USER MOD reduce.3.24.130724 H: found=0, std=0, add=819, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 811 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 104 HIS : no HD1:sc= -4.28! C(o=-6.9!,f=-7.1!) USER MOD Set 1.2: A 105 HIS : no HE2:sc= -2.63! C(o=-6.9!,f=-8.7!) USER MOD Set 2.1: A 43 HIS : no HE2:sc= -0.951 K(o=-0.48,f=-6.8!) USER MOD Set 2.2: A 47 LYS NZ :NH3+ 145:sc= 0.476 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -111:sc= 0.718 (180deg=-0.115!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 ASN : amide:sc= -0.936 K(o=-0.94,f=-4!) USER MOD Single : A 4 GLN : amide:sc=-0.00868 K(o=-0.0087,f=-0.94) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 CYS SG : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -0.093 K(o=-0.093,f=-1.6!) USER MOD Single : A 12 CYS SG : rot 180:sc= 0 USER MOD Single : A 15 CYS SG : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0.223 USER MOD Single : A 41 LYS NZ :NH3+ -177:sc= 1.2 (180deg=1.19) USER MOD Single : A 51 TYR OH : rot 180:sc= -0.713 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -119:sc= -1.62 (180deg=-3.07!) USER MOD Single : A 57 GLN :FLIP amide:sc= 0 F(o=-1.3,f=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -0.888 K(o=-0.89,f=-2.7!) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -1.44! C(o=-1.4!,f=-7.2!) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 159:sc= -0.332 (180deg=-0.96) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot -102:sc= 0.207 USER MOD Single : A 103 HIS : no HD1:sc= -0.0982 K(o=-0.098,f=-1.2) USER MOD Single : A 106 HIS : no HD1:sc= 0 X(o=0,f=-0.0095) USER MOD Single : A 107 HIS : no HE2:sc= 0.166 K(o=0.17,f=-2.8!) USER MOD Single : A 108 HIS : no HD1:sc= -0.401 X(o=-0.4,f=-0.14) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -28.104 -1.313 -1.313 1.00 0.00 N ATOM 2 CA MET A 1 -27.456 -0.789 -2.550 1.00 0.00 C ATOM 3 C MET A 1 -28.274 0.386 -3.087 1.00 0.00 C ATOM 4 O MET A 1 -29.093 0.244 -3.977 1.00 0.00 O ATOM 5 CB MET A 1 -27.380 -1.906 -3.593 1.00 0.00 C ATOM 6 CG MET A 1 -26.554 -3.071 -3.034 1.00 0.00 C ATOM 7 SD MET A 1 -27.580 -4.060 -1.918 1.00 0.00 S ATOM 8 CE MET A 1 -28.316 -5.137 -3.174 1.00 0.00 C ATOM 0 H1 MET A 1 -27.505 -1.100 -0.490 1.00 0.00 H new ATOM 0 H2 MET A 1 -29.033 -0.862 -1.190 1.00 0.00 H new ATOM 0 H3 MET A 1 -28.227 -2.343 -1.395 1.00 0.00 H new ATOM 0 HA MET A 1 -26.446 -0.445 -2.327 1.00 0.00 H new ATOM 0 HB2 MET A 1 -28.383 -2.247 -3.850 1.00 0.00 H new ATOM 0 HB3 MET A 1 -26.926 -1.531 -4.510 1.00 0.00 H new ATOM 0 HG2 MET A 1 -26.183 -3.692 -3.850 1.00 0.00 H new ATOM 0 HG3 MET A 1 -25.682 -2.690 -2.502 1.00 0.00 H new ATOM 0 HE1 MET A 1 -28.997 -5.841 -2.696 1.00 0.00 H new ATOM 0 HE2 MET A 1 -28.866 -4.532 -3.895 1.00 0.00 H new ATOM 0 HE3 MET A 1 -27.528 -5.687 -3.688 1.00 0.00 H new ATOM 20 N SER A 2 -28.059 1.549 -2.534 1.00 0.00 N ATOM 21 CA SER A 2 -28.817 2.755 -2.974 1.00 0.00 C ATOM 22 C SER A 2 -28.415 3.150 -4.396 1.00 0.00 C ATOM 23 O SER A 2 -27.275 3.009 -4.801 1.00 0.00 O ATOM 24 CB SER A 2 -28.521 3.911 -2.019 1.00 0.00 C ATOM 25 OG SER A 2 -29.205 5.076 -2.465 1.00 0.00 O ATOM 0 H SER A 2 -27.383 1.716 -1.788 1.00 0.00 H new ATOM 0 HA SER A 2 -29.883 2.528 -2.963 1.00 0.00 H new ATOM 0 HB2 SER A 2 -28.838 3.653 -1.009 1.00 0.00 H new ATOM 0 HB3 SER A 2 -27.448 4.098 -1.978 1.00 0.00 H new ATOM 0 HG SER A 2 -29.019 5.819 -1.854 1.00 0.00 H new ATOM 31 N ASN A 3 -29.358 3.645 -5.154 1.00 0.00 N ATOM 32 CA ASN A 3 -29.071 4.056 -6.557 1.00 0.00 C ATOM 33 C ASN A 3 -28.708 5.541 -6.614 1.00 0.00 C ATOM 34 O ASN A 3 -28.865 6.277 -5.657 1.00 0.00 O ATOM 35 CB ASN A 3 -30.311 3.803 -7.422 1.00 0.00 C ATOM 36 CG ASN A 3 -31.477 4.672 -6.937 1.00 0.00 C ATOM 37 OD1 ASN A 3 -31.337 5.439 -6.004 1.00 0.00 O ATOM 38 ND2 ASN A 3 -32.634 4.583 -7.541 1.00 0.00 N ATOM 0 H ASN A 3 -30.324 3.783 -4.856 1.00 0.00 H new ATOM 0 HA ASN A 3 -28.230 3.473 -6.931 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -30.089 4.028 -8.465 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -30.588 2.750 -7.375 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -33.418 5.157 -7.229 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -32.753 3.940 -8.324 1.00 0.00 H new ATOM 45 N GLN A 4 -28.223 5.973 -7.744 1.00 0.00 N ATOM 46 CA GLN A 4 -27.835 7.401 -7.918 1.00 0.00 C ATOM 47 C GLN A 4 -27.028 7.893 -6.717 1.00 0.00 C ATOM 48 O GLN A 4 -26.594 7.127 -5.876 1.00 0.00 O ATOM 49 CB GLN A 4 -29.090 8.272 -8.066 1.00 0.00 C ATOM 50 CG GLN A 4 -29.787 7.948 -9.390 1.00 0.00 C ATOM 51 CD GLN A 4 -31.086 8.750 -9.500 1.00 0.00 C ATOM 52 OE1 GLN A 4 -31.749 8.995 -8.511 1.00 0.00 O ATOM 53 NE2 GLN A 4 -31.482 9.172 -10.672 1.00 0.00 N ATOM 0 H GLN A 4 -28.077 5.388 -8.567 1.00 0.00 H new ATOM 0 HA GLN A 4 -27.222 7.478 -8.816 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -29.769 8.093 -7.233 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -28.818 9.327 -8.035 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -29.129 8.186 -10.226 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -30.001 6.881 -9.447 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -30.926 8.967 -11.502 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -32.347 9.706 -10.756 1.00 0.00 H new ATOM 62 N THR A 5 -26.835 9.179 -6.644 1.00 0.00 N ATOM 63 CA THR A 5 -26.068 9.782 -5.519 1.00 0.00 C ATOM 64 C THR A 5 -24.621 9.277 -5.509 1.00 0.00 C ATOM 65 O THR A 5 -23.927 9.309 -6.508 1.00 0.00 O ATOM 66 CB THR A 5 -26.739 9.425 -4.185 1.00 0.00 C ATOM 67 OG1 THR A 5 -28.147 9.524 -4.328 1.00 0.00 O ATOM 68 CG2 THR A 5 -26.264 10.397 -3.093 1.00 0.00 C ATOM 0 H THR A 5 -27.183 9.850 -7.329 1.00 0.00 H new ATOM 0 HA THR A 5 -26.059 10.864 -5.653 1.00 0.00 H new ATOM 0 HB THR A 5 -26.471 8.407 -3.903 1.00 0.00 H new ATOM 0 HG1 THR A 5 -28.579 9.295 -3.479 1.00 0.00 H new ATOM 0 HG21 THR A 5 -26.741 10.142 -2.147 1.00 0.00 H new ATOM 0 HG22 THR A 5 -25.182 10.323 -2.985 1.00 0.00 H new ATOM 0 HG23 THR A 5 -26.532 11.416 -3.372 1.00 0.00 H new ATOM 76 N CYS A 6 -24.165 8.822 -4.372 1.00 0.00 N ATOM 77 CA CYS A 6 -22.772 8.321 -4.259 1.00 0.00 C ATOM 78 C CYS A 6 -22.576 7.143 -5.213 1.00 0.00 C ATOM 79 O CYS A 6 -21.484 6.879 -5.677 1.00 0.00 O ATOM 80 CB CYS A 6 -22.518 7.875 -2.809 1.00 0.00 C ATOM 81 SG CYS A 6 -20.791 8.194 -2.367 1.00 0.00 S ATOM 0 H CYS A 6 -24.708 8.777 -3.510 1.00 0.00 H new ATOM 0 HA CYS A 6 -22.068 9.110 -4.524 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -23.182 8.412 -2.131 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -22.741 6.814 -2.700 1.00 0.00 H new ATOM 0 HG CYS A 6 -20.580 7.818 -1.141 1.00 0.00 H new ATOM 87 N VAL A 7 -23.631 6.425 -5.500 1.00 0.00 N ATOM 88 CA VAL A 7 -23.521 5.248 -6.413 1.00 0.00 C ATOM 89 C VAL A 7 -23.992 5.630 -7.820 1.00 0.00 C ATOM 90 O VAL A 7 -25.053 6.194 -8.004 1.00 0.00 O ATOM 91 CB VAL A 7 -24.392 4.105 -5.879 1.00 0.00 C ATOM 92 CG1 VAL A 7 -24.467 2.982 -6.921 1.00 0.00 C ATOM 93 CG2 VAL A 7 -23.781 3.558 -4.586 1.00 0.00 C ATOM 0 H VAL A 7 -24.568 6.604 -5.140 1.00 0.00 H new ATOM 0 HA VAL A 7 -22.480 4.928 -6.458 1.00 0.00 H new ATOM 0 HB VAL A 7 -25.395 4.481 -5.679 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -25.087 2.171 -6.538 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -24.903 3.369 -7.842 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -23.464 2.607 -7.124 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -24.400 2.745 -4.206 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -22.777 3.185 -4.787 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -23.730 4.353 -3.843 1.00 0.00 H new ATOM 103 N GLU A 8 -23.204 5.310 -8.810 1.00 0.00 N ATOM 104 CA GLU A 8 -23.579 5.627 -10.217 1.00 0.00 C ATOM 105 C GLU A 8 -22.554 4.991 -11.167 1.00 0.00 C ATOM 106 O GLU A 8 -22.904 4.391 -12.164 1.00 0.00 O ATOM 107 CB GLU A 8 -23.596 7.146 -10.425 1.00 0.00 C ATOM 108 CG GLU A 8 -24.065 7.455 -11.850 1.00 0.00 C ATOM 109 CD GLU A 8 -24.130 8.969 -12.055 1.00 0.00 C ATOM 110 OE1 GLU A 8 -23.617 9.686 -11.211 1.00 0.00 O ATOM 111 OE2 GLU A 8 -24.692 9.387 -13.053 1.00 0.00 O ATOM 0 H GLU A 8 -22.307 4.837 -8.702 1.00 0.00 H new ATOM 0 HA GLU A 8 -24.572 5.229 -10.425 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -24.261 7.617 -9.701 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -22.601 7.559 -10.260 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -23.381 7.010 -12.573 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -25.046 