.00 0.00 N ATOM 138 CA VAL A 12 -4.392 -9.931 -3.762 1.00 0.00 C ATOM 139 C VAL A 12 -5.668 -9.211 -4.187 1.00 0.00 C ATOM 140 O VAL A 12 -6.024 -9.193 -5.368 1.00 0.00 O ATOM 141 CB VAL A 12 -3.193 -8.959 -3.860 1.00 0.00 C ATOM 142 CG1 VAL A 12 -1.956 -9.565 -3.210 1.00 0.00 C ATOM 143 CG2 VAL A 12 -2.912 -8.596 -5.311 1.00 0.00 C ATOM 0 H VAL A 12 -3.621 -10.985 -5.401 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.495 -10.253 -2.726 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.450 -8.046 -3.323 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.124 -8.866 -3.290 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.160 -9.768 -2.159 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.698 -10.495 -3.716 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.065 -7.911 -5.357 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.679 -9.500 -5.874 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.790 -8.116 -5.743 1.00 0.00 H new ATOM 153 N GLU A 13 -6.368 -8.641 -3.220 1.00 0.00 N ATOM 154 CA GLU A 13 -7.597 -7.909 -3.486 1.00 0.00 C ATOM 155 C GLU A 13 -7.679 -6.680 -2.589 1.00 0.00 C ATOM 156 O GLU A 13 -7.212 -6.711 -1.448 1.00 0.00 O ATOM 157 CB GLU A 13 -8.814 -8.812 -3.264 1.00 0.00 C ATOM 158 CG GLU A 13 -10.135 -8.157 -3.639 1.00 0.00 C ATOM 159 CD GLU A 13 -10.196 -7.769 -5.102 1.00 0.00 C ATOM 160 OE1 GLU A 13 -9.454 -6.853 -5.514 1.00 0.00 O ATOM 161 OE2 GLU A 13 -10.982 -8.384 -5.853 1.00 0.00 O ATOM 0 H GLU A 13 -6.104 -8.672 -2.235 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.593 -7.584 -4.526 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -8.691 -9.724 -3.849 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -8.850 -9.108 -2.216 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -10.953 -8.841 -3.414 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -10.284 -7.269 -3.025 1.00 0.00 H new ATOM 166 N LEU A 14 -8.267 -5.606 -3.106 1.00 0.00 N ATOM 167 CA LEU A 14 -8.397 -4.365 -2.355 1.00 0.00 C ATOM 168 C LEU A 14 -9.841 -3.885 -2.321 1.00 0.00 C ATOM 169 O LEU A 14 -10.465 -3.685 -3.363 1.00 0.00 O ATOM 170 CB LEU A 14 -7.509 -3.276 -2.964 1.00 0.00 C ATOM 171 CG LEU A 14 -7.651 -1.883 -2.336 1.00 0.00 C ATOM 172 CD1 LEU A 14 -7.353 -1.921 -0.850 1.00 0.00 C ATOM 173 CD2 LEU A 14 -6.731 -0.905 -3.022 1.00 0.00 C ATOM 0 H LEU A 14 -8.662 -5.572 -4.046 1.00 0.00 H new ATOM 0 HA LEU A 14 -8.076 -4.565 -1.333 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.469 -3.590 -2.879 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -7.733 -3.201 -4.028 1.00 0.00 H new ATOM 0 HG LEU A 14 -8.683 -1.557 -2.469 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.461 -0.920 -0.431 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -8.050 -2.598 -0.356 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.333 -2.272 -0.692 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.842 0.079 -2.567 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.699 -1.240 -2.916 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.986 -0.846 -4.080 1.00 0.00 H new ATOM 184 N TYR A 15 -10.364 -3.705 -1.118 1.00 0.00 N ATOM 185 CA TYR A 15 -11.720 -3.217 -0.942 1.00 0.00 C ATOM 186 C TYR A 15 -11.734 -2.101 0.095 1.00 0.00 C ATOM 187 O TYR A 15 -11.454 -2.331 1.274 1.00 0.00 O ATOM 188 CB TYR A 15 -12.665 -4.347 -0.518 1.00 0.00 C ATOM 189 CG TYR A 15 -14.120 -3.925 -0.462 1.00 0.00 C ATOM 190 CD1 TYR A 15 -14.908 -3.935 -1.606 1.00 0.00 C ATOM 191 CD2 TYR A 15 -14.700 -3.511 0.729 1.00 0.00 C ATOM 192 CE1 TYR A 15 -16.234 -3.545 -1.562 1.00 0.00 C ATOM 193 CE2 TYR A 15 -16.024 -3.120 0.781 1.00 0.00 C ATOM 194 CZ TYR A 15 -16.786 -3.139 -0.367 1.00 0.00 C ATOM 195 OH TYR A 15 -18.107 -2.747 -0.321 1.00 0.00 O ATOM 0 H TYR A 15 -9.867 -3.891 -0.247 1.00 0.00 H new ATOM 0 HA TYR A 15 -12.072 -2.828 -1.897 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -12.562 -5.178 -1.216 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -12.363 -4.715 0.463 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -14.478 -4.252 -2.545 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -14.106 -3.494 1.631 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -16.834 -3.559 -2.460 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -16.460 -2.801 1.716 1.00 0.00 H new ATOM 0 HH TYR A 15 -18.341 -2.492 0.596 1.00 0.00 H new ATOM 204 N GLY A 16 -12.031 -0.891 -0.355 1.00 0.00 N ATOM 205 CA GLY A 16 -12.077 0.249 0.538 1.00 0.00 C ATOM 206 C GLY A 16 -10.694 0.744 0.928 1.00 0.00 C ATOM 207 O GLY A 16 -10.280 1.831 0.528 1.00 0.00 O ATOM 0 H GLY A 16 -12.242 -0.677 -1.330 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -12.627 1.059 0.059 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -12.629 -0.022 1.438 1.00 0.00 H new ATOM 211 N TYR A 17 -9.985 -0.066 1.700 1.00 0.00 N ATOM 212 CA TYR A 17 -8.643 0.269 2.169 1.00 0.00 C ATOM 213 C TYR A 17 -7.935 -0.962 2.739 1.00 0.00 C ATOM 214 O TYR A 17 -6.951 -0.839 3.474 1.00 0.00 O ATOM 215 CB TYR A 17 -8.707 1.366 3.244 1.00 0.00 C ATOM 216 CG TYR A 17 -9.613 1.031 4.414 1.00 0.00 C ATOM 217 CD1 TYR A 17 -9.124 0.355 5.527 1.00 0.00 C ATOM 218 CD2 TYR A 17 -10.958 1.384 4.402 1.00 0.00 C ATOM 219 CE1 TYR A 17 -9.948 0.041 6.590 1.00 0.00 C ATOM 220 CE2 TYR A 17 -11.788 1.071 5.462 1.00 0.00 C ATOM 221 CZ TYR A 17 -11.278 0.399 6.552 1.00 0.00 C ATOM 222 OH TYR A 17 -12.103 0.080 7.608 1.00 0.00 O ATOM 0 H TYR A 17 -10.321 -0.974 2.020 1.00 0.00 H new ATOM 0 HA TYR A 17 -8.075 0.634 1.313 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -7.701 1.552 3.619 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -9.052 2.292 2.784 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -8.083 0.071 5.560 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -11.361 1.912 3.550 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -9.552 -0.483 7.447 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -12.831 1.351 5.436 1.00 0.00 H new ATOM 0 HH TYR A 17 -13.009 0.404 7.425 1.00 0.00 H new ATOM 231 N ILE A 18 -8.423 -2.150 2.393 1.00 0.00 N ATOM 232 CA ILE A 18 -7.838 -3.383 2.897 1.00 0.00 C ATOM 233 C ILE A 18 -7.327 -4.249 1.753 1.00 0.00 C ATOM 234 O ILE A 18 -8.058 -4.552 0.811 1.00 0.00 O ATOM 235 CB ILE A 18 -8.837 -4.196 3.757 1.00 0.00 C ATOM 236 CG1 ILE A 18 -10.088 -4.571 2.954 1.00 0.00 C ATOM 237 CG2 ILE A 18 -9.226 -3.410 5.001 1.00 0.00 C ATOM 238 CD1 ILE A 18 -11.046 -5.470 3.706 1.00 0.00 C ATOM 0 H ILE A 18 -9.218 -2.282 1.768 1.00 0.00 H new ATOM 0 HA ILE A 18 -7.002 -3.094 3.534 1.00 0.00 H new ATOM 0 HB ILE A 18 -8.343 -5.119 4.060 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -10.610 -3.659 2.665 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -9.783 -5.069 2.034 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -9.929 -3.994 5.596 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -8.335 -3.202 5.593 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -9.694 -2.470 4.706 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -11.907 -5.693 3.075 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -10.541 -6.398 3.972 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -11.381 -4.967 4.613 1.00 0.00 H new ATOM 249 N LEU A 19 -6.059 -4.612 1.830 1.00 0.00 N ATOM 250 CA LEU A 19 -5.436 -5.445 0.815 1.00 0.00 C ATOM 251 C LEU A 19 -5.128 -6.809 1.393 1.00 0.00 C ATOM 252 O LEU A 19 -4.326 -6.927 2.313 1.00 0.00 O ATOM 253 CB LEU A 19 -4.140 -4.805 0.318 1.00 0.00 C ATOM 254 CG LEU A 19 -4.098 -4.474 -1.171 1.00 0.00 C ATOM 255 CD1 LEU A 19 -2.832 -3.698 -1.492 1.00 0.00 C ATOM 256 CD2 LEU A 19 -4.171 -5.743 -2.003 1.00 0.00 C ATOM 0 H LEU A 19 -5.436 -4.341 2.591 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.127 -5.545 -0.022 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.970 -3.887 0.881 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.313 -5.477 0.546 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.962 -3.857 -1.418 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.808 -3.465 -2.557 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.817 -2.772 -0.917 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.961 -4.300 -1.233 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.140 -5.486 -3.062 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.325 -6.386 -1.760 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.101 -6.268 -1.784 1.00 0.00 H new ATOM 267 N ARG A 20 -5.771 -7.831 0.880 1.00 0.00 N ATOM 268 CA ARG A 20 -5.528 -9.173 1.364 1.00 0.00 C ATOM 269 C ARG A 20 -4.938 -10.018 0.255 1.00 0.00 C ATOM 270 O ARG A 20 -5.388 -9.951 -0.887 1.00 0.00 O ATOM 271 CB ARG A 20 -6.812 -9.811 1.885 1.00 0.00 C ATOM 272 CG ARG A 20 -6.572 -11.148 2.568 1.00 0.00 C ATOM 273 CD ARG A 20 -7.406 -12.258 1.942 1.00 0.00 C ATOM 274 NE ARG A 20 -8.840 -11.983 2.010 1.00 0.00 N ATOM 275 CZ ARG A 20 -9.688 -12.190 0.999 1.00 0.00 C ATOM 276 NH1 ARG A 20 -9.247 -12.658 -0.164 1.00 0.00 N ATOM 277 NH2 ARG A 20 -10.978 -11.918 1.148 1.00 0.00 N ATOM 0 H ARG A 20 -6.462 -7.762 0.133 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.821 -9.117 2.192 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -7.291 -9.130 2.588 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -7.505 -9.951 1.055 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.515 -11.406 2.502 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.814 -11.064 3.627 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -7.112 -12.386 0.900 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -7.195 -13.199 2.451 1.00 0.00 H new