USER MOD reduce.3.24.130724 H: found=0, std=0, add=757, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 757 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 50 ASN : amide:sc= 0.989 X(o=1.7,f=1.6) USER MOD Set 1.2: A 110 TYR OH : rot 101:sc= 0.537 USER MOD Set 1.3: A 112 HIS : no HE2:sc= 0.19 K(o=1.7,f=-0.35!) USER MOD Set 2.1: A 68 HIS : no HE2:sc= 1.21 K(o=0.79,f=-4.9!) USER MOD Set 2.2: A 88 TYR OH : rot 180:sc= -0.412 USER MOD Set 3.1: A 76 ASN : amide:sc= 2.02 K(o=2.9,f=1.5) USER MOD Set 3.2: A 82 THR OG1 : rot -24:sc= 0.92 USER MOD Set 4.1: A 60 GLN : amide:sc= -0.535 K(o=-0.53,f=-7.8!) USER MOD Set 4.2: A 62 SER OG : rot 180:sc= 0 USER MOD Set 5.1: A 19 TYR OH : rot 30:sc= 0.34 USER MOD Set 5.2: A 84 SER OG : rot -125:sc= 0.251 USER MOD Set 6.1: A 11 TYR OH : rot 171:sc= 1.01 USER MOD Set 6.2: A 17 THR OG1 : rot 159:sc= 1.92 USER MOD Set 6.3: A 34 ASN : amide:sc= 0 X(o=2.9,f=2.9) USER MOD Single : A 1 GLY N :NH3+ -119:sc= 0.094 (180deg=0) USER MOD Single : A 2 SER OG : rot 19:sc= 0.798 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 SER OG : rot -10:sc= 0.871 USER MOD Single : A 9 ASN : amide:sc= 1.27 K(o=1.3,f=-5.5!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.00203 USER MOD Single : A 15 GLN : amide:sc= -0.0929 X(o=-0.093,f=0) USER MOD Single : A 16 CYS SG : rot -140:sc= -5.61! USER MOD Single : A 21 TYR OH : rot 180:sc= -0.285 USER MOD Single : A 23 LYS NZ :NH3+ -113:sc= 1.25 (180deg=-0.142) USER MOD Single : A 30 SER OG : rot -23:sc= 0.41 USER MOD Single : A 31 THR OG1 : rot -52:sc= 0.508 USER MOD Single : A 36 ASN : amide:sc= -0.274 K(o=-0.27,f=-5.2!) USER MOD Single : A 37 ASN : amide:sc= -0.283 X(o=-0.28,f=-0.77) USER MOD Single : A 43 GLN : amide:sc= -0.495 X(o=-0.49,f=-0.41) USER MOD Single : A 48 THR OG1 : rot 116:sc= 1.22 USER MOD Single : A 51 HIS : no HE2:sc= 0.556 K(o=0.56,f=-3.3!) USER MOD Single : A 52 THR OG1 : rot -13:sc= 0.871 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -172:sc=-0.00729 (180deg=-0.0862) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc=-0.000905 USER MOD Single : A 77 SER OG : rot 180:sc= 0.0739 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 86 MET CE :methyl -120:sc= -0.116 (180deg=-2.07) USER MOD Single : A 87 ASN : amide:sc= -1.66! C(o=-1.7!,f=-5.9!) USER MOD Single : A 89 SER OG : rot -2:sc= 0.351! USER MOD Single : A 94 SER OG : rot -170:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 107 ASN : amide:sc= -0.546 X(o=-0.55,f=-0.59) USER MOD Single : A 108 TYR OH : rot 180:sc= 0.392 USER MOD Single : A 109 ASN : amide:sc= -0.271 K(o=-0.27,f=-2.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -31.013 -9.104 2.871 1.00 0.00 N ATOM 2 CA GLY A 1 -30.160 -8.839 4.051 1.00 0.00 C ATOM 3 C GLY A 1 -28.764 -8.419 3.653 1.00 0.00 C ATOM 4 O GLY A 1 -28.486 -8.225 2.468 1.00 0.00 O ATOM 0 H1 GLY A 1 -31.825 -8.454 2.876 1.00 0.00 H new ATOM 0 H2 GLY A 1 -30.459 -8.960 2.003 1.00 0.00 H new ATOM 0 H3 GLY A 1 -31.356 -10.085 2.904 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -30.615 -8.058 4.660 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -30.107 -9.735 4.670 1.00 0.00 H new ATOM 10 N SER A 2 -27.882 -8.300 4.647 1.00 0.00 N ATOM 11 CA SER A 2 -26.496 -7.868 4.445 1.00 0.00 C ATOM 12 C SER A 2 -26.419 -6.607 3.583 1.00 0.00 C ATOM 13 O SER A 2 -25.624 -6.529 2.645 1.00 0.00 O ATOM 14 CB SER A 2 -25.647 -9.001 3.837 1.00 0.00 C ATOM 15 OG SER A 2 -26.207 -9.508 2.630 1.00 0.00 O ATOM 0 H SER A 2 -28.110 -8.502 5.621 1.00 0.00 H new ATOM 0 HA SER A 2 -26.085 -7.623 5.424 1.00 0.00 H new ATOM 0 HB2 SER A 2 -24.640 -8.632 3.641 1.00 0.00 H new ATOM 0 HB3 SER A 2 -25.555 -9.811 4.560 1.00 0.00 H new ATOM 0 HG SER A 2 -26.846 -8.859 2.268 1.00 0.00 H new ATOM 21 N SER A 3 -27.249 -5.626 3.904 1.00 0.00 N ATOM 22 CA SER A 3 -27.258 -4.371 3.174 1.00 0.00 C ATOM 23 C SER A 3 -26.164 -3.444 3.690 1.00 0.00 C ATOM 24 O SER A 3 -26.221 -2.963 4.821 1.00 0.00 O ATOM 25 CB SER A 3 -28.626 -3.701 3.293 1.00 0.00 C ATOM 26 OG SER A 3 -29.648 -4.549 2.795 1.00 0.00 O ATOM 0 H SER A 3 -27.925 -5.677 4.666 1.00 0.00 H new ATOM 0 HA SER A 3 -27.062 -4.580 2.122 1.00 0.00 H new ATOM 0 HB2 SER A 3 -28.827 -3.456 4.336 1.00 0.00 H new ATOM 0 HB3 SER A 3 -28.625 -2.762 2.740 1.00 0.00 H new ATOM 0 HG SER A 3 -30.516 -4.102 2.882 1.00 0.00 H new ATOM 32 N ILE A 4 -25.164 -3.215 2.860 1.00 0.00 N ATOM 33 CA ILE A 4 -24.054 -2.348 3.216 1.00 0.00 C ATOM 34 C ILE A 4 -24.051 -1.112 2.318 1.00 0.00 C ATOM 35 O ILE A 4 -24.373 -1.202 1.130 1.00 0.00 O ATOM 36 CB ILE A 4 -22.705 -3.103 3.104 1.00 0.00 C ATOM 37 CG1 ILE A 4 -21.537 -2.190 3.487 1.00 0.00 C ATOM 38 CG2 ILE A 4 -22.515 -3.658 1.697 1.00 0.00 C ATOM 39 CD1 ILE A 4 -20.190 -2.885 3.487 1.00 0.00 C ATOM 0 H ILE A 4 -25.097 -3.621 1.927 1.00 0.00 H new ATOM 0 HA ILE A 4 -24.178 -2.033 4.252 1.00 0.00 H new ATOM 0 HB ILE A 4 -22.725 -3.940 3.802 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -21.502 -1.350 2.793 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -21.722 -1.776 4.478 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -21.562 -4.184 1.639 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -23.326 -4.349 1.466 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -22.521 -2.838 0.979 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -19.413 -2.174 3.768 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -20.205 -3.707 4.202 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -19.982 -3.275 2.491 1.00 0.00 H new ATOM 51 N SER A 5 -23.717 0.039 2.885 1.00 0.00 N ATOM 52 CA SER A 5 -23.689 1.275 2.123 1.00 0.00 C ATOM 53 C SER A 5 -22.323 1.447 1.472 1.00 0.00 C ATOM 54 O SER A 5 -21.387 1.947 2.095 1.00 0.00 O ATOM 55 CB SER A 5 -24.017 2.478 3.017 1.00 0.00 C ATOM 56 OG SER A 5 -24.099 3.673 2.255 1.00 0.00 O ATOM 0 H SER A 5 -23.463 0.140 3.868 1.00 0.00 H new ATOM 0 HA SER A 5 -24.450 1.222 1.344 1.00 0.00 H new ATOM 0 HB2 SER A 5 -24.962 2.306 3.532 1.00 0.00 H new ATOM 0 HB3 SER A 5 -23.251 2.584 3.785 1.00 0.00 H new ATOM 0 HG SER A 5 -24.310 4.425 2.847 1.00 0.00 H new ATOM 62 N HIS A 6 -22.228 1.012 0.216 1.00 0.00 N ATOM 63 CA HIS A 6 -20.974 1.018 -0.540 1.00 0.00 C ATOM 64 C HIS A 6 -19.962 0.066 0.089 1.00 0.00 C ATOM 65 O HIS A 6 -19.816 -1.073 -0.354 1.00 0.00 O ATOM 66 CB HIS A 6 -20.386 2.434 -0.661 1.00 0.00 C ATOM 67 CG HIS A 6 -21.241 3.376 -1.454 1.00 0.00 C ATOM 68 ND1 HIS A 6 -21.410 3.268 -2.816 1.00 0.00 N ATOM 69 CD2 HIS A 6 -21.988 4.439 -1.071 1.00 0.00 C ATOM 70 CE1 HIS A 6 -22.223 4.219 -3.235 1.00 0.00 C ATOM 71 NE2 HIS A 6 -22.590 4.945 -2.198 1.00 0.00 N ATOM 0 H HIS A 6 -23.021 0.644 -0.309 1.00 0.00 H new ATOM 0 HA HIS A 6 -21.199 0.671 -1.549 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -20.240 2.844 0.338 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -19.402 2.371 -1.126 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -22.091 4.819 -0.065 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -22.535 4.376 -4.257 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -23.217 5.749 -2.227 1.00 0.00 H new ATOM 80 N SER A 7 -19.285 0.528 1.133 1.00 0.00 N ATOM 81 CA SER A 7 -18.300 -0.273 1.847 1.00 0.00 C ATOM 82 C SER A 7 -18.023 0.350 3.211 1.00 0.00 C ATOM 83 O SER A 7 -18.558 1.414 3.529 1.00 0.00 O ATOM 84 CB SER A 7 -16.990 -0.370 1.050 1.00 0.00 C ATOM 85 OG SER A 7 -17.181 -1.038 -0.185 1.00 0.00 O ATOM 0 H SER A 7 -19.404 1.469 1.508 1.00 0.00 H new ATOM 0 HA SER A 7 -18.702 -1.278 1.975 1.00 0.00 H new ATOM 0 HB2 SER A 7 -16.600 0.631 0.867 1.00 0.00 H new ATOM 0 HB3 SER A 7 -16.243 -0.901 1.640 1.00 0.00 H new ATOM 0 HG SER A 7 -18.074 -1.442 -0.204 1.00 0.00 H new ATOM 91 N GLY A 8 -17.199 -0.312 4.017 1.00 0.00 N ATOM 92 CA GLY A 8 -16.797 0.260 5.290 1.00 0.00 C ATOM 93 C GLY A 8 -15.846 1.421 5.089 1.00 0.00 C ATOM 94 O GLY A 8 -15.858 2.398 5.841 1.00 0.00 O ATOM 0 H GLY A 8 -16.804 -1.230 3.813 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -17.678 0.598 5.835 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -16.318 -0.505 5.901 1.00 0.00 H new ATOM 98 N ASN A 9 -15.022 1.312 4.059 1.00 0.00 N ATOM 99 CA ASN A 9 -14.105 2.374 3.683 1.00 0.00 C ATOM 100 C ASN A 9 -14.613 3.080 2.429 1.00 0.00 C ATOM 101 O ASN A 9 -15.715 2.804 1.958 1.00 0.00 O ATOM 102 CB ASN A 9 -12.691 1.819 3.472 1.00 0.00 C ATOM 103 CG ASN A 9 -12.623 0.739 2.408 1.00 0.00 C ATOM 104 OD1 ASN A 9 -13.610 0.066 2.117 1.00 0.00 O ATOM 105 ND2 ASN A 9 -11.444 0.545 1.839 1.00 0.00 N ATOM 0 H ASN A 9 -14.971 0.487 3.462 1.00 0.00 H new ATOM 0 HA ASN A 9 -14.056 3.102 4.492 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -12.025 2.636 3.194 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -12.322 1.414 4.415 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -11.332 -0.183 1.133 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -10.647 1.123 2.106 1.00 0.00 H new ATOM 112 N LEU A 10 -13.813 3.992 1.896 1.00 0.00 N ATOM 113 CA LEU A 10 -14.254 4.849 0.801 1.00 0.00 C ATOM 114 C LEU A 10 -13.970 4.243 -0.568 1.00 0.00 C ATOM 115 O LEU A 10 -14.621 4.587 -1.556 1.00 0.00 O ATOM 116 CB LEU A 10 -13.540 6.190 0.896 1.00 0.00 C ATOM 117 CG LEU A 10 -13.766 6.963 2.200 1.00 0.00 C ATOM 118 CD1 LEU A 10 -13.000 8.275 2.181 1.00 0.00 C ATOM 119 CD2 LEU A 10 -15.252 7.216 2.424 1.00 0.00 C ATOM 0 H LEU A 10 -12.855 4.159 2.203 1.00 0.00 H new ATOM 0 HA LEU A 10 -15.333 4.966 0.897 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -12.470 6.022 0.773 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -13.862 6.814 0.063 1.00 0.00 H new ATOM 0 HG LEU A 10 -13.393 6.357 3.026 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -13.172 8.810 3.115 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -11.935 8.073 2.070 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -13.343 8.884 1.345 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -15.391 7.766 3.355 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -15.651 7.800 1.594 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -15.778 6.263 2.483 1.00 0.00 H new ATOM 131 N TYR A 11 -12.997 3.353 -0.629 1.00 0.00 N ATOM 132 CA TYR A 11 -12.475 2.897 -1.907 1.00 0.00 C ATOM 133 C TYR A 11 -13.405 1.869 -2.558 1.00 0.00 C ATOM 134 O TYR A 11 -14.397 1.459 -1.961 1.00 0.00 O ATOM 135 CB TYR A 11 -11.074 2.321 -1.714 1.00 0.00 C ATOM 136 CG TYR A 11 -10.141 2.578 -2.878 1.00 0.00 C ATOM 137 CD1 TYR A 11 -10.080 1.705 -3.956 1.00 0.00 C ATOM 138 CD2 TYR A 11 -9.320 3.697 -2.892 1.00 0.00 C ATOM 139 CE1 TYR A 11 -9.226 1.939 -5.012 1.00 0.00 C ATOM 140 CE2 TYR A 11 -8.466 3.938 -3.949 1.00 0.00 C ATOM 141 CZ TYR A 11 -8.425 3.057 -5.005 1.00 0.00 C ATOM 142 OH TYR A 11 -7.561 3.280 -6.048 1.00 0.00 O ATOM 0 H TYR A 11 -12.553 2.932 0.187 1.00 0.00 H new ATOM 0 HA TYR A 11 -12.418 3.751 -2.582 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -10.638 2.747 -0.810 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -11.152 1.246 -1.554 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -10.712 0.829 -3.967 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -9.350 4.389 -2.064 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -9.186 1.248 -5.841 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -7.833 4.813 -3.947 1.00 0.00 H new ATOM 0 HH TYR A 11 -7.178 4.178 -5.969 1.00 0.00 H new ATOM 152 N THR A 12 -13.066 1.477 -3.786 1.00 0.00 N ATOM 153 CA THR A 12 -13.859 0.544 -4.584 1.00 0.00 C ATOM 154 C THR A 12 -14.104 -0.786 -3.864 1.00 0.00 C ATOM 155 O THR A 12 -15.087 -0.931 -3.141 1.00 0.00 O ATOM 156 CB THR A 12 -13.150 0.279 -5.930 1.00 0.00 C ATOM 157 OG1 THR A 12 -12.817 1.528 -6.543 