7.012 -12.024 1.00 0.00 H new ATOM 118 N ASN A 9 -21.286 5.115 -10.860 1.00 0.00 N ATOM 119 CA ASN A 9 -20.233 4.515 -11.738 1.00 0.00 C ATOM 120 C ASN A 9 -20.117 3.017 -11.444 1.00 0.00 C ATOM 121 O ASN A 9 -19.453 2.279 -12.148 1.00 0.00 O ATOM 122 CB ASN A 9 -18.886 5.191 -11.447 1.00 0.00 C ATOM 123 CG ASN A 9 -17.848 4.762 -12.490 1.00 0.00 C ATOM 124 OD1 ASN A 9 -18.192 4.450 -13.614 1.00 0.00 O ATOM 125 ND2 ASN A 9 -16.583 4.732 -12.163 1.00 0.00 N ATOM 0 H ASN A 9 -20.934 5.606 -10.038 1.00 0.00 H new ATOM 0 HA ASN A 9 -20.503 4.663 -12.784 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -19.003 6.275 -11.462 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -18.543 4.922 -10.448 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -15.885 4.447 -12.850 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -16.294 4.994 -11.221 1.00 0.00 H new ATOM 132 N GLU A 10 -20.756 2.565 -10.400 1.00 0.00 N ATOM 133 CA GLU A 10 -20.685 1.118 -10.036 1.00 0.00 C ATOM 134 C GLU A 10 -21.766 0.337 -10.779 1.00 0.00 C ATOM 135 O GLU A 10 -22.810 0.861 -11.121 1.00 0.00 O ATOM 136 CB GLU A 10 -20.882 0.961 -8.527 1.00 0.00 C ATOM 137 CG GLU A 10 -19.700 1.598 -7.779 1.00 0.00 C ATOM 138 CD GLU A 10 -19.907 3.113 -7.670 1.00 0.00 C ATOM 139 OE1 GLU A 10 -20.868 3.603 -8.237 1.00 0.00 O ATOM 140 OE2 GLU A 10 -19.099 3.755 -7.019 1.00 0.00 O ATOM 0 H GLU A 10 -21.328 3.138 -9.779 1.00 0.00 H new ATOM 0 HA GLU A 10 -19.708 0.726 -10.319 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -21.815 1.434 -8.222 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -20.961 -0.095 -8.269 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -19.610 1.162 -6.784 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -18.769 1.386 -8.305 1.00 0.00 H new ATOM 147 N VAL A 11 -21.506 -0.920 -11.042 1.00 0.00 N ATOM 148 CA VAL A 11 -22.485 -1.772 -11.782 1.00 0.00 C ATOM 149 C VAL A 11 -23.074 -2.834 -10.846 1.00 0.00 C ATOM 150 O VAL A 11 -22.370 -3.533 -10.140 1.00 0.00 O ATOM 151 CB VAL A 11 -21.762 -2.426 -12.966 1.00 0.00 C ATOM 152 CG1 VAL A 11 -22.626 -3.532 -13.580 1.00 0.00 C ATOM 153 CG2 VAL A 11 -21.490 -1.352 -14.025 1.00 0.00 C ATOM 0 H VAL A 11 -20.646 -1.397 -10.771 1.00 0.00 H new ATOM 0 HA VAL A 11 -23.309 -1.163 -12.153 1.00 0.00 H new ATOM 0 HB VAL A 11 -20.828 -2.867 -12.618 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -22.096 -3.984 -14.419 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -22.831 -4.293 -12.827 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -23.566 -3.107 -13.932 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -20.976 -1.801 -14.875 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -22.435 -0.922 -14.358 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -20.866 -0.568 -13.596 1.00 0.00 H new ATOM 163 N CYS A 12 -24.377 -2.940 -10.849 1.00 0.00 N ATOM 164 CA CYS A 12 -25.078 -3.927 -9.981 1.00 0.00 C ATOM 165 C CYS A 12 -24.891 -5.346 -10.530 1.00 0.00 C ATOM 166 O CYS A 12 -24.139 -6.136 -9.990 1.00 0.00 O ATOM 167 CB CYS A 12 -26.575 -3.585 -9.956 1.00 0.00 C ATOM 168 SG CYS A 12 -27.358 -4.373 -8.526 1.00 0.00 S ATOM 0 H CYS A 12 -24.995 -2.372 -11.429 1.00 0.00 H new ATOM 0 HA CYS A 12 -24.662 -3.883 -8.974 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -26.710 -2.505 -9.907 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -27.051 -3.924 -10.876 1.00 0.00 H new ATOM 0 HG CYS A 12 -28.624 -4.079 -8.508 1.00 0.00 H new ATOM 174 N GLU A 13 -25.586 -5.669 -11.599 1.00 0.00 N ATOM 175 CA GLU A 13 -25.485 -7.034 -12.204 1.00 0.00 C ATOM 176 C GLU A 13 -25.384 -8.090 -11.096 1.00 0.00 C ATOM 177 O GLU A 13 -24.348 -8.689 -10.879 1.00 0.00 O ATOM 178 CB GLU A 13 -24.267 -7.102 -13.127 1.00 0.00 C ATOM 179 CG GLU A 13 -24.534 -6.241 -14.366 1.00 0.00 C ATOM 180 CD GLU A 13 -23.288 -6.210 -15.255 1.00 0.00 C ATOM 181 OE1 GLU A 13 -22.324 -6.872 -14.913 1.00 0.00 O ATOM 182 OE2 GLU A 13 -23.322 -5.525 -16.265 1.00 0.00 O ATOM 0 H GLU A 13 -26.225 -5.036 -12.081 1.00 0.00 H new ATOM 0 HA GLU A 13 -26.380 -7.236 -12.793 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -23.378 -6.746 -12.605 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -24.073 -8.134 -13.420 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -25.380 -6.643 -14.924 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -24.803 -5.228 -14.065 1.00 0.00 H new ATOM 189 N ALA A 14 -26.462 -8.306 -10.390 1.00 0.00 N ATOM 190 CA ALA A 14 -26.453 -9.301 -9.283 1.00 0.00 C ATOM 191 C ALA A 14 -26.178 -10.697 -9.837 1.00 0.00 C ATOM 192 O ALA A 14 -26.657 -11.073 -10.891 1.00 0.00 O ATOM 193 CB ALA A 14 -27.807 -9.286 -8.572 1.00 0.00 C ATOM 0 H ALA A 14 -27.353 -7.832 -10.535 1.00 0.00 H new ATOM 0 HA ALA A 14 -25.667 -9.040 -8.574 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -27.800 -10.015 -7.761 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -27.993 -8.292 -8.165 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -28.594 -9.541 -9.282 1.00 0.00 H new ATOM 199 N CYS A 15 -25.397 -11.467 -9.126 1.00 0.00 N ATOM 200 CA CYS A 15 -25.059 -12.845 -9.585 1.00 0.00 C ATOM 201 C CYS A 15 -25.926 -13.869 -8.854 1.00 0.00 C ATOM 202 O CYS A 15 -26.295 -13.695 -7.707 1.00 0.00 O ATOM 203 CB CYS A 15 -23.585 -13.124 -9.289 1.00 0.00 C ATOM 204 SG CYS A 15 -22.554 -12.114 -10.381 1.00 0.00 S ATOM 0 H CYS A 15 -24.975 -11.196 -8.238 1.00 0.00 H new ATOM 0 HA CYS A 15 -25.245 -12.923 -10.656 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -23.362 -12.897 -8.247 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -23.366 -14.181 -9.438 1.00 0.00 H new ATOM 0 HG CYS A 15 -21.300 -12.347 -10.131 1.00 0.00 H new ATOM 210 N GLY A 16 -26.251 -14.938 -9.526 1.00 0.00 N ATOM 211 CA GLY A 16 -27.096 -16.001 -8.914 1.00 0.00 C ATOM 212 C GLY A 16 -26.214 -17.026 -8.197 1.00 0.00 C ATOM 213 O GLY A 16 -26.161 -17.082 -6.981 1.00 0.00 O ATOM 0 H GLY A 16 -25.963 -15.123 -10.487 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -27.798 -15.557 -8.208 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -27.688 -16.495 -9.685 1.00 0.00 H new ATOM 217 N CYS A 17 -25.524 -17.841 -8.948 1.00 0.00 N ATOM 218 CA CYS A 17 -24.640 -18.875 -8.332 1.00 0.00 C ATOM 219 C CYS A 17 -23.508 -18.186 -7.563 1.00 0.00 C ATOM 220 O CYS A 17 -23.069 -18.650 -6.526 1.00 0.00 O ATOM 221 CB CYS A 17 -24.048 -19.754 -9.438 1.00 0.00 C ATOM 222 SG CYS A 17 -25.374 -20.696 -10.233 1.00 0.00 S ATOM 0 H CYS A 17 -25.534 -17.836 -9.968 1.00 0.00 H new ATOM 0 HA CYS A 17 -25.219 -19.492 -7.645 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -23.535 -19.135 -10.174 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -23.305 -20.433 -9.019 1.00 0.00 H new ATOM 0 HG CYS A 17 -24.873 -21.441 -11.174 1.00 0.00 H new ATOM 228 N ALA A 18 -23.031 -17.083 -8.075 1.00 0.00 N ATOM 229 CA ALA A 18 -21.925 -16.346 -7.396 1.00 0.00 C ATOM 230 C ALA A 18 -20.809 -17.324 -7.015 1.00 0.00 C ATOM 231 O ALA A 18 -19.903 -16.997 -6.269 1.00 0.00 O ATOM 232 CB ALA A 18 -22.462 -15.659 -6.139 1.00 0.00 C ATOM 0 H ALA A 18 -23.362 -16.658 -8.941 1.00 0.00 H new ATOM 0 HA ALA A 18 -21.524 -15.593 -8.074 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -21.653 -15.121 -5.644 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -23.248 -14.957 -6.416 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -22.868 -16.409 -5.460 1.00 0.00 H new ATOM 238 N GLY A 19 -20.866 -18.520 -7.531 1.00 0.00 N ATOM 239 CA GLY A 19 -19.813 -19.531 -7.220 1.00 0.00 C ATOM 240 C GLY A 19 -18.634 -19.341 -8.178 1.00 0.00 C ATOM 241 O GLY A 19 -17.671 -20.084 -8.153 1.00 0.00 O ATOM 0 H GLY A 19 -21.601 -18.844 -8.159 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -19.480 -19.421 -6.188 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -20.218 -20.538 -7.318 1.00 0.00 H new ATOM 245 N GLU A 20 -18.714 -18.349 -9.026 1.00 0.00 N ATOM 246 CA GLU A 20 -17.613 -18.092 -10.003 1.00 0.00 C ATOM 247 C GLU A 20 -16.253 -18.217 -9.306 1.00 0.00 C ATOM 248 O GLU A 20 -15.757 -17.284 -8.701 1.00 0.00 O ATOM 249 CB GLU A 20 -17.785 -16.688 -10.602 1.00 0.00 C ATOM 250 CG GLU A 20 -18.235 -15.707 -9.512 1.00 0.00 C ATOM 251 CD GLU A 20 -18.312 -14.288 -10.086 1.00 0.00 C ATOM 252 OE1 GLU A 20 -17.879 -14.097 -11.210 1.00 0.00 O ATOM 253 OE2 GLU A 20 -18.813 -13.416 -9.392 1.00 0.00 O ATOM 0 H GLU A 20 -19.500 -17.701 -9.084 1.00 0.00 H new ATOM 0 HA GLU A 20 -17.656 -18.829 -10.805 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -16.845 -16.352 -11.040 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -18.520 -16.714 -11.406 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -19.209 -16.004 -9.123 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -17.536 -15.733 -8.676 1.00 0.00 H new ATOM 260 N ILE A 21 -15.650 -19.379 -9.390 1.00 0.00 N ATOM 261 CA ILE A 21 -14.328 -19.601 -8.738 1.00 0.00 C ATOM 262 C ILE A 21 -13.198 -19.244 -9.704 1.00 0.00 C ATOM 263 O ILE A 21 -13.161 -19.687 -10.836 1.00 0.00 O ATOM 264 CB ILE A 21 -14.207 -21.073 -8.323 1.00 0.00 C ATOM 265 CG1 ILE A 21 -12.889 -21.282 -7.575 1.00 0.00 C ATOM 266 CG2 ILE A 21 -14.235 -21.974 -9.563 1.00 0.00 C ATOM 267 CD1 ILE A 21 -12.898 -22.648 -6.882 1.00 0.00 C ATOM 0 H ILE A 21 -16.023 -20.187 -9.887 1.00 0.00 H new ATOM 0 HA ILE A 21 -14.252 -18.964 -7.857 1.00 0.00 H new ATOM 0 HB ILE A 21 -15.045 -21.331 -7.676 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -12.052 -21.222 -8.270 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -12.749 -20.491 -6.838 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -14.148 -23.017 -9.257 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -15.174 -21.829 -10.097 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -13.402 -21.718 -10.218 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -11.957 -22.793 -6.351 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -13.725 -22.691 -6.174 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -13.018 -23.434 -7.628 1.00 0.00 H new ATOM 279 N GLY A 22 -12.272 -18.445 -9.249 1.00 0.00 N ATOM 280 CA GLY A 22 -11.125 -18.044 -10.111 1.00 0.00 C ATOM 281 C GLY A 22 -10.305 -16.967 -9.399 1.00 0.00 C ATOM 282 O GLY A 22 -10.721 -15.828 -9.279 1.00 0.00 O ATOM 0 H GLY A 22 -12.261 -18.050 -8.309 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -10.499 -18.909 -10.327 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -11.489 -17.667 -11.067 1.00 0.00 H new ATOM 286 N PHE A 23 -9.139 -17.324 -8.924 1.00 0.00 N ATOM 287 CA PHE A 23 -8.268 -16.340 -8.211 1.00 0.00 C ATOM 288 C PHE A 23 -7.169 -15.863 -9.160 1.00 0.00 C ATOM 289 O PHE A 23 -6.401 -16.646 -9.689 1.00 0.00 O ATOM 290 CB PHE A 23 -7.641 -17.008 -6.987 1.00 0.00 C ATOM 291 CG PHE A 23 -6.807 -15.995 -6.237 1.00 0.00 C ATOM 292 CD1 PHE A 23 -7.431 -14.911 -5.608 1.00 0.00 C ATOM 293 CD2 PHE A 23 -5.414 -16.134 -6.173 1.00 0.00 C ATOM 294 CE1 PHE A 23 -6.665 -13.967 -4.916 1.00 0.00 C ATOM 295 CE2 PHE A 23 -4.648 -15.188 -5.481 1.00 0.00 C ATOM 296 CZ PHE A 23 -5.274 -14.105 -4.852 1.00 0.00 C ATOM 0 H PHE A 23 -8.749 -18.264 -9.000 1.00 0.00 H new ATOM 0 HA PHE A 23 -8.864 -15.487 -7.887 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -8.420 -17.407 -6.337 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -7.021 -17.850 -7.296 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -8.505 -14.804 -5.657 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -4.932 -16.970 -6.657 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -7.147 -13.131 -4.431 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -3.574 -15.294 -5.432 1.00 0.00 H new ATOM 0 HZ PHE A 23 -4.683 -13.376 -4.317 1.00 0.00 H new ATOM 306 N ILE A 24 -7.102 -14.580 -9.383 1.00 0.00 N ATOM 307 CA ILE A 24 -6.075 -14.018 -10.305 1.00 0.00 C ATOM 308 C ILE A 24 -4.746 -13.813 -9.575 1.00 0.00 C ATOM 309 O ILE A 24 -4.698 -13.523 -8.394 1.00 0.00 O ATOM 310 CB ILE A 24 -6.577 -12.677 -10.865 1.00 0.00 C ATOM 311 CG1 ILE A 24 -7.327 -11.906 -9.770 1.00 0.00 C ATOM 312 CG2 ILE A 24 -7.515 -12.936 -12.041 1.00 0.00 C ATOM 313 CD1 ILE A 24 -7.479 -10.440 -10.187 1.00 0.00 C ATOM 0 H ILE A 24 -7.722 -13.889 -8.961 1.00 0.00 H new ATOM 0 HA ILE A 24 -5.911 -14.721 -11.122 1.00 0.00 H new ATOM 0 HB ILE A 24 -5.726 -12.086 -11.202 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -8.308 -12.351 -9.604 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -6.784 -11.972 -8.827 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -7.871 -11.986 -12.438 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -6.980 -13.478 -12.821 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -8.365 -13.530 -11.705 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -8.012 -9.894 -9.409 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -6.493 -9.998 -10.330 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -8.041 -10.383 -11.119 1.00 0.00 H new ATOM 325 N ILE A 25 -3.667 -13.965 -10.293 1.00 0.00 N ATOM 326 CA ILE A 25 -2.317 -13.789 -9.697 1.00 0.00 C ATOM 327 C ILE A 25 -2.180 -14.673 -8.453 1.00 0.00 C ATOM 328 O ILE A 25 -2.679 -14.364 -7.390 1.00 0.00 O ATOM 329 CB ILE A 25 -2.094 -12.318 -9.339 1.00 0.00 C ATOM 330 CG1 ILE A 25 -2.086 -11.491 -10.629 1.00 0.00 C ATOM 331 CG2 ILE A 25 -0.748 -12.159 -8.624 1.00 0.00 C ATOM 332 CD1 ILE A 25 -2.150 -10.002 -10.286 1.00 0.00 C ATOM 0 H ILE A 25 -3.667 -14.208 -11.284 1.00 0.00 H new ATOM 0 HA ILE A 25 -1.560 -14.088 -10.422 1.00 0.00 H new ATOM 0 HB ILE A 25 -2.892 -11.974 -8.680 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -1.184 -11.704 -11.203 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -2.935 -11.767 -11.255 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -0.592 -11.110 -8.371 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -0.747 -12.757 -7.712 1.00 0.00 H new ATOM 0 HG23 ILE A 25 0.054 -12.497 -9.280 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.144 -9.416 -11.205 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -3.065 -9.796 -9.730 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.287 -9.731 -9.678 1.00 0.00 H new ATOM 344 N ARG A 26 -1.508 -15.783 -8.603 1.00 0.00 N ATOM 345 CA ARG A 26 -1.327 -16.728 -7.464 1.00 0.00 C ATOM 346 C ARG A 26 -0.591 -16.050 -6.306 1.00 0.00 C ATOM 347 O ARG A 26 -0.864 -14.920 -5.950 1.00 0.00 O ATOM 348 CB ARG A 26 -0.507 -17.937 -7.942 1.00 0.00 C ATOM 349 CG ARG A 26 -0.744 -19.142 -7.010 1.00 0.00 C ATOM 350 CD ARG A 26 -1.968 -19.933 -7.485 1.00 0.00 C ATOM 351 NE ARG A 26 -2.220 -21.068 -6.559 1.00 0.00 N ATOM 352 CZ ARG A 26 -3.323 -21.768 -6.649 1.00 0.00 C ATOM 353 NH1 ARG A 26 -4.210 -21.493 -7.569 1.00 0.00 N ATOM 354 NH2 ARG A 26 -3.532 -22.750 -5.820 1.00 0.00 N ATOM 0 H ARG A 26 -1.072 -16.078 -9.477 1.00 0.00 H new ATOM 0 HA ARG A 26 -2.309 -17.047 -7.114 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -0.789 -18.196 -8.963 1.00 0.00 H new ATOM 0 HB3 ARG A 26 0.553 -17.683 -7.958 1.00 0.00 H new ATOM 0 HG2 ARG A 26 0.136 -19.786 -7.002 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -0.897 -18.798 -5.987 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -2.841 -19.282 -7.524 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -1.803 -20.305 -8.496 1.00 0.00 H new ATOM 0 HE ARG A 26 -1.528 -21.304 -5.848 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -4.046 -20.728 -8.224 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -5.067 -22.043 -7.632 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -2.838 -22.970 -5.105 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -4.389 -23.299 -5.885 1.00 0.00 H new ATOM 368 N GLU A 27 0.347 -16.753 -5.712 1.00 0.00 N ATOM 369 CA GLU A 27 1.122 -16.186 -4.569 1.00 0.00 C ATOM 370 C GLU A 27 2.616 -16.446 -4.790 1.00 0.00 C ATOM 371 O GLU A 27 3.280 -17.076 -3.988 1.00 0.00 O ATOM 372 CB GLU A 27 0.658 -16.854 -3.274 1.00 0.00 C ATOM 373 CG GLU A 27 1.198 -16.074 -2.075 1.00 0.00 C ATOM 374 CD GLU A 27 0.485 -14.722 -1.983 1.00 0.00 C ATOM 375 OE1 GLU A 27 -0.452 -14.515 -2.739 1.00 0.00 O ATOM 376 OE2 GLU A 27 0.887 -13.917 -1.161 1.00 0.00 O ATOM 0 H GLU A 27 0.608 -17.703 -5.976 1.00 0.00 H new ATOM 0 HA GLU A 27 0.956 -15.111 -4.500 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -0.431 -16.887 -3.239 1.00 0.00 H new ATOM 0 HB3 GLU A 27 1.009 -17.885 -3.238 1.00 0.00 H new ATOM 0 HG2 GLU A 27 1.043 -16.642 -1.158 1.00 0.00 H new ATOM 0 HG3 GLU A 27 2.273 -15.924 -2.179 1.00 0.00 H new ATOM 383 N GLY A 28 3.140 -15.957 -5.881 1.00 0.00 N ATOM 384 CA GLY A 28 4.585 -16.156 -6.193 1.00 0.00 C ATOM 385 C GLY A 28 5.461 -15.413 -5.182 1.00 0.00 C ATOM 386 O GLY A 28 4.991 -14.615 -4.392 1.00 0.00 O ATOM 0 H GLY A 28 2.622 -15.422 -6.578 1.00 0.00 H new ATOM 0 HA2 GLY A 28 4.823 -17.220 -6.176 1.00 0.00 H new ATOM 0 HA3 GLY A 28 4.798 -15.797 -7.200 1.00 0.00 H new ATOM 390 N ASP A 29 6.740 -15.679 -5.211 1.00 0.00 N ATOM 391 CA ASP A 29 7.682 -15.009 -4.272 1.00 0.00 C ATOM 392 C ASP A 29 