ATOM 0 HE ARG A 20 -9.216 -11.611 2.882 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -8.255 -12.862 -0.289 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -9.900 -12.814 -0.932 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -11.323 -11.551 2.035 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -11.625 -12.076 0.376 1.00 0.00 H new ATOM 288 N GLY A 21 -3.930 -10.795 0.592 1.00 0.00 N ATOM 289 CA GLY A 21 -3.293 -11.644 -0.388 1.00 0.00 C ATOM 290 C GLY A 21 -2.497 -12.748 0.257 1.00 0.00 C ATOM 291 O GLY A 21 -2.293 -12.742 1.470 1.00 0.00 O ATOM 0 H GLY A 21 -3.537 -10.855 1.531 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -4.051 -12.077 -1.041 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -2.636 -11.043 -1.017 1.00 0.00 H new ATOM 295 N ASP A 22 -2.051 -13.697 -0.545 1.00 0.00 N ATOM 296 CA ASP A 22 -1.271 -14.812 -0.044 1.00 0.00 C ATOM 297 C ASP A 22 0.202 -14.593 -0.331 1.00 0.00 C ATOM 298 O ASP A 22 0.629 -14.641 -1.484 1.00 0.00 O ATOM 299 CB ASP A 22 -1.735 -16.123 -0.684 1.00 0.00 C ATOM 300 CG ASP A 22 -3.010 -16.663 -0.070 1.00 0.00 C ATOM 301 OD1 ASP A 22 -4.104 -16.213 -0.464 1.00 0.00 O ATOM 302 OD2 ASP A 22 -2.927 -17.548 0.808 1.00 0.00 O ATOM 0 H ASP A 22 -2.217 -13.717 -1.551 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.418 -14.876 1.034 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.891 -15.965 -1.751 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -0.946 -16.869 -0.584 1.00 0.00 H new ATOM 306 N CYS A 23 0.979 -14.360 0.714 1.00 0.00 N ATOM 307 CA CYS A 23 2.407 -14.141 0.560 1.00 0.00 C ATOM 308 C CYS A 23 3.167 -15.373 1.026 1.00 0.00 C ATOM 309 O CYS A 23 2.903 -15.908 2.102 1.00 0.00 O ATOM 310 CB CYS A 23 2.865 -12.911 1.356 1.00 0.00 C ATOM 311 SG CYS A 23 2.949 -11.357 0.403 1.00 0.00 S ATOM 0 H CYS A 23 0.645 -14.318 1.677 1.00 0.00 H new ATOM 0 HA CYS A 23 2.616 -13.960 -0.494 1.00 0.00 H new ATOM 0 HB2 CYS A 23 2.185 -12.767 2.196 1.00 0.00 H new ATOM 0 HB3 CYS A 23 3.850 -13.115 1.775 1.00 0.00 H new ATOM 315 N ILE A 24 4.118 -15.809 0.219 1.00 0.00 N ATOM 316 CA ILE A 24 4.911 -16.995 0.522 1.00 0.00 C ATOM 317 C ILE A 24 5.834 -16.759 1.712 1.00 0.00 C ATOM 318 O ILE A 24 6.462 -15.707 1.826 1.00 0.00 O ATOM 319 CB ILE A 24 5.746 -17.425 -0.704 1.00 0.00 C ATOM 320 CG1 ILE A 24 4.825 -17.686 -1.901 1.00 0.00 C ATOM 321 CG2 ILE A 24 6.579 -18.658 -0.387 1.00 0.00 C ATOM 322 CD1 ILE A 24 5.558 -18.121 -3.152 1.00 0.00 C ATOM 0 H ILE A 24 4.364 -15.356 -0.661 1.00 0.00 H new ATOM 0 HA ILE A 24 4.214 -17.793 0.778 1.00 0.00 H new ATOM 0 HB ILE A 24 6.430 -16.616 -0.959 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.101 -18.454 -1.630 1.00 0.00 H new ATOM 0 HG13 ILE A 24 4.261 -16.779 -2.118 1.00 0.00 H new ATOM 0 HG21 ILE A 24 7.158 -18.942 -1.266 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.256 -18.437 0.438 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.920 -19.480 -0.106 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.840 -18.287 -3.955 1.00 0.00 H new ATOM 0 HD12 ILE A 24 6.263 -17.344 -3.449 1.00 0.00 H new ATOM 0 HD13 ILE A 24 6.100 -19.046 -2.953 1.00 0.00 H new ATOM 333 N ASN A 25 5.904 -17.735 2.606 1.00 0.00 N ATOM 334 CA ASN A 25 6.755 -17.623 3.780 1.00 0.00 C ATOM 335 C ASN A 25 8.030 -18.438 3.577 1.00 0.00 C ATOM 336 O ASN A 25 8.230 -19.002 2.503 1.00 0.00 O ATOM 337 CB ASN A 25 6.011 -18.068 5.048 1.00 0.00 C ATOM 338 CG ASN A 25 5.930 -19.572 5.211 1.00 0.00 C ATOM 339 OD1 ASN A 25 6.763 -20.177 5.882 1.00 0.00 O ATOM 340 ND2 ASN A 25 4.938 -20.185 4.595 1.00 0.00 N ATOM 0 H ASN A 25 5.384 -18.610 2.541 1.00 0.00 H new ATOM 0 HA ASN A 25 7.028 -16.576 3.913 1.00 0.00 H new ATOM 0 HB2 ASN A 25 6.510 -17.643 5.919 1.00 0.00 H new ATOM 0 HB3 ASN A 25 5.001 -17.659 5.028 1.00 0.00 H new ATOM 0 HD21 ASN A 25 4.842 -21.198 4.666 1.00 0.00 H new ATOM 0 HD22 ASN A 25 4.267 -19.646 4.047 1.00 0.00 H new ATOM 346 N GLU A 26 8.870 -18.519 4.601 1.00 0.00 N ATOM 347 CA GLU A 26 10.135 -19.253 4.514 1.00 0.00 C ATOM 348 C GLU A 26 9.936 -20.713 4.080 1.00 0.00 C ATOM 349 O GLU A 26 10.822 -21.312 3.471 1.00 0.00 O ATOM 350 CB GLU A 26 10.860 -19.204 5.860 1.00 0.00 C ATOM 351 CG GLU A 26 10.099 -19.877 6.991 1.00 0.00 C ATOM 352 CD GLU A 26 10.859 -19.839 8.297 1.00 0.00 C ATOM 353 OE1 GLU A 26 12.068 -20.144 8.288 1.00 0.00 O ATOM 354 OE2 GLU A 26 10.253 -19.500 9.335 1.00 0.00 O ATOM 0 H GLU A 26 8.701 -18.084 5.508 1.00 0.00 H new ATOM 0 HA GLU A 26 10.740 -18.767 3.749 1.00 0.00 H new ATOM 0 HB2 GLU A 26 11.834 -19.682 5.755 1.00 0.00 H new ATOM 0 HB3 GLU A 26 11.043 -18.163 6.126 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.135 -19.385 7.120 1.00 0.00 H new ATOM 0 HG3 GLU A 26 9.895 -20.913 6.722 1.00 0.00 H new ATOM 359 N ASP A 27 8.771 -21.273 4.387 1.00 0.00 N ATOM 360 CA ASP A 27 8.462 -22.658 4.041 1.00 0.00 C ATOM 361 C ASP A 27 8.343 -22.851 2.534 1.00 0.00 C ATOM 362 O ASP A 27 8.524 -23.955 2.023 1.00 0.00 O ATOM 363 CB ASP A 27 7.159 -23.090 4.711 1.00 0.00 C ATOM 364 CG ASP A 27 6.873 -24.568 4.534 1.00 0.00 C ATOM 365 OD1 ASP A 27 7.462 -25.384 5.273 1.00 0.00 O ATOM 366 OD2 ASP A 27 6.041 -24.921 3.672 1.00 0.00 O ATOM 0 H ASP A 27 8.020 -20.787 4.878 1.00 0.00 H new ATOM 0 HA ASP A 27 9.286 -23.275 4.400 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.208 -22.858 5.775 1.00 0.00 H new ATOM 0 HB3 ASP A 27 6.333 -22.512 4.297 1.00 0.00 H new ATOM 370 N GLY A 28 8.050 -21.774 1.822 1.00 0.00 N ATOM 371 CA GLY A 28 7.896 -21.860 0.384 1.00 0.00 C ATOM 372 C GLY A 28 6.441 -21.969 -0.008 1.00 0.00 C ATOM 373 O GLY A 28 6.105 -22.156 -1.176 1.00 0.00 O ATOM 0 H GLY A 28 7.916 -20.842 2.213 1.00 0.00 H new ATOM 0 HA2 GLY A 28 8.336 -20.979 -0.084 1.00 0.00 H new ATOM 0 HA3 GLY A 28 8.441 -22.726 0.009 1.00 0.00 H new ATOM 377 N HIS A 29 5.577 -21.859 0.989 1.00 0.00 N ATOM 378 CA HIS A 29 4.140 -21.926 0.781 1.00 0.00 C ATOM 379 C HIS A 29 3.513 -20.561 1.049 1.00 0.00 C ATOM 380 O HIS A 29 3.960 -19.828 1.937 1.00 0.00 O ATOM 381 CB HIS A 29 3.511 -22.988 1.695 1.00 0.00 C ATOM 382 CG HIS A 29 3.771 -24.404 1.265 1.00 0.00 C ATOM 383 ND1 HIS A 29 2.823 -25.401 1.354 1.00 0.00 N ATOM 384 CD2 HIS A 29 4.879 -24.991 0.748 1.00 0.00 C ATOM 385 CE1 HIS A 29 3.335 -26.536 0.912 1.00 0.00 C ATOM 386 NE2 HIS A 29 4.582 -26.316 0.539 1.00 0.00 N ATOM 0 H HIS A 29 5.851 -21.721 1.962 1.00 0.00 H new ATOM 0 HA HIS A 29 3.949 -22.208 -0.254 1.00 0.00 H new ATOM 0 HB2 HIS A 29 3.892 -22.852 2.707 1.00 0.00 H new ATOM 0 HB3 HIS A 29 2.434 -22.824 1.735 1.00 0.00 H new ATOM 0 HD2 HIS A 29 5.821 -24.506 0.539 1.00 0.00 H new ATOM 0 HE1 HIS A 29 2.820 -27.484 0.864 1.00 0.00 H new ATOM 0 HE2 HIS A 29 5.220 -27.015 0.158 1.00 0.00 H new ATOM 394 N PRO A 30 2.499 -20.186 0.255 1.00 0.00 N ATOM 395 CA PRO A 30 1.802 -18.908 0.408 1.00 0.00 C ATOM 396 C PRO A 30 0.910 -18.872 1.649 1.00 0.00 C ATOM 397 O PRO A 30 0.161 -19.811 1.920 1.00 0.00 O ATOM 398 CB PRO A 30 0.959 -18.806 -0.865 1.00 0.00 C ATOM 399 CG PRO A 30 0.738 -20.215 -1.292 1.00 0.00 C ATOM 400 CD PRO A 30 1.966 -20.975 -0.872 1.00 0.00 C ATOM 0 HA PRO A 30 2.498 -18.080 0.540 1.00 0.00 H new ATOM 0 HB2 PRO A 30 0.014 -18.298 -0.673 1.00 0.00 H new ATOM 0 HB3 PRO A 30 1.476 -18.236 -1.637 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -0.155 -20.629 -0.824 1.00 0.00 H new ATOM 0 HG3 PRO A 30 0.591 -20.277 -2.370 1.00 0.00 H new ATOM 0 HD2 PRO A 30 1.722 -21.993 -0.568 1.00 0.00 H new ATOM 0 HD3 PRO A 30 2.688 -21.050 -1.685 1.00 0.00 H new ATOM 405 N HIS A 31 1.006 -17.784 2.397 1.00 0.00 N ATOM 406 CA HIS A 31 0.223 -17.595 3.607 1.00 0.00 C ATOM 407 C HIS A 31 -0.648 -16.348 3.467 1.00 0.00 C ATOM 408 O HIS A 31 -0.161 -15.287 3.075 1.00 0.00 O ATOM 409 CB HIS A 31 1.152 -17.466 4.821 1.00 0.00 C ATOM 410 CG HIS A 31 0.435 -17.166 6.105 1.00 0.00 C ATOM 411 ND1 HIS A 31 0.517 -15.949 6.749 1.00 0.00 N ATOM 412 CD2 HIS A 31 -0.386 -17.932 6.862 1.00 0.00 C ATOM 413 CE1 HIS A 31 -0.219 -15.982 7.844 1.00 0.00 C ATOM 414 NE2 HIS A 31 -0.779 -17.171 7.933 1.00 0.00 N ATOM 0 H HIS A 31 1.630 -17.006 2.182 1.00 0.00 H new ATOM 0 HA HIS A 31 -0.422 -18.461 3.756 1.00 0.00 H new ATOM 0 HB2 HIS A 31 1.713 -18.393 4.937 1.00 0.00 H new ATOM 0 HB3 HIS A 31 1.878 -16.676 4.628 1.00 0.00 H new ATOM 0 HD1 HIS A 31 1.062 -15.148 6.429 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -0.677 -18.952 6.660 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -0.341 -15.172 8.548 1.00 0.00 H new ATOM 422 N ALA A 32 -1.927 -16.486 3.791 1.00 0.00 N ATOM 423 CA ALA A 32 -2.872 -15.380 3.693 1.00 0.00 C ATOM 424 C ALA A 32 -2.554 -14.277 4.699 1.00 0.00 C ATOM 425 O ALA A 32 -2.427 -14.526 5.898 1.00 0.00 O ATOM 426 CB ALA A 32 -4.294 -15.885 3.894 1.00 0.00 C ATOM 0 H ALA A 32 -2.336 -17.358 4.126 1.00 0.00 H new ATOM 0 HA ALA A 32 -2.782 -14.952 2.694 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.991 -15.050 3.819 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.529 -16.624 3.128 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.382 -16.343 4.879 1.00 0.00 H new ATOM 432 N THR A 33 -2.419 -13.063 4.195 1.00 0.00 N ATOM 433 CA THR A 33 -2.127 -11.904 5.022 1.00 0.00 C ATOM 434 C THR A 33 -2.926 -10.707 4.526 1.00 0.00 C ATOM 435 O THR A 33 -3.339 -10.664 3.364 1.00 0.00 O ATOM 436 CB THR A 33 -0.615 -11.575 5.013 1.00 0.00 C ATOM 437 OG1 THR A 33 -0.335 -10.481 5.899 1.00 0.00 O ATOM 438 CG2 THR A 33 -0.140 -11.228 3.609 1.00 0.00 C ATOM 0 H THR A 33 -2.509 -12.852 3.201 1.00 0.00 H new ATOM 0 HA THR A 33 -2.413 -12.134 6.048 1.00 