1.00 0.00 O ATOM 158 CG2 THR A 12 -14.015 -0.538 -6.880 1.00 0.00 C ATOM 0 H THR A 12 -12.223 1.803 -4.259 1.00 0.00 H new ATOM 0 HA THR A 12 -14.831 1.008 -4.751 1.00 0.00 H new ATOM 0 HB THR A 12 -12.248 -0.298 -5.725 1.00 0.00 H new ATOM 0 HG1 THR A 12 -12.365 1.363 -7.397 1.00 0.00 H new ATOM 0 HG21 THR A 12 -13.477 -0.700 -7.814 1.00 0.00 H new ATOM 0 HG22 THR A 12 -14.248 -1.500 -6.424 1.00 0.00 H new ATOM 0 HG23 THR A 12 -14.940 0.001 -7.084 1.00 0.00 H new ATOM 166 N ALA A 13 -13.200 -1.746 -4.063 1.00 0.00 N ATOM 167 CA ALA A 13 -13.342 -3.076 -3.491 1.00 0.00 C ATOM 168 C ALA A 13 -12.175 -3.961 -3.897 1.00 0.00 C ATOM 169 O ALA A 13 -11.827 -4.042 -5.074 1.00 0.00 O ATOM 170 CB ALA A 13 -14.649 -3.726 -3.932 1.00 0.00 C ATOM 0 H ALA A 13 -12.356 -1.620 -4.622 1.00 0.00 H new ATOM 0 HA ALA A 13 -13.352 -2.968 -2.406 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -14.729 -4.719 -3.490 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -15.489 -3.114 -3.603 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -14.665 -3.810 -5.019 1.00 0.00 H new ATOM 176 N GLY A 14 -11.545 -4.581 -2.910 1.00 0.00 N ATOM 177 CA GLY A 14 -10.524 -5.582 -3.170 1.00 0.00 C ATOM 178 C GLY A 14 -9.189 -5.019 -3.624 1.00 0.00 C ATOM 179 O GLY A 14 -8.195 -5.723 -3.598 1.00 0.00 O ATOM 0 H GLY A 14 -11.724 -4.407 -1.921 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -10.368 -6.167 -2.263 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -10.892 -6.268 -3.932 1.00 0.00 H new ATOM 183 N GLN A 15 -9.160 -3.751 -4.014 1.00 0.00 N ATOM 184 CA GLN A 15 -7.959 -3.153 -4.616 1.00 0.00 C ATOM 185 C GLN A 15 -6.800 -3.107 -3.626 1.00 0.00 C ATOM 186 O GLN A 15 -7.015 -3.161 -2.419 1.00 0.00 O ATOM 187 CB GLN A 15 -8.263 -1.732 -5.099 1.00 0.00 C ATOM 188 CG GLN A 15 -9.438 -1.650 -6.058 1.00 0.00 C ATOM 189 CD GLN A 15 -9.151 -2.290 -7.399 1.00 0.00 C ATOM 190 OE1 GLN A 15 -8.723 -1.626 -8.340 1.00 0.00 O ATOM 191 NE2 GLN A 15 -9.341 -3.593 -7.480 1.00 0.00 N ATOM 0 H GLN A 15 -9.950 -3.111 -3.927 1.00 0.00 H new ATOM 0 HA GLN A 15 -7.669 -3.779 -5.460 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -8.466 -1.100 -4.235 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -7.377 -1.327 -5.589 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -10.303 -2.136 -5.607 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -9.704 -0.604 -6.210 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -9.698 -4.107 -6.675 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -9.131 -4.086 -8.348 1.00 0.00 H new ATOM 200 N CYS A 16 -5.575 -2.997 -4.137 1.00 0.00 N ATOM 201 CA CYS A 16 -4.410 -2.807 -3.279 1.00 0.00 C ATOM 202 C CYS A 16 -4.594 -1.561 -2.438 1.00 0.00 C ATOM 203 O CYS A 16 -4.394 -1.577 -1.231 1.00 0.00 O ATOM 204 CB CYS A 16 -3.132 -2.678 -4.105 1.00 0.00 C ATOM 205 SG CYS A 16 -2.731 -4.151 -5.056 1.00 0.00 S ATOM 0 H CYS A 16 -5.365 -3.036 -5.134 1.00 0.00 H new ATOM 0 HA CYS A 16 -4.317 -3.681 -2.634 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.235 -1.834 -4.787 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -2.301 -2.450 -3.438 1.00 0.00 H new ATOM 0 HG CYS A 16 -1.449 -4.360 -5.012 1.00 0.00 H new ATOM 211 N THR A 17 -5.039 -0.499 -3.087 1.00 0.00 N ATOM 212 CA THR A 17 -5.230 0.778 -2.426 1.00 0.00 C ATOM 213 C THR A 17 -6.414 0.703 -1.467 1.00 0.00 C ATOM 214 O THR A 17 -6.447 1.365 -0.434 1.00 0.00 O ATOM 215 CB THR A 17 -5.453 1.876 -3.475 1.00 0.00 C ATOM 216 OG1 THR A 17 -6.158 1.320 -4.592 1.00 0.00 O ATOM 217 CG2 THR A 17 -4.134 2.457 -3.950 1.00 0.00 C ATOM 0 H THR A 17 -5.276 -0.498 -4.079 1.00 0.00 H new ATOM 0 HA THR A 17 -4.337 1.020 -1.849 1.00 0.00 H new ATOM 0 HB THR A 17 -6.034 2.678 -3.020 1.00 0.00 H new ATOM 0 HG1 THR A 17 -6.593 2.040 -5.095 1.00 0.00 H new ATOM 0 HG21 THR A 17 -4.324 3.232 -4.692 1.00 0.00 H new ATOM 0 HG22 THR A 17 -3.601 2.889 -3.103 1.00 0.00 H new ATOM 0 HG23 THR A 17 -3.529 1.668 -4.396 1.00 0.00 H new ATOM 225 N TRP A 18 -7.371 -0.141 -1.817 1.00 0.00 N ATOM 226 CA TRP A 18 -8.524 -0.403 -0.972 1.00 0.00 C ATOM 227 C TRP A 18 -8.090 -1.180 0.268 1.00 0.00 C ATOM 228 O TRP A 18 -8.391 -0.792 1.400 1.00 0.00 O ATOM 229 CB TRP A 18 -9.559 -1.200 -1.773 1.00 0.00 C ATOM 230 CG TRP A 18 -10.816 -1.519 -1.032 1.00 0.00 C ATOM 231 CD1 TRP A 18 -11.930 -0.740 -0.936 1.00 0.00 C ATOM 232 CD2 TRP A 18 -11.097 -2.715 -0.294 1.00 0.00 C ATOM 233 NE1 TRP A 18 -12.885 -1.384 -0.195 1.00 0.00 N ATOM 234 CE2 TRP A 18 -12.399 -2.592 0.215 1.00 0.00 C ATOM 235 CE3 TRP A 18 -10.375 -3.878 -0.017 1.00 0.00 C ATOM 236 CZ2 TRP A 18 -12.997 -3.586 0.985 1.00 0.00 C ATOM 237 CZ3 TRP A 18 -10.967 -4.862 0.749 1.00 0.00 C ATOM 238 CH2 TRP A 18 -12.268 -4.711 1.242 1.00 0.00 C ATOM 0 H TRP A 18 -7.370 -0.663 -2.693 1.00 0.00 H new ATOM 0 HA TRP A 18 -8.970 0.538 -0.649 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -9.816 -0.636 -2.670 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -9.102 -2.133 -2.103 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -12.043 0.239 -1.378 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -13.813 -1.018 0.017 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -9.371 -4.005 -0.395 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -14.001 -3.471 1.365 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -10.417 -5.764 0.972 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -12.704 -5.500 1.837 1.00 0.00 H new ATOM 249 N TYR A 19 -7.359 -2.265 0.035 1.00 0.00 N ATOM 250 CA TYR A 19 -6.885 -3.130 1.104 1.00 0.00 C ATOM 251 C TYR A 19 -5.935 -2.384 2.036 1.00 0.00 C ATOM 252 O TYR A 19 -6.037 -2.500 3.257 1.00 0.00 O ATOM 253 CB TYR A 19 -6.193 -4.347 0.492 1.00 0.00 C ATOM 254 CG TYR A 19 -5.703 -5.367 1.492 1.00 0.00 C ATOM 255 CD1 TYR A 19 -6.546 -5.891 2.463 1.00 0.00 C ATOM 256 CD2 TYR A 19 -4.393 -5.813 1.450 1.00 0.00 C ATOM 257 CE1 TYR A 19 -6.093 -6.835 3.365 1.00 0.00 C ATOM 258 CE2 TYR A 19 -3.933 -6.758 2.342 1.00 0.00 C ATOM 259 CZ TYR A 19 -4.783 -7.267 3.297 1.00 0.00 C ATOM 260 OH TYR A 19 -4.321 -8.209 4.189 1.00 0.00 O ATOM 0 H TYR A 19 -7.080 -2.567 -0.898 1.00 0.00 H new ATOM 0 HA TYR A 19 -7.737 -3.456 1.700 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -6.886 -4.835 -0.193 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -5.345 -4.005 -0.102 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -7.571 -5.556 2.514 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -3.720 -5.414 0.706 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -6.758 -7.232 4.117 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -2.909 -7.098 2.291 1.00 0.00 H new ATOM 0 HH TYR A 19 -5.059 -8.796 4.456 1.00 0.00 H new ATOM 270 N VAL A 20 -5.018 -1.615 1.458 1.00 0.00 N ATOM 271 CA VAL A 20 -4.085 -0.819 2.244 1.00 0.00 C ATOM 272 C VAL A 20 -4.833 0.159 3.143 1.00 0.00 C ATOM 273 O VAL A 20 -4.526 0.280 4.330 1.00 0.00 O ATOM 274 CB VAL A 20 -3.103 -0.036 1.344 1.00 0.00 C ATOM 275 CG1 VAL A 20 -2.319 0.991 2.150 1.00 0.00 C ATOM 276 CG2 VAL A 20 -2.151 -0.988 0.641 1.00 0.00 C ATOM 0 H VAL A 20 -4.902 -1.527 0.448 1.00 0.00 H new ATOM 0 HA VAL A 20 -3.513 -1.514 2.859 1.00 0.00 H new ATOM 0 HB VAL A 20 -3.688 0.495 0.593 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.636 1.527 1.491 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -3.010 1.698 2.609 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.749 0.484 2.929 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.467 -0.419 0.011 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.581 -1.547 1.383 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.721 -1.682 0.023 1.00 0.00 H new ATOM 286 N TYR A 21 -5.829 0.832 2.581 1.00 0.00 N ATOM 287 CA TYR A 21 -6.581 1.830 3.324 1.00 0.00 C ATOM 288 C TYR A 21 -7.302 1.198 4.510 1.00 0.00 C ATOM 289 O TYR A 21 -7.405 1.802 5.578 1.00 0.00 O ATOM 290 CB TYR A 21 -7.581 2.543 2.417 1.00 0.00 C ATOM 291 CG TYR A 21 -8.224 3.730 3.081 1.00 0.00 C ATOM 292 CD1 TYR A 21 -7.458 4.813 3.481 1.00 0.00 C ATOM 293 CD2 TYR A 21 -9.589 3.764 3.321 1.00 0.00 C ATOM 294 CE1 TYR A 21 -8.030 5.902 4.099 1.00 0.00 C ATOM 295 CE2 TYR A 21 -10.174 4.849 3.935 1.00 0.00 C ATOM 296 CZ TYR A 21 -9.391 5.917 4.324 1.00 0.00 C ATOM 297 OH TYR A 21 -9.975 7.004 4.934 1.00 0.00 O ATOM 0 H TYR A 21 -6.133 0.704 1.616 1.00 0.00 H new ATOM 0 HA TYR A 21 -5.872 2.566 3.704 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -7.073 2.870 1.510 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -8.355 1.839 2.112 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -6.393 4.803 3.305 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -10.203 2.927 3.022 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -7.418 6.738 4.405 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -11.239 4.864 4.111 1.00 0.00 H new ATOM 0 HH TYR A 21 -10.940 6.854 5.016 1.00 0.00 H new ATOM 307 N ASP A 22 -7.798 -0.019 4.322 1.00 0.00 N ATOM 308 CA ASP A 22 -8.458 -0.739 5.404 1.00 0.00 C ATOM 309 C ASP A 22 -7.448 -1.155 6.473 1.00 0.00 C ATOM 310 O ASP A 22 -7.680 -0.965 7.669 1.00 0.00 O ATOM 311 CB ASP A 22 -9.188 -1.973 4.871 1.00 0.00 C ATOM 312 CG ASP A 22 -9.823 -2.794 5.980 1.00 0.00 C ATOM 313 OD1 ASP A 22 -10.918 -2.420 6.453 1.00 0.00 O ATOM 314 OD2 ASP A 22 -9.232 -3.821 6.381 1.00 0.00 O ATOM 0 H ASP A 22 -7.756 -0.525 3.437 1.00 0.00 H new ATOM 0 HA ASP A 22 -9.189 -0.067 5.854 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -9.959 -1.660 4.167 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -8.486 -2.596 4.318 1.00 0.00 H new ATOM 319 N LYS A 23 -6.315 -1.698 6.033 1.00 0.00 N ATOM 320 CA LYS A 23 -5.282 -2.192 6.943 1.00 0.00 C ATOM 321 C LYS A 23 -4.678 -1.067 7.786 1.00 0.00 C ATOM 322 O LYS A 23 -4.355 -1.270 8.957 1.00 0.00 O ATOM 323 CB LYS A 23 -4.182 -2.907 6.155 1.00 0.00 C ATOM 324 CG LYS A 23 -4.639 -4.201 5.499 1.00 0.00 C ATOM 325 CD LYS A 23 -4.657 -5.368 6.478 1.00 0.00 C ATOM 326 CE LYS A 23 -3.249 -5.854 6.787 1.00 0.00 C ATOM 327 NZ LYS A 23 -3.240 -7.100 7.597 1.00 0.00 N ATOM 0 H LYS A 23 -6.087 -1.808 5.045 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.756 -2.897 7.625 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -3.804 -2.234 5.385 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.350 -3.124 6.825 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -5.637 -4.063 5.083 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.977 -4.438 4.666 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.149 -5.063 7.401 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -5.243 -6.187 6.060 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -2.715 -6.028 5.853 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -2.708 -5.073 7.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -2.851 -6.898 8.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -4.211 -7.459 7.