8.001 -13.604 -4.785 1.00 0.00 C ATOM 393 O ASP A 29 8.715 -12.844 -4.159 1.00 0.00 O ATOM 394 CB ASP A 29 8.972 -15.829 -4.179 1.00 0.00 C ATOM 395 CG ASP A 29 9.553 -16.053 -5.580 1.00 0.00 C ATOM 396 OD1 ASP A 29 8.905 -15.672 -6.541 1.00 0.00 O ATOM 397 OD2 ASP A 29 10.640 -16.605 -5.666 1.00 0.00 O ATOM 0 H ASP A 29 7.176 -16.340 -5.854 1.00 0.00 H new ATOM 0 HA ASP A 29 7.226 -14.936 -3.285 1.00 0.00 H new ATOM 0 HB2 ASP A 29 9.698 -15.310 -3.554 1.00 0.00 H new ATOM 0 HB3 ASP A 29 8.769 -16.788 -3.703 1.00 0.00 H new ATOM 402 N ASP A 30 7.473 -13.257 -5.924 1.00 0.00 N ATOM 403 CA ASP A 30 7.732 -11.905 -6.500 1.00 0.00 C ATOM 404 C ASP A 30 6.597 -10.969 -6.082 1.00 0.00 C ATOM 405 O ASP A 30 6.294 -9.997 -6.751 1.00 0.00 O ATOM 406 CB ASP A 30 7.789 -12.011 -8.026 1.00 0.00 C ATOM 407 CG ASP A 30 8.173 -10.656 -8.621 1.00 0.00 C ATOM 408 OD1 ASP A 30 8.445 -9.751 -7.852 1.00 0.00 O ATOM 409 OD2 ASP A 30 8.188 -10.548 -9.836 1.00 0.00 O ATOM 0 H ASP A 30 6.868 -13.855 -6.487 1.00 0.00 H new ATOM 0 HA ASP A 30 8.681 -11.512 -6.135 1.00 0.00 H new ATOM 0 HB2 ASP A 30 8.516 -12.768 -8.321 1.00 0.00 H new ATOM 0 HB3 ASP A 30 6.822 -12.329 -8.415 1.00 0.00 H new ATOM 414 N VAL A 31 5.964 -11.269 -4.972 1.00 0.00 N ATOM 415 CA VAL A 31 4.833 -10.424 -4.480 1.00 0.00 C ATOM 416 C VAL A 31 5.059 -10.057 -3.015 1.00 0.00 C ATOM 417 O VAL A 31 5.728 -10.761 -2.282 1.00 0.00 O ATOM 418 CB VAL A 31 3.509 -11.196 -4.618 1.00 0.00 C ATOM 419 CG1 VAL A 31 3.368 -12.227 -3.480 1.00 0.00 C ATOM 420 CG2 VAL A 31 2.342 -10.206 -4.566 1.00 0.00 C ATOM 0 H VAL A 31 6.186 -12.071 -4.382 1.00 0.00 H new ATOM 0 HA VAL A 31 4.784 -9.513 -5.076 1.00 0.00 H new ATOM 0 HB VAL A 31 3.501 -11.726 -5.570 1.00 0.00 H new ATOM 0 HG11 VAL A 31 2.427 -12.765 -3.591 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.197 -12.933 -3.524 1.00 0.00 H new ATOM 0 HG13 VAL A 31 3.380 -11.712 -2.519 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.401 -10.747 -4.663 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.358 -9.674 -3.615 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.435 -9.491 -5.383 1.00 0.00 H new ATOM 430 N ALA A 32 4.500 -8.956 -2.589 1.00 0.00 N ATOM 431 CA ALA A 32 4.663 -8.511 -1.173 1.00 0.00 C ATOM 432 C ALA A 32 3.302 -8.106 -0.603 1.00 0.00 C ATOM 433 O ALA A 32 2.433 -7.619 -1.306 1.00 0.00 O ATOM 434 CB ALA A 32 5.631 -7.323 -1.130 1.00 0.00 C ATOM 0 H ALA A 32 3.931 -8.339 -3.168 1.00 0.00 H new ATOM 0 HA ALA A 32 5.066 -9.326 -0.571 1.00 0.00 H new ATOM 0 HB1 ALA A 32 5.755 -6.992 -0.099 1.00 0.00 H new ATOM 0 HB2 ALA A 32 6.597 -7.626 -1.533 1.00 0.00 H new ATOM 0 HB3 ALA A 32 5.230 -6.505 -1.728 1.00 0.00 H new ATOM 440 N GLU A 33 3.118 -8.309 0.672 1.00 0.00 N ATOM 441 CA GLU A 33 1.827 -7.952 1.325 1.00 0.00 C ATOM 442 C GLU A 33 1.897 -6.533 1.884 1.00 0.00 C ATOM 443 O GLU A 33 2.941 -6.062 2.299 1.00 0.00 O ATOM 444 CB GLU A 33 1.553 -8.933 2.464 1.00 0.00 C ATOM 445 CG GLU A 33 1.262 -10.314 1.876 1.00 0.00 C ATOM 446 CD GLU A 33 1.053 -11.325 3.004 1.00 0.00 C ATOM 447 OE1 GLU A 33 1.158 -10.934 4.154 1.00 0.00 O ATOM 448 OE2 GLU A 33 0.787 -12.477 2.697 1.00 0.00 O ATOM 0 H GLU A 33 3.816 -8.712 1.297 1.00 0.00 H new ATOM 0 HA GLU A 33 1.025 -8.004 0.588 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.413 -8.983 3.132 1.00 0.00 H new ATOM 0 HB3 GLU A 33 0.706 -8.591 3.059 1.00 0.00 H new ATOM 0 HG2 GLU A 33 0.374 -10.271 1.245 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.089 -10.630 1.241 1.00 0.00 H new ATOM 455 N VAL A 34 0.782 -5.851 1.891 1.00 0.00 N ATOM 456 CA VAL A 34 0.735 -4.454 2.414 1.00 0.00 C ATOM 457 C VAL A 34 -0.367 -4.343 3.464 1.00 0.00 C ATOM 458 O VAL A 34 -1.483 -4.788 3.266 1.00 0.00 O ATOM 459 CB VAL A 34 0.448 -3.491 1.260 1.00 0.00 C ATOM 460 CG1 VAL A 34 0.122 -2.099 1.814 1.00 0.00 C ATOM 461 CG2 VAL A 34 1.683 -3.404 0.364 1.00 0.00 C ATOM 0 H VAL A 34 -0.111 -6.208 1.551 1.00 0.00 H new ATOM 0 HA VAL A 34 1.692 -4.199 2.868 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.403 -3.856 0.685 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.082 -1.417 0.988 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.755 -2.160 2.459 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.970 -1.729 2.390 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.486 -2.719 -0.461 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.529 -3.038 0.945 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.915 -4.392 -0.032 1.00 0.00 H new ATOM 471 N SER A 35 -0.051 -3.746 4.583 1.00 0.00 N ATOM 472 CA SER A 35 -1.052 -3.581 5.677 1.00 0.00 C ATOM 473 C SER A 35 -1.146 -2.109 6.057 1.00 0.00 C ATOM 474 O SER A 35 -0.164 -1.486 6.423 1.00 0.00 O ATOM 475 CB SER A 35 -0.615 -4.395 6.892 1.00 0.00 C ATOM 476 OG SER A 35 -0.677 -5.777 6.572 1.00 0.00 O ATOM 0 H SER A 35 0.871 -3.361 4.788 1.00 0.00 H new ATOM 0 HA SER A 35 -2.026 -3.932 5.337 1.00 0.00 H new ATOM 0 HB2 SER A 35 0.399 -4.121 7.183 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.260 -4.177 7.743 1.00 0.00 H new ATOM 0 HG SER A 35 -0.396 -6.305 7.348 1.00 0.00 H new ATOM 482 N LEU A 36 -2.327 -1.552 5.972 1.00 0.00 N ATOM 483 CA LEU A 36 -2.527 -0.113 6.328 1.00 0.00 C ATOM 484 C LEU A 36 -3.549 -0.009 7.457 1.00 0.00 C ATOM 485 O LEU A 36 -4.599 -0.625 7.426 1.00 0.00 O ATOM 486 CB LEU A 36 -3.026 0.662 5.102 1.00 0.00 C ATOM 487 CG LEU A 36 -3.353 2.114 5.495 1.00 0.00 C ATOM 488 CD1 LEU A 36 -2.126 2.771 6.149 1.00 0.00 C ATOM 489 CD2 LEU A 36 -3.750 2.901 4.241 1.00 0.00 C ATOM 0 H LEU A 36 -3.171 -2.038 5.668 1.00 0.00 H new ATOM 0 HA LEU A 36 -1.579 0.315 6.656 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -2.267 0.650 4.320 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.913 0.179 4.692 1.00 0.00 H new ATOM 0 HG LEU A 36 -4.178 2.117 6.207 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.366 3.798 6.424 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.847 2.212 7.042 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.294 2.769 5.445 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.982 3.930 4.516 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.924 2.893 3.530 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.626 2.441 3.785 1.00 0.00 H new ATOM 501 N PHE A 37 -3.241 0.769 8.459 1.00 0.00 N ATOM 502 CA PHE A 37 -4.169 0.928 9.614 1.00 0.00 C ATOM 503 C PHE A 37 -5.065 2.147 9.403 1.00 0.00 C ATOM 504 O PHE A 37 -4.673 3.132 8.804 1.00 0.00 O ATOM 505 CB PHE A 37 -3.350 1.122 10.889 1.00 0.00 C ATOM 506 CG PHE A 37 -2.434 -0.061 11.079 1.00 0.00 C ATOM 507 CD1 PHE A 37 -2.879 -1.182 11.786 1.00 0.00 C ATOM 508 CD2 PHE A 37 -1.138 -0.037 10.546 1.00 0.00 C ATOM 509 CE1 PHE A 37 -2.032 -2.281 11.960 1.00 0.00 C ATOM 510 CE2 PHE A 37 -0.291 -1.137 10.721 1.00 0.00 C ATOM 511 CZ PHE A 37 -0.738 -2.260 11.428 1.00 0.00 C ATOM 0 H PHE A 37 -2.377 1.307 8.527 1.00 0.00 H new ATOM 0 HA PHE A 37 -4.792 0.038 9.700 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -2.767 2.041 10.824 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -4.013 1.225 11.748 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -3.877 -1.199 12.198 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -0.793 0.829 10.001 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -2.377 -3.147 12.506 1.00 0.00 H new ATOM 0 HE2 PHE A 37 0.708 -1.120 10.311 1.00 0.00 H new ATOM 0 HZ PHE A 37 -0.085 -3.109 11.563 1.00 0.00 H new ATOM 521 N GLY A 38 -6.269 2.081 9.898 1.00 0.00 N ATOM 522 CA GLY A 38 -7.208 3.223 9.742 1.00 0.00 C ATOM 523 C GLY A 38 -8.546 2.896 10.406 1.00 0.00 C ATOM 524 O GLY A 38 -8.733 1.838 10.977 1.00 0.00 O ATOM 0 H GLY A 38 -6.644 1.280 10.406 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -6.780 4.120 10.190 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -7.361 3.437 8.684 1.00 0.00 H new ATOM 528 N SER A 39 -9.476 3.810 10.333 1.00 0.00 N ATOM 529 CA SER A 39 -10.813 3.592 10.953 1.00 0.00 C ATOM 530 C SER A 39 -11.707 2.774 10.016 1.00 0.00 C ATOM 531 O SER A 39 -11.585 1.568 9.909 1.00 0.00 O ATOM 532 CB SER A 39 -11.472 4.950 11.213 1.00 0.00 C ATOM 533 OG SER A 39 -11.373 5.750 10.039 1.00 0.00 O ATOM 0 H SER A 39 -9.364 4.709 9.864 1.00 0.00 H new ATOM 0 HA SER A 39 -10.686 3.048 11.889 1.00 0.00 H new ATOM 0 HB2 SER A 39 -12.518 4.814 11.488 1.00 0.00 H new ATOM 0 HB3 SER A 39 -10.985 5.450 12.050 1.00 0.00 H new ATOM 0 HG SER A 39 -11.795 6.620 10.199 1.00 0.00 H new ATOM 539 N ASP A 40 -12.624 3.428 9.349 