0.00 H new ATOM 0 HB THR A 33 -0.079 -12.461 5.354 1.00 0.00 H new ATOM 0 HG1 THR A 33 0.015 -10.828 6.746 1.00 0.00 H new ATOM 0 HG21 THR A 33 0.926 -11.001 3.631 1.00 0.00 H new ATOM 0 HG22 THR A 33 -0.317 -12.074 2.945 1.00 0.00 H new ATOM 0 HG23 THR A 33 -0.688 -10.360 3.244 1.00 0.00 H new ATOM 446 N SER A 34 -3.155 -9.744 5.401 1.00 0.00 N ATOM 447 CA SER A 34 -3.907 -8.564 5.035 1.00 0.00 C ATOM 448 C SER A 34 -3.165 -7.310 5.457 1.00 0.00 C ATOM 449 O SER A 34 -2.435 -7.318 6.446 1.00 0.00 O ATOM 450 CB SER A 34 -5.287 -8.603 5.675 1.00 0.00 C ATOM 451 OG SER A 34 -5.205 -8.605 7.093 1.00 0.00 O ATOM 0 H SER A 34 -2.830 -9.759 6.368 1.00 0.00 H new ATOM 0 HA SER A 34 -4.023 -8.547 3.951 1.00 0.00 H new ATOM 0 HB2 SER A 34 -5.867 -7.741 5.345 1.00 0.00 H new ATOM 0 HB3 SER A 34 -5.820 -9.493 5.339 1.00 0.00 H new ATOM 0 HG SER A 34 -6.108 -8.629 7.473 1.00 0.00 H new ATOM 456 N ILE A 35 -3.338 -6.242 4.699 1.00 0.00 N ATOM 457 CA ILE A 35 -2.672 -4.988 5.004 1.00 0.00 C ATOM 458 C ILE A 35 -3.651 -3.816 4.912 1.00 0.00 C ATOM 459 O ILE A 35 -4.574 -3.827 4.095 1.00 0.00 O ATOM 460 CB ILE A 35 -1.474 -4.708 4.052 1.00 0.00 C ATOM 461 CG1 ILE A 35 -0.587 -5.944 3.872 1.00 0.00 C ATOM 462 CG2 ILE A 35 -0.637 -3.551 4.574 1.00 0.00 C ATOM 463 CD1 ILE A 35 -0.963 -6.804 2.682 1.00 0.00 C ATOM 0 H ILE A 35 -3.932 -6.217 3.870 1.00 0.00 H new ATOM 0 HA ILE A 35 -2.293 -5.083 6.022 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.891 -4.446 3.080 1.00 0.00 H new ATOM 0 HG12 ILE A 35 0.449 -5.623 3.762 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.638 -6.550 4.776 1.00 0.00 H new ATOM 0 HG21 ILE A 35 0.196 -3.370 3.895 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.254 -2.655 4.638 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.252 -3.798 5.563 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -0.289 -7.658 2.623 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.988 -7.158 2.798 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.883 -6.215 1.768 1.00 0.00 H new ATOM 474 N ASN A 36 -3.445 -2.811 5.754 1.00 0.00 N ATOM 475 CA ASN A 36 -4.289 -1.625 5.760 1.00 0.00 C ATOM 476 C ASN A 36 -3.555 -0.455 5.129 1.00 0.00 C ATOM 477 O ASN A 36 -2.801 0.251 5.794 1.00 0.00 O ATOM 478 CB ASN A 36 -4.726 -1.270 7.180 1.00 0.00 C ATOM 479 CG ASN A 36 -5.812 -2.190 7.691 1.00 0.00 C ATOM 480 OD1 ASN A 36 -6.630 -2.694 6.780 1.00 0.00 O flip ATOM 481 ND2 ASN A 36 -5.913 -2.448 8.888 1.00 0.00 N flip ATOM 0 H ASN A 36 -2.695 -2.795 6.445 1.00 0.00 H new ATOM 0 HA ASN A 36 -5.182 -1.841 5.174 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -3.865 -1.322 7.847 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -5.084 -0.241 7.201 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -5.260 -2.037 9.555 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -6.650 -3.073 9.215 1.00 0.00 H new ATOM 487 N LEU A 37 -3.813 -0.242 3.849 1.00 0.00 N ATOM 488 CA LEU A 37 -3.162 0.818 3.084 1.00 0.00 C ATOM 489 C LEU A 37 -3.514 2.187 3.640 1.00 0.00 C ATOM 490 O LEU A 37 -2.753 3.141 3.497 1.00 0.00 O ATOM 491 CB LEU A 37 -3.569 0.762 1.602 1.00 0.00 C ATOM 492 CG LEU A 37 -3.390 -0.586 0.886 1.00 0.00 C ATOM 493 CD1 LEU A 37 -2.041 -1.208 1.218 1.00 0.00 C ATOM 494 CD2 LEU A 37 -4.531 -1.534 1.227 1.00 0.00 C ATOM 0 H LEU A 37 -4.478 -0.796 3.309 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.087 0.659 3.168 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.617 1.051 1.526 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.992 1.513 1.062 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.414 -0.403 -0.188 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.942 -2.161 0.698 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.243 -0.537 0.901 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.971 -1.373 2.293 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.384 -2.482 0.709 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.551 -1.708 2.303 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.477 -1.092 0.913 1.00 0.00 H new ATOM 505 N ASN A 38 -4.670 2.271 4.287 1.00 0.00 N ATOM 506 CA ASN A 38 -5.152 3.522 4.859 1.00 0.00 C ATOM 507 C ASN A 38 -4.148 4.129 5.838 1.00 0.00 C ATOM 508 O ASN A 38 -4.098 5.343 6.007 1.00 0.00 O ATOM 509 CB ASN A 38 -6.490 3.291 5.570 1.00 0.00 C ATOM 510 CG ASN A 38 -7.097 4.569 6.120 1.00 0.00 C ATOM 511 OD1 ASN A 38 -6.802 4.976 7.241 1.00 0.00 O ATOM 512 ND2 ASN A 38 -7.963 5.197 5.341 1.00 0.00 N ATOM 0 H ASN A 38 -5.297 1.479 4.429 1.00 0.00 H new ATOM 0 HA ASN A 38 -5.284 4.227 4.038 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -7.191 2.833 4.873 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -6.344 2.584 6.386 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -8.413 6.053 5.665 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -8.180 4.825 4.416 1.00 0.00 H new ATOM 518 N TYR A 39 -3.334 3.288 6.459 1.00 0.00 N ATOM 519 CA TYR A 39 -2.361 3.768 7.431 1.00 0.00 C ATOM 520 C TYR A 39 -0.939 3.705 6.882 1.00 0.00 C ATOM 521 O TYR A 39 0.023 3.868 7.634 1.00 0.00 O ATOM 522 CB TYR A 39 -2.462 2.944 8.717 1.00 0.00 C ATOM 523 CG TYR A 39 -3.859 2.894 9.291 1.00 0.00 C ATOM 524 CD1 TYR A 39 -4.376 3.964 10.010 1.00 0.00 C ATOM 525 CD2 TYR A 39 -4.664 1.777 9.109 1.00 0.00 C ATOM 526 CE1 TYR A 39 -5.654 3.921 10.532 1.00 0.00 C ATOM 527 CE2 TYR A 39 -5.944 1.726 9.629 1.00 0.00 C ATOM 528 CZ TYR A 39 -6.434 2.802 10.339 1.00 0.00 C ATOM 529 OH TYR A 39 -7.708 2.759 10.858 1.00 0.00 O ATOM 0 H TYR A 39 -3.327 2.279 6.310 1.00 0.00 H new ATOM 0 HA TYR A 39 -2.589 4.812 7.646 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -2.124 1.928 8.516 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -1.786 3.363 9.462 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -3.769 4.844 10.163 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -4.284 0.934 8.552 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -6.040 4.761 11.089 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -6.556 0.849 9.480 1.00 0.00 H new ATOM 0 HH TYR A 39 -8.125 1.901 10.632 1.00 0.00 H new ATOM 538 N TYR A 40 -0.805 3.471 5.579 1.00 0.00 N ATOM 539 CA TYR A 40 0.517 3.389 4.962 1.00 0.00 C ATOM 540 C TYR A 40 0.653 4.299 3.745 1.00 0.00 C ATOM 541 O TYR A 40 1.762 4.682 3.382 1.00 0.00 O ATOM 542 CB TYR A 40 0.851 1.947 4.573 1.00 0.00 C ATOM 543 CG TYR A 40 0.947 1.006 5.755 1.00 0.00 C ATOM 544 CD1 TYR A 40 1.853 1.239 6.780 1.00 0.00 C ATOM 545 CD2 TYR A 40 0.127 -0.110 5.846 1.00 0.00 C ATOM 546 CE1 TYR A 40 1.939 0.386 7.864 1.00 0.00 C ATOM 547 CE2 TYR A 40 0.205 -0.968 6.926 1.00 0.00 C ATOM 548 CZ TYR A 40 1.112 -0.716 7.931 1.00 0.00 C ATOM 549 OH TYR A 40 1.189 -1.572 9.007 1.00 0.00 O ATOM 0 H TYR A 40 -1.585 3.336 4.936 1.00 0.00 H new ATOM 0 HA TYR A 40 1.229 3.734 5.712 1.00 0.00 H new ATOM 0 HB2 TYR A 40 0.088 1.579 3.887 1.00 0.00 H new ATOM 0 HB3 TYR A 40 1.797 1.935 4.033 1.00 0.00 H new ATOM 0 HD1 TYR A 40 2.502 2.101 6.730 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -0.584 -0.311 5.059 1.00 0.00 H new ATOM 0 HE1 TYR A 40 2.649 0.581 8.654 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -0.442 -1.831 6.982 1.00 0.00 H new ATOM 0 HH TYR A 40 0.537 -2.295 8.897 1.00 0.00 H new ATOM 558 N ILE A 41 -0.465 4.649 3.126 1.00 0.00 N ATOM 559 CA ILE A 41 -0.456 5.510 1.950 1.00 0.00 C ATOM 560 C ILE A 41 -1.073 6.858 2.284 1.00 0.00 C ATOM 561 O ILE A 41 -2.052 6.933 3.035 1.00 0.00 O ATOM 562 CB ILE A 41 -1.222 4.876 0.765 1.00 0.00 C ATOM 563 CG1 ILE A 41 -0.379 3.814 0.058 1.00 0.00 C ATOM 564 CG2 ILE A 41 -1.655 5.939 -0.231 1.00 0.00 C ATOM 565 CD1 ILE A 41 -0.294 2.506 0.801 1.00 0.00 C ATOM 0 H ILE A 41 -1.395 4.349 3.420 1.00 0.00 H new ATOM 0 HA ILE A 41 0.584 5.640 1.651 1.00 0.00 H new ATOM 0 HB ILE A 41 -2.109 4.393 1.175 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.798 3.632 -0.932 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.629 4.203 -0.089 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.192 5.469 -1.055 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -2.308 6.657 0.264 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -0.776 6.455 -0.618 1.00 0.00 H new ATOM 0 HD11 ILE A 41 0.321 1.806 0.235 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.154 2.673 1.781 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.295 2.092 0.925 1.00 0.00 H new ATOM 576 N GLY A 42 -0.494 7.921 1.745 1.00 0.00 N ATOM 577 CA GLY A 42 -1.006 9.245 2.011 1.00 0.00 C ATOM 578 C GLY A 42 -1.626 9.899 0.800 1.00 0.00 C ATOM 579 O GLY A 42 -1.400 9.478 -0.335 1.00 0.00 O ATOM 0 H GLY A 42 0.319 7.888 1.130 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.750 9.187 2.805 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.195 9.873 2.380 1.00 0.00 H new ATOM 583 N ASN A 43 -2.401 10.938 1.057 1.00 0.00 N ATOM 584 CA ASN A 43 -3.081 11.685 0.006 1.00 0.00 C ATOM 585 C ASN A 43 -2.499 13.091 -0.101 1.00 0.00 C ATOM 586 O ASN A 43 -2.729 13.941 0.765 1.00 0.00 O ATOM 587 CB ASN A 43 -4.587 11.745 0.293 1.00 0.00 C ATOM 588 CG ASN A 43 -5.337 12.681 -0.639 1.00 0.00 C ATOM 589 OD1 ASN A 43 -4.946 12.887 -1.786 1.00 0.00 O ATOM 590 ND2 ASN A 43 -6.427 13.254 -0.146 1.00 0.00 N ATOM 0 H ASN A 43 -2.578 11.290 1.998 1.00 0.00 H new ATOM 0 HA ASN A 43 -2.929 11.176 -0.946 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -5.007 10.743 0.206 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -4.742 12.067 1.323 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -6.974 13.892 -0.724 