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -2.651 -7.816 7.126 1.00 0.00 H new ATOM 341 N VAL A 24 -4.529 0.117 7.197 1.00 0.00 N ATOM 342 CA VAL A 24 -3.982 1.258 7.931 1.00 0.00 C ATOM 343 C VAL A 24 -5.041 1.879 8.840 1.00 0.00 C ATOM 344 O VAL A 24 -4.751 2.792 9.613 1.00 0.00 O ATOM 345 CB VAL A 24 -3.404 2.346 6.996 1.00 0.00 C ATOM 346 CG1 VAL A 24 -2.285 1.776 6.138 1.00 0.00 C ATOM 347 CG2 VAL A 24 -4.491 2.968 6.128 1.00 0.00 C ATOM 0 H VAL A 24 -4.775 0.312 6.227 1.00 0.00 H new ATOM 0 HA VAL A 24 -3.163 0.868 8.535 1.00 0.00 H new ATOM 0 HB VAL A 24 -2.989 3.137 7.621 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.892 2.557 5.487 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -1.487 1.403 6.781 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -2.673 0.959 5.530 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -4.051 3.728 5.483 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -4.953 2.195 5.514 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -5.248 3.426 6.765 1.00 0.00 H new ATOM 357 N GLY A 25 -6.270 1.390 8.728 1.00 0.00 N ATOM 358 CA GLY A 25 -7.332 1.820 9.619 1.00 0.00 C ATOM 359 C GLY A 25 -7.978 3.115 9.179 1.00 0.00 C ATOM 360 O GLY A 25 -8.678 3.764 9.957 1.00 0.00 O ATOM 0 H GLY A 25 -6.552 0.699 8.032 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -8.092 1.041 9.674 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -6.929 1.944 10.624 1.00 0.00 H new ATOM 364 N GLY A 26 -7.755 3.486 7.927 1.00 0.00 N ATOM 365 CA GLY A 26 -8.301 4.727 7.412 1.00 0.00 C ATOM 366 C GLY A 26 -7.570 5.946 7.939 1.00 0.00 C ATOM 367 O GLY A 26 -8.140 7.034 8.015 1.00 0.00 O ATOM 0 H GLY A 26 -7.205 2.949 7.256 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -8.249 4.719 6.323 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -9.355 4.795 7.680 1.00 0.00 H new ATOM 371 N GLU A 27 -6.311 5.762 8.308 1.00 0.00 N ATOM 372 CA GLU A 27 -5.490 6.857 8.810 1.00 0.00 C ATOM 373 C GLU A 27 -5.014 7.748 7.663 1.00 0.00 C ATOM 374 O GLU A 27 -5.223 8.960 7.667 1.00 0.00 O ATOM 375 CB GLU A 27 -4.285 6.294 9.574 1.00 0.00 C ATOM 376 CG GLU A 27 -3.324 7.353 10.098 1.00 0.00 C ATOM 377 CD GLU A 27 -3.952 8.257 11.139 1.00 0.00 C ATOM 378 OE1 GLU A 27 -4.083 7.824 12.303 1.00 0.00 O ATOM 379 OE2 GLU A 27 -4.301 9.408 10.806 1.00 0.00 O ATOM 0 H GLU A 27 -5.833 4.862 8.269 1.00 0.00 H new ATOM 0 HA GLU A 27 -6.094 7.463 9.485 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -4.647 5.701 10.414 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.738 5.617 8.918 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -2.451 6.863 10.529 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.970 7.959 9.264 1.00 0.00 H new ATOM 386 N ILE A 28 -4.396 7.128 6.670 1.00 0.00 N ATOM 387 CA ILE A 28 -3.732 7.862 5.600 1.00 0.00 C ATOM 388 C ILE A 28 -4.438 7.699 4.259 1.00 0.00 C ATOM 389 O ILE A 28 -4.975 6.636 3.950 1.00 0.00 O ATOM 390 CB ILE A 28 -2.258 7.408 5.458 1.00 0.00 C ATOM 391 CG1 ILE A 28 -2.148 5.879 5.485 1.00 0.00 C ATOM 392 CG2 ILE A 28 -1.399 8.015 6.552 1.00 0.00 C ATOM 393 CD1 ILE A 28 -2.156 5.233 4.123 1.00 0.00 C ATOM 0 H ILE A 28 -4.339 6.113 6.581 1.00 0.00 H new ATOM 0 HA ILE A 28 -3.770 8.916 5.877 1.00 0.00 H new ATOM 0 HB ILE A 28 -1.893 7.761 4.494 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -1.229 5.601 6.001 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -2.975 5.477 6.070 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -0.368 7.682 6.432 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.439 9.102 6.485 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -1.772 7.697 7.526 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -2.075 4.152 4.233 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -3.086 5.477 3.610 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -1.313 5.603 3.540 1.00 0.00 H new ATOM 405 N GLY A 29 -4.462 8.777 3.487 1.00 0.00 N ATOM 406 CA GLY A 29 -4.833 8.687 2.094 1.00 0.00 C ATOM 407 C GLY A 29 -6.261 9.083 1.805 1.00 0.00 C ATOM 408 O GLY A 29 -6.534 10.256 1.558 1.00 0.00 O ATOM 0 H GLY A 29 -4.229 9.717 3.806 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -4.167 9.323 1.511 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -4.676 7.664 1.754 1.00 0.00 H new ATOM 412 N SER A 30 -7.142 8.075 1.816 1.00 0.00 N ATOM 413 CA SER A 30 -8.571 8.188 1.456 1.00 0.00 C ATOM 414 C SER A 30 -8.782 8.627 0.000 1.00 0.00 C ATOM 415 O SER A 30 -9.437 7.929 -0.773 1.00 0.00 O ATOM 416 CB SER A 30 -9.354 9.095 2.428 1.00 0.00 C ATOM 417 OG SER A 30 -8.935 10.448 2.375 1.00 0.00 O ATOM 0 H SER A 30 -6.877 7.127 2.083 1.00 0.00 H new ATOM 0 HA SER A 30 -8.978 7.181 1.550 1.00 0.00 H new ATOM 0 HB2 SER A 30 -10.417 9.039 2.193 1.00 0.00 H new ATOM 0 HB3 SER A 30 -9.232 8.721 3.445 1.00 0.00 H new ATOM 0 HG SER A 30 -8.022 10.494 2.022 1.00 0.00 H new ATOM 423 N THR A 31 -8.208 9.757 -0.370 1.00 0.00 N ATOM 424 CA THR A 31 -8.403 10.332 -1.687 1.00 0.00 C ATOM 425 C THR A 31 -7.064 10.432 -2.429 1.00 0.00 C ATOM 426 O THR A 31 -6.880 11.272 -3.312 1.00 0.00 O ATOM 427 CB THR A 31 -9.067 11.726 -1.561 1.00 0.00 C ATOM 428 OG1 THR A 31 -9.431 12.245 -2.850 1.00 0.00 O ATOM 429 CG2 THR A 31 -8.144 12.710 -0.852 1.00 0.00 C ATOM 0 H THR A 31 -7.593 10.302 0.235 1.00 0.00 H new ATOM 0 HA THR A 31 -9.063 9.684 -2.264 1.00 0.00 H new ATOM 0 HB THR A 31 -9.972 11.602 -0.966 1.00 0.00 H new ATOM 0 HG1 THR A 31 -8.656 12.206 -3.449 1.00 0.00 H new ATOM 0 HG21 THR A 31 -8.635 13.680 -0.777 1.00 0.00 H new ATOM 0 HG22 THR A 31 -7.917 12.340 0.148 1.00 0.00 H new ATOM 0 HG23 THR A 31 -7.219 12.814 -1.419 1.00 0.00 H new ATOM 437 N TRP A 32 -6.144 9.528 -2.095 1.00 0.00 N ATOM 438 CA TRP A 32 -4.809 9.511 -2.706 1.00 0.00 C ATOM 439 C TRP A 32 -4.860 9.116 -4.185 1.00 0.00 C ATOM 440 O TRP A 32 -3.843 9.110 -4.875 1.00 0.00 O ATOM 441 CB TRP A 32 -3.886 8.549 -1.946 1.00 0.00 C ATOM 442 CG TRP A 32 -4.440 7.166 -1.856 1.00 0.00 C ATOM 443 CD1 TRP A 32 -5.171 6.525 -2.802 1.00 0.00 C ATOM 444 CD2 TRP A 32 -4.304 6.255 -0.773 1.00 0.00 C ATOM 445 NE1 TRP A 32 -5.522 5.283 -2.375 1.00 0.00 N ATOM 446 CE2 TRP A 32 -5.000 5.084 -1.126 1.00 0.00 C ATOM 447 CE3 TRP A 32 -3.668 6.317 0.460 1.00 0.00 C ATOM 448 CZ2 TRP A 32 -5.078 3.983 -0.285 1.00 0.00 C ATOM 449 CZ3 TRP A 32 -3.743 5.222 1.297 1.00 0.00 C ATOM 450 CH2 TRP A 32 -4.444 4.068 0.923 1.00 0.00 C ATOM 0 H TRP A 32 -6.296 8.794 -1.403 1.00 0.00 H new ATOM 0 HA TRP A 32 -4.413 10.525 -2.643 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -2.916 8.515 -2.442 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -3.716 8.934 -0.940 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -5.437 6.943 -3.761 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -6.082 4.611 -2.899 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -3.126 7.203 0.758 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -5.619 3.094 -0.574 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -3.252 5.255 2.258 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -4.484 3.229 1.602 1.00 0.00 H new ATOM 461 N GLY A 33 -6.035 8.755 -4.666 1.00 0.00 N ATOM 462 CA GLY A 33 -6.139 8.312 -6.032 1.00 0.00 C ATOM 463 C GLY A 33 -5.873 6.836 -6.162 1.00 0.00 C ATOM 464 O GLY A 33 -6.529 6.021 -5.519 1.00 0.00 O ATOM 0 H GLY A 33 -6.909 8.761 -4.140 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -7.135 8.537 -6.412 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -5.430 8.865 -6.649 1.00 0.00 H new ATOM 468 N ASN A 34 -4.898 6.498 -6.989 1.00 0.00 N ATOM 469 CA ASN A 34 -4.462 5.123 -7.125 1.00 0.00 C ATOM 470 C ASN A 34 -3.010 5.024 -6.703 1.00 0.00 C ATOM 471 O ASN A 34 -2.391 6.030 -6.358 1.00 0.00 O ATOM 472 CB ASN A 34 -4.628 4.607 -8.563 1.00 0.00 C ATOM 473 CG ASN A 34 -6.040 4.770 -9.104 1.00 0.00 C ATOM 474 OD1 ASN A 34 -6.906 3.925 -8.886 1.00 0.00 O ATOM 475 ND2 ASN A 34 -6.271 5.848 -9.842 1.00 0.00 N ATOM 0 H ASN A 34 -4.393 7.161 -7.577 1.00 0.00 H new ATOM 0 HA ASN A 34 -5.086 4.500 -6.485 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -3.934 5.138 -9.214 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -4.353 3.553 -8.597 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -7.193 5.998 -10.251 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -5.526 6.527 -10.000 1.00 0.00 H new ATOM 482 N ALA A 35 -2.463 3.822 -6.753 1.00 0.00 N ATOM 483 CA ALA A 35 -1.113 3.571 -6.269 1.00 0.00 C ATOM 484 C ALA A 35 -0.069 4.390 -7.029 1.00 0.00 C ATOM 485 O ALA A 35 0.879 4.885 -6.442 1.00 0.00 O ATOM 486 CB ALA A 35 -0.801 2.089 -6.355 1.00 0.00 C ATOM 0 H ALA A 35 -2.935 2.998 -7.126 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.067 3.887 -5.227 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.211 1.908 -5.991 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.511 1.532 -5.744 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.878 1.761 -7.391 1.00 0.00 H new ATOM 492 N ASN A 36 -0.257 4.552 -8.324 1.00 0.00 N ATOM 493 CA ASN A 36 0.704 5.276 -9.155 1.00 0.00 C ATOM 494 C ASN A 36 0.651 6.783 -8.900 1.00 0.00 C ATOM 495 O ASN A 36 1.582 7.512 -9.237 1.00 0.00 O ATOM 496 CB ASN A 36 0.466 4.972 -10.639 1.00 0.00 C ATOM 497 CG ASN A 36 -0.908 5.394 -11.135 1.00 0.00 C ATOM 498 OD1 ASN A 36 -1.876 5.450 -10.373 1.00 0.00 O ATOM 499 ND2 ASN A 36 -1.006 5.681 -12.421 1.00 0.00 N ATOM 0 H ASN A 36 -1.066 4.194 -8.831 1.00 0.00 H new ATOM 0 HA ASN A 36 1.701 4.932 -8.881 1.00 0.00 H new ATOM 0 HB2 ASN A 36 1.228 5.478 -11.232 1.00 0.00 H new ATOM 0 HB3 ASN A 36 0.591 3.902 -10.806 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -1.905 5.960 -12.814 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -0.183 5.623 -13.021 1.00 0.00 H new ATOM 506 N ASN A 37 -0.429 7.237 -8.276 1.00 0.00 N ATOM 507 CA ASN A 37 -0.602 8.654 -7.957 1.00 0.00 C ATOM 508 C ASN A 37 -0.284 8.893 -6.482 1.00 0.00 C ATOM 509 O ASN A 37 -0.326 10.025 -5.995 1.00 0.00 O ATOM 510 CB ASN A 37 -2.043 9.085 -8.257 1.00 0.00 C ATOM 511 CG ASN A 37 -2.268 10.581 -8.110 1.00 0.00 C ATOM 512 OD1 ASN A 37 -1.391 11.391 -8.412 1.00 0.00 O ATOM 513 ND2 ASN A 37 -3.447 10.951 -7.633 1.00 0.00 N ATOM 0 H ASN A 37 -1.203 6.643 -7.978 1.00 0.00 H new ATOM 0 HA ASN A 37 0.079 9.244 -8.570 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -2.300 8.784 -9.273 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -2.720 8.556 -7.587 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -3.657 11.941 -7.503 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -4.145 10.246 -7.396 1.00 0.00 H new ATOM 520 N TRP A 38 0.063 7.810 -5.794 1.00 0.00 N ATOM 521 CA TRP A 38 0.239 7.819 -4.346 1.00 0.00 C ATOM 522 C TRP A 38 1.172 8.913 -3.865 1.00 0.00 C ATOM 523 O TRP A 38 0.767 9.772 -3.091 1.00 0.00 O ATOM 524 CB TRP A 38 0.780 6.483 -3.871 1.00 0.00 C ATOM 525 CG TRP A 38 -0.208 5.717 -3.082 1.00 0.00 C ATOM 526 CD1 TRP A 38 -1.513 5.492 -3.393 1.00 0.00 C ATOM 527 CD2 TRP A 38 0.035 5.077 -1.838 1.00 0.00 C ATOM 528 NE1 TRP A 38 -2.102 4.752 -2.414 1.00 0.00 N ATOM 529 CE2 TRP A 38 -1.168 4.482 -1.432 1.00 0.00 C ATOM 530 CE3 TRP A 38 1.167 4.949 -1.032 1.00 0.00 C ATOM 531 CZ2 TRP A 38 -1.268 3.774 -0.230 1.00 0.00 C ATOM 532 CZ3 TRP A 38 1.067 4.250 0.146 1.00 0.00 C ATOM 533 CH2 TRP A 38 -0.142 3.672 0.538 1.00 0.00 C ATOM 0 H TRP A 38 0.230 6.901 -6.225 1.00 0.00 H new ATOM 0 HA TRP A 38 -0.748 8.010 -3.926 1.00 0.00 H new ATOM 0 HB2 TRP A 38 1.087 5.892 -4.734 1.00 0.00 H new ATOM 0 HB3 TRP A 38 1.671 6.651 -3.266 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -2.008 5.848 -4.284 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -3.075 4.446 -2.406 1.00 0.00 H new ATOM 0 HE3 TRP A 38 2.106 5.392 -1.330 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -2.200 3.325 0.080 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 1.936 4.146 0.778 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -0.189 3.131 1.471 1.00 0.00 H new ATOM 544 N ALA A 39 2.419 8.879 -4.319 1.00 0.00 N ATOM 545 CA ALA A 39 3.436 9.801 -3.824 1.00 0.00 C ATOM 546 C ALA A 39 3.015 11.255 -4.028 1.00 0.00 C ATOM 547 O ALA A 39 3.258 12.099 -3.170 1.00 0.00 O ATOM 548 CB ALA A 39 4.781 9.525 -4.482 1.00 0.00 C ATOM 0 H ALA A 39 2.751 8.225 -5.028 1.00 0.00 H new ATOM 0 HA ALA A 39 3.542 9.636 -2.752 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.524 10.224 -4.098 1.00 0.00 H new ATOM 0 HB2 ALA A 39 5.093 8.505 -4.258 