1.00 0.00 N ATOM 540 CA ASP A 40 -13.551 2.705 8.431 1.00 0.00 C ATOM 541 C ASP A 40 -12.904 2.497 7.059 1.00 0.00 C ATOM 542 O ASP A 40 -11.813 2.960 6.788 1.00 0.00 O ATOM 543 CB ASP A 40 -14.845 3.510 8.271 1.00 0.00 C ATOM 544 CG ASP A 40 -14.548 4.852 7.600 1.00 0.00 C ATOM 545 OD1 ASP A 40 -13.382 5.158 7.414 1.00 0.00 O ATOM 546 OD2 ASP A 40 -15.495 5.552 7.280 1.00 0.00 O ATOM 0 H ASP A 40 -12.770 4.436 9.402 1.00 0.00 H new ATOM 0 HA ASP A 40 -13.774 1.729 8.861 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -15.562 2.946 7.674 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -15.303 3.675 9.246 1.00 0.00 H new ATOM 551 N LYS A 41 -13.580 1.785 6.199 1.00 0.00 N ATOM 552 CA LYS A 41 -13.035 1.510 4.840 1.00 0.00 C ATOM 553 C LYS A 41 -12.861 2.814 4.054 1.00 0.00 C ATOM 554 O LYS A 41 -11.897 2.991 3.332 1.00 0.00 O ATOM 555 CB LYS A 41 -14.007 0.600 4.088 1.00 0.00 C ATOM 556 CG LYS A 41 -13.393 0.201 2.742 1.00 0.00 C ATOM 557 CD LYS A 41 -14.337 -0.743 1.984 1.00 0.00 C ATOM 558 CE LYS A 41 -14.266 -2.156 2.578 1.00 0.00 C ATOM 559 NZ LYS A 41 -14.931 -3.117 1.656 1.00 0.00 N ATOM 0 H LYS A 41 -14.497 1.378 6.383 1.00 0.00 H new ATOM 0 HA LYS A 41 -12.063 1.028 4.941 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -14.222 -0.290 4.680 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -14.955 1.114 3.930 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -13.201 1.092 2.144 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -12.432 -0.287 2.904 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -15.359 -0.368 2.040 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -14.065 -0.770 0.929 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -13.226 -2.445 2.733 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -14.752 -2.177 3.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -14.928 -4.066 2.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -15.912 -2.816 1.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -14.418 -3.142 0.752 1.00 0.00 H new ATOM 573 N ALA A 42 -13.791 3.720 4.174 1.00 0.00 N ATOM 574 CA ALA A 42 -13.688 5.006 3.418 1.00 0.00 C ATOM 575 C ALA A 42 -12.362 5.701 3.749 1.00 0.00 C ATOM 576 O ALA A 42 -11.683 6.216 2.880 1.00 0.00 O ATOM 577 CB ALA A 42 -14.847 5.920 3.823 1.00 0.00 C ATOM 0 H ALA A 42 -14.619 3.628 4.762 1.00 0.00 H new ATOM 0 HA ALA A 42 -13.730 4.799 2.349 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -14.778 6.860 3.275 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -15.794 5.433 3.589 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -14.796 6.119 4.893 1.00 0.00 H new ATOM 583 N HIS A 43 -11.994 5.721 5.001 1.00 0.00 N ATOM 584 CA HIS A 43 -10.716 6.382 5.405 1.00 0.00 C ATOM 585 C HIS A 43 -9.523 5.604 4.834 1.00 0.00 C ATOM 586 O HIS A 43 -8.568 6.177 4.338 1.00 0.00 O ATOM 587 CB HIS A 43 -10.622 6.400 6.932 1.00 0.00 C ATOM 588 CG HIS A 43 -9.394 7.159 7.354 1.00 0.00 C ATOM 589 ND1 HIS A 43 -9.309 8.538 7.255 1.00 0.00 N ATOM 590 CD2 HIS A 43 -8.193 6.746 7.878 1.00 0.00 C ATOM 591 CE1 HIS A 43 -8.096 8.904 7.706 1.00 0.00 C ATOM 592 NE2 HIS A 43 -7.375 7.850 8.098 1.00 0.00 N ATOM 0 H HIS A 43 -12.525 5.306 5.767 1.00 0.00 H new ATOM 0 HA HIS A 43 -10.698 7.401 5.019 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -11.512 6.865 7.356 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -10.581 5.381 7.316 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -10.035 9.163 6.904 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -7.925 5.721 8.087 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -7.747 9.925 7.746 1.00 0.00 H new ATOM 600 N LEU A 44 -9.568 4.300 4.910 1.00 0.00 N ATOM 601 CA LEU A 44 -8.442 3.470 4.384 1.00 0.00 C ATOM 602 C LEU A 44 -8.317 3.659 2.872 1.00 0.00 C ATOM 603 O LEU A 44 -7.229 3.743 2.332 1.00 0.00 O ATOM 604 CB LEU A 44 -8.710 1.990 4.687 1.00 0.00 C ATOM 605 CG LEU A 44 -8.567 1.717 6.194 1.00 0.00 C ATOM 606 CD1 LEU A 44 -9.248 0.387 6.540 1.00 0.00 C ATOM 607 CD2 LEU A 44 -7.080 1.629 6.584 1.00 0.00 C ATOM 0 H LEU A 44 -10.340 3.771 5.316 1.00 0.00 H new ATOM 0 HA LEU A 44 -7.515 3.783 4.865 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -9.713 1.720 4.356 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.011 1.366 4.130 1.00 0.00 H new ATOM 0 HG LEU A 44 -9.036 2.534 6.742 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -9.147 0.193 7.608 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -10.305 0.441 6.280 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.777 -0.420 5.979 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -6.995 1.436 7.653 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -6.606 0.819 6.030 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -6.585 2.570 6.345 1.00 0.00 H new ATOM 619 N GLU A 45 -9.423 3.718 2.182 1.00 0.00 N ATOM 620 CA GLU A 45 -9.375 3.895 0.699 1.00 0.00 C ATOM 621 C GLU A 45 -8.779 5.263 0.363 1.00 0.00 C ATOM 622 O GLU A 45 -8.057 5.424 -0.607 1.00 0.00 O ATOM 623 CB GLU A 45 -10.792 3.799 0.125 1.00 0.00 C ATOM 624 CG GLU A 45 -11.295 2.359 0.241 1.00 0.00 C ATOM 625 CD GLU A 45 -12.752 2.279 -0.225 1.00 0.00 C ATOM 626 OE1 GLU A 45 -13.291 3.306 -0.600 1.00 0.00 O ATOM 627 OE2 GLU A 45 -13.301 1.189 -0.201 1.00 0.00 O ATOM 0 H GLU A 45 -10.360 3.651 2.580 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.753 3.113 0.263 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -11.460 4.473 0.662 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -10.795 4.113 -0.919 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -10.674 1.697 -0.363 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -11.214 2.018 1.273 1.00 0.00 H new ATOM 634 N GLY A 46 -9.077 6.250 1.162 1.00 0.00 N ATOM 635 CA GLY A 46 -8.537 7.617 0.906 1.00 0.00 C ATOM 636 C GLY A 46 -7.010 7.578 0.959 1.00 0.00 C ATOM 637 O GLY A 46 -6.328 8.169 0.141 1.00 0.00 O ATOM 0 H GLY A 46 -9.674 6.169 1.985 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -8.869 7.974 -0.069 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -8.920 8.316 1.649 1.00 0.00 H new ATOM 641 N LYS A 47 -6.471 6.875 1.916 1.00 0.00 N ATOM 642 CA LYS A 47 -4.988 6.772 2.039 1.00 0.00 C ATOM 643 C LYS A 47 -4.477 5.679 1.098 1.00 0.00 C ATOM 644 O LYS A 47 -3.302 5.605 0.786 1.00 0.00 O ATOM 645 CB LYS A 47 -4.628 6.418 3.483 1.00 0.00 C ATOM 646 CG LYS A 47 -4.852 7.635 4.384 1.00 0.00 C ATOM 647 CD LYS A 47 -4.511 7.274 5.834 1.00 0.00 C ATOM 648 CE LYS A 47 -4.691 8.504 6.728 1.00 0.00 C ATOM 649 NZ LYS A 47 -4.381 8.142 8.141 1.00 0.00 N ATOM 0 H LYS A 47 -6.998 6.363 2.624 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.527 7.723 1.772 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.238 5.583 3.826 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.588 6.097 3.540 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.231 8.466 4.050 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -5.889 7.965 4.315 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.155 6.465 6.178 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -3.484 6.913 5.897 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -4.034 9.308 6.395 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -5.713 8.875 6.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -3.930 8.950 8.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -5.261 7.897 8.