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -6.718 13.057 0.811 1.00 0.00 H new ATOM 596 N ASP A 44 -1.731 13.319 -1.156 1.00 0.00 N ATOM 597 CA ASP A 44 -1.096 14.609 -1.385 1.00 0.00 C ATOM 598 C ASP A 44 -1.712 15.295 -2.594 1.00 0.00 C ATOM 599 O ASP A 44 -1.494 14.879 -3.732 1.00 0.00 O ATOM 600 CB ASP A 44 0.411 14.419 -1.576 1.00 0.00 C ATOM 601 CG ASP A 44 1.174 15.727 -1.657 1.00 0.00 C ATOM 602 OD1 ASP A 44 1.094 16.530 -0.702 1.00 0.00 O ATOM 603 OD2 ASP A 44 1.872 15.950 -2.666 1.00 0.00 O ATOM 0 H ASP A 44 -1.531 12.621 -1.873 1.00 0.00 H new ATOM 0 HA ASP A 44 -1.259 15.246 -0.516 1.00 0.00 H new ATOM 0 HB2 ASP A 44 0.804 13.828 -0.749 1.00 0.00 H new ATOM 0 HB3 ASP A 44 0.586 13.847 -2.487 1.00 0.00 H new ATOM 607 N ASN A 45 -2.502 16.332 -2.329 1.00 0.00 N ATOM 608 CA ASN A 45 -3.173 17.100 -3.375 1.00 0.00 C ATOM 609 C ASN A 45 -4.063 16.209 -4.231 1.00 0.00 C ATOM 610 O ASN A 45 -4.094 16.336 -5.458 1.00 0.00 O ATOM 611 CB ASN A 45 -2.150 17.817 -4.253 1.00 0.00 C ATOM 612 CG ASN A 45 -1.647 19.110 -3.644 1.00 0.00 C ATOM 613 OD1 ASN A 45 -2.305 20.208 -3.977 1.00 0.00 O flip ATOM 614 ND2 ASN A 45 -0.669 19.124 -2.895 1.00 0.00 N flip ATOM 0 H ASN A 45 -2.695 16.664 -1.384 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.804 17.843 -2.887 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -1.304 17.153 -4.431 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -2.598 18.030 -5.223 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -0.191 18.253 -2.664 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -0.337 20.007 -2.506 1.00 0.00 H new ATOM 620 N GLY A 46 -4.781 15.307 -3.580 1.00 0.00 N ATOM 621 CA GLY A 46 -5.673 14.412 -4.288 1.00 0.00 C ATOM 622 C GLY A 46 -4.938 13.316 -5.032 1.00 0.00 C ATOM 623 O GLY A 46 -5.497 12.687 -5.927 1.00 0.00 O ATOM 0 H GLY A 46 -4.762 15.178 -2.568 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -6.366 13.961 -3.578 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -6.271 14.987 -4.995 1.00 0.00 H new ATOM 627 N ARG A 47 -3.685 13.095 -4.667 1.00 0.00 N ATOM 628 CA ARG A 47 -2.868 12.078 -5.310 1.00 0.00 C ATOM 629 C ARG A 47 -2.304 11.098 -4.296 1.00 0.00 C ATOM 630 O ARG A 47 -1.936 11.477 -3.183 1.00 0.00 O ATOM 631 CB ARG A 47 -1.731 12.731 -6.085 1.00 0.00 C ATOM 632 CG ARG A 47 -1.875 12.617 -7.592 1.00 0.00 C ATOM 633 CD ARG A 47 -3.222 13.142 -8.073 1.00 0.00 C ATOM 634 NE ARG A 47 -3.404 14.562 -7.768 1.00 0.00 N ATOM 635 CZ ARG A 47 -3.469 15.519 -8.690 1.00 0.00 C ATOM 636 NH1 ARG A 47 -3.342 15.218 -9.975 1.00 0.00 N ATOM 637 NH2 ARG A 47 -3.655 16.780 -8.319 1.00 0.00 N ATOM 0 H ARG A 47 -3.210 13.609 -3.925 1.00 0.00 H new ATOM 0 HA ARG A 47 -3.506 11.524 -5.999 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.676 13.785 -5.813 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -0.788 12.274 -5.783 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -1.074 13.174 -8.077 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -1.764 11.574 -7.890 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -3.306 12.990 -9.149 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -4.022 12.567 -7.606 1.00 0.00 H new ATOM 0 HE ARG A 47 -3.486 14.835 -6.789 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -3.194 14.250 -10.260 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -3.392 15.955 -10.679 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -3.747 17.012 -7.330 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -3.705 17.517 -9.023 1.00 0.00 H new ATOM 648 N LEU A 48 -2.238 9.845 -4.701 1.00 0.00 N ATOM 649 CA LEU A 48 -1.719 8.785 -3.857 1.00 0.00 C ATOM 650 C LEU A 48 -0.207 8.891 -3.733 1.00 0.00 C ATOM 651 O LEU A 48 0.505 8.918 -4.735 1.00 0.00 O ATOM 652 CB LEU A 48 -2.100 7.425 -4.447 1.00 0.00 C ATOM 653 CG LEU A 48 -3.579 7.260 -4.772 1.00 0.00 C ATOM 654 CD1 LEU A 48 -3.869 5.840 -5.217 1.00 0.00 C ATOM 655 CD2 LEU A 48 -4.421 7.633 -3.569 1.00 0.00 C ATOM 0 H LEU A 48 -2.542 9.533 -5.623 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.154 8.884 -2.863 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.523 7.265 -5.358 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.808 6.645 -3.744 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.836 7.929 -5.593 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.930 5.740 -5.445 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.283 5.611 -6.107 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.602 5.147 -4.419 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -5.477 7.512 -3.812 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.165 6.985 -2.731 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.228 8.671 -3.298 1.00 0.00 H new ATOM 666 N GLU A 49 0.273 8.973 -2.505 1.00 0.00 N ATOM 667 CA GLU A 49 1.698 9.057 -2.243 1.00 0.00 C ATOM 668 C GLU A 49 2.132 7.835 -1.447 1.00 0.00 C ATOM 669 O GLU A 49 1.414 7.417 -0.538 1.00 0.00 O ATOM 670 CB GLU A 49 2.026 10.345 -1.483 1.00 0.00 C ATOM 671 CG GLU A 49 3.499 10.503 -1.152 1.00 0.00 C ATOM 672 CD GLU A 49 3.813 11.840 -0.516 1.00 0.00 C ATOM 673 OE1 GLU A 49 4.041 12.816 -1.264 1.00 0.00 O ATOM 674 OE2 GLU A 49 3.832 11.920 0.730 1.00 0.00 O ATOM 0 H GLU A 49 -0.309 8.983 -1.667 1.00 0.00 H new ATOM 0 HA GLU A 49 2.241 9.079 -3.188 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.703 11.199 -2.078 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.451 10.366 -0.557 1.00 0.00 H new ATOM 0 HG2 GLU A 49 3.804 9.703 -0.477 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.086 10.392 -2.063 1.00 0.00 H new ATOM 679 N TYR A 50 3.281 7.260 -1.826 1.00 0.00 N ATOM 680 CA TYR A 50 3.837 6.077 -1.168 1.00 0.00 C ATOM 681 C TYR A 50 3.625 6.047 0.245 1.00 0.00 C ATOM 682 O TYR A 50 2.831 5.223 0.697 1.00 0.00 O ATOM 683 CB TYR A 50 5.315 5.807 -1.492 1.00 0.00 C ATOM 684 CG TYR A 50 6.050 6.887 -2.287 1.00 0.00 C ATOM 685 CD1 TYR A 50 5.643 7.247 -3.565 1.00 0.00 C ATOM 686 CD2 TYR A 50 7.167 7.533 -1.760 1.00 0.00 C ATOM 687 CE1 TYR A 50 6.312 8.213 -4.290 1.00 0.00 C ATOM 688 CE2 TYR A 50 7.840 8.504 -2.480 1.00 0.00 C ATOM 689 CZ TYR A 50 7.407 8.840 -3.744 1.00 0.00 C ATOM 690 OH TYR A 50 8.072 9.806 -4.467 1.00 0.00 O ATOM 0 H TYR A 50 3.850 7.605 -2.599 1.00 0.00 H new ATOM 0 HA TYR A 50 3.260 5.262 -1.605 1.00 0.00 H new ATOM 0 HB2 TYR A 50 5.847 5.654 -0.553 1.00 0.00 H new ATOM 0 HB3 TYR A 50 5.376 4.872 -2.050 1.00 0.00 H new ATOM 0 HD1 TYR A 50 4.784 6.760 -4.002 1.00 0.00 H new ATOM 0 HD2 TYR A 50 7.514 7.271 -0.771 1.00 0.00 H new ATOM 0 HE1 TYR A 50 5.976 8.475 -5.282 1.00 0.00 H new ATOM 0 HE2 TYR A 50 8.701 8.996 -2.053 1.00 0.00 H new ATOM 0 HH TYR A 50 8.822 10.151 -3.939 1.00 0.00 H new ATOM 699 N PRO A 51 4.249 6.833 1.031 1.00 0.00 N ATOM 700 CA PRO A 51 3.973 6.641 2.331 1.00 0.00 C ATOM 701 C PRO A 51 3.205 7.775 2.944 1.00 0.00 C ATOM 702 O PRO A 51 3.593 8.945 2.890 1.00 0.00 O ATOM 703 CB PRO A 51 5.338 6.483 2.853 1.00 0.00 C ATOM 704 CG PRO A 51 6.136 7.515 2.093 1.00 0.00 C ATOM 705 CD PRO A 51 5.331 7.792 0.843 1.00 0.00 C ATOM 0 HA PRO A 51 3.313 5.801 2.548 1.00 0.00 H new ATOM 0 HB2 PRO A 51 5.378 6.659 3.928 1.00 0.00 H new ATOM 0 HB3 PRO A 51 5.718 5.476 2.680 1.00 0.00 H new ATOM 0 HG2 PRO A 51 6.272 8.421 2.683 1.00 0.00 H new ATOM 0 HG3 PRO A 51 7.130 7.142 1.847 1.00 0.00 H new ATOM 0 HD2 PRO A 51 4.974 8.821 0.795 1.00 0.00 H new ATOM 0 HD3 PRO A 51 5.899 7.608 -0.069 1.00 0.00 H new ATOM 710 N GLY A 52 2.131 7.411 3.538 1.00 0.00 N ATOM 711 CA GLY A 52 1.277 8.390 4.124 1.00 0.00 C ATOM 712 C GLY A 52 0.349 7.825 5.167 1.00 0.00 C ATOM 713 O GLY A 52 0.560 6.721 5.666 1.00 0.00 O ATOM 0 H GLY A 52 1.817 6.445 3.635 1.00 0.00 H new ATOM 0 HA2 GLY A 52 1.888 9.171 4.577 1.00 0.00 H new ATOM 0 HA3 GLY A 52 0.686 8.862 3.340 1.00 0.00 H new ATOM 717 N GLU A 53 -0.695 8.581 5.472 1.00 0.00 N ATOM 718 CA GLU A 53 -1.680 8.184 6.467 1.00 0.00 C ATOM 719 C GLU A 53 -3.037 8.813 6.174 1.00 0.00 C ATOM 720 O GLU A 53 -3.114 9.963 5.731 1.00 0.00 O ATOM 721 CB GLU A 53 -1.238 8.616 7.872 1.00 0.00 C ATOM 722 CG GLU A 53 -0.061 7.836 8.432 1.00 0.00 C ATOM 723 CD GLU A 53 0.410 8.383 9.764 1.00 0.00 C ATOM 724 OE1 GLU A 53 -0.239 8.097 10.790 1.00 0.00 O ATOM 725 OE2 GLU A 53 1.430 9.109 9.792 1.00 0.00 O ATOM 0 H GLU A 53 -0.883 9.485 5.038 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.764 7.098 6.423 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -0.977 9.674 7.847 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.083 8.512 8.553 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.345 6.790 8.551 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.763 7.864 7.719 1.00 0.00 H new ATOM 730 N SER A 54 -4.089 8.040 6.416 1.00 0.00 N ATOM 731 CA SER A 54 -5.466 8.478 6.241 1.00 0.00 C ATOM 732 C SER A 54 -5.767 9.009 4.836 1.00 0.00 C ATOM 733 O SER A 54 -6.446 10.028 4.685 1.00 0.00 O ATOM 734 CB SER A 54 -5.792 9.541 7.286 1.00 0.00 C ATOM 735 OG SER A 54 -5.456 9.099 8.595 1.00 0.00 O ATOM 0 H SER A 54 -4.007 7.078 6.744 1.00 0.00 H new ATOM 0 HA SER A 54 -6.099 7.601 6.373 1.00 0.00 H new ATOM 0 HB2 SER A 54 -5.247 10.457 7.058 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.854 9.783 7.243 1.00 0.00 H new ATOM 0 HG SER A 54 -5.674 9.801 9.243 1.00 0.00 H new ATOM 740 N PHE A 55 -5.280 8.327 3.804 1.00 0.00 N ATOM 741 CA PHE A 55 -5.551 8.760 2.437 1.00 0.00 C ATOM 742 C PHE A 55 -7.024 8.518 2.113 1.00 0.00 C ATOM 743 O PHE A 55 -7.666 9.316 1.434 1.00 0.00 O ATOM 744 CB PHE A 55 -4.654 8.033 1.420 1.00 0.00 C ATOM 745 CG PHE A 55 -5.082 6.623 1.099 