1.00 0.00 H new ATOM 0 HB3 ALA A 39 4.690 9.648 -5.561 1.00 0.00 H new ATOM 554 N ALA A 40 2.362 11.535 -5.149 1.00 0.00 N ATOM 555 CA ALA A 40 1.882 12.881 -5.434 1.00 0.00 C ATOM 556 C ALA A 40 0.725 13.259 -4.511 1.00 0.00 C ATOM 557 O ALA A 40 0.722 14.338 -3.913 1.00 0.00 O ATOM 558 CB ALA A 40 1.460 12.990 -6.891 1.00 0.00 C ATOM 0 H ALA A 40 2.153 10.849 -5.874 1.00 0.00 H new ATOM 0 HA ALA A 40 2.698 13.580 -5.251 1.00 0.00 H new ATOM 0 HB1 ALA A 40 1.103 14.000 -7.092 1.00 0.00 H new ATOM 0 HB2 ALA A 40 2.313 12.772 -7.534 1.00 0.00 H new ATOM 0 HB3 ALA A 40 0.661 12.276 -7.093 1.00 0.00 H new ATOM 564 N ALA A 41 -0.249 12.365 -4.390 1.00 0.00 N ATOM 565 CA ALA A 41 -1.430 12.615 -3.568 1.00 0.00 C ATOM 566 C ALA A 41 -1.068 12.677 -2.089 1.00 0.00 C ATOM 567 O ALA A 41 -1.533 13.553 -1.360 1.00 0.00 O ATOM 568 CB ALA A 41 -2.476 11.536 -3.804 1.00 0.00 C ATOM 0 H ALA A 41 -0.245 11.456 -4.852 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.843 13.581 -3.859 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -3.351 11.735 -3.185 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -2.768 11.535 -4.854 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -2.060 10.563 -3.542 1.00 0.00 H new ATOM 574 N ALA A 42 -0.230 11.746 -1.660 1.00 0.00 N ATOM 575 CA ALA A 42 0.197 11.655 -0.270 1.00 0.00 C ATOM 576 C ALA A 42 0.884 12.939 0.185 1.00 0.00 C ATOM 577 O ALA A 42 0.550 13.496 1.230 1.00 0.00 O ATOM 578 CB ALA A 42 1.139 10.483 -0.104 1.00 0.00 C ATOM 0 H ALA A 42 0.174 11.031 -2.265 1.00 0.00 H new ATOM 0 HA ALA A 42 -0.688 11.508 0.349 1.00 0.00 H new ATOM 0 HB1 ALA A 42 1.457 10.417 0.936 1.00 0.00 H new ATOM 0 HB2 ALA A 42 0.628 9.563 -0.387 1.00 0.00 H new ATOM 0 HB3 ALA A 42 2.011 10.624 -0.742 1.00 0.00 H new ATOM 584 N GLN A 43 1.849 13.402 -0.604 1.00 0.00 N ATOM 585 CA GLN A 43 2.580 14.625 -0.279 1.00 0.00 C ATOM 586 C GLN A 43 1.645 15.829 -0.311 1.00 0.00 C ATOM 587 O GLN A 43 1.759 16.738 0.513 1.00 0.00 O ATOM 588 CB GLN A 43 3.748 14.831 -1.245 1.00 0.00 C ATOM 589 CG GLN A 43 4.818 13.756 -1.141 1.00 0.00 C ATOM 590 CD GLN A 43 5.906 13.905 -2.188 1.00 0.00 C ATOM 591 OE1 GLN A 43 6.225 15.010 -2.622 1.00 0.00 O ATOM 592 NE2 GLN A 43 6.479 12.787 -2.608 1.00 0.00 N ATOM 0 H GLN A 43 2.143 12.951 -1.470 1.00 0.00 H new ATOM 0 HA GLN A 43 2.983 14.524 0.729 1.00 0.00 H new ATOM 0 HB2 GLN A 43 3.365 14.854 -2.265 1.00 0.00 H new ATOM 0 HB3 GLN A 43 4.201 15.803 -1.052 1.00 0.00 H new ATOM 0 HG2 GLN A 43 5.268 13.792 -0.149 1.00 0.00 H new ATOM 0 HG3 GLN A 43 4.353 12.776 -1.244 1.00 0.00 H new ATOM 0 HE21 GLN A 43 6.187 11.889 -2.224 1.00 0.00 H new ATOM 0 HE22 GLN A 43 7.212 12.825 -3.316 1.00 0.00 H new ATOM 601 N GLY A 44 0.701 15.809 -1.248 1.00 0.00 N ATOM 602 CA GLY A 44 -0.294 16.862 -1.328 1.00 0.00 C ATOM 603 C GLY A 44 -1.196 16.880 -0.109 1.00 0.00 C ATOM 604 O GLY A 44 -1.662 17.938 0.314 1.00 0.00 O ATOM 0 H GLY A 44 0.608 15.080 -1.955 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.205 17.826 -1.425 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -0.898 16.724 -2.225 1.00 0.00 H new ATOM 608 N ALA A 45 -1.441 15.703 0.454 1.00 0.00 N ATOM 609 CA ALA A 45 -2.234 15.579 1.669 1.00 0.00 C ATOM 610 C ALA A 45 -1.411 15.966 2.894 1.00 0.00 C ATOM 611 O ALA A 45 -1.959 16.245 3.958 1.00 0.00 O ATOM 612 CB ALA A 45 -2.770 14.162 1.805 1.00 0.00 C ATOM 0 H ALA A 45 -1.099 14.816 0.085 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.079 16.264 1.602 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -3.361 14.083 2.717 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -3.397 13.926 0.945 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -1.937 13.461 1.850 1.00 0.00 H new ATOM 618 N GLY A 46 -0.094 15.980 2.737 1.00 0.00 N ATOM 619 CA GLY A 46 0.776 16.415 3.810 1.00 0.00 C ATOM 620 C GLY A 46 1.494 15.272 4.489 1.00 0.00 C ATOM 621 O GLY A 46 1.894 15.390 5.647 1.00 0.00 O ATOM 0 H GLY A 46 0.387 15.697 1.883 1.00 0.00 H new ATOM 0 HA2 GLY A 46 1.512 17.114 3.413 1.00 0.00 H new ATOM 0 HA3 GLY A 46 0.188 16.958 4.550 1.00 0.00 H new ATOM 625 N PHE A 47 1.663 14.162 3.784 1.00 0.00 N ATOM 626 CA PHE A 47 2.378 13.022 4.342 1.00 0.00 C ATOM 627 C PHE A 47 3.877 13.220 4.190 1.00 0.00 C ATOM 628 O PHE A 47 4.329 13.997 3.350 1.00 0.00 O ATOM 629 CB PHE A 47 1.988 11.710 3.653 1.00 0.00 C ATOM 630 CG PHE A 47 0.537 11.336 3.765 1.00 0.00 C ATOM 631 CD1 PHE A 47 -0.343 12.083 4.531 1.00 0.00 C ATOM 632 CD2 PHE A 47 0.055 10.234 3.083 1.00 0.00 C ATOM 633 CE1 PHE A 47 -1.674 11.735 4.610 1.00 0.00 C ATOM 634 CE2 PHE A 47 -1.272 9.878 3.160 1.00 0.00 C ATOM 635 CZ PHE A 47 -2.138 10.633 3.923 1.00 0.00 C ATOM 0 H PHE A 47 1.319 14.026 2.834 1.00 0.00 H new ATOM 0 HA PHE A 47 2.106 12.958 5.395 1.00 0.00 H new ATOM 0 HB2 PHE A 47 2.248 11.782 2.597 1.00 0.00 H new ATOM 0 HB3 PHE A 47 2.588 10.904 4.075 1.00 0.00 H new ATOM 0 HD1 PHE A 47 0.017 12.946 5.071 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.730 9.644 2.481 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -2.353 12.324 5.209 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -1.633 9.012 2.626 1.00 0.00 H new ATOM 0 HZ PHE A 47 -3.181 10.361 3.983 1.00 0.00 H new ATOM 645 N THR A 48 4.632 12.514 5.005 1.00 0.00 N ATOM 646 CA THR A 48 6.073 12.485 4.884 1.00 0.00 C ATOM 647 C THR A 48 6.479 11.200 4.180 1.00 0.00 C ATOM 648 O THR A 48 6.545 10.135 4.799 1.00 0.00 O ATOM 649 CB THR A 48 6.747 12.539 6.266 1.00 0.00 C ATOM 650 OG1 THR A 48 6.074 13.499 7.096 1.00 0.00 O ATOM 651 CG2 THR A 48 8.213 12.920 6.139 1.00 0.00 C ATOM 0 H THR A 48 4.265 11.946 5.768 1.00 0.00 H new ATOM 0 HA THR A 48 6.394 13.356 4.312 1.00 0.00 H new ATOM 0 HB THR A 48 6.682 11.549 6.718 1.00 0.00 H new ATOM 0 HG1 THR A 48 5.660 13.041 7.857 1.00 0.00 H new ATOM 0 HG21 THR A 48 8.668 12.952 7.129 1.00 0.00 H new ATOM 0 HG22 THR A 48 8.729 12.181 5.526 1.00 0.00 H new ATOM 0 HG23 THR A 48 8.295 13.901 5.671 1.00 0.00 H new ATOM 659 N VAL A 49 6.707 11.279 2.885 1.00 0.00 N ATOM 660 CA VAL A 49 7.034 10.091 2.133 1.00 0.00 C ATOM 661 C VAL A 49 8.518 10.065 1.798 1.00 0.00 C ATOM 662 O VAL A 49 9.111 11.072 1.403 1.00 0.00 O ATOM 663 CB VAL A 49 6.170 9.935 0.843 1.00 0.00 C ATOM 664 CG1 VAL A 49 4.891 10.749 0.939 1.00 0.00 C ATOM 665 CG2 VAL A 49 6.935 10.283 -0.425 1.00 0.00 C ATOM 0 H VAL A 49 6.672 12.141 2.340 1.00 0.00 H new ATOM 0 HA VAL A 49 6.798 9.238 2.769 1.00 0.00 H new ATOM 0 HB VAL A 49 5.908 8.879 0.774 1.00 0.00 H new ATOM 0 HG11 VAL A 49 4.309 10.621 0.026 1.00 0.00 H new ATOM 0 HG12 VAL A 49 4.306 10.408 1.793 1.00 0.00 H new ATOM 0 HG13 VAL A 49 5.139 11.803 1.067 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.283 10.156 -1.290 1.00 0.00 H new ATOM 0 HG22 VAL A 49 7.272 11.318 -0.374 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.798 9.625 -0.521 1.00 0.00 H new ATOM 675 N ASN A 50 9.117 8.921 2.037 1.00 0.00 N ATOM 676 CA ASN A 50 10.462 8.650 1.601 1.00 0.00 C ATOM 677 C ASN A 50 10.375 7.384 0.776 1.00 0.00 C ATOM 678 O ASN A 50 9.426 7.212 0.012 1.00 0.00 O ATOM 679 CB ASN A 50 11.417 8.450 2.791 1.00 0.00 C ATOM 680 CG ASN A 50 11.165 9.402 3.946 1.00 0.00 C ATOM 681 OD1 ASN A 50 11.571 10.564 3.918 1.00 0.00 O ATOM 682 ND2 ASN A 50 10.533 8.894 4.995 1.00 0.00 N ATOM 0 H ASN A 50 8.680 8.150 2.542 1.00 0.00 H new ATOM 0 HA ASN A 50 10.862 9.488 1.029 1.00 0.00 H new ATOM 0 HB2 ASN A 50 11.325 7.425 3.150 1.00 0.00 H new ATOM 0 HB3 ASN A 50 12.443 8.576 2.446 1.00 0.00 H new ATOM 0 HD21 ASN A 50 10.367 9.471 5.819 1.00 0.00 H new ATOM 0 HD22 ASN A 50 10.213 7.926 4.978 1.00 0.00 H new ATOM 689 N HIS A 51 11.315 6.484 0.943 1.00 0.00 N ATOM 690 CA HIS A 51 11.188 5.175 0.336 1.00 0.00 C ATOM 691 C HIS A 51 11.958 4.123 1.119 1.00 0.00 C ATOM 692 O HIS A 51 13.112 3.813 0.821 1.00 0.00 O ATOM 693 CB HIS A 51 11.602 5.184 -1.149 1.00 0.00 C ATOM 694 CG HIS A 51 12.905 5.862 -1.449 1.00 0.00 C ATOM 695 ND1 HIS A 51 14.105 5.192 -1.526 1.00 0.00 N ATOM 696 CD2 HIS A 51 13.183 7.157 -1.725 1.00 0.00 C ATOM 697 CE1 HIS A 51 15.063 6.045 -1.836 1.00 0.00 C ATOM 698 NE2 HIS A 51 14.530 7.243 -1.964 1.00 0.00 N ATOM 0 H HIS A 51 12.166 6.628 1.486 1.00 0.00 H new ATOM 0 HA HIS A 51 10.132 4.908 0.372 1.00 0.00 H new ATOM 0 HB2 HIS A 51 11.659 4.153 -1.499 1.00 0.00 H new ATOM 0 HB3 HIS A 51 10.816 5.673 -1.725 1.00 0.00 H new ATOM 0 HD1 HIS A 51 14.234 4.193 -1.368 1.00 0.00 H new ATOM 0 HD2 HIS A 51 12.475 7.972 -1.752 1.00 0.00 H new ATOM 0 HE1 HIS A 51 16.108 5.802 -1.963 1.00 0.00 H new ATOM 707 N THR A 52 11.308 3.615 2.153 1.00 0.00 N ATOM 708 CA THR A 52 11.859 2.571 3.003 1.00 0.00 C ATOM 709 C THR A 52 10.727 1.916 3.790 1.00 0.00 C ATOM 710 O THR A 52 10.266 2.474 4.784 1.00 0.00 O ATOM 711 CB THR A 52 12.899 3.139 4.000 1.00 0.00 C ATOM 712 OG1 THR A 52 13.966 3.788 3.294 1.00 0.00 O ATOM 713 CG2 THR A 52 13.475 2.036 4.880 1.00 0.00 C ATOM 0 H THR A 52 10.374 3.918 2.429 1.00 0.00 H new ATOM 0 HA THR A 52 12.358 1.843 2.364 1.00 0.00 H new ATOM 0 HB THR A 52 12.388 3.863 4.634 1.00 0.00 H new ATOM 0 HG1 THR A 52 13.916 3.559 2.342 1.00 0.00 H new ATOM 0 HG21 THR A 52 14.202 2.464 5.570 1.00 0.00 H new ATOM 0 HG22 THR A 52 12.671 1.565 5.446 1.00 0.00 H new ATOM 0 HG23 THR A 52 13.964 1.289 4.254 1.00 0.00 H new ATOM 721 N PRO A 53 10.236 0.749 3.336 1.00 0.00 N ATOM 722 CA PRO A 53 9.126 0.050 3.996 1.00 0.00 C ATOM 723 C PRO A 53 9.418 -0.285 5.459 1.00 0.00 C ATOM 724 O PRO A 53 10.573 -0.467 5.854 1.00 0.00 O ATOM 725 CB PRO A 53 8.965 -1.237 3.177 1.00 0.00 C ATOM 726 CG PRO A 53 10.245 -1.383 2.428 1.00 0.00 C ATOM 727 CD PRO A 53 10.710 0.014 2.150 1.00 0.00 C ATOM 0 HA PRO A 53 8.230 0.670 4.024 1.00 0.00 H new ATOM 0 HB2 PRO A 53 8.786 -2.096 3.824 1.00 0.00 H new ATOM 0 HB3 PRO A 53 8.116 -1.168 2.497 1.00 0.00 H new ATOM 0 HG2 PRO A 53 10.982 -1.932 3.014 1.00 0.00 H new ATOM 0 HG3 PRO A 53 10.096 -1.938 1.502 1.00 0.00 H new ATOM 0 HD2 PRO A 53 11.794 0.068 2.045 1.00 0.00 H new ATOM 0 HD3 PRO A 53 10.281 0.409 1.229 1.00 0.00 H new ATOM 735 N SER A 54 8.360 -0.391 6.247 1.00 0.00 N ATOM 736 CA SER A 54 8.476 -0.618 7.676 1.00 0.00 C ATOM 737 C SER A 54 7.187 -1.236 8.198 1.00 0.00 C ATOM 738 O SER A 54 6.151 -1.164 7.533 1.00 0.00 O ATOM 739 CB SER A 54 8.781 0.702 8.393 1.00 0.00 C ATOM 740 OG SER A 54 7.933 1.744 7.937 1.00 0.00 O ATOM 0 H SER A 54 7.399 -0.322 5.913 1.00 0.00 H new ATOM 0 HA SER A 54 9.297 -1.308 7.872 1.00 0.00 H new ATOM 0 HB2 SER A 54 8.655 0.572 9.468 1.00 0.00 H new ATOM 0 HB3 SER A 54 9.822 0.978 8.225 1.00 0.00 H new ATOM 0 HG SER A 54 8.149 2.573 8.413 1.00 0.00 H new ATOM 746 N LYS A 55 7.245 -1.843 9.374 1.00 0.00 N ATOM 747 CA LYS A 55 6.091 -2.541 9.919 1.00 0.00 C ATOM 748 C LYS A 55 4.958 -1.560 10.204 1.00 0.00 C ATOM 749 O LYS A 55 5.075 -0.701 11.082 1.00 0.00 O ATOM 750 CB LYS A 55 6.478 -3.293 11.191 1.00 0.00 C ATOM 751 CG LYS A 55 5.381 -4.200 11.712 1.00 0.00 C ATOM 752 CD LYS A 55 5.848 -5.000 12.914 1.00 0.00 C ATOM 753 CE LYS A 55 4.808 -6.024 13.340 1.00 0.00 C ATOM 754 NZ LYS A 55 3.514 -5.394 13.712 1.00 0.00 N ATOM 0 H LYS A 55 8.075 -1.866 9.967 1.00 0.00 H new ATOM 0 HA LYS A 55 5.743 -3.263 9.180 1.00 0.00 H new ATOM 0 HB2 LYS A 55 7.369 -3.889 10.995 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.741 -2.572 11.965 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.512 -3.602 11.986 1.00 0.00 H new ATOM 0 HG3 LYS A 55 5.063 -4.880 10.922 1.00 0.00 H new ATOM 0 HD2 LYS A 55 6.782 -5.507 12.674 1.00 0.00 H new ATOM 0 HD3 LYS A 55 6.056 -4.324 13.744 1.00 0.00 H new ATOM 0 HE2 LYS A 55 4.644 -6.732 12.527 1.00 0.00 H new ATOM 0 HE3 LYS A 55 5.189 -6.594 14.