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.736 7.327 8.157 1.00 0.00 H new ATOM 663 N LEU A 48 -5.356 4.830 0.648 1.00 0.00 N ATOM 664 CA LEU A 48 -4.943 3.734 -0.275 1.00 0.00 C ATOM 665 C LEU A 48 -4.455 4.330 -1.598 1.00 0.00 C ATOM 666 O LEU A 48 -3.507 3.858 -2.196 1.00 0.00 O ATOM 667 CB LEU A 48 -6.141 2.820 -0.551 1.00 0.00 C ATOM 668 CG LEU A 48 -5.707 1.632 -1.424 1.00 0.00 C ATOM 669 CD1 LEU A 48 -4.680 0.768 -0.670 1.00 0.00 C ATOM 670 CD2 LEU A 48 -6.937 0.786 -1.780 1.00 0.00 C ATOM 0 H LEU A 48 -6.349 4.847 0.880 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.139 3.161 0.187 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.557 2.458 0.389 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.929 3.382 -1.053 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.246 2.008 -2.338 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.379 -0.071 -1.298 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.805 1.371 -0.427 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.127 0.391 0.250 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.632 -0.057 -2.399 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.401 0.416 -0.866 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -7.653 1.398 -2.328 1.00 0.00 H new ATOM 682 N ALA A 49 -5.116 5.353 -2.064 1.00 0.00 N ATOM 683 CA ALA A 49 -4.717 5.980 -3.357 1.00 0.00 C ATOM 684 C ALA A 49 -3.236 6.362 -3.306 1.00 0.00 C ATOM 685 O ALA A 49 -2.553 6.397 -4.314 1.00 0.00 O ATOM 686 CB ALA A 49 -5.556 7.240 -3.583 1.00 0.00 C ATOM 0 H ALA A 49 -5.918 5.784 -1.604 1.00 0.00 H new ATOM 0 HA ALA A 49 -4.881 5.274 -4.171 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.269 7.704 -4.527 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -6.612 6.973 -3.616 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -5.385 7.942 -2.767 1.00 0.00 H new ATOM 692 N GLU A 50 -2.735 6.646 -2.136 1.00 0.00 N ATOM 693 CA GLU A 50 -1.298 7.023 -2.001 1.00 0.00 C ATOM 694 C GLU A 50 -0.421 5.813 -2.346 1.00 0.00 C ATOM 695 O GLU A 50 0.578 5.924 -3.032 1.00 0.00 O ATOM 696 CB GLU A 50 -1.025 7.437 -0.552 1.00 0.00 C ATOM 697 CG GLU A 50 -1.858 8.671 -0.201 1.00 0.00 C ATOM 698 CD GLU A 50 -1.377 9.866 -1.023 1.00 0.00 C ATOM 699 OE1 GLU A 50 -0.263 9.810 -1.515 1.00 0.00 O ATOM 700 OE2 GLU A 50 -2.130 10.817 -1.145 1.00 0.00 O ATOM 0 H GLU A 50 -3.261 6.633 -1.262 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.070 7.848 -2.676 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -1.271 6.617 0.123 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.035 7.653 -0.419 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -2.912 8.480 -0.402 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -1.771 8.890 0.863 1.00 0.00 H new ATOM 707 N TYR A 51 -0.798 4.657 -1.870 1.00 0.00 N ATOM 708 CA TYR A 51 -0.008 3.419 -2.151 1.00 0.00 C ATOM 709 C TYR A 51 0.031 3.157 -3.659 1.00 0.00 C ATOM 710 O TYR A 51 1.060 2.825 -4.221 1.00 0.00 O ATOM 711 CB TYR A 51 -0.685 2.229 -1.456 1.00 0.00 C ATOM 712 CG TYR A 51 -0.374 2.243 0.025 1.00 0.00 C ATOM 713 CD1 TYR A 51 -0.971 3.197 0.858 1.00 0.00 C ATOM 714 CD2 TYR A 51 0.514 1.303 0.564 1.00 0.00 C ATOM 715 CE1 TYR A 51 -0.681 3.209 2.228 1.00 0.00 C ATOM 716 CE2 TYR A 51 0.806 1.317 1.933 1.00 0.00 C ATOM 717 CZ TYR A 51 0.209 2.270 2.765 1.00 0.00 C ATOM 718 OH TYR A 51 0.502 2.287 4.112 1.00 0.00 O ATOM 0 H TYR A 51 -1.627 4.514 -1.293 1.00 0.00 H new ATOM 0 HA TYR A 51 1.009 3.546 -1.780 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -1.763 2.274 -1.609 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -0.339 1.295 -1.899 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -1.655 3.923 0.444 1.00 0.00 H new ATOM 0 HD2 TYR A 51 0.974 0.566 -0.078 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -1.144 3.943 2.871 1.00 0.00 H new ATOM 0 HE2 TYR A 51 1.492 0.592 2.347 1.00 0.00 H new ATOM 0 HH TYR A 51 1.135 1.568 4.318 1.00 0.00 H new ATOM 728 N ILE A 52 -1.091 3.286 -4.307 1.00 0.00 N ATOM 729 CA ILE A 52 -1.154 3.034 -5.775 1.00 0.00 C ATOM 730 C ILE A 52 -0.315 4.068 -6.536 1.00 0.00 C ATOM 731 O ILE A 52 0.402 3.742 -7.465 1.00 0.00 O ATOM 732 CB ILE A 52 -2.614 3.132 -6.232 1.00 0.00 C ATOM 733 CG1 ILE A 52 -3.417 1.980 -5.619 1.00 0.00 C ATOM 734 CG2 ILE A 52 -2.681 3.046 -7.760 1.00 0.00 C ATOM 735 CD1 ILE A 52 -4.913 2.205 -5.856 1.00 0.00 C ATOM 0 H ILE A 52 -1.976 3.558 -3.880 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.756 2.041 -5.983 1.00 0.00 H new ATOM 0 HB ILE A 52 -3.034 4.083 -5.905 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -3.108 1.033 -6.062 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -3.215 1.913 -4.550 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.720 3.116 -8.083 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.109 3.865 -8.196 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.262 2.095 -8.090 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -5.479 1.383 -5.418 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -5.218 3.143 -5.392 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -5.109 2.250 -6.927 1.00 0.00 H new ATOM 747 N SER A 53 -0.417 5.315 -6.164 1.00 0.00 N ATOM 748 CA SER A 53 0.355 6.378 -6.875 1.00 0.00 C ATOM 749 C SER A 53 1.859 6.116 -6.751 1.00 0.00 C ATOM 750 O SER A 53 2.583 6.090 -7.727 1.00 0.00 O ATOM 751 CB SER A 53 0.022 7.737 -6.248 1.00 0.00 C ATOM 752 OG SER A 53 0.370 8.773 -7.155 1.00 0.00 O ATOM 0 H SER A 53 -1.002 5.646 -5.397 1.00 0.00 H new ATOM 0 HA SER A 53 0.084 6.374 -7.931 1.00 0.00 H new ATOM 0 HB2 SER A 53 -1.040 7.789 -6.009 1.00 0.00 H new ATOM 0 HB3 SER A 53 0.566 7.861 -5.311 1.00 0.00 H new ATOM 0 HG SER A 53 0.156 9.642 -6.756 1.00 0.00 H new ATOM 758 N LEU A 54 2.325 5.917 -5.553 1.00 0.00 N ATOM 759 CA LEU A 54 3.777 5.648 -5.339 1.00 0.00 C ATOM 760 C LEU A 54 4.156 4.307 -5.969 1.00 0.00 C ATOM 761 O LEU A 54 5.229 4.144 -6.518 1.00 0.00 O ATOM 762 CB LEU A 54 4.064 5.621 -3.830 1.00 0.00 C ATOM 763 CG LEU A 54 4.302 7.049 -3.305 1.00 0.00 C ATOM 764 CD1 LEU A 54 5.658 7.591 -3.809 1.00 0.00 C ATOM 765 CD2 LEU A 54 3.165 7.973 -3.775 1.00 0.00 C ATOM 0 H LEU A 54 1.760 5.929 -4.704 1.00 0.00 H new ATOM 0 HA LEU A 54 4.369 6.433 -5.808 1.00 0.00 H new ATOM 0 HB2 LEU A 54 3.226 5.167 -3.302 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.939 5.002 -3.630 1.00 0.00 H new ATOM 0 HG LEU A 54 4.320 7.022 -2.215 1.00 0.00 H new ATOM 0 HD11 LEU A 54 5.810 8.601 -3.429 1.00 0.00 H new ATOM 0 HD12 LEU A 54 6.462 6.945 -3.456 1.00 0.00 H new ATOM 0 HD13 LEU A 54 5.660 7.610 -4.899 1.00 0.00 H new ATOM 0 HD21 LEU A 54 3.338 8.982 -3.401 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.137 7.990 -4.865 1.00 0.00 H new ATOM 0 HD23 LEU A 54 2.214 7.603 -3.393 1.00 0.00 H new ATOM 777 N ALA A 55 3.288 3.343 -5.873 1.00 0.00 N ATOM 778 CA ALA A 55 3.585 1.997 -6.440 1.00 0.00 C ATOM 779 C ALA A 55 3.941 2.112 -7.927 1.00 0.00 C ATOM 780 O ALA A 55 4.920 1.552 -8.388 1.00 0.00 O ATOM 781 CB ALA A 55 2.345 1.117 -6.288 1.00 0.00 C ATOM 0 H ALA A 55 2.377 3.428 -5.422 1.00 0.00 H new ATOM 0 HA ALA A 55 4.430 1.560 -5.908 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.548 0.128 -6.699 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.091 1.026 -5.232 1.00 0.00 H new ATOM 0 HB3 ALA A 55 1.510 1.569 -6.824 1.00 0.00 H new ATOM 787 N LYS A 56 3.152 2.826 -8.680 1.00 0.00 N ATOM 788 CA LYS A 56 3.438 2.979 -10.137 1.00 0.00 C ATOM 789 C LYS A 56 4.741 3.756 -10.339 1.00 0.00 C ATOM 790 O LYS A 56 5.556 3.420 -11.178 1.00 0.00 O ATOM 791 CB LYS A 56 2.289 3.737 -10.805 1.00 0.00 C ATOM 792 CG LYS A 56 1.061 2.832 -10.898 1.00 0.00 C ATOM 793 CD LYS A 56 -0.093 3.598 -11.551 1.00 0.00 C ATOM 794 CE LYS A 56 -1.268 2.647 -11.791 1.00 0.00 C ATOM 795 NZ LYS A 56 -1.761 2.122 -10.488 1.00 0.00 N ATOM 0 H LYS A 56 2.318 3.312 -8.350 1.00 0.00 H new ATOM 0 HA LYS A 56 3.538 1.990 -10.584 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.050 4.633 -10.232 1.00 0.00 H new ATOM 0 HB3 LYS A 56 2.587 4.065 -11.801 1.00 0.00 H new ATOM 0 HG2 LYS A 56 1.296 1.942 -11.481 1.00 0.00 H new ATOM 0 HG3 LYS A 56 0.770 2.494 -9.904 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -0.404 4.423 -10.910 1.00 0.00 H new ATOM 0 HD3 LYS A 56 0.234 4.034 -12.495 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -2.071 3.169 -12.311 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -0.956 1.822 -12.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -1.662 1.087 -10.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -1.204 2.536 -9.