1.00 0.00 C ATOM 746 CD1 PHE A 55 -4.785 5.579 1.956 1.00 0.00 C ATOM 747 CD2 PHE A 55 -5.788 6.348 -0.064 1.00 0.00 C ATOM 748 CE1 PHE A 55 -5.183 4.291 1.662 1.00 0.00 C ATOM 749 CE2 PHE A 55 -6.189 5.059 -0.361 1.00 0.00 C ATOM 750 CZ PHE A 55 -5.885 4.029 0.505 1.00 0.00 C ATOM 0 H PHE A 55 -4.706 7.488 3.884 1.00 0.00 H new ATOM 0 HA PHE A 55 -5.327 9.824 2.364 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -4.632 8.611 0.496 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -3.635 8.010 1.806 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -4.236 5.774 2.865 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -6.027 7.151 -0.745 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -4.944 3.486 2.341 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -6.739 4.859 -1.269 1.00 0.00 H new ATOM 0 HZ PHE A 55 -6.196 3.020 0.277 1.00 0.00 H new ATOM 759 N GLY A 56 -7.562 7.431 2.670 1.00 0.00 N ATOM 760 CA GLY A 56 -8.947 7.056 2.440 1.00 0.00 C ATOM 761 C GLY A 56 -9.938 8.136 2.823 1.00 0.00 C ATOM 762 O GLY A 56 -11.089 8.102 2.390 1.00 0.00 O ATOM 0 H GLY A 56 -7.052 6.797 3.285 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -9.078 6.811 1.386 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.169 6.152 3.008 1.00 0.00 H new ATOM 766 N SER A 57 -9.493 9.084 3.638 1.00 0.00 N ATOM 767 CA SER A 57 -10.330 10.189 4.075 1.00 0.00 C ATOM 768 C SER A 57 -10.961 10.895 2.870 1.00 0.00 C ATOM 769 O SER A 57 -12.169 11.139 2.843 1.00 0.00 O ATOM 770 CB SER A 57 -9.492 11.178 4.895 1.00 0.00 C ATOM 771 OG SER A 57 -10.281 12.255 5.382 1.00 0.00 O ATOM 0 H SER A 57 -8.545 9.107 4.012 1.00 0.00 H new ATOM 0 HA SER A 57 -11.133 9.799 4.700 1.00 0.00 H new ATOM 0 HB2 SER A 57 -9.030 10.657 5.733 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.683 11.569 4.278 1.00 0.00 H new ATOM 0 HG SER A 57 -9.717 12.865 5.901 1.00 0.00 H new ATOM 776 N SER A 58 -10.149 11.191 1.863 1.00 0.00 N ATOM 777 CA SER A 58 -10.639 11.867 0.670 1.00 0.00 C ATOM 778 C SER A 58 -10.427 11.022 -0.592 1.00 0.00 C ATOM 779 O SER A 58 -10.580 11.521 -1.709 1.00 0.00 O ATOM 780 CB SER A 58 -9.943 13.221 0.511 1.00 0.00 C ATOM 781 OG SER A 58 -10.133 14.041 1.656 1.00 0.00 O ATOM 0 H SER A 58 -9.152 10.974 1.849 1.00 0.00 H new ATOM 0 HA SER A 58 -11.711 12.018 0.794 1.00 0.00 H new ATOM 0 HB2 SER A 58 -8.877 13.066 0.346 1.00 0.00 H new ATOM 0 HB3 SER A 58 -10.332 13.730 -0.371 1.00 0.00 H new ATOM 0 HG SER A 58 -9.675 14.898 1.525 1.00 0.00 H new ATOM 786 N CYS A 59 -10.088 9.747 -0.419 1.00 0.00 N ATOM 787 CA CYS A 59 -9.858 8.864 -1.556 1.00 0.00 C ATOM 788 C CYS A 59 -10.937 7.800 -1.675 1.00 0.00 C ATOM 789 O CYS A 59 -11.358 7.205 -0.682 1.00 0.00 O ATOM 790 CB CYS A 59 -8.500 8.172 -1.453 1.00 0.00 C ATOM 791 SG CYS A 59 -7.075 9.302 -1.410 1.00 0.00 S ATOM 0 H CYS A 59 -9.967 9.305 0.492 1.00 0.00 H new ATOM 0 HA CYS A 59 -9.883 9.496 -2.444 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -8.487 7.558 -0.552 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -8.386 7.497 -2.301 1.00 0.00 H new ATOM 795 N VAL A 60 -11.371 7.570 -2.901 1.00 0.00 N ATOM 796 CA VAL A 60 -12.383 6.566 -3.201 1.00 0.00 C ATOM 797 C VAL A 60 -11.970 5.787 -4.443 1.00 0.00 C ATOM 798 O VAL A 60 -10.961 6.120 -5.068 1.00 0.00 O ATOM 799 CB VAL A 60 -13.778 7.187 -3.436 1.00 0.00 C ATOM 800 CG1 VAL A 60 -14.324 7.802 -2.154 1.00 0.00 C ATOM 801 CG2 VAL A 60 -13.723 8.228 -4.547 1.00 0.00 C ATOM 0 H VAL A 60 -11.033 8.074 -3.721 1.00 0.00 H new ATOM 0 HA VAL A 60 -12.454 5.907 -2.336 1.00 0.00 H new ATOM 0 HB VAL A 60 -14.454 6.389 -3.744 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -15.307 8.232 -2.347 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -14.409 7.031 -1.388 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -13.647 8.584 -1.808 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -14.715 8.653 -4.697 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -13.027 9.020 -4.270 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -13.387 7.757 -5.471 1.00 0.00 H new ATOM 811 N LYS A 61 -12.749 4.763 -4.802 1.00 0.00 N ATOM 812 CA LYS A 61 -12.459 3.937 -5.978 1.00 0.00 C ATOM 813 C LYS A 61 -11.107 3.247 -5.842 1.00 0.00 C ATOM 814 O LYS A 61 -10.318 3.208 -6.788 1.00 0.00 O ATOM 815 CB LYS A 61 -12.501 4.774 -7.266 1.00 0.00 C ATOM 816 CG LYS A 61 -13.890 4.919 -7.876 1.00 0.00 C ATOM 817 CD LYS A 61 -14.877 5.586 -6.929 1.00 0.00 C ATOM 818 CE LYS A 61 -16.262 5.688 -7.550 1.00 0.00 C ATOM 819 NZ LYS A 61 -16.801 4.354 -7.926 1.00 0.00 N ATOM 0 H LYS A 61 -13.588 4.485 -4.293 1.00 0.00 H new ATOM 0 HA LYS A 61 -13.232 3.171 -6.040 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -12.105 5.767 -7.053 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -11.839 4.319 -8.003 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -13.821 5.503 -8.794 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -14.266 3.934 -8.153 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -14.934 5.017 -6.001 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -14.519 6.582 -6.670 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -16.941 6.169 -6.846 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -16.217 6.324 -8.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -17.826 4.427 -8.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -16.336 4.024 -8.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -16.619 3.677 -7.158 1.00 0.00 H new ATOM 829 N THR A 62 -10.843 2.721 -4.655 1.00 0.00 N ATOM 830 CA THR A 62 -9.595 2.024 -4.378 1.00 0.00 C ATOM 831 C THR A 62 -9.508 0.710 -5.162 1.00 0.00 C ATOM 832 O THR A 62 -10.446 -0.090 -5.159 1.00 0.00 O ATOM 833 CB THR A 62 -9.453 1.738 -2.870 1.00 0.00 C ATOM 834 OG1 THR A 62 -10.707 1.294 -2.336 1.00 0.00 O ATOM 835 CG2 THR A 62 -8.992 2.971 -2.108 1.00 0.00 C ATOM 0 H THR A 62 -11.483 2.764 -3.862 1.00 0.00 H new ATOM 0 HA THR A 62 -8.780 2.674 -4.696 1.00 0.00 H new ATOM 0 HB THR A 62 -8.700 0.959 -2.751 1.00 0.00 H new ATOM 0 HG1 THR A 62 -11.141 0.693 -2.977 1.00 0.00 H new ATOM 0 HG21 THR A 62 -8.903 2.732 -1.048 1.00 0.00 H new ATOM 0 HG22 THR A 62 -8.023 3.294 -2.490 1.00 0.00 H new ATOM 0 HG23 THR A 62 -9.719 3.773 -2.239 1.00 0.00 H new ATOM 843 N ALA A 63 -8.387 0.508 -5.845 1.00 0.00 N ATOM 844 CA ALA A 63 -8.157 -0.697 -6.634 1.00 0.00 C ATOM 845 C ALA A 63 -6.667 -1.004 -6.714 1.00 0.00 C ATOM 846 O ALA A 63 -5.837 -0.145 -6.418 1.00 0.00 O ATOM 847 CB ALA A 63 -8.742 -0.545 -8.028 1.00 0.00 C ATOM 0 H ALA A 63 -7.614 1.173 -5.868 1.00 0.00 H new ATOM 0 HA ALA A 63 -8.658 -1.530 -6.141 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -8.560 -1.455 -8.600 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -9.816 -0.371 -7.955 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -8.271 0.300 -8.530 1.00 0.00 H new ATOM 853 N LEU A 64 -6.331 -2.229 -7.097 1.00 0.00 N ATOM 854 CA LEU A 64 -4.936 -2.641 -7.201 1.00 0.00 C ATOM 855 C LEU A 64 -4.596 -3.135 -8.612 1.00 0.00 C ATOM 856 O LEU A 64 -5.087 -4.176 -9.055 1.00 0.00 O ATOM 857 CB LEU A 64 -4.648 -3.745 -6.174 1.00 0.00 C ATOM 858 CG LEU A 64 -3.603 -3.398 -5.106 1.00 0.00 C ATOM 859 CD1 LEU A 64 -2.224 -3.299 -5.719 1.00 0.00 C ATOM 860 CD2 LEU A 64 -3.955 -2.098 -4.409 1.00 0.00 C ATOM 0 H LEU A 64 -7.005 -2.955 -7.341 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.310 -1.773 -6.995 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.581 -4.004 -5.674 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -4.315 -4.635 -6.707 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.601 -4.199 -4.367 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.498 -3.052 -4.944 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.959 -4.253 -6.174 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.220 -2.520 -6.481 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.200 -1.873 -3.656 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.990 -1.291 -5.141 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.929 -2.195 -3.929 1.00 0.00 H new ATOM 871 N ASN A 65 -3.747 -2.384 -9.306 1.00 0.00 N ATOM 872 CA ASN A 65 -3.318 -2.737 -10.654 1.00 0.00 C ATOM 873 C ASN A 65 -2.167 -3.724 -10.607 1.00 0.00 C ATOM 874 O ASN A 65 -1.135 -3.456 -9.978 1.00 0.00 O ATOM 875 CB ASN A 65 -2.888 -1.495 -11.438 1.00 0.00 C ATOM 876 CG ASN A 65 -4.066 -0.703 -11.974 1.00 0.00 C ATOM 877 OD1 ASN A 65 -4.574 0.198 -11.312 1.00 0.00 O ATOM 878 ND2 ASN A 65 -4.501 -1.025 -13.180 1.00 0.00 N ATOM 0 H ASN A 65 -3.339 -1.519 -8.952 1.00 0.00 H new ATOM 0 HA ASN A 65 -4.168 -3.196 -11.159 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -2.288 -0.853 -10.793 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -2.251 -1.798 -12.269 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -5.285 -0.518 -13.591 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -4.053 -1.780 -13.699 1.00 0.00 H new ATOM 884 N ASP A 66 -2.376 -4.882 -11.237 1.00 0.00 N ATOM 885 CA ASP A 66 -1.377 -5.950 -11.314 1.00 0.00 C ATOM 886 C ASP A 66 -0.948 -6.413 -9.920 1.00 0.00 C ATOM 887 O ASP A 66 0.076 -7.073 -9.747 1.00 0.00 O ATOM 888 CB ASP A 66 -0.174 -5.479 -12.138 1.00 0.00 C ATOM 889 CG ASP A 66 0.792 -6.600 -12.476 1.00 0.00 C ATOM 890 OD1 ASP A 66 0.407 -7.510 -13.240 1.00 0.00 O ATOM 891 OD2 ASP A 66 1.938 -6.571 -11.988 1.00 0.00 O ATOM 0 H ASP A 66 -3.250 -5.107 -11.712 1.00 0.00 H new ATOM 0 HA ASP A 66 -1.826 -6.809 -11.812 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -0.530 -5.023 -13.062 1.00 0.00 H new ATOM 0 HB3 ASP A 66 0.357 -4.704 -11.585 1.00 0.00 H new ATOM 895 N GLY A 67 -1.753 -6.065 -8.926 1.00 0.00 N ATOM 896 CA GLY A 67 -1.465 -6.441 -7.560 1.00 0.00 C ATOM 897 C GLY A 67 -0.210 -5.793 -7.007 1.00 0.00 C ATOM 898 O GLY A 67 0.446 -6.359 -6.140 1.00 0.00 O ATOM 0 H GLY A 67 -2.609 -5.523 -9.046 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -2.312 -6.170 -6.930 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.360 -7.524 -7.504 1.00 0.00 H new ATOM 902 N HIS A 68 0.126 -4.600 -7.495 1.00 0.00 N ATOM 903 CA HIS A 68 1.315 -3.906 -7.010 1.00 0.00 C ATOM 904 C HIS A 68 1.091 -2.399 -6.937 1.00 0.00 C ATOM 905 O HIS A 68 1.695 -1.722 -6.120 1.00 0.00 O ATOM 906 CB HIS A 68 2.547 -4.220 -7.881 1.00 0.00 C ATOM 907 CG HIS A 68 2.610 -3.484 -9.192 1.00 0.00 C ATOM 908 ND1 HIS A 68 3.502 -2.463 -9.436 1.00 0.00 N ATOM 909 CD2 HIS A 68 1.910 -3.646 -10.340 1.00 0.00 C ATOM 910 CE1 HIS A 68 3.348 -2.035 -10.675 1.00 0.00 C ATOM 911 NE2 HIS A 68 2.390 -2.736 -11.245 1.00 0.00 N ATOM 0 H HIS A 68 -0.399 -4.102 -8.214 1.00 0.00 H new ATOM 0 HA HIS A 68 1.507 -4.273 -6.002 1.00 0.00 H new ATOM 0 HB2 HIS A 68 3.445 -3.988 -7.309 1.00 0.00 H new ATOM 0 HB3 HIS A 68 2.566 -5.291 -8.083 1.00 0.00 H new ATOM 0 HD1 HIS A 68 4.176 -2.095 -8.764 1.00 0.00 H new ATOM 0 HD2 HIS A 68 1.119 -4.361 -10.511 1.00 0.00 H new ATOM 0 HE1 HIS A 68 3.913 -1.243 -11.143 1.00 0.00 H new ATOM 919 N THR A 69 0.216 -1.880 -7.784 1.00 0.00 N ATOM 920 CA THR A 69 -0.056 -0.457 -7.811 1.00 0.00 C ATOM 921 C THR A 69 -1.453 -0.139 -7.294 1.00 0.00 C ATOM 922 O THR A 69 -2.430 -0.741 -7.718 1.00 0.00 O ATOM 923 CB THR A 69 0.091 0.079 -9.245 1.00 0.00 C ATOM 924 OG1 THR A 69 1.466 0.048 -9.635 1.00 0.00 O ATOM 925 CG2 THR A 69 -0.459 1.487 -9.379 1.00 0.00 C ATOM 0 H THR A 69 -0.317 -2.426 -8.461 1.00 0.00 H new ATOM 0 HA THR A 69 0.667 0.028 -7.155 1.00 0.00 H new ATOM 0 HB THR A 69 -0.491 -0.565 -9.905 1.00 0.00 H new ATOM 0 HG1 THR A 69 1.554 0.389 -10.550 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.336 1.829 -10.407 1.00 0.00 H new ATOM 0 HG22 THR A 69 -1.518 1.490 -9.119 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.081 2.154 -8.707 1.00 0.00 H new ATOM 933 N LEU A 70 -1.538 0.797 -6.368 1.00 0.00 N ATOM 934 CA LEU A 70 -2.820 1.218 -5.827 1.00 0.00 C ATOM 935 C LEU A 70 -3.372 2.365 -6.655 1.00 0.00 C ATOM 936 O LEU A 70 -2.670 3.333 -6.928 1.00 0.00 O ATOM 937 CB LEU A 70 -2.675 1.652 -4.364 1.00 0.00 C ATOM 938 CG LEU A 70 -3.810 2.523 -3.807 1.00 0.00 C ATOM 939 CD1 LEU A 70 -5.134 1.779 -3.827 1.00 0.00 C ATOM 940 CD2 LEU A 70 -3.479 2.978 -2.395 1.00 0.00 C ATOM 0 H LEU A 70 -0.733 1.283 -5.973 1.00 0.00 H new ATOM 0 HA LEU A 70 -3.510 0.375 -5.869 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.593 0.758 -3.746 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.738 2.199 -4.259 1.00 0.00 H new ATOM 0 HG LEU A 70 -3.909 3.400 -4.447 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -5.918 2.421 -3.427 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -5.380 1.502 -4.852 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -5.055 0.879 -3.217 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.292 3.595 -2.012 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -3.351 2.107 -1.753 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -2.557 3.559 -2.407 1.00 0.00 H new ATOM 951 N THR A 71 -4.615 2.238 -7.072 1.00 0.00 N ATOM 952 CA THR A 71 -5.266 3.268 -7.853 1.00 0.00 C ATOM 953 C THR A 71 -6.511 3.763 -7.147 1.00 0.00 C ATOM 954 O THR A 71 -7.335 2.968 -6.696 1.00 0.00 O ATOM 955 CB THR A 71 -5.647 2.769 -9.255 1.00 0.00 C ATOM 956 OG1 THR A 71 -5.820 1.344 -9.245 1.00 0.00 O ATOM 957 CG2 THR A 71 -4.590 3.165 -10.266 1.00 0.00 C ATOM 0 H THR A 71 -5.199 1.424 -6.881 1.00 0.00 H new ATOM 0 HA THR A 71 -4.552 4.085 -7.960 1.00 0.00 H new ATOM 0 HB THR A 71 -6.590 3.234 -9.544 1.00 0.00 H new ATOM 0 HG1 THR A 71 -5.381 0.956 -10.031 1.00 0.00 H new ATOM 0 HG21 THR A 71 -4.877 2.803 -11.253 1.00 0.00 H new ATOM 0 HG22 THR A 71 -4.498 4.251 -10.290 1.00 0.00 H new ATOM 0 HG23 THR A 71 -3.633 2.726 -9.983 1.00 0.00 H new ATOM 965 N ALA A 72 -6.630 5.070 -7.031 1.00 0.00 N ATOM 966 CA ALA A 72 -7.784 5.669 -6.383 1.00 0.00 C ATOM 967 C ALA A 72 -7.949 7.118 -6.806 1.00 0.00 C ATOM 968 O ALA A 72 -7.057 7.699 -7.425 1.00 0.00 O ATOM 969 CB ALA A 72 -7.659 5.562 -4.870 1.00 0.00 C ATOM 0 H ALA A 72 -5.943 5.740 -7.376 1.00 0.00 H new ATOM 0 HA ALA A 72 -8.674 5.122 -6.695 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -8.532 6.015 -4.400 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.597 4.512 -4.583 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.759 6.082 -4.542 1.00 0.00 H new ATOM 975 N SER A 73 -9.092 7.688 -6.478 1.00 0.00 N ATOM 976 CA SER A 73 -9.382 9.069 -6.812 1.00 0.00 C ATOM 977 C SER A 73 -9.479 9.857 -5.518 1.00 0.00 C ATOM 978 O SER A 73 -10.268 9.509 -4.635 1.00 0.00 O ATOM 979 CB SER A 73 -10.686 9.158 -7.607 1.00 0.00 C ATOM 980 OG SER A 73 -10.842 10.435 -8.198 1.00 0.00 O ATOM 0 H SER A 73 -9.841 7.211 -5.976 1.00 0.00 H new ATOM 0 HA SER A 73 -8.590 9.484 -7.435 1.00 0.00 H new ATOM 0 HB2 SER A 73 -10.694 8.392 -8.383 1.00 0.00 H new ATOM 0 HB3 SER A 73 -11.530 8.954 -6.949 1.00 0.00 H new ATOM 0 HG SER A 73 -11.796 10.646 -8.274 1.00 0.00 H new ATOM 985 N CYS A 74 -8.675 10.902 -5.388 1.00 0.00 N ATOM 986 CA CYS A 74 -8.667 11.678 -4.160 1.00 0.00 C ATOM 987 C CYS A 74 -8.891 13.161 -4.395 1.00 0.00 C ATOM 988 O CYS A 74 -8.497 13.713 -5.422 1.00 0.00 O ATOM 989 CB CYS A 74 -7.332 11.491 -3.456 1.00 0.00 C ATOM 990 SG CYS A 74 -6.788 9.765 -3.356 1.00 0.00 S ATOM 0 H CYS A 74 -8.029 11.228 -6.107 1.00 0.00 H new ATOM 0 HA CYS A 74 -9.492 11.314 -3.548 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -6.572 12.071 -3.980 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -7.405 11.898 -2.447 1.00 0.00 H new ATOM 994 N LYS A 75 -9.538 13.794 -3.429 1.00 0.00 N ATOM 995 CA LYS A 75 -9.799 15.221 -3.472 1.00 0.00 C ATOM 996 C LYS A 75 -8.778 15.951 -2.605 1.00 0.00 C ATOM 997 O LYS A 75 -8.353 15.429 -1.573 1.00 0.00 O ATOM 998 CB LYS A 75 -11.233 15.512 -3.003 1.00 0.00 C ATOM 999 CG LYS A 75 -11.517 16.980 -2.722 1.00 0.00 C ATOM 1000 CD LYS A 75 -11.327 17.309 -1.250 1.00 0.00 C ATOM 1001 CE LYS A 75 -11.173 18.798 -1.022 1.00 0.00 C ATOM 1002 NZ LYS A 75 -11.103 19.133 0.426 1.00 0.00 N ATOM 0 H LYS A 75 -9.896 13.331 -2.594 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.704 15.579 -4.497 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -11.930 15.159 -3.763 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -11.430 14.937 -2.098 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -10.855 17.602 -3.324 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -12.538 17.219 -3.021 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -12.181 16.941 -0.682 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -10.446 16.790 -0.872 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -10.270 19.150 -1.520 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -12.013 19.324 -1.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -10.998 20.161 0.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -11.976 18.820 0.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -10.287 18.652 0.855 1.00 0.00 H new ATOM 1012 N GLY A 76 -8.372 17.143 -3.029 1.00 0.00 N ATOM 1013 CA GLY A 76 -7.416 17.908 -2.252 1.00 0.00 C ATOM 1014 C GLY A 76 -6.627 18.883 -3.095 1.00 0.00 C ATOM 1015 O GLY A 76 -6.144 19.898 -2.597 1.00 0.00 O ATOM 0 H GLY A 76 -8.685 17.590 -3.891 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -7.944 18.454 -1.470 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -6.728 17.224 -1.755 1.00 0.00 H new ATOM 1019 N ALA A 77 -6.487 18.565 -4.375 1.00 0.00 N ATOM 1020 CA ALA A 77 -5.758 19.418 -5.304 1.00 0.00 C ATOM 1021 C ALA A 77 -6.348 20.825 -5.360 1.00 0.00 C ATOM 1022 O ALA A 77 -5.610 21.809 -5.388 1.00 0.00 O ATOM 1023 CB ALA A 77 -5.753 18.798 -6.690 1.00 0.00 C ATOM 0 H ALA A 77 -6.871 17.718 -4.795 1.00 0.00 H new ATOM 0 HA ALA A 77 -4.733 19.502 -4.942 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -5.205 19.444 -7.376 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.272 17.821 -6.650 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -6.779 18.683 -7.041 1.00 0.00 H new ATOM 1029 N ASP A 78 -7.677 20.913 -5.351 1.00 0.00 N ATOM 1030 CA ASP A 78 -8.361 22.207 -5.416 1.00 0.00 C ATOM 1031 C ASP A 78 -9.857 22.023 -5.180 1.00 0.00 C ATOM 1032 O ASP A 78 -10.687 22.460 -5.975 1.00 0.00 O ATOM 1033 CB ASP A 78 -8.118 22.868 -6.781 1.00 0.00 C ATOM 1034 CG ASP A 78 -8.521 24.330 -6.807 1.00 0.00 C ATOM 1035 OD1 ASP A 78 -7.863 25.140 -6.120 1.00 0.00 O ATOM 1036 OD2 ASP A 78 -9.481 24.680 -7.529 1.00 0.00 O ATOM 0 H ASP A 78 -8.301 20.108 -5.300 1.00 0.00 H new ATOM 0 HA ASP A 78 -7.959 22.855 -4.637 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -7.062 22.782 -7.038 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -8.677 22.328 -7.545 1.00 0.00 H new ATOM 1040 N GLY A 79 -10.194 21.349 -4.086 1.00 0.00 N ATOM 1041 CA GLY A 79 -11.591 21.096 -3.757 1.00 0.00 C ATOM 1042 C GLY A 79 -12.226 20.068 -4.677 1.00 0.00 C ATOM 1043 O GLY A 79 -13.409 19.754 -4.558 1.00 0.00 O ATOM 0 H GLY A 79 -9.524 20.971 -3.416 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -11.661 20.749 -2.726 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -12.151 22.029 -3.819 1.00 0.00 H new ATOM 1047 N GLN A 80 -11.423 19.537 -5.585 1.00 0.00 N ATOM 1048 CA GLN A 80 -11.882 