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 2.884 -6.112 14.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 3.682 -4.641 14.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 3.070 -4.987 12.864 1.00 0.00 H new ATOM 768 N GLY A 56 3.877 -1.673 9.442 1.00 0.00 N ATOM 769 CA GLY A 56 2.745 -0.790 9.626 1.00 0.00 C ATOM 770 C GLY A 56 2.659 0.278 8.554 1.00 0.00 C ATOM 771 O GLY A 56 1.731 1.090 8.553 1.00 0.00 O ATOM 0 H GLY A 56 3.766 -2.363 8.699 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.827 -1.377 9.623 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.816 -0.313 10.604 1.00 0.00 H new ATOM 775 N ALA A 57 3.625 0.284 7.646 1.00 0.00 N ATOM 776 CA ALA A 57 3.651 1.257 6.560 1.00 0.00 C ATOM 777 C ALA A 57 3.152 0.629 5.264 1.00 0.00 C ATOM 778 O ALA A 57 2.453 -0.383 5.287 1.00 0.00 O ATOM 779 CB ALA A 57 5.057 1.810 6.380 1.00 0.00 C ATOM 0 H ALA A 57 4.403 -0.375 7.639 1.00 0.00 H new ATOM 0 HA ALA A 57 2.985 2.081 6.818 1.00 0.00 H new ATOM 0 HB1 ALA A 57 5.061 2.535 5.566 1.00 0.00 H new ATOM 0 HB2 ALA A 57 5.377 2.297 7.301 1.00 0.00 H new ATOM 0 HB3 ALA A 57 5.741 0.995 6.144 1.00 0.00 H new ATOM 785 N ILE A 58 3.500 1.229 4.130 1.00 0.00 N ATOM 786 CA ILE A 58 3.033 0.745 2.837 1.00 0.00 C ATOM 787 C ILE A 58 4.194 0.730 1.832 1.00 0.00 C ATOM 788 O ILE A 58 5.295 1.164 2.152 1.00 0.00 O ATOM 789 CB ILE A 58 1.869 1.609 2.273 1.00 0.00 C ATOM 790 CG1 ILE A 58 0.871 2.014 3.366 1.00 0.00 C ATOM 791 CG2 ILE A 58 1.129 0.858 1.175 1.00 0.00 C ATOM 792 CD1 ILE A 58 1.249 3.278 4.114 1.00 0.00 C ATOM 0 H ILE A 58 4.103 2.050 4.081 1.00 0.00 H new ATOM 0 HA ILE A 58 2.655 -0.266 2.987 1.00 0.00 H new ATOM 0 HB ILE A 58 2.317 2.515 1.865 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.111 2.153 2.913 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.780 1.196 4.080 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.318 1.478 0.793 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.820 0.624 0.365 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.718 -0.067 1.580 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.492 3.494 4.868 1.00 0.00 H new ATOM 0 HD12 ILE A 58 2.215 3.139 4.599 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.311 4.111 3.413 1.00 0.00 H new ATOM 804 N LEU A 59 3.946 0.201 0.642 1.00 0.00 N ATOM 805 CA LEU A 59 4.949 0.113 -0.409 1.00 0.00 C ATOM 806 C LEU A 59 4.525 0.978 -1.597 1.00 0.00 C ATOM 807 O LEU A 59 3.378 1.410 -1.657 1.00 0.00 O ATOM 808 CB LEU A 59 5.072 -1.344 -0.852 1.00 0.00 C ATOM 809 CG LEU A 59 6.425 -1.755 -1.412 1.00 0.00 C ATOM 810 CD1 LEU A 59 7.465 -1.826 -0.303 1.00 0.00 C ATOM 811 CD2 LEU A 59 6.305 -3.087 -2.130 1.00 0.00 C ATOM 0 H LEU A 59 3.038 -0.181 0.378 1.00 0.00 H new ATOM 0 HA LEU A 59 5.909 0.468 -0.035 1.00 0.00 H new ATOM 0 HB2 LEU A 59 4.844 -1.983 0.001 1.00 0.00 H new ATOM 0 HB3 LEU A 59 4.312 -1.539 -1.609 1.00 0.00 H new ATOM 0 HG LEU A 59 6.753 -1.003 -2.129 1.00 0.00 H new ATOM 0 HD11 LEU A 59 8.426 -2.122 -0.724 1.00 0.00 H new ATOM 0 HD12 LEU A 59 7.561 -0.848 0.169 1.00 0.00 H new ATOM 0 HD13 LEU A 59 7.154 -2.559 0.441 1.00 0.00 H new ATOM 0 HD21 LEU A 59 7.278 -3.375 -2.528 1.00 0.00 H new ATOM 0 HD22 LEU A 59 5.960 -3.848 -1.430 1.00 0.00 H new ATOM 0 HD23 LEU A 59 5.591 -2.996 -2.948 1.00 0.00 H new ATOM 823 N GLN A 60 5.438 1.222 -2.537 1.00 0.00 N ATOM 824 CA GLN A 60 5.123 2.020 -3.722 1.00 0.00 C ATOM 825 C GLN A 60 6.205 1.899 -4.791 1.00 0.00 C ATOM 826 O GLN A 60 7.389 2.069 -4.521 1.00 0.00 O ATOM 827 CB GLN A 60 4.928 3.493 -3.338 1.00 0.00 C ATOM 828 CG GLN A 60 4.982 4.467 -4.510 1.00 0.00 C ATOM 829 CD GLN A 60 3.852 4.287 -5.505 1.00 0.00 C ATOM 830 OE1 GLN A 60 3.356 3.180 -5.728 1.00 0.00 O ATOM 831 NE2 GLN A 60 3.455 5.373 -6.137 1.00 0.00 N ATOM 0 H GLN A 60 6.398 0.880 -2.502 1.00 0.00 H new ATOM 0 HA GLN A 60 4.195 1.630 -4.140 1.00 0.00 H new ATOM 0 HB2 GLN A 60 3.966 3.600 -2.838 1.00 0.00 H new ATOM 0 HB3 GLN A 60 5.695 3.771 -2.616 1.00 0.00 H new ATOM 0 HG2 GLN A 60 4.956 5.486 -4.125 1.00 0.00 H new ATOM 0 HG3 GLN A 60 5.933 4.346 -5.028 1.00 0.00 H new ATOM 0 HE21 GLN A 60 3.888 6.272 -5.927 1.00 0.00 H new ATOM 0 HE22 GLN A 60 2.715 5.314 -6.836 1.00 0.00 H new ATOM 840 N SER A 61 5.774 1.610 -6.011 1.00 0.00 N ATOM 841 CA SER A 61 6.678 1.506 -7.149 1.00 0.00 C ATOM 842 C SER A 61 6.442 2.648 -8.136 1.00 0.00 C ATOM 843 O SER A 61 7.337 3.008 -8.904 1.00 0.00 O ATOM 844 CB SER A 61 6.482 0.156 -7.849 1.00 0.00 C ATOM 845 OG SER A 61 7.129 0.112 -9.111 1.00 0.00 O ATOM 0 H SER A 61 4.794 1.442 -6.240 1.00 0.00 H new ATOM 0 HA SER A 61 7.703 1.576 -6.784 1.00 0.00 H new ATOM 0 HB2 SER A 61 6.870 -0.641 -7.215 1.00 0.00 H new ATOM 0 HB3 SER A 61 5.417 -0.032 -7.981 1.00 0.00 H new ATOM 0 HG SER A 61 6.982 -0.765 -9.524 1.00 0.00 H new ATOM 851 N SER A 62 5.228 3.207 -8.104 1.00 0.00 N ATOM 852 CA SER A 62 4.785 4.239 -9.054 1.00 0.00 C ATOM 853 C SER A 62 4.540 3.646 -10.449 1.00 0.00 C ATOM 854 O SER A 62 3.717 4.148 -11.213 1.00 0.00 O ATOM 855 CB SER A 62 5.787 5.400 -9.122 1.00 0.00 C ATOM 856 OG SER A 62 5.989 5.975 -7.839 1.00 0.00 O ATOM 0 H SER A 62 4.519 2.956 -7.415 1.00 0.00 H new ATOM 0 HA SER A 62 3.838 4.634 -8.688 1.00 0.00 H new ATOM 0 HB2 SER A 62 6.737 5.042 -9.517 1.00 0.00 H new ATOM 0 HB3 SER A 62 5.421 6.161 -9.812 1.00 0.00 H new ATOM 0 HG SER A 62 6.632 6.711 -7.908 1.00 0.00 H new ATOM 862 N GLU A 63 5.246 2.570 -10.765 1.00 0.00 N ATOM 863 CA GLU A 63 5.061 1.864 -12.019 1.00 0.00 C ATOM 864 C GLU A 63 3.878 0.912 -11.901 1.00 0.00 C ATOM 865 O GLU A 63 3.556 0.450 -10.799 1.00 0.00 O ATOM 866 CB GLU A 63 6.329 1.080 -12.369 1.00 0.00 C ATOM 867 CG GLU A 63 7.595 1.922 -12.356 1.00 0.00 C ATOM 868 CD GLU A 63 7.644 2.934 -13.480 1.00 0.00 C ATOM 869 OE1 GLU A 63 6.902 3.934 -13.423 1.00 0.00 O ATOM 870 OE2 GLU A 63 8.433 2.733 -14.426 1.00 0.00 O ATOM 0 H GLU A 63 5.960 2.165 -10.160 1.00 0.00 H new ATOM 0 HA GLU A 63 4.862 2.586 -12.811 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.443 0.258 -11.662 1.00 0.00 H new ATOM 0 HB3 GLU A 63 6.209 0.636 -13.357 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.668 2.443 -11.402 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.462 1.265 -12.428 1.00 0.00 H new ATOM 877 N GLY A 64 3.234 0.624 -13.021 1.00 0.00 N ATOM 878 CA GLY A 64 2.112 -0.293 -13.024 1.00 0.00 C ATOM 879 C GLY A 64 0.829 0.372 -13.478 1.00 0.00 C ATOM 880 O GLY A 64 0.741 1.601 -13.486 1.00 0.00 O ATOM 0 H GLY A 64 3.470 1.012 -13.935 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.335 -1.134 -13.680 1.00 0.00 H new ATOM 0 HA3 GLY A 64 1.974 -0.698 -12.022 1.00 0.00 H new ATOM 884 N PRO A 65 -0.188 -0.420 -13.864 1.00 0.00 N ATOM 885 CA PRO A 65 -1.481 0.105 -14.330 1.00 0.00 C ATOM 886 C PRO A 65 -2.155 0.987 -13.282 1.00 0.00 C ATOM 887 O PRO A 65 -2.508 2.136 -13.549 1.00 0.00 O ATOM 888 CB PRO A 65 -2.318 -1.157 -14.594 1.00 0.00 C ATOM 889 CG PRO A 65 -1.613 -2.258 -13.878 1.00 0.00 C ATOM 890 CD PRO A 65 -0.156 -1.891 -13.881 1.00 0.00 C ATOM 0 HA PRO A 65 -1.368 0.739 -15.209 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -3.336 -1.037 -14.224 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -2.389 -1.365 -15.662 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -1.987 -2.362 -12.859 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -1.775 -3.214 -14.376 1.00 0.00 H new ATOM 0 HD2 PRO A 65 0.364 -2.294 -13.012 1.00 0.00 H new ATOM 0 HD3 PRO A 65 0.355 -2.274 -14.764 1.00 0.00 H new ATOM 898 N PHE A 66 -2.328 0.441 -12.087 1.00 0.00 N ATOM 899 CA PHE A 66 -2.859 1.205 -10.969 1.00 0.00 C ATOM 900 C PHE A 66 -1.721 1.673 -10.080 1.00 0.00 C ATOM 901 O PHE A 66 -1.924 2.444 -9.148 1.00 0.00 O ATOM 902 CB PHE A 66 -3.831 0.362 -10.140 1.00 0.00 C ATOM 903 CG PHE A 66 -5.113 0.018 -10.844 1.00 0.00 C ATOM 904 CD1 PHE A 66 -5.219 -1.137 -11.601 1.00 0.00 C ATOM 905 CD2 PHE A 66 -6.219 0.849 -10.739 1.00 0.00 C ATOM 906 CE1 PHE A 66 -6.401 -1.457 -12.242 1.00 0.00 C ATOM 907 CE2 PHE A 66 -7.403 0.534 -11.378 1.00 0.00 C ATOM 908 CZ PHE A 66 -7.494 -0.620 -12.130 1.00 0.00 C ATOM 0 H PHE A 66 -2.108 -0.530 -11.867 1.00 0.00 H new ATOM 0 HA PHE A 66 -3.396 2.064 -11.370 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -3.332 -0.562 -9.847 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -4.068 0.901 -9.222 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -4.368 -1.796 -11.692 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -6.154 1.753 -10.151 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -6.470 -2.360 -12.830 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -8.256 1.190 -11.289 1.00 0.00 H new ATOM 0 HZ PHE A 66 -8.419 -0.868 -12.630 1.00 0.00 H new ATOM 918 N GLY A 67 -0.519 1.210 -10.393 1.00 0.00 N ATOM 919 CA GLY A 67 0.626 1.448 -9.538 1.00 0.00 C ATOM 920 C GLY A 67 0.979 0.210 -8.738 1.00 0.00 C ATOM 921 O GLY A 67 0.615 -0.896 -9.125 1.00 0.00 O ATOM 0 H GLY A 67 -0.316 0.668 -11.233 1.00 0.00 H new ATOM 0 HA2 GLY A 67 1.480 1.748 -10.145 1.00 0.00 H new ATOM 0 HA3 GLY A 67 0.411 2.274 -8.860 1.00 0.00 H new ATOM 925 N HIS A 68 1.677 0.387 -7.621 1.00 0.00 N ATOM 926 CA HIS A 68 2.040 -0.734 -6.752 1.00 0.00 C ATOM 927 C HIS A 68 2.150 -0.294 -5.303 1.00 0.00 C ATOM 928 O HIS A 68 3.247 0.024 -4.851 1.00 0.00 O ATOM 929 CB HIS A 68 3.392 -1.342 -7.145 1.00 0.00 C ATOM 930 CG HIS A 68 3.357 -2.287 -8.310 1.00 0.00 C ATOM 931 ND1 HIS A 68 3.667 -1.917 -9.603 1.00 0.00 N ATOM 932 CD2 HIS A 68 3.092 -3.614 -8.357 1.00 0.00 C ATOM 933 CE1 HIS A 68 3.599 -2.975 -10.389 1.00 0.00 C ATOM 934 NE2 HIS A 68 3.255 -4.014 -9.656 1.00 0.00 N ATOM 0 H HIS A 68 2.004 1.296 -7.293 1.00 0.00 H new ATOM 0 HA HIS A 68 1.248 -1.473 -6.869 1.00 0.00 H new ATOM 0 HB2 HIS A 68 4.082 -0.531 -7.377 1.00 0.00 H new ATOM 0 HB3 HIS A 68 3.799 -1.870 -6.282 1.00 0.00 H new ATOM 0 HD1 HIS A 68 3.911 -0.973 -9.904 1.00 0.00 H new ATOM 0 HD2 HIS A 68 2.805 -4.240 -7.525 1.00 0.00 H new ATOM 0 HE1 HIS A 68 3.792 -2.987 -11.451 1.00 0.00 H new ATOM 943 N VAL A 69 1.041 -0.248 -4.572 1.00 0.00 N ATOM 944 CA VAL A 69 1.129 -0.003 -3.150 1.00 0.00 C ATOM 945 C VAL A 69 0.611 -1.195 -2.360 1.00 0.00 C ATOM 946 O VAL A 69 -0.577 -1.517 -2.366 1.00 0.00 O ATOM 947 CB VAL A 69 0.399 1.289 -2.743 1.00 0.00 C ATOM 948 CG1 VAL A 69 1.046 2.468 -3.443 1.00 0.00 C ATOM 949 CG2 VAL A 69 -1.087 1.229 -3.066 1.00 0.00 C ATOM 0 H VAL A 69 0.096 -0.374 -4.935 1.00 0.00 H new ATOM 0 HA VAL A 69 2.183 0.134 -2.910 1.00 0.00 H new ATOM 0 HB VAL A 69 0.486 1.406 -1.663 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.533 3.387 -3.158 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.094 2.533 -3.152 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.977 2.333 -4.522 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -1.563 2.161 -2.762 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.221 1.086 -4.138 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.543 0.397 -2.529 1.00 0.00 H new ATOM 959 N ALA A 70 1.536 -1.867 -1.710 1.00 0.00 N ATOM 960 CA ALA A 70 1.209 -2.997 -0.873 1.00 0.00 C ATOM 961 C ALA A 70 1.456 -2.635 0.573 1.00 0.00 C ATOM 962 O ALA A 70 2.499 -2.077 0.906 1.00 0.00 O ATOM 963 CB ALA A 70 2.037 -4.207 -1.260 1.00 0.00 C ATOM 0 H ALA A 70 2.531 -1.646 -1.747 1.00 0.00 H new ATOM 0 HA ALA A 70 0.157 -3.249 -1.010 1.00 0.00 H new ATOM 0 HB1 ALA A 70 1.775 -5.048 -0.617 1.00 0.00 H new ATOM 0 HB2 ALA A 70 1.836 -4.468 -2.299 1.00 0.00 H new ATOM 0 HB3 ALA A 70 3.096 -3.976 -1.142 1.00 0.00 H new ATOM 969 N TYR A 71 0.510 -2.942 1.433 1.00 0.00 N ATOM 970 CA TYR A 71 0.638 -2.596 2.831 1.00 0.00 