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -2.762 2.376 -10.368 1.00 0.00 H new ATOM 809 N GLN A 57 4.937 4.800 -9.580 1.00 0.00 N ATOM 810 CA GLN A 57 6.182 5.611 -9.726 1.00 0.00 C ATOM 811 C GLN A 57 7.391 4.767 -9.321 1.00 0.00 C ATOM 812 O GLN A 57 8.403 4.738 -9.997 1.00 0.00 O ATOM 813 CB GLN A 57 6.097 6.838 -8.813 1.00 0.00 C ATOM 814 CG GLN A 57 5.010 7.786 -9.320 1.00 0.00 C ATOM 815 CD GLN A 57 4.903 9.001 -8.394 1.00 0.00 C ATOM 816 OE1 GLN A 57 5.463 8.965 -7.215 1.00 0.00 O flip ATOM 817 NE2 GLN A 57 4.301 9.997 -8.747 1.00 0.00 N flip ATOM 0 H GLN A 57 4.289 5.127 -8.864 1.00 0.00 H new ATOM 0 HA GLN A 57 6.289 5.929 -10.763 1.00 0.00 H new ATOM 0 HB2 GLN A 57 5.875 6.528 -7.792 1.00 0.00 H new ATOM 0 HB3 GLN A 57 7.058 7.352 -8.788 1.00 0.00 H new ATOM 0 HG2 GLN A 57 5.243 8.110 -10.334 1.00 0.00 H new ATOM 0 HG3 GLN A 57 4.053 7.266 -9.363 1.00 0.00 H new ATOM 0 HE21 GLN A 57 3.862 10.028 -9.667 1.00 0.00 H new ATOM 0 HE22 GLN A 57 4.235 10.801 -8.123 1.00 0.00 H new ATOM 826 N VAL A 58 7.286 4.079 -8.220 1.00 0.00 N ATOM 827 CA VAL A 58 8.413 3.226 -7.753 1.00 0.00 C ATOM 828 C VAL A 58 8.639 2.093 -8.754 1.00 0.00 C ATOM 829 O VAL A 58 9.756 1.798 -9.138 1.00 0.00 O ATOM 830 CB VAL A 58 8.059 2.638 -6.384 1.00 0.00 C ATOM 831 CG1 VAL A 58 9.110 1.602 -5.977 1.00 0.00 C ATOM 832 CG2 VAL A 58 8.019 3.760 -5.343 1.00 0.00 C ATOM 0 H VAL A 58 6.462 4.071 -7.619 1.00 0.00 H new ATOM 0 HA VAL A 58 9.322 3.823 -7.672 1.00 0.00 H new ATOM 0 HB VAL A 58 7.083 2.156 -6.441 1.00 0.00 H new ATOM 0 HG11 VAL A 58 8.853 1.187 -5.002 1.00 0.00 H new ATOM 0 HG12 VAL A 58 9.137 0.802 -6.716 1.00 0.00 H new ATOM 0 HG13 VAL A 58 10.089 2.079 -5.922 1.00 0.00 H new ATOM 0 HG21 VAL A 58 7.767 3.343 -4.368 1.00 0.00 H new ATOM 0 HG22 VAL A 58 8.995 4.242 -5.290 1.00 0.00 H new ATOM 0 HG23 VAL A 58 7.266 4.495 -5.629 1.00 0.00 H new ATOM 842 N TYR A 59 7.578 1.455 -9.176 1.00 0.00 N ATOM 843 CA TYR A 59 7.698 0.331 -10.156 1.00 0.00 C ATOM 844 C TYR A 59 6.676 0.532 -11.276 1.00 0.00 C ATOM 845 O TYR A 59 5.482 0.585 -11.048 1.00 0.00 O ATOM 846 CB TYR A 59 7.439 -0.995 -9.441 1.00 0.00 C ATOM 847 CG TYR A 59 7.714 -2.141 -10.388 1.00 0.00 C ATOM 848 CD1 TYR A 59 6.702 -2.611 -11.235 1.00 0.00 C ATOM 849 CD2 TYR A 59 8.983 -2.732 -10.419 1.00 0.00 C ATOM 850 CE1 TYR A 59 6.962 -3.670 -12.113 1.00 0.00 C ATOM 851 CE2 TYR A 59 9.241 -3.792 -11.296 1.00 0.00 C ATOM 852 CZ TYR A 59 8.230 -4.261 -12.143 1.00 0.00 C ATOM 853 OH TYR A 59 8.486 -5.304 -13.011 1.00 0.00 O ATOM 0 H TYR A 59 6.624 1.666 -8.882 1.00 0.00 H new ATOM 0 HA TYR A 59 8.701 0.314 -10.583 1.00 0.00 H new ATOM 0 HB2 TYR A 59 8.076 -1.076 -8.560 1.00 0.00 H new ATOM 0 HB3 TYR A 59 6.407 -1.037 -9.093 1.00 0.00 H new ATOM 0 HD1 TYR A 59 5.722 -2.157 -11.211 1.00 0.00 H new ATOM 0 HD2 TYR A 59 9.763 -2.370 -9.766 1.00 0.00 H new ATOM 0 HE1 TYR A 59 6.183 -4.031 -12.768 1.00 0.00 H new ATOM 0 HE2 TYR A 59 10.220 -4.248 -11.319 1.00 0.00 H new ATOM 0 HH TYR A 59 9.415 -5.598 -12.905 1.00 0.00 H new ATOM 863 N ALA A 60 7.150 0.659 -12.485 1.00 0.00 N ATOM 864 CA ALA A 60 6.239 0.876 -13.645 1.00 0.00 C ATOM 865 C ALA A 60 5.435 -0.392 -13.954 1.00 0.00 C ATOM 866 O ALA A 60 5.915 -1.504 -13.825 1.00 0.00 O ATOM 867 CB ALA A 60 7.065 1.269 -14.869 1.00 0.00 C ATOM 0 H ALA A 60 8.142 0.621 -12.721 1.00 0.00 H new ATOM 0 HA ALA A 60 5.540 1.674 -13.395 1.00 0.00 H new ATOM 0 HB1 ALA A 60 6.402 1.429 -15.719 1.00 0.00 H new ATOM 0 HB2 ALA A 60 7.613 2.188 -14.659 1.00 0.00 H new ATOM 0 HB3 ALA A 60 7.770 0.472 -15.103 1.00 0.00 H new ATOM 873 N ASN A 61 4.207 -0.210 -14.366 1.00 0.00 N ATOM 874 CA ASN A 61 3.322 -1.363 -14.701 1.00 0.00 C ATOM 875 C ASN A 61 3.196 -2.277 -13.480 1.00 0.00 C ATOM 876 O ASN A 61 3.231 -3.489 -13.579 1.00 0.00 O ATOM 877 CB ASN A 61 3.895 -2.136 -15.892 1.00 0.00 C ATOM 878 CG ASN A 61 2.813 -3.052 -16.468 1.00 0.00 C ATOM 879 OD1 ASN A 61 1.918 -3.474 -15.763 1.00 0.00 O ATOM 880 ND2 ASN A 61 2.849 -3.368 -17.733 1.00 0.00 N ATOM 0 H ASN A 61 3.774 0.706 -14.486 1.00 0.00 H new ATOM 0 HA ASN A 61 2.333 -0.995 -14.974 1.00 0.00 H new ATOM 0 HB2 ASN A 61 4.245 -1.442 -16.656 1.00 0.00 H new ATOM 0 HB3 ASN A 61 4.757 -2.725 -15.578 1.00 0.00 H new ATOM 0 HD21 ASN A 61 2.126 -3.969 -18.129 1.00 0.00 H new ATOM 0 HD22 ASN A 61 3.600 -3.014 -18.326 1.00 0.00 H new ATOM 887 N VAL A 62 3.051 -1.685 -12.327 1.00 0.00 N ATOM 888 CA VAL A 62 2.924 -2.477 -11.073 1.00 0.00 C ATOM 889 C VAL A 62 1.543 -3.122 -10.987 1.00 0.00 C ATOM 890 O VAL A 62 0.535 -2.519 -11.310 1.00 0.00 O ATOM 891 CB VAL A 62 3.146 -1.564 -9.866 1.00 0.00 C ATOM 892 CG1 VAL A 62 1.982 -0.573 -9.732 1.00 0.00 C ATOM 893 CG2 VAL A 62 3.241 -2.416 -8.598 1.00 0.00 C ATOM 0 H VAL A 62 3.015 -0.674 -12.200 1.00 0.00 H new ATOM 0 HA VAL A 62 3.677 -3.266 -11.076 1.00 0.00 H new ATOM 0 HB VAL A 62 4.072 -1.006 -10.005 1.00 0.00 H new ATOM 0 HG11 VAL A 62 2.151 0.072 -8.870 1.00 0.00 H new ATOM 0 HG12 VAL A 62 1.917 0.036 -10.634 1.00 0.00 H new ATOM 0 HG13 VAL A 62 1.050 -1.122 -9.598 1.00 0.00 H new ATOM 0 HG21 VAL A 62 3.399 -1.768 -7.736 1.00 0.00 H new ATOM 0 HG22 VAL A 62 2.315 -2.976 -8.466 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.076 -3.111 -8.688 1.00 0.00 H new ATOM 903 N GLU A 63 1.499 -4.354 -10.546 1.00 0.00 N ATOM 904 CA GLU A 63 0.201 -5.083 -10.420 1.00 0.00 C ATOM 905 C GLU A 63 -0.102 -5.326 -8.947 1.00 0.00 C ATOM 906 O GLU A 63 0.764 -5.677 -8.167 1.00 0.00 O ATOM 907 CB GLU A 63 0.306 -6.427 -11.145 1.00 0.00 C ATOM 908 CG GLU A 63 0.438 -6.190 -12.651 1.00 0.00 C ATOM 909 CD GLU A 63 -0.869 -5.606 -13.197 1.00 0.00 C ATOM 910 OE1 GLU A 63 -1.842 -5.583 -12.462 1.00 0.00 O ATOM 911 OE2 GLU A 63 -0.874 -5.190 -14.344 1.00 0.00 O ATOM 0 H GLU A 63 2.318 -4.892 -10.264 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.598 -4.488 -10.863 1.00 0.00 H new ATOM 0 HB2 GLU A 63 1.168 -6.983 -10.777 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -0.576 -7.033 -10.938 1.00 0.00 H new ATOM 0 HG2 GLU A 63 1.264 -5.508 -12.851 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.669 -7.127 -13.158 1.00 0.00 H new ATOM 918 N TYR A 64 -1.333 -5.131 -8.558 1.00 0.00 N ATOM 919 CA TYR A 64 -1.712 -5.337 -7.133 1.00 0.00 C ATOM 920 C TYR A 64 -3.165 -5.789 -7.031 1.00 0.00 C ATOM 921 O TYR A 64 -3.954 -5.619 -7.943 1.00 0.00 O ATOM 922 CB TYR A 64 -1.533 -4.029 -6.359 1.00 0.00 C ATOM 923 CG TYR A 64 -2.370 -2.932 -6.982 1.00 0.00 C ATOM 924 CD1 TYR A 64 -3.692 -2.732 -6.564 1.00 0.00 C ATOM 925 CD2 TYR A 64 -1.819 -2.107 -7.972 1.00 0.00 C ATOM 926 CE1 TYR A 64 -4.461 -1.708 -7.134 1.00 0.00 C ATOM 927 CE2 TYR A 64 -2.589 -1.085 -8.542 1.00 0.00 C ATOM 928 CZ TYR A 64 -3.909 -0.885 -8.124 1.00 0.00 C ATOM 929 OH TYR A 64 -4.667 0.124 -8.685 1.00 0.00 O ATOM 0 H TYR A 64 -2.095 -4.837 -9.169 1.00 0.00 H new ATOM 0 HA TYR A 64 -1.069 -6.108 -6.708 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -1.824 -4.171 -5.318 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -0.482 -3.739 -6.359 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -4.119 -3.367 -5.802 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -0.800 -2.259 -8.296 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -5.480 -1.554 -6.810 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -2.163 -0.451 -9.305 1.00 0.00 H new ATOM 0 HH TYR A 64 -4.133 0.601 -9.354 1.00 0.00 H new ATOM 939 N GLU A 65 -3.518 -6.365 -5.913 1.00 0.00 N ATOM 940 CA GLU A 65 -4.915 -6.841 -5.705 1.00 0.00 C ATOM 941 C GLU A 65 -5.317 -6.584 -4.254 1.00 0.00 C ATOM 942 O GLU A 65 -4.495 -6.613 -3.357 1.00 0.00 O ATOM 943 CB GLU A 65 -4.996 -8.342 -6.000 1.00 0.00 C ATOM 944 CG GLU A 65 -6.457 -8.798 -5.954 1.00 0.00 C ATOM 945 CD GLU A 65 -7.220 -8.188 -7.133 1.00 0.00 C ATOM 946 OE1 GLU A 65 -6.577 -7.618 -8.000 1.00 0.00 O ATOM 947 OE2 GLU A 65 -8.434 -8.297 -7.147 1.00 0.00 O ATOM 0 H GLU A 65 -2.890 -6.527 -5.126 1.00 0.00 H new ATOM 0 HA GLU A 65 -5.589 -6.307 -6.375 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -4.570 -8.553 -6.981 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -4.408 -8.898 -5.270 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -6.511 -9.886 -5.996 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -6.915 -8.492 -5.013 1.00 0.00 H new ATOM 954 N VAL A 66 -6.583 -6.331 -4.022 1.00 0.00 N ATOM 955 CA VAL A 66 -7.069 -6.058 -2.635 1.00 0.00 C ATOM 956 C VAL A 66 -7.958 -7.206 -2.162 1.00 0.00 C ATOM 957 O VAL A 66 -8.868 -7.638 -2.848 1.00 0.00 O ATOM 958 CB VAL A 66 -7.859 -4.749 -2.623 1.00 0.00 C ATOM 959 CG1 VAL A 66 -8.571 -4.585 -1.278 1.00 0.00 C ATOM 960 CG2 VAL A 66 -6.892 -3.580 -2.832 1.00 0.00 C ATOM 0 H VAL A 66 -7.305 -6.302 -4.742 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.216 -5.972 -1.962 1.00 0.00 H new ATOM 0 HB VAL A 66 -8.601 -4.765 -3.421 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -9.132 -3.651 -1.275 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -9.255 -5.420 -1.124 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -7.833 -4.568 -0.476 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -7.448 -2.642 -2.825 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -6.154 -3.571 -2.030 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -6.385 -3.694 -3.790 1.00 0.00 H new ATOM 970 N ALA A 67 -7.688 -7.697 -0.983 1.00 0.00 N ATOM 971 CA ALA A 67 -8.486 -8.821 -0.424 1.00 0.00 C ATOM 972 C ALA A 67 -9.777 -8.274 0.205 1.00 0.00 C ATOM 973 O ALA A 67 -9.854 -7.113 