18.548 -6.546 1.00 0.00 C ATOM 1049 C GLN A 80 -11.054 17.278 -6.417 1.00 0.00 C ATOM 1050 O GLN A 80 -9.931 17.309 -5.897 1.00 0.00 O ATOM 1051 CB GLN A 80 -11.760 19.108 -7.965 1.00 0.00 C ATOM 1052 CG GLN A 80 -10.328 19.407 -8.385 1.00 0.00 C ATOM 1053 CD GLN A 80 -10.244 20.085 -9.738 1.00 0.00 C ATOM 1054 OE1 GLN A 80 -11.140 20.831 -10.129 1.00 0.00 O ATOM 1055 NE2 GLN A 80 -9.171 19.823 -10.466 1.00 0.00 N ATOM 0 H GLN A 80 -10.436 19.779 -5.676 1.00 0.00 H new ATOM 0 HA GLN A 80 -12.927 18.313 -6.344 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -12.193 18.394 -8.666 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -12.349 20.023 -8.037 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -9.859 20.044 -7.635 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -9.760 18.477 -8.414 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -8.450 19.198 -10.105 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -9.065 20.246 -11.388 1.00 0.00 H new ATOM 1062 N TYR A 81 -11.612 16.171 -6.878 1.00 0.00 N ATOM 1063 CA TYR A 81 -10.927 14.889 -6.820 1.00 0.00 C ATOM 1064 C TYR A 81 -10.284 14.568 -8.164 1.00 0.00 C ATOM 1065 O TYR A 81 -10.631 15.164 -9.187 1.00 0.00 O ATOM 1066 CB TYR A 81 -11.902 13.773 -6.419 1.00 0.00 C ATOM 1067 CG TYR A 81 -13.015 13.540 -7.419 1.00 0.00 C ATOM 1068 CD1 TYR A 81 -12.833 12.675 -8.487 1.00 0.00 C ATOM 1069 CD2 TYR A 81 -14.240 14.186 -7.300 1.00 0.00 C ATOM 1070 CE1 TYR A 81 -13.829 12.458 -9.411 1.00 0.00 C ATOM 1071 CE2 TYR A 81 -15.248 13.972 -8.221 1.00 0.00 C ATOM 1072 CZ TYR A 81 -15.038 13.108 -9.275 1.00 0.00 C ATOM 1073 OH TYR A 81 -16.037 12.902 -10.202 1.00 0.00 O ATOM 0 H TYR A 81 -12.541 16.134 -7.298 1.00 0.00 H new ATOM 0 HA TYR A 81 -10.144 14.953 -6.064 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -11.344 12.846 -6.289 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -12.341 14.018 -5.452 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -11.890 12.161 -8.596 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -14.406 14.865 -6.476 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -13.665 11.783 -10.238 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -16.196 14.479 -8.116 1.00 0.00 H new ATOM 0 HH TYR A 81 -16.823 13.434 -9.959 1.00 0.00 H new ATOM 1082 N HIS A 82 -9.353 13.631 -8.157 1.00 0.00 N ATOM 1083 CA HIS A 82 -8.663 13.220 -9.367 1.00 0.00 C ATOM 1084 C HIS A 82 -8.080 11.831 -9.167 1.00 0.00 C ATOM 1085 O HIS A 82 -7.638 11.485 -8.071 1.00 0.00 O ATOM 1086 CB HIS A 82 -7.542 14.205 -9.716 1.00 0.00 C ATOM 1087 CG HIS A 82 -7.027 14.071 -11.120 1.00 0.00 C ATOM 1088 ND1 HIS A 82 -6.083 13.136 -11.501 1.00 0.00 N ATOM 1089 CD2 HIS A 82 -7.325 14.771 -12.240 1.00 0.00 C ATOM 1090 CE1 HIS A 82 -5.826 13.271 -12.788 1.00 0.00 C ATOM 1091 NE2 HIS A 82 -6.565 14.253 -13.259 1.00 0.00 N ATOM 0 H HIS A 82 -9.055 13.135 -7.317 1.00 0.00 H new ATOM 0 HA HIS A 82 -9.378 13.207 -10.190 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -7.907 15.222 -9.569 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -6.715 14.060 -9.021 1.00 0.00 H new ATOM 0 HD1 HIS A 82 -5.652 12.448 -10.883 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -8.030 15.586 -12.317 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -5.128 12.677 -13.358 1.00 0.00 H new ATOM 1099 N ASP A 83 -8.086 11.045 -10.225 1.00 0.00 N ATOM 1100 CA ASP A 83 -7.556 9.689 -10.178 1.00 0.00 C ATOM 1101 C ASP A 83 -6.039 9.712 -10.130 1.00 0.00 C ATOM 1102 O ASP A 83 -5.401 10.560 -10.756 1.00 0.00 O ATOM 1103 CB ASP A 83 -8.016 8.874 -11.393 1.00 0.00 C ATOM 1104 CG ASP A 83 -9.499 8.577 -11.374 1.00 0.00 C ATOM 1105 OD1 ASP A 83 -9.893 7.538 -10.802 1.00 0.00 O ATOM 1106 OD2 ASP A 83 -10.279 9.378 -11.936 1.00 0.00 O ATOM 0 H ASP A 83 -8.454 11.321 -11.136 1.00 0.00 H new ATOM 0 HA ASP A 83 -7.939 9.216 -9.274 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -7.771 9.420 -12.304 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -7.463 7.935 -11.425 1.00 0.00 H new ATOM 1110 N SER A 84 -5.469 8.799 -9.368 1.00 0.00 N ATOM 1111 CA SER A 84 -4.029 8.695 -9.241 1.00 0.00 C ATOM 1112 C SER A 84 -3.640 7.263 -8.916 1.00 0.00 C ATOM 1113 O SER A 84 -4.508 6.414 -8.687 1.00 0.00 O ATOM 1114 CB SER A 84 -3.523 9.650 -8.161 1.00 0.00 C ATOM 1115 OG SER A 84 -4.226 9.468 -6.946 1.00 0.00 O ATOM 0 H SER A 84 -5.988 8.112 -8.822 1.00 0.00 H new ATOM 0 HA SER A 84 -3.567 8.974 -10.188 1.00 0.00 H new ATOM 0 HB2 SER A 84 -2.458 9.485 -7.996 1.00 0.00 H new ATOM 0 HB3 SER A 84 -3.638 10.680 -8.500 1.00 0.00 H new ATOM 0 HG SER A 84 -5.009 10.057 -6.930 1.00 0.00 H new ATOM 1120 N SER A 85 -2.348 6.986 -8.912 1.00 0.00 N ATOM 1121 CA SER A 85 -1.871 5.650 -8.616 1.00 0.00 C ATOM 1122 C SER A 85 -0.575 5.697 -7.828 1.00 0.00 C ATOM 1123 O SER A 85 0.171 6.675 -7.887 1.00 0.00 O ATOM 1124 CB SER A 85 -1.655 4.858 -9.899 1.00 0.00 C ATOM 1125 OG SER A 85 -2.336 5.457 -10.993 1.00 0.00 O ATOM 0 H SER A 85 -1.614 7.666 -9.110 1.00 0.00 H new ATOM 0 HA SER A 85 -2.633 5.155 -8.013 1.00 0.00 H new ATOM 0 HB2 SER A 85 -0.589 4.800 -10.119 1.00 0.00 H new ATOM 0 HB3 SER A 85 -2.009 3.836 -9.763 1.00 0.00 H new ATOM 0 HG SER A 85 -2.179 4.930 -11.804 1.00 0.00 H new ATOM 1130 N MET A 86 -0.315 4.630 -7.100 1.00 0.00 N ATOM 1131 CA MET A 86 0.876 4.529 -6.292 1.00 0.00 C ATOM 1132 C MET A 86 1.429 3.116 -6.324 1.00 0.00 C ATOM 1133 O MET A 86 0.735 2.166 -5.973 1.00 0.00 O ATOM 1134 CB MET A 86 0.548 4.939 -4.858 1.00 0.00 C ATOM 1135 CG MET A 86 1.694 4.741 -3.879 1.00 0.00 C ATOM 1136 SD MET A 86 3.274 5.308 -4.550 1.00 0.00 S ATOM 1137 CE MET A 86 2.826 6.928 -5.175 1.00 0.00 C ATOM 0 H MET A 86 -0.923 3.813 -7.054 1.00 0.00 H new ATOM 0 HA MET A 86 1.638 5.197 -6.695 1.00 0.00 H new ATOM 0 HB2 MET A 86 0.254 5.989 -4.850 1.00 0.00 H new ATOM 0 HB3 MET A 86 -0.312 4.364 -4.515 1.00 0.00 H new ATOM 0 HG2 MET A 86 1.479 5.281 -2.957 1.00 0.00 H new ATOM 0 HG3 MET A 86 1.770 3.685 -3.620 1.00 0.00 H new ATOM 0 HE1 MET A 86 3.709 7.416 -5.588 1.00 0.00 H new ATOM 0 HE2 MET A 86 2.072 6.821 -5.955 1.00 0.00 H new ATOM 0 HE3 MET A 86 2.424 7.533 -4.362 1.00 0.00 H new ATOM 1145 N ASP A 87 2.666 2.975 -6.765 1.00 0.00 N ATOM 1146 CA ASP A 87 3.300 1.668 -6.819 1.00 0.00 C ATOM 1147 C ASP A 87 3.683 1.236 -5.412 1.00 0.00 C ATOM 1148 O ASP A 87 4.639 1.744 -4.824 1.00 0.00 O ATOM 1149 CB ASP A 87 4.537 1.701 -7.712 1.00 0.00 C ATOM 1150 CG ASP A 87 4.954 0.326 -8.193 1.00 0.00 C ATOM 1151 OD1 ASP A 87 4.511 -0.683 -7.611 1.00 0.00 O ATOM 1152 OD2 ASP A 87 5.725 0.253 -9.178 1.00 0.00 O ATOM 0 H ASP A 87 3.250 3.745 -7.090 1.00 0.00 H new ATOM 0 HA ASP A 87 2.596 0.952 -7.243 1.00 0.00 H new ATOM 0 HB2 ASP A 87 4.339 2.338 -8.574 1.00 0.00 H new ATOM 0 HB3 ASP A 87 5.363 2.154 -7.164 1.00 0.00 H new ATOM 1156 N LEU A 88 2.929 0.290 -4.886 1.00 0.00 N ATOM 1157 CA LEU A 88 3.140 -0.222 -3.541 1.00 0.00 C ATOM 1158 C LEU A 88 4.291 -1.204 -3.521 1.00 0.00 C ATOM 1159 O LEU A 88 4.722 -1.646 -2.455 1.00 0.00 O ATOM 1160 CB LEU A 88 1.875 -0.908 -3.026 1.00 0.00 C ATOM 1161 CG LEU A 88 0.563 -0.184 -3.331 1.00 0.00 C ATOM 1162 CD1 LEU A 88 -0.612 -0.958 -2.755 1.00 0.00 C ATOM 1163 CD2 LEU A 88 0.592 1.234 -2.778 1.00 0.00 C ATOM 0 H LEU A 88 2.150 -0.148 -5.379 1.00 0.00 H new ATOM 0 HA LEU A 88 3.379 0.620 -2.892 1.00 0.00 H new ATOM 0 HB2 LEU A 88 1.825 -1.909 -3.454 1.00 0.00 H new ATOM 0 HB3 LEU A 88 1.961 -1.027 -1.946 1.00 0.00 H new ATOM 0 HG LEU A 88 0.443 -0.125 -4.413 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -1.540 -0.431 -2.979 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.644 -1.954 -3.197 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.496 -1.045 -1.675 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.350 1.733 -3.005 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.733 1.200 -1.698 1.00 0.00 H new ATOM 0 HD23 LEU A 88 1.414 1.786 -3.235 1.00 0.00 H new ATOM 1174 N ASN A 89 4.767 -1.567 -4.706 1.00 0.00 N ATOM 1175 CA ASN A 89 5.884 -2.504 -4.837 1.00 0.00 C ATOM 1176 C ASN A 89 7.079 -2.059 -3.987 1.00 0.00 C ATOM 1177 O ASN A 89 7.867 -2.887 -3.529 1.00 0.00 O ATOM 1178 CB ASN A 89 6.288 -2.641 -6.310 1.00 0.00 C ATOM 1179 CG ASN A 89 7.427 -3.616 -6.533 1.00 0.00 C ATOM 1180 OD1 ASN A 89 8.592 -3.232 -6.543 1.00 0.00 O ATOM 1181 ND2 ASN A 89 7.096 -4.882 -6.744 1.00 0.00 N ATOM 0 H ASN A 89 4.398 -1.227 -5.594 1.00 0.00 H new ATOM 0 HA ASN A 89 5.560 -3.478 -4.471 1.00 0.00 H new ATOM 0 HB2 ASN A 89 5.423 -2.966 -6.888 1.00 0.00 H new ATOM 0 HB3 ASN A 89 6.577 -1.662 -6.692 1.00 0.00 H new ATOM 0 HD21 ASN A 89 7.822 -5.576 -6.923 1.00 0.00 H new ATOM 0 HD22 ASN A 89 6.115 -5.162 -6.728 1.00 0.00 H new ATOM 1187 N TYR A 90 7.187 -0.756 -3.734 1.00 0.00 N ATOM 1188 CA TYR A 90 8.283 -0.242 -2.928 1.00 0.00 C ATOM 1189 C TYR A 90 7.770 0.383 -1.635 1.00 0.00 C ATOM 1190 O TYR A 90 8.477 1.151 -0.982 1.00 0.00 O ATOM 1191 CB TYR A 90 9.151 0.747 -3.723 1.00 0.00 C ATOM 1192 CG TYR A 90 8.404 1.905 -4.356 1.00 0.00 C ATOM 1193 CD1 TYR A 90 8.139 3.065 -3.639 1.00 0.00 C ATOM 1194 CD2 TYR A 90 7.988 1.844 -5.680 1.00 0.00 C ATOM 1195 CE1 TYR A 90 7.475 4.127 -4.222 1.00 0.00 C ATOM 1196 CE2 TYR A 90 7.329 2.904 -6.269 1.00 0.00 C ATOM 1197 CZ TYR A 90 7.073 4.043 -5.536 1.00 0.00 C ATOM 1198 OH TYR A 90 6.417 5.104 -6.122 1.00 0.00 O ATOM 0 H TYR A 90 6.536 -0.048 -4.072 1.00 0.00 H new ATOM 0 HA TYR A 90 8.917 -1.087 -2.658 1.00 0.00 H new ATOM 0 HB2 TYR A 90 9.915 1.150 -3.058 1.00 0.00 H new ATOM 0 HB3 TYR A 90 9.670 0.198 -4.509 1.00 0.00 H new ATOM 0 HD1 