C ATOM 971 C TYR A 71 1.703 -3.468 3.484 1.00 0.00 C ATOM 972 O TYR A 71 1.672 -4.693 3.369 1.00 0.00 O ATOM 973 CB TYR A 71 -0.712 -2.737 3.532 1.00 0.00 C ATOM 974 CG TYR A 71 -0.618 -2.764 5.039 1.00 0.00 C ATOM 975 CD1 TYR A 71 -0.609 -1.590 5.779 1.00 0.00 C ATOM 976 CD2 TYR A 71 -0.531 -3.972 5.717 1.00 0.00 C ATOM 977 CE1 TYR A 71 -0.518 -1.618 7.158 1.00 0.00 C ATOM 978 CE2 TYR A 71 -0.441 -4.007 7.094 1.00 0.00 C ATOM 979 CZ TYR A 71 -0.434 -2.829 7.809 1.00 0.00 C ATOM 980 OH TYR A 71 -0.349 -2.866 9.183 1.00 0.00 O ATOM 0 H TYR A 71 -0.353 -3.429 1.190 1.00 0.00 H new ATOM 0 HA TYR A 71 0.952 -1.556 2.922 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -1.354 -1.909 3.232 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -1.194 -3.653 3.191 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -0.674 -0.640 5.270 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -0.534 -4.897 5.160 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -0.513 -0.697 7.721 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -0.376 -4.954 7.609 1.00 0.00 H new ATOM 0 HH TYR A 71 -0.298 -3.798 9.483 1.00 0.00 H new ATOM 990 N VAL A 72 2.646 -2.831 4.155 1.00 0.00 N ATOM 991 CA VAL A 72 3.758 -3.535 4.763 1.00 0.00 C ATOM 992 C VAL A 72 3.348 -4.113 6.108 1.00 0.00 C ATOM 993 O VAL A 72 3.156 -3.379 7.080 1.00 0.00 O ATOM 994 CB VAL A 72 4.976 -2.612 4.965 1.00 0.00 C ATOM 995 CG1 VAL A 72 6.186 -3.414 5.424 1.00 0.00 C ATOM 996 CG2 VAL A 72 5.287 -1.838 3.693 1.00 0.00 C ATOM 0 H VAL A 72 2.662 -1.820 4.292 1.00 0.00 H new ATOM 0 HA VAL A 72 4.039 -4.339 4.082 1.00 0.00 H new ATOM 0 HB VAL A 72 4.731 -1.890 5.744 1.00 0.00 H new ATOM 0 HG11 VAL A 72 7.035 -2.745 5.561 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.958 -3.909 6.368 1.00 0.00 H new ATOM 0 HG13 VAL A 72 6.432 -4.164 4.672 1.00 0.00 H new ATOM 0 HG21 VAL A 72 6.150 -1.194 3.861 1.00 0.00 H new ATOM 0 HG22 VAL A 72 5.507 -2.537 2.886 1.00 0.00 H new ATOM 0 HG23 VAL A 72 4.427 -1.227 3.419 1.00 0.00 H new ATOM 1006 N GLU A 73 3.219 -5.427 6.154 1.00 0.00 N ATOM 1007 CA GLU A 73 2.840 -6.120 7.374 1.00 0.00 C ATOM 1008 C GLU A 73 3.983 -6.082 8.378 1.00 0.00 C ATOM 1009 O GLU A 73 3.757 -6.044 9.588 1.00 0.00 O ATOM 1010 CB GLU A 73 2.466 -7.568 7.050 1.00 0.00 C ATOM 1011 CG GLU A 73 1.177 -7.700 6.254 1.00 0.00 C ATOM 1012 CD GLU A 73 -0.059 -7.651 7.129 1.00 0.00 C ATOM 1013 OE1 GLU A 73 -0.099 -6.841 8.075 1.00 0.00 O ATOM 1014 OE2 GLU A 73 -1.003 -8.426 6.877 1.00 0.00 O ATOM 0 H GLU A 73 3.372 -6.041 5.354 1.00 0.00 H new ATOM 0 HA GLU A 73 1.977 -5.620 7.814 1.00 0.00 H new ATOM 0 HB2 GLU A 73 3.279 -8.027 6.488 1.00 0.00 H new ATOM 0 HB3 GLU A 73 2.367 -8.126 7.981 1.00 0.00 H new ATOM 0 HG2 GLU A 73 1.127 -6.899 5.516 1.00 0.00 H new ATOM 0 HG3 GLU A 73 1.190 -8.640 5.703 1.00 0.00 H new ATOM 1021 N SER A 74 5.211 -6.053 7.861 1.00 0.00 N ATOM 1022 CA SER A 74 6.400 -6.099 8.696 1.00 0.00 C ATOM 1023 C SER A 74 7.653 -6.173 7.832 1.00 0.00 C ATOM 1024 O SER A 74 7.592 -6.541 6.656 1.00 0.00 O ATOM 1025 CB SER A 74 6.351 -7.319 9.629 1.00 0.00 C ATOM 1026 OG SER A 74 7.416 -7.303 10.565 1.00 0.00 O ATOM 0 H SER A 74 5.404 -5.997 6.861 1.00 0.00 H new ATOM 0 HA SER A 74 6.431 -5.189 9.295 1.00 0.00 H new ATOM 0 HB2 SER A 74 5.399 -7.334 10.160 1.00 0.00 H new ATOM 0 HB3 SER A 74 6.400 -8.233 9.037 1.00 0.00 H new ATOM 0 HG SER A 74 7.355 -8.091 11.144 1.00 0.00 H new ATOM 1032 N VAL A 75 8.780 -5.816 8.418 1.00 0.00 N ATOM 1033 CA VAL A 75 10.064 -5.976 7.766 1.00 0.00 C ATOM 1034 C VAL A 75 10.880 -7.015 8.529 1.00 0.00 C ATOM 1035 O VAL A 75 11.130 -6.874 9.729 1.00 0.00 O ATOM 1036 CB VAL A 75 10.837 -4.636 7.650 1.00 0.00 C ATOM 1037 CG1 VAL A 75 11.005 -3.969 9.010 1.00 0.00 C ATOM 1038 CG2 VAL A 75 12.188 -4.856 6.978 1.00 0.00 C ATOM 0 H VAL A 75 8.831 -5.410 9.352 1.00 0.00 H new ATOM 0 HA VAL A 75 9.893 -6.318 6.745 1.00 0.00 H new ATOM 0 HB VAL A 75 10.248 -3.962 7.028 1.00 0.00 H new ATOM 0 HG11 VAL A 75 11.551 -3.033 8.891 1.00 0.00 H new ATOM 0 HG12 VAL A 75 10.024 -3.765 9.439 1.00 0.00 H new ATOM 0 HG13 VAL A 75 11.561 -4.631 9.674 1.00 0.00 H new ATOM 0 HG21 VAL A 75 12.717 -3.906 6.905 1.00 0.00 H new ATOM 0 HG22 VAL A 75 12.779 -5.556 7.569 1.00 0.00 H new ATOM 0 HG23 VAL A 75 12.035 -5.264 5.979 1.00 0.00 H new ATOM 1048 N ASN A 76 11.266 -8.071 7.834 1.00 0.00 N ATOM 1049 CA ASN A 76 11.910 -9.210 8.467 1.00 0.00 C ATOM 1050 C ASN A 76 13.344 -8.878 8.851 1.00 0.00 C ATOM 1051 O ASN A 76 13.964 -7.987 8.270 1.00 0.00 O ATOM 1052 CB ASN A 76 11.888 -10.436 7.548 1.00 0.00 C ATOM 1053 CG ASN A 76 10.479 -10.897 7.218 1.00 0.00 C ATOM 1054 OD1 ASN A 76 9.895 -11.712 7.933 1.00 0.00 O ATOM 1055 ND2 ASN A 76 9.926 -10.386 6.126 1.00 0.00 N ATOM 0 H ASN A 76 11.144 -8.164 6.826 1.00 0.00 H new ATOM 0 HA ASN A 76 11.349 -9.443 9.372 1.00 0.00 H new ATOM 0 HB2 ASN A 76 12.415 -10.201 6.623 1.00 0.00 H new ATOM 0 HB3 ASN A 76 12.430 -11.252 8.025 1.00 0.00 H new ATOM 0 HD21 ASN A 76 8.984 -10.666 5.853 1.00 0.00 H new ATOM 0 HD22 ASN A 76 10.443 -9.713 5.560 1.00 0.00 H new ATOM 1062 N SER A 77 13.868 -9.615 9.817 1.00 0.00 N ATOM 1063 CA SER A 77 15.214 -9.393 10.323 1.00 0.00 C ATOM 1064 C SER A 77 16.278 -9.717 9.274 1.00 0.00 C ATOM 1065 O SER A 77 17.443 -9.355 9.427 1.00 0.00 O ATOM 1066 CB SER A 77 15.415 -10.241 11.573 1.00 0.00 C ATOM 1067 OG SER A 77 14.798 -11.511 11.419 1.00 0.00 O ATOM 0 H SER A 77 13.374 -10.383 10.272 1.00 0.00 H new ATOM 0 HA SER A 77 15.326 -8.337 10.568 1.00 0.00 H new ATOM 0 HB2 SER A 77 16.480 -10.369 11.765 1.00 0.00 H new ATOM 0 HB3 SER A 77 14.994 -9.729 12.438 1.00 0.00 H new ATOM 0 HG SER A 77 14.938 -12.043 12.230 1.00 0.00 H new ATOM 1073 N ASP A 78 15.870 -10.393 8.206 1.00 0.00 N ATOM 1074 CA ASP A 78 16.779 -10.731 7.114 1.00 0.00 C ATOM 1075 C ASP A 78 16.853 -9.601 6.096 1.00 0.00 C ATOM 1076 O ASP A 78 17.581 -9.687 5.106 1.00 0.00 O ATOM 1077 CB ASP A 78 16.329 -12.015 6.411 1.00 0.00 C ATOM 1078 CG ASP A 78 16.551 -13.254 7.249 1.00 0.00 C ATOM 1079 OD1 ASP A 78 15.739 -13.513 8.160 1.00 0.00 O ATOM 1080 OD2 ASP A 78 17.527 -13.985 6.992 1.00 0.00 O ATOM 0 H ASP A 78 14.913 -10.719 8.072 1.00 0.00 H new ATOM 0 HA ASP A 78 17.767 -10.885 7.547 1.00 0.00 H new ATOM 0 HB2 ASP A 78 15.271 -11.935 6.163 1.00 0.00 H new ATOM 0 HB3 ASP A 78 16.870 -12.117 5.470 1.00 0.00 H new ATOM 1085 N GLY A 79 16.081 -8.549 6.330 1.00 0.00 N ATOM 1086 CA GLY A 79 16.064 -7.425 5.417 1.00 0.00 C ATOM 1087 C GLY A 79 14.916 -7.512 4.437 1.00 0.00 C ATOM 1088 O GLY A 79 14.539 -6.518 3.818 1.00 0.00 O ATOM 0 H GLY A 79 15.465 -8.454 7.138 1.00 0.00 H new ATOM 0 HA2 GLY A 79 15.987 -6.498 5.984 1.00 0.00 H new ATOM 0 HA3 GLY A 79 17.006 -7.387 4.870 1.00 0.00 H new ATOM 1092 N SER A 80 14.363 -8.709 4.295 1.00 0.00 N ATOM 1093 CA SER A 80 13.234 -8.929 3.410 1.00 0.00 C ATOM 1094 C SER A 80 11.965 -8.346 4.018 1.00 0.00 C ATOM 1095 O SER A 80 11.748 -8.427 5.222 1.00 0.00 O ATOM 1096 CB SER A 80 13.054 -10.423 3.152 1.00 0.00 C ATOM 1097 OG SER A 80 14.280 -11.023 2.762 1.00 0.00 O ATOM 0 H SER A 80 14.682 -9.545 4.785 1.00 0.00 H new ATOM 0 HA SER A 80 13.429 -8.428 2.462 1.00 0.00 H new ATOM 0 HB2 SER A 80 12.678 -10.908 4.052 1.00 0.00 H new ATOM 0 HB3 SER A 80 12.307 -10.574 2.373 1.00 0.00 H new ATOM 0 HG SER A 80 14.140 -11.980 2.604 1.00 0.00 H new ATOM 1103 N VAL A 81 11.135 -7.764 3.182 1.00 0.00 N ATOM 1104 CA VAL A 81 9.935 -7.090 3.641 1.00 0.00 C ATOM 1105 C VAL A 81 8.685 -7.877 3.262 1.00 0.00 C ATOM 1106 O VAL A 81 8.501 -8.257 2.104 1.00 0.00 O ATOM 1107 CB VAL A 81 9.854 -5.662 3.061 1.00 0.00 C ATOM 1108 CG1 VAL A 81 8.578 -4.965 3.500 1.00 0.00 C ATOM 1109 CG2 VAL A 81 11.076 -4.860 3.479 1.00 0.00 C ATOM 0 H VAL A 81 11.268 -7.743 2.171 1.00 0.00 H new ATOM 0 HA VAL A 81 9.987 -7.026 4.728 1.00 0.00 H new ATOM 0 HB VAL A 81 9.835 -5.733 1.973 1.00 0.00 H new ATOM 0 HG11 VAL A 81 8.548 -3.961 3.077 1.00 0.00 H new ATOM 0 HG12 VAL A 81 7.715 -5.532 3.151 1.00 0.00 H new ATOM 0 HG13 VAL A 81 8.554 -4.901 4.588 1.00 0.00 H new ATOM 0 HG21 VAL A 81 11.010 -3.854 3.065 1.00 0.00 H new ATOM 0 HG22 VAL A 81 11.119 -4.803 4.567 1.00 0.00 H new ATOM 0 HG23 VAL A 81 11.976 -5.348 3.105 1.00 0.00 H new ATOM 1119 N THR A 82 7.837 -8.121 4.250 1.00 0.00 N ATOM 1120 CA THR A 82 6.588 -8.826 4.035 1.00 0.00 C ATOM 1121 C THR A 82 5.464 -7.830 3.763 1.00 0.00 C ATOM 1122 O THR A 82 5.089 -7.044 4.637 1.00 0.00 O ATOM 1123 CB THR A 82 6.231 -9.705 5.252 1.00 0.00 C ATOM 1124 OG1 THR A 82 7.214 -10.739 5.409 1.00 0.00 O ATOM 1125 CG2 THR A 82 4.850 -10.330 5.097 1.00 0.00 C ATOM 0 H THR A 82 7.996 -7.837 5.217 1.00 0.00 H new ATOM 0 HA THR A 82 6.710 -9.476 3.168 1.00 0.00 H new ATOM 0 HB THR A 82 6.220 -9.069 6.137 1.00 0.00 H new ATOM 0 HG1 THR A 82 7.650 -10.909 4.548 1.00 0.00 H new ATOM 0 HG21 THR A 82 4.628 -10.943 5.970 1.00 0.00 H new ATOM 0 HG22 THR A 82 4.102 -9.542 5.007 1.00 0.00 H new ATOM 0 HG23 THR A 82 4.831 -10.952 4.202 1.00 0.00 H new ATOM 1133 N ILE A 83 4.947 -7.851 2.543 1.00 0.00 N ATOM 1134 CA ILE A 83 3.889 -6.938 2.151 1.00 0.00 C ATOM 1135 C ILE A 83 2.600 -7.694 1.856 1.00 0.00 C ATOM 1136 O ILE A 83 2.630 -8.864 1.463 1.00 0.00 O ATOM 1137 CB ILE A 83 4.283 -6.109 0.911 1.00 0.00 C ATOM 1138 CG1 ILE A 83 4.663 -7.033 -0.250 1.00 0.00 C ATOM 1139 CG2 ILE A 83 5.422 -5.157 1.243 1.00 0.00 C ATOM 1140 CD1 ILE A 83 4.916 -6.305 -1.553 1.00 0.00 C ATOM 0 H ILE A 83 5.245 -8.492 1.808 1.00 0.00 H new ATOM 0 HA ILE A 83 3.730 -6.260 2.990 1.00 0.00 H new ATOM 0 HB ILE A 83 3.424 -5.512 0.605 1.00 0.00 H new ATOM 0 HG12 ILE A 83 5.557 -7.593 0.022 1.00 0.00 H new ATOM 0 HG13 ILE A 83 3.865 -7.760 -0.400 1.00 0.00 H new ATOM 0 HG21 ILE A 83 5.685 -4.581 0.356 1.00 0.00 H new ATOM 0 HG22 ILE A 83 5.109 -4.478 2.036 1.00 0.00 H new ATOM 0 HG23 ILE A 83 6.289 -5.728 1.575 1.00 0.00 H new ATOM 0 HD11 ILE A 83 5.180 -7.026 -2.327 1.00 0.00 H new ATOM 0 HD12 ILE A 83 4.016 -5.767 -1.850 1.00 0.00 H new ATOM 0 HD13 ILE A 83 5.735 -5.598 -1.422 1.00 0.00 H new ATOM 1152 N SER A 84 1.478 -7.024 2.048 1.00 0.00 N ATOM 1153 CA SER A 84 0.181 -7.615 1.798 1.00 0.00 C ATOM 1154 C SER A 84 -0.681 -6.661 0.974 1.00 0.00 C ATOM 1155 O SER A 84 -1.036 -5.571 1.428 1.00 0.00 O ATOM 1156 CB SER A 84 -0.501 -7.953 3.129 1.00 0.00 C ATOM 1157 OG SER A 84 -1.675 -8.722 2.935 1.00 0.00 O ATOM 0 H SER A 84 1.443 -6.060 2.380 1.00 0.00 H new ATOM 0 HA SER A 84 0.309 -8.536 1.230 1.00 0.00 H new ATOM 0 HB2 SER A 84 0.193 -8.503 3.765 1.00 0.00 H new ATOM 0 HB3 SER A 84 -0.752 -7.031 3.654 1.00 0.00 H new ATOM 0 HG SER A 84 -2.432 -8.279 3.372 1.00 0.00 H new ATOM 1163 N GLU A 85 -0.980 -7.066 -0.249 1.00 0.00 N ATOM 1164 CA GLU A 85 -1.856 -6.300 -1.127 1.00 0.00 C ATOM 1165 C GLU A 85 -2.917 -7.219 -1.730 1.00 0.00 C ATOM 1166 O GLU A 85 -2.609 -8.301 -2.219 1.00 0.00 O ATOM 1167 CB GLU A 85 -1.047 -5.596 -2.226 1.00 0.00 C ATOM 1168 CG GLU A 85 -0.281 -6.534 -3.148 1.00 0.00 C ATOM 1169 CD GLU A 85 0.614 -5.794 -4.125 1.00 0.00 C ATOM 1170 OE1 GLU A 85 0.089 -5.019 -4.953 1.00 0.00 O ATOM 1171 OE2 GLU A 85 1.849 -5.979 -4.062 1.00 0.00 O ATOM 0 H GLU A 85 -0.626 -7.929 -0.662 1.00 0.00 H new ATOM 0 HA GLU A 85 -2.356 -5.529 -0.541 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -1.726 -4.991 -2.827 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -0.340 -4.912 -1.757 1.00 0.00 H new ATOM 0 HG2 GLU A 85 0.326 -7.212 -2.547 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -0.989 -7.148 -3.704 1.00 0.00 H new ATOM 1178 N MET A 86 -4.170 -6.803 -1.661 1.00 0.00 N ATOM 1179 CA MET A 86 -5.274 -7.631 -2.125 1.00 0.00 C ATOM 1180 C MET A 86 -5.584 -7.339 -3.590 1.00 0.00 C ATOM 1181 O MET A 86 -5.591 -6.177 -3.996 1.00 0.00 O ATOM 1182 CB MET A 86 -6.523 -7.368 -1.275 1.00 0.00 C ATOM 1183 CG MET A 86 -7.632 -8.385 -1.476 1.00 0.00 C ATOM 1184 SD MET A 86 -7.515 -9.788 -0.349 1.00 0.00 S ATOM 1185 CE MET A 86 -7.892 -9.011 1.220 1.00 0.00 C ATOM 0 H MET A 86 -4.450 -5.896 -1.288 1.00 0.00 H new ATOM 0 HA MET A 86 -4.983 -8.677 -2.027 1.00 0.00 H new ATOM 0 HB2 MET A 86 -6.239 -7.359 -0.223 1.00 0.00 H new ATOM 0 HB3 MET A 86 -6.907 -6.375 -1.510 1.00 0.00 H new ATOM 0 HG2 MET A 86 -8.596 -7.895 -1.338 1.00 0.00 H new ATOM 0 HG3 MET A 86 -7.603 -8.748 -2.503 1.00 0.00 H new ATOM 0 HE1 MET A 86 -7.048 -9.134 1.899 1.00 0.00 H new ATOM 0 HE2 MET A 86 -8.080 -7.949 1.064 1.00 0.00 H new ATOM 0 HE3 MET A 86 -8.777 -9.476 1.653 1.00 0.00 H new ATOM 1195 N ASN A 87 -5.807 -8.402 -4.370 1.00 0.00 N ATOM 1196 CA ASN A 87 -6.267 -8.306 -5.767 1.00 0.00 C ATOM 1197 C ASN A 87 -5.201 -7.727 -6.695 1.00 0.00 C ATOM 1198 O ASN A 87 -4.706 -8.428 -7.578 1.00 0.00 O ATOM 1199 CB ASN A 87 -7.560 -7.479 -5.871 1.00 0.00 C ATOM 1200 CG ASN A 87 -8.087 -7.355 -7.294 1.00 0.00 C ATOM 1201 OD1 ASN A 87 -8.861 -8.187 -7.756 1.00 0.00 O ATOM 1202 ND2 ASN A 87 -7.698 -6.299 -7.990 1.00 0.00 N ATOM 0 H ASN A 87 -5.674 -9.362 -4.051 1.00 0.00 H new ATOM 0 HA ASN A 87 -6.470 -9.326 -6.094 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -8.327 -7.937 -5.246 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -7.377 -6.482 -5.471 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -8.043 -6.159 -8.940 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -7.053 -5.625 -7.577 1.00 0.00 H new ATOM 1209 N TYR A 88 -4.851 -6.457 -6.480 1.00 0.00 N ATOM 1210 CA TYR A 88 -3.969 -5.714 -7.382 1.00 0.00 C ATOM 1211 C TYR A 88 -4.625 -5.525 -8.746 1.00 0.00 C ATOM 1212 O TYR A 88 -5.235 -4.489 -9.014 1.00 0.00 O ATOM 1213 CB TYR A 88 -2.597 -6.400 -7.527 1.00 0.00 C ATOM 1214 CG TYR A 88 -1.683 -5.731 -8.534 1.00 0.00 C ATOM 1215 CD1 TYR A 88 -1.428 -4.368 -8.470 1.00 0.00 C ATOM 1216 CD2 TYR A 88 -1.094 -6.461 -9.560 1.00 0.00 C ATOM 1217 CE1 TYR A 88 -0.610 -3.753 -9.394 1.00 0.00 C ATOM 1218 CE2 TYR A 88 -0.275 -5.850 -10.490 1.00 0.00 C ATOM 1219 CZ TYR A 88 -0.036 -4.496 -10.401 1.00 0.00 C ATOM 1220 OH TYR A 88 0.776 -3.880 -11.324 1.00 0.00 O ATOM 0 H TYR A 88 -5.171 -5.916 -5.677 1.00 0.00 H new ATOM 0 HA TYR A 88 -3.801 -4.732 -6.941 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -2.103 -6.414 -6.555 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -2.749 -7.438 -7.822 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -1.878 -3.780 -7.684 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -1.280 -7.523 -9.631 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -0.420 -2.692 -9.328 1.00 0.00 H new ATOM 0 HE2 TYR A 88 0.175 -6.430 -11.282 1.00 0.00 H new ATOM 0 HH TYR A 88 1.102 -4.544 -11.967 1.00 0.00 H new ATOM 1230 N SER A 89 -4.517 -6.536 -9.589 1.00 0.00 N ATOM 1231 CA SER A 89 -5.081 -6.499 -10.925 1.00 0.00 C ATOM 1232 C SER A 89 -5.275 -7.917 -11.442 1.00 0.00 C ATOM 1233 O SER A 89 -4.372 -8.499 -12.051 1.00 0.00 O ATOM 1234 CB SER A 89 -4.174 -5.714 -11.880 1.00 0.00 C ATOM 1235 OG SER A 89 -4.005 -4.374 -11.447 1.00 0.00 O ATOM 0 H SER A 89 -4.035 -7.407 -9.366 1.00 0.00 H new ATOM 0 HA SER A 89 -6.046 -5.995 -10.878 1.00 0.00 H new ATOM 0 HB2 SER A 89 -3.202 -6.203 -11.945 1.00 0.00 H new ATOM 0 HB3 SER A 89 -4.603 -5.723 -12.882 1.00 0.00 H new ATOM 0 HG SER A 89 -4.531 -4.224 -10.633 1.00 0.00 H new ATOM 1241 N GLY A 90 -6.434 -8.486 -11.162 1.00 0.00 N ATOM 1242 CA GLY A 90 -6.717 -9.826 -11.628 1.00 0.00 C ATOM 1243 C GLY A 90 -7.709 -10.553 -10.750 1.00 0.00 C ATOM 1244 O GLY A 90 -8.920 -10.371 -10.891 1.00 0.00 O ATOM 0 H GLY A 90 -7.181 -8.048 -10.623 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -7.106 -9.778 -12.645 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -5.789 -10.396 -11.668 1.00 0.00 H new ATOM 1248 N GLY A 91 -7.196 -11.371 -9.840 1.00 0.00 N ATOM 1249 CA GLY A 91 -8.048 -12.166 -8.982 1.00 0.00 C ATOM 1250 C GLY A 91 -8.676 -11.346 -7.877 1.00 0.00 C ATOM 1251 O GLY A 91 -7.968 -10.818 -7.016 1.00 0.00 O ATOM 0 H GLY A 91 -6.196 -11.497 -9.681 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -8.834 -12.627 -9.581 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -7.464 -12.976 -8.544 1.00 0.00 H new ATOM 1255 N PRO A 92 -10.009 -11.210 -7.880 1.00 0.00 N ATOM 1256 CA PRO A 92 -10.728 -10.416 -6.884 1.00 0.00 C ATOM 1257 C PRO A 92 -10.517 -10.942 -5.474 1.00 0.00 C ATOM 1258 O PRO A 92 -10.851 -12.089 -5.173 1.00 0.00 O ATOM 1259 CB PRO A 92 -12.194 -10.541 -7.305 1.00 0.00 C ATOM 1260 CG PRO A 92 -12.142 -10.953 -8.735 1.00 0.00 C ATOM 1261 CD PRO A 92 -10.925 -11.819 -8.855 1.00 0.00 C ATOM 0 HA PRO A 92 -10.380 -9.384 -6.854 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -12.719 -11.280 -6.699 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -12.723 -9.596 -7.184 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -13.042 -11.498 -9.020 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -12.073 -10.086 -9.392 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -11.141 -12.860 -8.614 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -10.513 -11.804 -9.864 1.00 0.00 H new ATOM 1269 N PHE A 93 -9.943 -10.092 -4.629 1.00 0.00 N ATOM 1270 CA PHE A 93 -9.605 -10.436 -3.250 1.00 0.00 C ATOM 1271 C PHE A 93 -8.520 -11.500 -3.178 1.00 0.00 C ATOM 1272 O PHE A 93 -8.339 -12.138 -2.141 1.00 0.00 O ATOM 1273 CB PHE A 93 -10.822 -10.900 -2.453 1.00 0.00 C ATOM 1274 CG PHE A 93 -11.884 -9.847 -2.281 1.00 0.00 C ATOM 1275 CD1 PHE A 93 -11.747 -8.857 -1.320 1.00 0.00 C ATOM 1276 CD2 PHE A 93 -13.019 -9.848 -3.078 1.00 0.00 C ATOM 1277 CE1 PHE A 93 -12.720 -7.889 -1.158 1.00 0.00 C ATOM 1278 CE2 PHE A 93 -13.995 -8.881 -2.920 1.00 0.00 C ATOM 1279 CZ PHE A 93 -13.845 -7.901 -1.958 1.00 0.00 C ATOM 0 H PHE A 93 -9.696 -9.135 -4.883 1.00 0.00 H new ATOM 0 HA PHE A 93 -9.228 -9.517 -2.802 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -11.261 -11.765 -2.951 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -10.493 -11.232 -1.469 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -10.870 -8.842 -0.691 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -13.142 -10.613 -3.831 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -12.600 -7.123 -0.406 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -14.874 -8.892 -3.548 1.00 0.00 H new ATOM 0 HZ PHE A 93 -14.606 -7.146 -1.832 1.00 0.00 H new ATOM 1289 N SER A 94 -7.791 -11.698 -4.260 1.00 0.00 N ATOM 1290 CA SER A 94 -6.608 -12.525 -4.192 1.00 0.00 C ATOM 1291 C SER A 94 -5.488 -11.719 -3.569 1.00 0.00 C ATOM 1292 O SER A 94 -4.711 -11.065 -4.270 1.00 0.00 O ATOM 1293 CB SER A 94 -6.186 -13.036 -5.570 1.00 0.00 C ATOM 1294 OG SER A 94 -7.179 -13.880 -6.131 1.00 0.00 O ATOM 0 H SER A 94 -7.994 -11.305 -5.179 1.00 0.00 H new ATOM 0 HA SER A 94 -6.832 -13.400 -3.582 1.00 0.00 H new ATOM 0 HB2 SER A 94 -6.006 -12.191 -6.234 1.00 0.00 H new ATOM 0 HB3 SER A 94 -5.246 -13.582 -5.486 1.00 0.00 H new ATOM 0 HG SER A 94 -6.822 -14.317 -6.933 1.00 0.00 H new ATOM 1300 N VAL A 95 -5.466 -11.692 -2.244 1.00 0.00 N ATOM 1301 CA VAL A 95 -4.398 -11.033 -1.522 1.00 0.00 C ATOM 1302 C VAL A 95 -3.058 -11.626 -1.950 1.00 0.00 C ATOM 1303 O VAL A 95 -2.722 -12.761 -1.615 1.00 0.00 O ATOM 1304 CB VAL A 95 -4.588 -11.127 0.013 1.00 0.00 C ATOM 1305 CG1 VAL A 95 -4.994 -12.530 0.423 1.00 0.00 C ATOM 1306 CG2 VAL A 95 -3.327 -10.688 0.748 1.00 0.00 C ATOM 0 H VAL A 95 -6.177 -12.120 -1.651 1.00 0.00 H new ATOM 0 HA VAL A 95 -4.419 -9.972 -1.770 1.00 0.00 H new ATOM 0 HB VAL A 95 -5.393 -10.448 0.294 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -5.121 -12.570 1.505 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -5.933 -12.794 -0.063 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -4.219 -13.235 0.122 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -3.488 -10.764 1.823 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -2.495 -11.331 0.459 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -3.095 -9.655 0.488 1.00 0.00 H new ATOM 1316 N SER A 96 -2.318 -10.857 -2.726 1.00 0.00 N ATOM 1317 CA SER A 96 -1.116 -11.345 -3.365 1.00 0.00 C ATOM 1318 C SER A 96 0.056 -11.309 -2.400 1.00 0.00 C ATOM 1319 O SER A 96 0.600 -10.248 -2.095 1.00 0.00 O ATOM 1320 CB SER A 96 -0.830 -10.516 -4.618 1.00 0.00 C ATOM 1321 OG SER A 96 -1.981 -10.468 -5.450 1.00 0.00 O ATOM 0 H SER A 96 -2.534 -9.881 -2.929 1.00 0.00 H new ATOM 0 HA SER A 96 -1.263 -12.384 -3.662 1.00 0.00 H new ATOM 0 HB2 SER A 96 -0.535 -9.506 -4.335 1.00 0.00 H new ATOM 0 HB3 SER A 96 0.006 -10.950 -5.167 1.00 0.00 H new ATOM 0 HG SER A 96 -1.786 -9.933 -6.248 1.00 0.00 H new ATOM 1327 N SER A 97 0.401 -12.477 -1.887 1.00 0.00 N ATOM 1328 CA SER A 97 1.521 -12.606 -0.970 1.00 0.00 C ATOM 1329 C SER A 97 2.840 -12.356 -1.699 1.00 0.00 C ATOM 1330 O SER A 97 3.226 -13.121 -2.583 1.00 0.00 O ATOM 1331 CB SER A 97 1.523 -13.999 -0.341 1.00 0.00 C ATOM 1332 OG SER A 97 0.230 -14.344 0.131 1.00 0.00 O ATOM 0 H SER A 97 -0.080 -13.353 -2.091 1.00 0.00 H new ATOM 0 HA SER A 97 1.415 -11.861 -0.182 1.00 0.00 H new ATOM 0 HB2 SER A 97 1.854 -14.733 -1.075 1.00 0.00 H new ATOM 0 HB3 SER A 97 2.235 -14.029 0.483 1.00 0.00 H new ATOM 0 HG SER A 97 0.255 -15.240 0.528 1.00 0.00 H new ATOM 1338 N ARG A 98 3.515 -11.275 -1.341 1.00 0.00 N ATOM 1339 CA ARG A 98 4.780 -10.920 -1.972 1.00 0.00 C ATOM 1340 C ARG A 98 5.865 -10.721 -0.923 1.00 0.00 C ATOM 1341 O ARG A 98 5.575 -10.479 0.249 1.00 0.00 O ATOM 1342 CB ARG A 98 4.630 -9.646 -2.806 1.00 0.00 C ATOM 1343 CG ARG A 98 3.703 -9.788 -4.006 1.00 0.00 C ATOM 1344 CD ARG A 98 3.565 -8.475 -4.762 1.00 0.00 C ATOM 1345 NE ARG A 98 4.855 -7.982 -5.253 1.00 0.00 N ATOM 1346 CZ ARG A 98 5.175 -6.689 -5.344 1.00 0.00 C ATOM 1347 NH1 ARG A 98 4.299 -5.757 -4.986 1.00 0.00 N ATOM 1348 NH2 ARG A 98 6.371 -6.331 -5.806 1.00 0.00 N ATOM 0 H ARG A 98 3.209 -10.626 -0.616 1.00 0.00 H new ATOM 0 HA ARG A 98 5.068 -11.740 -2.629 1.00 0.00 H new ATOM 0 HB2 ARG A 98 4.256 -8.848 -2.165 1.00 0.00 H new ATOM 0 HB3 ARG A 98 5.615 -9.337 -3.157 1.00 0.00 H new ATOM 0 HG2 ARG A 98 4.089 -10.556 -4.676 1.00 0.00 H new ATOM 0 HG3 ARG A 98 2.721 -10.121 -3.671 1.00 0.00 H new ATOM 0 HD2 ARG A 98 2.886 -8.612 -5.603 1.00 0.00 H new ATOM 0 HD3 ARG A 98 3.117 -7.727 -4.109 1.00 0.00 H new ATOM 0 HE ARG A 98 5.551 -8.669 -5.543 1.00 0.00 H new ATOM 0 HH11 ARG A 98 3.379 -6.028 -4.640 1.00 0.00 H new ATOM 0 HH12 ARG A 98 4.547 -4.770 -5.057 1.00 0.00 H new ATOM 0 HH21 ARG A 98 7.042 -7.044 -6.090 1.00 0.00 H new ATOM 0 HH22 ARG A 98 6.616 -5.343 -5.876 1.00 0.00 H new ATOM 1362 N THR A 99 7.113 -10.829 -1.348 1.00 0.00 N ATOM 1363 CA THR A 99 8.242 -10.645 -0.458 1.00 0.00 C ATOM 1364 C THR A 99 9.259 -9.709 -1.104 1.00 0.00 C ATOM 1365 O THR A 99 9.783 -10.000 -2.178 1.00 0.00 O ATOM 1366 CB THR A 99 8.907 -11.996 -0.129 1.00 0.00 C ATOM 1367 OG1 THR A 99 7.904 -12.946 0.268 1.00 0.00 O ATOM 1368 CG2 THR A 99 9.934 -11.840 0.985 1.00 0.00 C ATOM 0 H THR A 99 7.368 -11.045 -2.312 1.00 0.00 H new ATOM 0 HA THR A 99 7.882 -10.205 0.472 1.00 0.00 H new ATOM 0 HB THR A 99 9.419 -12.354 -1.022 1.00 0.00 H new ATOM 0 HG1 THR A 99 8.330 -13.804 0.475 1.00 0.00 H new ATOM 0 HG21 THR A 99 10.389 -12.807 1.199 1.00 0.00 H new ATOM 0 HG22 THR A 99 10.706 -11.137 0.672 1.00 0.00 H new ATOM 0 HG23 THR A 99 9.443 -11.464 1.883 1.00 0.00 H new ATOM 1376 N ILE A 100 9.511 -8.578 -0.463 1.00 0.00 N ATOM 1377 CA ILE A 100 10.404 -7.568 -1.017 