TYR A 90 8.457 3.138 -2.609 1.00 0.00 H new ATOM 0 HD2 TYR A 90 8.183 0.953 -6.258 1.00 0.00 H new ATOM 0 HE1 TYR A 90 7.272 5.020 -3.649 1.00 0.00 H new ATOM 0 HE2 TYR A 90 7.015 2.841 -7.300 1.00 0.00 H new ATOM 0 HH TYR A 90 6.168 5.755 -5.433 1.00 0.00 H new ATOM 1207 N VAL A 91 6.534 0.053 -1.268 1.00 0.00 N ATOM 1208 CA VAL A 91 5.952 0.572 -0.036 1.00 0.00 C ATOM 1209 C VAL A 91 5.459 -0.576 0.849 1.00 0.00 C ATOM 1210 O VAL A 91 5.134 -0.379 2.020 1.00 0.00 O ATOM 1211 CB VAL A 91 4.825 1.609 -0.292 1.00 0.00 C ATOM 1212 CG1 VAL A 91 5.169 2.503 -1.455 1.00 0.00 C ATOM 1213 CG2 VAL A 91 3.469 0.984 -0.507 1.00 0.00 C ATOM 0 H VAL A 91 5.922 -0.565 -1.801 1.00 0.00 H new ATOM 0 HA VAL A 91 6.743 1.106 0.491 1.00 0.00 H new ATOM 0 HB VAL A 91 4.758 2.203 0.619 1.00 0.00 H new ATOM 0 HG11 VAL A 91 4.364 3.220 -1.613 1.00 0.00 H new ATOM 0 HG12 VAL A 91 6.094 3.038 -1.241 1.00 0.00 H new ATOM 0 HG13 VAL A 91 5.298 1.899 -2.353 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.731 1.767 -0.680 1.00 0.00 H new ATOM 0 HG22 VAL A 91 3.506 0.323 -1.373 1.00 0.00 H new ATOM 0 HG23 VAL A 91 3.189 0.410 0.376 1.00 0.00 H new ATOM 1223 N VAL A 92 5.412 -1.780 0.274 1.00 0.00 N ATOM 1224 CA VAL A 92 5.000 -2.979 1.001 1.00 0.00 C ATOM 1225 C VAL A 92 5.976 -4.108 0.702 1.00 0.00 C ATOM 1226 O VAL A 92 6.474 -4.220 -0.420 1.00 0.00 O ATOM 1227 CB VAL A 92 3.591 -3.484 0.608 1.00 0.00 C ATOM 1228 CG1 VAL A 92 3.021 -4.390 1.689 1.00 0.00 C ATOM 1229 CG2 VAL A 92 2.641 -2.348 0.311 1.00 0.00 C ATOM 0 H VAL A 92 5.657 -1.949 -0.702 1.00 0.00 H new ATOM 0 HA VAL A 92 4.986 -2.703 2.056 1.00 0.00 H new ATOM 0 HB VAL A 92 3.702 -4.061 -0.310 1.00 0.00 H new ATOM 0 HG11 VAL A 92 2.030 -4.733 1.391 1.00 0.00 H new ATOM 0 HG12 VAL A 92 3.677 -5.250 1.826 1.00 0.00 H new ATOM 0 HG13 VAL A 92 2.947 -3.837 2.625 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.665 -2.751 0.040 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.540 -1.717 1.194 1.00 0.00 H new ATOM 0 HG23 VAL A 92 3.031 -1.755 -0.516 1.00 0.00 H new ATOM 1239 N GLY A 93 6.238 -4.945 1.694 1.00 0.00 N ATOM 1240 CA GLY A 93 7.137 -6.062 1.508 1.00 0.00 C ATOM 1241 C GLY A 93 6.620 -7.323 2.164 1.00 0.00 C ATOM 1242 O GLY A 93 5.594 -7.299 2.850 1.00 0.00 O ATOM 0 H GLY A 93 5.841 -4.869 2.630 1.00 0.00 H new ATOM 0 HA2 GLY A 93 7.278 -6.240 0.442 1.00 0.00 H new ATOM 0 HA3 GLY A 93 8.114 -5.813 1.921 1.00 0.00 H new ATOM 1246 N ASN A 94 7.322 -8.423 1.954 1.00 0.00 N ATOM 1247 CA ASN A 94 6.933 -9.701 2.528 1.00 0.00 C ATOM 1248 C ASN A 94 8.061 -10.270 3.372 1.00 0.00 C ATOM 1249 O ASN A 94 9.223 -10.263 2.961 1.00 0.00 O ATOM 1250 CB ASN A 94 6.567 -10.695 1.423 1.00 0.00 C ATOM 1251 CG ASN A 94 6.273 -12.086 1.960 1.00 0.00 C ATOM 1252 OD1 ASN A 94 5.737 -12.251 3.059 1.00 0.00 O ATOM 1253 ND2 ASN A 94 6.640 -13.099 1.195 1.00 0.00 N ATOM 0 H ASN A 94 8.169 -8.457 1.387 1.00 0.00 H new ATOM 0 HA ASN A 94 6.062 -9.537 3.162 1.00 0.00 H new ATOM 0 HB2 ASN A 94 5.695 -10.327 0.883 1.00 0.00 H new ATOM 0 HB3 ASN A 94 7.386 -10.752 0.706 1.00 0.00 H new ATOM 0 HD21 ASN A 94 6.483 -14.057 1.507 1.00 0.00 H new ATOM 0 HD22 ASN A 94 7.081 -12.923 0.292 1.00 0.00 H new ATOM 1259 N SER A 95 7.716 -10.752 4.550 1.00 0.00 N ATOM 1260 CA SER A 95 8.691 -11.337 5.444 1.00 0.00 C ATOM 1261 C SER A 95 8.051 -12.484 6.207 1.00 0.00 C ATOM 1262 O SER A 95 7.252 -12.259 7.117 1.00 0.00 O ATOM 1263 CB SER A 95 9.210 -10.290 6.424 1.00 0.00 C ATOM 1264 OG SER A 95 10.442 -10.688 7.006 1.00 0.00 O ATOM 0 H SER A 95 6.762 -10.749 4.910 1.00 0.00 H new ATOM 0 HA SER A 95 9.531 -11.711 4.858 1.00 0.00 H new ATOM 0 HB2 SER A 95 9.341 -9.339 5.907 1.00 0.00 H new ATOM 0 HB3 SER A 95 8.471 -10.127 7.209 1.00 0.00 H new ATOM 0 HG SER A 95 10.749 -9.995 7.628 1.00 0.00 H new ATOM 1269 N TYR A 96 8.389 -13.708 5.810 1.00 0.00 N ATOM 1270 CA TYR A 96 7.866 -14.914 6.449 1.00 0.00 C ATOM 1271 C TYR A 96 6.347 -14.992 6.315 1.00 0.00 C ATOM 1272 O TYR A 96 5.646 -15.336 7.267 1.00 0.00 O ATOM 1273 CB TYR A 96 8.278 -14.952 7.927 1.00 0.00 C ATOM 1274 CG TYR A 96 9.778 -14.963 8.134 1.00 0.00 C ATOM 1275 CD1 TYR A 96 10.497 -13.775 8.191 1.00 0.00 C ATOM 1276 CD2 TYR A 96 10.476 -16.157 8.262 1.00 0.00 C ATOM 1277 CE1 TYR A 96 11.865 -13.776 8.365 1.00 0.00 C ATOM 1278 CE2 TYR A 96 11.846 -16.165 8.442 1.00 0.00 C ATOM 1279 CZ TYR A 96 12.534 -14.971 8.490 1.00 0.00 C ATOM 1280 OH TYR A 96 13.898 -14.969 8.662 1.00 0.00 O ATOM 0 H TYR A 96 9.031 -13.892 5.039 1.00 0.00 H new ATOM 0 HA TYR A 96 8.292 -15.780 5.943 1.00 0.00 H new ATOM 0 HB2 TYR A 96 7.855 -14.086 8.437 1.00 0.00 H new ATOM 0 HB3 TYR A 96 7.848 -15.838 8.394 1.00 0.00 H new ATOM 0 HD1 TYR A 96 9.975 -12.834 8.097 1.00 0.00 H new ATOM 0 HD2 TYR A 96 9.940 -17.094 8.220 1.00 0.00 H new ATOM 0 HE1 TYR A 96 12.408 -12.843 8.403 1.00 0.00 H new ATOM 0 HE2 TYR A 96 12.375 -17.101 8.544 1.00 0.00 H new ATOM 0 HH TYR A 96 14.220 -15.892 8.735 1.00 0.00 H new ATOM 1289 N GLY A 97 5.853 -14.697 5.110 1.00 0.00 N ATOM 1290 CA GLY A 97 4.423 -14.727 4.848 1.00 0.00 C ATOM 1291 C GLY A 97 3.644 -13.812 5.771 1.00 0.00 C ATOM 1292 O GLY A 97 2.511 -14.118 6.152 1.00 0.00 O ATOM 0 H GLY A 97 6.425 -14.436 4.307 1.00 0.00 H new ATOM 0 HA2 GLY A 97 4.240 -14.435 3.814 1.00 0.00 H new ATOM 0 HA3 GLY A 97 4.058 -15.748 4.961 1.00 0.00 H new ATOM 1296 N TYR A 98 4.250 -12.688 6.123 1.00 0.00 N ATOM 1297 CA TYR A 98 3.626 -11.734 7.020 1.00 0.00 C ATOM 1298 C TYR A 98 3.718 -10.329 6.442 1.00 0.00 C ATOM 1299 O TYR A 98 4.714 -9.979 5.803 1.00 0.00 O ATOM 1300 CB TYR A 98 4.310 -11.794 8.389 1.00 0.00 C ATOM 1301 CG TYR A 98 3.609 -10.985 9.456 1.00 0.00 C ATOM 1302 CD1 TYR A 98 2.296 -11.267 9.814 1.00 0.00 C ATOM 1303 CD2 TYR A 98 4.258 -9.944 10.103 1.00 0.00 C ATOM 1304 CE1 TYR A 98 1.652 -10.533 10.791 1.00 0.00 C ATOM 1305 CE2 TYR A 98 3.623 -9.207 11.082 1.00 0.00 C ATOM 1306 CZ TYR A 98 2.320 -9.505 11.423 1.00 0.00 C ATOM 1307 OH TYR A 98 1.682 -8.774 12.399 1.00 0.00 O ATOM 0 H TYR A 98 5.178 -12.416 5.798 1.00 0.00 H new ATOM 0 HA TYR A 98 2.573 -11.988 7.137 1.00 0.00 H new ATOM 0 HB2 TYR A 98 4.366 -12.834 8.712 1.00 0.00 H new ATOM 0 HB3 TYR A 98 5.335 -11.436 8.289 1.00 0.00 H new ATOM 0 HD1 TYR A 98 1.771 -12.072 9.321 1.00 0.00 H new ATOM 0 HD2 TYR A 98 5.277 -9.706 9.836 1.00 0.00 H new ATOM 0 HE1 TYR A 98 0.631 -10.763 11.059 1.00 0.00 H new ATOM 0 HE2 TYR A 98 4.143 -8.401 11.578 1.00 0.00 H new ATOM 0 HH TYR A 98 2.291 -8.088 12.745 1.00 0.00 H new ATOM 1316 N MET A 99 2.662 -9.544 6.649 1.00 0.00 N ATOM 1317 CA MET A 99 2.608 -8.169 6.157 1.00 0.00 C ATOM 1318 C MET A 99 3.746 -7.318 6.725 1.00 0.00 C ATOM 1319 O MET A 99 3.822 -7.073 7.930 1.00 0.00 O ATOM 1320 CB MET A 99 1.260 -7.514 6.498 1.00 0.00 C ATOM 1321 CG MET A 99 0.977 -7.403 7.993 1.00 0.00 C ATOM 1322 SD MET A 99 -0.334 -6.223 8.376 1.00 0.00 S ATOM 1323 CE MET A 99 -0.308 -6.257 10.168 1.00 0.00 C ATOM 0 H MET A 99 1.828 -9.839 7.157 1.00 0.00 H new ATOM 0 HA MET A 99 2.720 -8.217 5.074 1.00 0.00 H new ATOM 0 HB2 MET A 99 1.233 -6.516 6.060 1.00 0.00 H new ATOM 0 HB3 MET A 99 0.461 -8.089 6.030 1.00 0.00 H new ATOM 0 HG2 MET A 99 0.699 -8.384 8.379 1.00 0.00 H new ATOM 0 HG3 MET A 99 1.890 -7.104 8.509 1.00 0.00 H new ATOM 0 HE1 MET A 99 -1.066 -5.576 10.556 1.00 0.00 H new ATOM 0 HE2 MET A 99 -0.517 -7.269 10.516 1.00 0.00 H new ATOM 0 HE3 MET A 99 0.675 -5.947 10.524 1.00 0.00 H new ATOM 1331 N GLU A 100 4.631 -6.875 5.846 1.00 0.00 N ATOM 1332 CA GLU A 100 5.752 -6.034 6.239 1.00 0.00 C ATOM 1333 C GLU A 100 5.907 -4.874 5.263 1.00 0.00 C ATOM 1334 O GLU A 100 6.814 -4.860 4.438 1.00 0.00 O ATOM 1335 CB GLU A 100 7.036 -6.860 6.300 1.00 0.00 C ATOM 1336 CG GLU A 100 7.111 -7.761 7.520 1.00 0.00 C ATOM 1337 CD GLU A 100 7.471 -7.005 8.782 1.00 0.00 C ATOM 1338 OE1 GLU A 100 6.611 -6.280 9.323 1.00 0.00 O ATOM 1339 OE2 GLU A 100 8.626 -7.132 9.242 1.00 0.00 O ATOM 0 H GLU A 100 4.594 -7.085 4.849 1.00 0.00 H new ATOM 0 HA GLU A 100 5.556 -5.627 7.231 1.00 0.00 H new ATOM 0 HB2 GLU A 100 7.110 -7.471 5.400 1.00 0.00 H new ATOM 0 HB3 GLU A 100 7.893 -6.187 6.300 1.00 0.00 H new ATOM 0 HG2 GLU A 100 6.151 -8.257 7.660 1.00 0.00 H new ATOM 0 HG3 GLU A 100 7.851 -8.542 7.345 1.00 0.00 H new ATOM 1344 N PRO A 101 4.998 -3.891 5.332 1.00 0.00 N ATOM 1345 CA PRO A 101 5.032 -2.727 4.448 1.00 0.00 C ATOM 1346 C PRO A 101 6.194 -1.790 4.759 1.00 0.00 C ATOM 1347 O PRO A 101 6.112 -0.936 5.648 1.00 0.00 O ATOM 1348 CB PRO A 101 3.699 -2.034 4.711 1.00 0.00 C ATOM 1349 CG PRO A 101 3.307 -2.461 6.083 1.00 0.00 C ATOM 1350 CD PRO A 101 3.874 -3.838 6.281 1.00 0.00 C ATOM 0 HA PRO A 101 5.175 -3.016 3.407 1.00 0.00 H new ATOM 0 HB2 PRO A 101 3.798 -0.950 4.648 1.00 0.00 H new ATOM 0 HB3 PRO A 101 2.949 -2.329 3.977 1.00 0.00 H new ATOM 0 HG2 PRO A 101 3.697 -1.770 6.830 1.00 0.00 H new ATOM 0 HG3 PRO A 101 2.222 -2.469 6.192 1.00 0.00 H new ATOM 0 HD2 PRO A 101 4.209 -3.990 7.307 1.00 0.00 H new ATOM 0 HD3 PRO A 101 3.134 -4.610 6.069 1.00 0.00 H new ATOM 1355 N CYS A 102 7.271 -1.963 4.023 1.00 0.00 N ATOM 1356 CA CYS A 102 8.456 -1.146 4.194 1.00 0.00 C ATOM 1357 C CYS A 102 8.581 -0.125 3.076 1.00 0.00 C ATOM 1358 O CYS A 102 8.545 -0.464 1.894 1.00 0.00 O ATOM 1359 CB CYS A 102 9.705 -2.021 4.260 1.00 0.00 C ATOM 1360 SG CYS A 102 9.644 -3.492 3.176 1.00 0.00 S ATOM 0 H CYS A 102 7.351 -2.670 3.292 1.00 0.00 H new ATOM 0 HA CYS A 102 8.360 -0.606 5.136 1.00 0.00 H new ATOM 0 HB2 CYS A 102 10.572 -1.419 3.989 1.00 0.00 H new ATOM 0 HB3 CYS A 102 9.853 -2.347 5.289 1.00 0.00 H new