1.00 0.00 C ATOM 1378 C ILE A 100 11.814 -7.710 -0.456 1.00 0.00 C ATOM 1379 O ILE A 100 12.020 -7.615 0.748 1.00 0.00 O ATOM 1380 CB ILE A 100 9.899 -6.136 -0.718 1.00 0.00 C ATOM 1381 CG1 ILE A 100 8.487 -5.923 -1.263 1.00 0.00 C ATOM 1382 CG2 ILE A 100 10.847 -5.100 -1.305 1.00 0.00 C ATOM 1383 CD1 ILE A 100 8.358 -6.199 -2.748 1.00 0.00 C ATOM 0 H ILE A 100 9.110 -8.335 0.443 1.00 0.00 H new ATOM 0 HA ILE A 100 10.420 -7.727 -2.095 1.00 0.00 H new ATOM 0 HB ILE A 100 9.870 -6.014 0.365 1.00 0.00 H new ATOM 0 HG12 ILE A 100 7.797 -6.570 -0.721 1.00 0.00 H new ATOM 0 HG13 ILE A 100 8.182 -4.895 -1.066 1.00 0.00 H new ATOM 0 HG21 ILE A 100 10.475 -4.100 -1.084 1.00 0.00 H new ATOM 0 HG22 ILE A 100 11.837 -5.223 -0.867 1.00 0.00 H new ATOM 0 HG23 ILE A 100 10.909 -5.234 -2.385 1.00 0.00 H new ATOM 0 HD11 ILE A 100 7.329 -6.027 -3.062 1.00 0.00 H new ATOM 0 HD12 ILE A 100 9.022 -5.534 -3.301 1.00 0.00 H new ATOM 0 HD13 ILE A 100 8.630 -7.235 -2.951 1.00 0.00 H new ATOM 1395 N SER A 101 12.779 -7.940 -1.326 1.00 0.00 N ATOM 1396 CA SER A 101 14.174 -7.935 -0.921 1.00 0.00 C ATOM 1397 C SER A 101 14.627 -6.494 -0.692 1.00 0.00 C ATOM 1398 O SER A 101 14.104 -5.573 -1.324 1.00 0.00 O ATOM 1399 CB SER A 101 15.038 -8.606 -1.991 1.00 0.00 C ATOM 1400 OG SER A 101 16.398 -8.645 -1.605 1.00 0.00 O ATOM 0 H SER A 101 12.624 -8.132 -2.316 1.00 0.00 H new ATOM 0 HA SER A 101 14.285 -8.496 0.007 1.00 0.00 H new ATOM 0 HB2 SER A 101 14.679 -9.620 -2.168 1.00 0.00 H new ATOM 0 HB3 SER A 101 14.940 -8.065 -2.932 1.00 0.00 H new ATOM 0 HG SER A 101 16.925 -9.081 -2.307 1.00 0.00 H new ATOM 1406 N ALA A 102 15.583 -6.299 0.215 1.00 0.00 N ATOM 1407 CA ALA A 102 16.094 -4.965 0.530 1.00 0.00 C ATOM 1408 C ALA A 102 16.533 -4.216 -0.728 1.00 0.00 C ATOM 1409 O ALA A 102 16.367 -2.997 -0.824 1.00 0.00 O ATOM 1410 CB ALA A 102 17.250 -5.059 1.514 1.00 0.00 C ATOM 0 H ALA A 102 16.021 -7.051 0.747 1.00 0.00 H new ATOM 0 HA ALA A 102 15.280 -4.401 0.986 1.00 0.00 H new ATOM 0 HB1 ALA A 102 17.619 -4.058 1.738 1.00 0.00 H new ATOM 0 HB2 ALA A 102 16.908 -5.534 2.433 1.00 0.00 H new ATOM 0 HB3 ALA A 102 18.053 -5.652 1.076 1.00 0.00 H new ATOM 1416 N SER A 103 17.073 -4.954 -1.693 1.00 0.00 N ATOM 1417 CA SER A 103 17.523 -4.373 -2.953 1.00 0.00 C ATOM 1418 C SER A 103 16.380 -3.636 -3.660 1.00 0.00 C ATOM 1419 O SER A 103 16.564 -2.532 -4.172 1.00 0.00 O ATOM 1420 CB SER A 103 18.088 -5.471 -3.856 1.00 0.00 C ATOM 1421 OG SER A 103 19.143 -6.170 -3.211 1.00 0.00 O ATOM 0 H SER A 103 17.210 -5.962 -1.625 1.00 0.00 H new ATOM 0 HA SER A 103 18.306 -3.646 -2.738 1.00 0.00 H new ATOM 0 HB2 SER A 103 17.295 -6.169 -4.124 1.00 0.00 H new ATOM 0 HB3 SER A 103 18.453 -5.031 -4.784 1.00 0.00 H new ATOM 0 HG SER A 103 19.486 -6.868 -3.808 1.00 0.00 H new ATOM 1427 N GLU A 104 15.198 -4.240 -3.667 1.00 0.00 N ATOM 1428 CA GLU A 104 14.034 -3.618 -4.281 1.00 0.00 C ATOM 1429 C GLU A 104 13.375 -2.645 -3.311 1.00 0.00 C ATOM 1430 O GLU A 104 12.816 -1.630 -3.717 1.00 0.00 O ATOM 1431 CB GLU A 104 13.020 -4.670 -4.740 1.00 0.00 C ATOM 1432 CG GLU A 104 13.376 -5.346 -6.056 1.00 0.00 C ATOM 1433 CD GLU A 104 14.616 -6.213 -5.972 1.00 0.00 C ATOM 1434 OE1 GLU A 104 14.506 -7.369 -5.513 1.00 0.00 O ATOM 1435 OE2 GLU A 104 15.701 -5.754 -6.390 1.00 0.00 O ATOM 0 H GLU A 104 15.022 -5.157 -3.256 1.00 0.00 H new ATOM 0 HA GLU A 104 14.375 -3.068 -5.158 1.00 0.00 H new ATOM 0 HB2 GLU A 104 12.928 -5.432 -3.966 1.00 0.00 H new ATOM 0 HB3 GLU A 104 12.043 -4.198 -4.840 1.00 0.00 H new ATOM 0 HG2 GLU A 104 12.535 -5.959 -6.380 1.00 0.00 H new ATOM 0 HG3 GLU A 104 13.527 -4.582 -6.819 1.00 0.00 H new ATOM 1442 N ALA A 105 13.457 -2.954 -2.021 1.00 0.00 N ATOM 1443 CA ALA A 105 12.906 -2.085 -0.984 1.00 0.00 C ATOM 1444 C ALA A 105 13.549 -0.706 -1.037 1.00 0.00 C ATOM 1445 O ALA A 105 12.970 0.279 -0.581 1.00 0.00 O ATOM 1446 CB ALA A 105 13.097 -2.707 0.392 1.00 0.00 C ATOM 0 H ALA A 105 13.901 -3.801 -1.667 1.00 0.00 H new ATOM 0 HA ALA A 105 11.838 -1.972 -1.168 1.00 0.00 H new ATOM 0 HB1 ALA A 105 12.680 -2.045 1.151 1.00 0.00 H new ATOM 0 HB2 ALA A 105 12.587 -3.670 0.430 1.00 0.00 H new ATOM 0 HB3 ALA A 105 14.161 -2.852 0.581 1.00 0.00 H new ATOM 1452 N GLY A 106 14.750 -0.652 -1.599 1.00 0.00 N ATOM 1453 CA GLY A 106 15.442 0.606 -1.776 1.00 0.00 C ATOM 1454 C GLY A 106 14.713 1.579 -2.690 1.00 0.00 C ATOM 1455 O GLY A 106 14.824 2.791 -2.509 1.00 0.00 O ATOM 0 H GLY A 106 15.260 -1.468 -1.938 1.00 0.00 H new ATOM 0 HA2 GLY A 106 15.584 1.073 -0.801 1.00 0.00 H new ATOM 0 HA3 GLY A 106 16.434 0.411 -2.184 1.00 0.00 H new ATOM 1459 N ASN A 107 13.963 1.072 -3.667 1.00 0.00 N ATOM 1460 CA ASN A 107 13.287 1.953 -4.624 1.00 0.00 C ATOM 1461 C ASN A 107 11.803 2.106 -4.302 1.00 0.00 C ATOM 1462 O ASN A 107 11.104 2.898 -4.937 1.00 0.00 O ATOM 1463 CB ASN A 107 13.440 1.449 -6.070 1.00 0.00 C ATOM 1464 CG ASN A 107 12.627 0.197 -6.371 1.00 0.00 C ATOM 1465 OD1 ASN A 107 13.143 -0.918 -6.325 1.00 0.00 O ATOM 1466 ND2 ASN A 107 11.349 0.372 -6.686 1.00 0.00 N ATOM 0 H ASN A 107 13.808 0.075 -3.818 1.00 0.00 H new ATOM 0 HA ASN A 107 13.771 2.926 -4.535 1.00 0.00 H new ATOM 0 HB2 ASN A 107 13.138 2.241 -6.755 1.00 0.00 H new ATOM 0 HB3 ASN A 107 14.493 1.243 -6.264 1.00 0.00 H new ATOM 0 HD21 ASN A 107 10.761 -0.434 -6.900 1.00 0.00 H new ATOM 0 HD22 ASN A 107 10.955 1.312 -6.714 1.00 0.00 H new ATOM 1473 N TYR A 108 11.321 1.348 -3.333 1.00 0.00 N ATOM 1474 CA TYR A 108 9.907 1.376 -2.987 1.00 0.00 C ATOM 1475 C TYR A 108 9.589 2.506 -2.016 1.00 0.00 C ATOM 1476 O TYR A 108 10.102 2.544 -0.898 1.00 0.00 O ATOM 1477 CB TYR A 108 9.468 0.046 -2.385 1.00 0.00 C ATOM 1478 CG TYR A 108 9.150 -1.035 -3.401 1.00 0.00 C ATOM 1479 CD1 TYR A 108 8.093 -0.887 -4.287 1.00 0.00 C ATOM 1480 CD2 TYR A 108 9.877 -2.218 -3.448 1.00 0.00 C ATOM 1481 CE1 TYR A 108 7.767 -1.881 -5.187 1.00 0.00 C ATOM 1482 CE2 TYR A 108 9.564 -3.214 -4.354 1.00 0.00 C ATOM 1483 CZ TYR A 108 8.506 -3.041 -5.220 1.00 0.00 C ATOM 1484 OH TYR A 108 8.172 -4.038 -6.108 1.00 0.00 O ATOM 0 H TYR A 108 11.883 0.707 -2.773 1.00 0.00 H new ATOM 0 HA TYR A 108 9.355 1.550 -3.911 1.00 0.00 H new ATOM 0 HB2 TYR A 108 10.256 -0.316 -1.724 1.00 0.00 H new ATOM 0 HB3 TYR A 108 8.586 0.216 -1.767 1.00 0.00 H new ATOM 0 HD1 TYR A 108 7.514 0.024 -4.272 1.00 0.00 H new ATOM 0 HD2 TYR A 108 10.701 -2.362 -2.765 1.00 0.00 H new ATOM 0 HE1 TYR A 108 6.935 -1.749 -5.863 1.00 0.00 H new ATOM 0 HE2 TYR A 108 10.146 -4.123 -4.383 1.00 0.00 H new ATOM 0 HH TYR A 108 8.793 -4.789 -6.005 1.00 0.00 H new ATOM 1494 N ASN A 109 8.723 3.410 -2.454 1.00 0.00 N ATOM 1495 CA ASN A 109 8.308 4.552 -1.638 1.00 0.00 C ATOM 1496 C ASN A 109 7.279 4.107 -0.612 1.00 0.00 C ATOM 1497 O ASN A 109 6.747 3.004 -0.690 1.00 0.00 O ATOM 1498 CB ASN A 109 7.710 5.682 -2.503 1.00 0.00 C ATOM 1499 CG ASN A 109 8.718 6.344 -3.426 1.00 0.00 C ATOM 1500 OD1 ASN A 109 9.685 5.728 -3.872 1.00 0.00 O ATOM 1501 ND2 ASN A 109 8.487 7.615 -3.725 1.00 0.00 N ATOM 0 H ASN A 109 8.289 3.377 -3.377 1.00 0.00 H new ATOM 0 HA ASN A 109 9.194 4.939 -1.135 1.00 0.00 H new ATOM 0 HB2 ASN A 109 6.895 5.276 -3.102 1.00 0.00 H new ATOM 0 HB3 ASN A 109 7.279 6.439 -1.848 1.00 0.00 H new ATOM 0 HD21 ASN A 109 9.123 8.117 -4.345 1.00 0.00 H new ATOM 0 HD22 ASN A 109 7.674 8.091 -3.335 1.00 0.00 H new ATOM 1508 N TYR A 110 7.013 4.963 0.357 1.00 0.00 N ATOM 1509 CA TYR A 110 5.977 4.702 1.342 1.00 0.00 C ATOM 1510 C TYR A 110 5.462 6.028 1.879 1.00 0.00 C ATOM 1511 O TYR A 110 6.197 7.017 1.887 1.00 0.00 O ATOM 1512 CB TYR A 110 6.502 3.807 2.474 1.00 0.00 C ATOM 1513 CG TYR A 110 7.459 4.471 3.441 1.00 0.00 C ATOM 1514 CD1 TYR A 110 8.396 5.402 3.015 1.00 0.00 C ATOM 1515 CD2 TYR A 110 7.410 4.164 4.791 1.00 0.00 C ATOM 1516 CE1 TYR A 110 9.254 6.005 3.906 1.00 0.00 C ATOM 1517 CE2 TYR A 110 8.267 4.765 5.688 1.00 0.00 C ATOM 1518 CZ TYR A 110 9.186 5.685 5.238 1.00 0.00 C ATOM 1519 OH TYR A 110 10.039 6.293 6.124 1.00 0.00 O ATOM 0 H TYR A 110 7.502 5.849 0.484 1.00 0.00 H new ATOM 0 HA TYR A 110 5.156 4.164 0.869 1.00 0.00 H new ATOM 0 HB2 TYR A 110 5.650 3.427 3.037 1.00 0.00 H new ATOM 0 HB3 TYR A 110 7.001 2.946 2.030 1.00 0.00 H new ATOM 0 HD1 TYR A 110 8.453 5.657 1.967 1.00 0.00 H new ATOM 0 HD2 TYR A 110 6.689 3.443 5.146 1.00 0.00 H new ATOM 0 HE1 TYR A 110 9.978 6.727 3.558 1.00 0.00 H new ATOM 0 HE2 TYR A 110 8.217 4.515 6.738 1.00 0.00 H new ATOM 0 HH TYR A 110 9.567 7.014 6.591 1.00 0.00 H new ATOM 1529 N ILE A 111 4.213 6.075 2.311 1.00 0.00 N ATOM 1530 CA ILE A 111 3.646 7.326 2.745 1.00 0.00 C ATOM 1531 C ILE A 111 3.186 7.229 4.191 1.00 0.00 C ATOM 1532 O ILE A 111 2.356 6.397 4.548 1.00 0.00 O ATOM 1533 CB ILE A 111 2.491 7.778 1.822 1.00 0.00 C ATOM 1534 CG1 ILE A 111 1.287 6.845 1.937 1.00 0.00 C ATOM 1535 CG2 ILE A 111 2.981 7.816 0.376 1.00 0.00 C ATOM 1536 CD1 ILE A 111 0.067 7.326 1.178 1.00 0.00 C ATOM 0 H ILE A 111 3.587 5.272 2.368 1.00 0.00 H new ATOM 0 HA ILE A 111 4.425 8.086 2.682 1.00 0.00 H new ATOM 0 HB ILE A 111 2.174 8.773 2.133 1.00 0.00 H new ATOM 0 HG12 ILE A 111 1.567 5.858 1.568 1.00 0.00 H new ATOM 0 HG13 ILE A 111 1.027 6.730 2.989 1.00 0.00 H new ATOM 0 HG21 ILE A 111 2.167 8.135 -0.276 1.00 0.00 H new ATOM 0 HG22 ILE A 111 3.810 8.518 0.291 1.00 0.00 H new ATOM 0 HG23 ILE A 111 3.316 6.822 0.079 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -0.747 6.612 1.307 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -0.240 8.299 1.562 1.00 0.00 H new ATOM 0 HD13 ILE A 111 0.309 7.413 0.119 1.00 0.00 H new ATOM 1548 N HIS A 112 3.773 8.050 5.035 1.00 0.00 N ATOM 1549 CA HIS A 112 3.402 8.075 6.434 1.00 0.00 C ATOM 1550 C HIS A 112 3.313 9.510 6.903 1.00 0.00 C ATOM 1551 O HIS A 112 3.998 10.375 6.368 1.00 0.00 O ATOM 1552 CB HIS A 112 4.412 7.290 7.290 1.00 0.00 C ATOM 1553 CG HIS A 112 5.771 7.929 7.409 1.00 0.00 C ATOM 1554 ND1 HIS A 112 6.072 8.876 8.369 1.00 0.00 N ATOM 1555 CD2 HIS A 112 6.919 7.737 6.702 1.00 0.00 C ATOM 1556 CE1 HIS A 112 7.335 9.233 8.253 1.00 0.00 C ATOM 1557 NE2 HIS A 112 7.875 8.560 7.251 1.00 0.00 N ATOM 0 H HIS A 112 4.508 8.708 4.778 1.00 0.00 H new ATOM 0 HA HIS A 112 2.430 7.595 6.548 1.00 0.00 H new ATOM 0 HB2 HIS A 112 3.997 7.162 8.290 1.00 0.00 H new ATOM 0 HB3 HIS A 112 4.531 6.294 6.864 1.00 0.00 H new ATOM 0 HD1 HIS A 112 5.418 9.242 9.061 1.00 0.00 H new ATOM 0 HD2 HIS A 112 7.054 7.065 5.867 1.00 0.00 H new ATOM 0 HE1 HIS A 112 7.845 9.955 8.873 1.00 0.00 H new ATOM 1566 N ILE A 113 2.462 9.765 7.876 1.00 0.00 N ATOM 1567 CA ILE A 113 2.364 11.075 8.464 1.00 0.00 C ATOM 1568 C ILE A 113 3.697 11.455 9.103 1.00 0.00 C ATOM 1569 O ILE A 113 4.234 10.642 9.888 1.00 0.00 O ATOM 1570 CB ILE A 113 1.219 11.160 9.502 1.00 0.00 C ATOM 1571 CG1 ILE A 113 1.290 10.032 10.549 1.00 0.00 C ATOM 1572 CG2 ILE A 113 -0.132 11.158 8.802 1.00 0.00 C ATOM 1573 CD1 ILE A 113 0.779 8.683 10.075 1.00 0.00 C ATOM 1574 OXT ILE A 113 4.218 12.543 8.785 1.00 0.00 O ATOM 0 H ILE A 113 1.827 9.074 8.275 1.00 0.00 H new ATOM 0 HA ILE A 113 2.129 11.783 7.669 1.00 0.00 H new ATOM 0 HB ILE A 113 1.341 12.100 10.040 1.00 0.00 H new ATOM 0 HG12 ILE A 113 2.326 9.919 10.870 1.00 0.00 H new ATOM 0 HG13 ILE A 113 0.716 10.334 11.425 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -0.927 11.218 9.545 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -0.196 12.015 8.132 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -0.242 10.239 8.226 1.00 0.00 H new ATOM 0 HD11 ILE A 113 0.870 7.956 10.882 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -0.267 8.772 9.783 1.00 0.00 H new ATOM 0 HD13 ILE A 113 1.367 8.351 9.219 1.00 0.00 H new TER 1586 ILE A 113