0.555 1.00 0.00 O ATOM 974 CB ALA A 67 -7.650 -9.542 0.646 1.00 0.00 C ATOM 0 H ALA A 67 -6.939 -7.362 -0.377 1.00 0.00 H new ATOM 0 HA ALA A 67 -8.747 -9.520 -1.218 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -8.226 -10.368 1.062 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -6.736 -9.928 0.195 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -7.394 -8.841 1.441 1.00 0.00 H new ATOM 980 N PRO A 68 -10.780 -9.106 0.363 1.00 0.00 N ATOM 981 CA PRO A 68 -12.072 -8.687 0.982 1.00 0.00 C ATOM 982 C PRO A 68 -11.867 -7.980 2.327 1.00 0.00 C ATOM 983 O PRO A 68 -11.185 -8.471 3.208 1.00 0.00 O ATOM 984 CB PRO A 68 -12.840 -10.008 1.174 1.00 0.00 C ATOM 985 CG PRO A 68 -12.247 -10.962 0.186 1.00 0.00 C ATOM 986 CD PRO A 68 -10.799 -10.524 -0.040 1.00 0.00 C ATOM 0 HA PRO A 68 -12.603 -7.968 0.359 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -12.732 -10.380 2.193 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -13.907 -9.871 0.996 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -12.287 -11.984 0.564 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -12.806 -10.946 -0.750 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -10.106 -11.117 0.558 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -10.505 -10.645 -1.083 1.00 0.00 H new ATOM 994 N VAL A 69 -12.458 -6.824 2.480 1.00 0.00 N ATOM 995 CA VAL A 69 -12.321 -6.049 3.750 1.00 0.00 C ATOM 996 C VAL A 69 -13.699 -5.593 4.237 1.00 0.00 C ATOM 997 O VAL A 69 -14.515 -5.105 3.478 1.00 0.00 O ATOM 998 CB VAL A 69 -11.423 -4.832 3.508 1.00 0.00 C ATOM 999 CG1 VAL A 69 -11.494 -3.893 4.717 1.00 0.00 C ATOM 1000 CG2 VAL A 69 -9.976 -5.299 3.313 1.00 0.00 C ATOM 0 H VAL A 69 -13.038 -6.378 1.769 1.00 0.00 H new ATOM 0 HA VAL A 69 -11.872 -6.684 4.514 1.00 0.00 H new ATOM 0 HB VAL A 69 -11.761 -4.303 2.617 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -10.855 -3.027 4.544 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -12.522 -3.561 4.860 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -11.156 -4.421 5.608 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -9.335 -4.435 3.141 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -9.641 -5.827 4.206 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -9.922 -5.968 2.454 1.00 0.00 H new ATOM 1010 N ALA A 70 -13.945 -5.746 5.507 1.00 0.00 N ATOM 1011 CA ALA A 70 -15.249 -5.327 6.086 1.00 0.00 C ATOM 1012 C ALA A 70 -15.356 -3.800 6.085 1.00 0.00 C ATOM 1013 O ALA A 70 -14.370 -3.089 6.139 1.00 0.00 O ATOM 1014 CB ALA A 70 -15.349 -5.843 7.523 1.00 0.00 C ATOM 0 H ALA A 70 -13.289 -6.149 6.176 1.00 0.00 H new ATOM 0 HA ALA A 70 -16.059 -5.741 5.486 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -16.303 -5.539 7.953 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -15.280 -6.931 7.525 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -14.535 -5.427 8.116 1.00 0.00 H new ATOM 1020 N ASP A 71 -16.557 -3.299 6.023 1.00 0.00 N ATOM 1021 CA ASP A 71 -16.766 -1.823 6.019 1.00 0.00 C ATOM 1022 C ASP A 71 -16.287 -1.237 7.351 1.00 0.00 C ATOM 1023 O ASP A 71 -15.781 -0.132 7.412 1.00 0.00 O ATOM 1024 CB ASP A 71 -18.264 -1.531 5.835 1.00 0.00 C ATOM 1025 CG ASP A 71 -18.617 -1.541 4.346 1.00 0.00 C ATOM 1026 OD1 ASP A 71 -17.854 -0.988 3.573 1.00 0.00 O ATOM 1027 OD2 ASP A 71 -19.643 -2.108 4.006 1.00 0.00 O ATOM 0 H ASP A 71 -17.412 -3.853 5.974 1.00 0.00 H new ATOM 0 HA ASP A 71 -16.201 -1.371 5.204 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -18.857 -2.278 6.363 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -18.511 -0.562 6.270 1.00 0.00 H new ATOM 1032 N ASN A 72 -16.453 -1.968 8.420 1.00 0.00 N ATOM 1033 CA ASN A 72 -16.024 -1.463 9.758 1.00 0.00 C ATOM 1034 C ASN A 72 -14.614 -1.977 10.069 1.00 0.00 C ATOM 1035 O ASN A 72 -14.163 -1.949 11.198 1.00 0.00 O ATOM 1036 CB ASN A 72 -17.010 -1.963 10.822 1.00 0.00 C ATOM 1037 CG ASN A 72 -16.980 -3.494 10.891 1.00 0.00 C ATOM 1038 OD1 ASN A 72 -16.115 -4.128 10.317 1.00 0.00 O ATOM 1039 ND2 ASN A 72 -17.900 -4.118 11.578 1.00 0.00 N ATOM 0 H ASN A 72 -16.870 -2.899 8.425 1.00 0.00 H new ATOM 0 HA ASN A 72 -16.013 -0.373 9.758 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -16.752 -1.542 11.794 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -18.018 -1.622 10.584 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -17.893 -5.136 11.633 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -18.625 -3.587 12.059 1.00 0.00 H new ATOM 1046 N ALA A 73 -13.918 -2.443 9.067 1.00 0.00 N ATOM 1047 CA ALA A 73 -12.537 -2.962 9.282 1.00 0.00 C ATOM 1048 C ALA A 73 -11.606 -1.821 9.692 1.00 0.00 C ATOM 1049 O ALA A 73 -11.736 -0.698 9.239 1.00 0.00 O ATOM 1050 CB ALA A 73 -12.025 -3.596 7.988 1.00 0.00 C ATOM 0 H ALA A 73 -14.249 -2.487 8.103 1.00 0.00 H new ATOM 0 HA ALA A 73 -12.556 -3.709 10.075 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -11.015 -3.976 8.144 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -12.681 -4.417 7.701 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -12.013 -2.847 7.196 1.00 0.00 H new ATOM 1056 N THR A 74 -10.661 -2.108 10.547 1.00 0.00 N ATOM 1057 CA THR A 74 -9.700 -1.062 11.006 1.00 0.00 C ATOM 1058 C THR A 74 -8.379 -1.224 10.253 1.00 0.00 C ATOM 1059 O THR A 74 -7.444 -0.470 10.448 1.00 0.00 O ATOM 1060 CB THR A 74 -9.455 -1.235 12.510 1.00 0.00 C ATOM 1061 OG1 THR A 74 -8.853 -2.502 12.755 1.00 0.00 O ATOM 1062 CG2 THR A 74 -10.787 -1.150 13.255 1.00 0.00 C ATOM 0 H THR A 74 -10.512 -3.032 10.951 1.00 0.00 H new ATOM 0 HA THR A 74 -10.109 -0.071 10.811 1.00 0.00 H new ATOM 0 HB THR A 74 -8.790 -0.446 12.861 1.00 0.00 H new ATOM 0 HG1 THR A 74 -8.696 -2.609 13.716 1.00 0.00 H new ATOM 0 HG21 THR A 74 -10.614 -1.273 14.324 1.00 0.00 H new ATOM 0 HG22 THR A 74 -11.246 -0.178 13.071 1.00 0.00 H new ATOM 0 HG23 THR A 74 -11.452 -1.938 12.902 1.00 0.00 H new ATOM 1070 N GLU A 75 -8.292 -2.204 9.392 1.00 0.00 N ATOM 1071 CA GLU A 75 -7.030 -2.427 8.620 1.00 0.00 C ATOM 1072 C GLU A 75 -7.363 -2.795 7.181 1.00 0.00 C ATOM 1073 O GLU A 75 -8.462 -3.220 6.874 1.00 0.00 O ATOM 1074 CB GLU A 75 -6.228 -3.561 9.259 1.00 0.00 C ATOM 1075 CG GLU A 75 -5.701 -3.095 10.615 1.00 0.00 C ATOM 1076 CD GLU A 75 -4.961 -4.241 11.309 1.00 0.00 C ATOM 1077 OE1 GLU A 75 -4.816 -5.286 10.699 1.00 0.00 O ATOM 1078 OE2 GLU A 75 -4.551 -4.050 12.443 1.00 0.00 O ATOM 0 H GLU A 75 -9.043 -2.863 9.188 1.00 0.00 H new ATOM 0 HA GLU A 75 -6.440 -1.511 8.633 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -6.856 -4.443 9.382 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.399 -3.848 8.611 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -5.031 -2.246 10.482 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -6.528 -2.754 11.238 1.00 0.00 H new ATOM 1085 N LEU A 76 -6.414 -2.630 6.296 1.00 0.00 N ATOM 1086 CA LEU A 76 -6.643 -2.961 4.860 1.00 0.00 C ATOM 1087 C LEU A 76 -5.593 -3.967 4.399 1.00 0.00 C ATOM 1088 O LEU A 76 -4.405 -3.797 4.622 1.00 0.00 O ATOM 1089 CB LEU A 76 -6.532 -1.691 4.016 1.00 0.00 C ATOM 1090 CG LEU A 76 -7.039 -1.971 2.585 1.00 0.00 C ATOM 1091 CD1 LEU A 76 -8.553 -1.738 2.514 1.00 0.00 C ATOM 1092 CD2 LEU A 76 -6.339 -1.039 1.591 1.00 0.00 C ATOM 0 H LEU A 76 -5.482 -2.277 6.510 1.00 0.00 H new ATOM 0 HA LEU A 76 -7.638 -3.389 4.742 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.116 -0.890 4.469 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -5.496 -1.352 3.985 1.00 0.00 H new ATOM 0 HG LEU A 76 -6.817 -3.007 2.330 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -8.905 -1.937 1.502 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -9.057 -2.407 3.212 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -8.775 -0.704 2.778 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -6.702 -1.243 0.584 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -6.553 -0.002 1.851 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -5.263 -1.208 1.630 1.00 0.00 H new ATOM 1104 N HIS A 77 -6.036 -5.016 3.756 1.00 0.00 N ATOM 1105 CA HIS A 77 -5.105 -6.072 3.260 1.00 0.00 C ATOM 1106 C HIS A 77 -4.967 -5.965 1.745 1.00 0.00 C ATOM 1107 O HIS A 77 -5.943 -5.955 1.015 1.00 0.00 O ATOM 1108 CB HIS A 77 -5.666 -7.445 3.628 1.00 0.00 C ATOM 1109 CG HIS A 77 -5.659 -7.599 5.123 1.00 0.00 C ATOM 1110 ND1 HIS A 77 -4.505 -7.904 5.825 1.00 0.00 N ATOM 1111 CD2 HIS A 77 -6.653 -7.488 6.064 1.00 0.00 C ATOM 1112 CE1 HIS A 77 -4.827 -7.965 7.130 1.00 0.00 C ATOM 1113 NE2 HIS A 77 -6.125 -7.719 7.331 1.00 0.00 N ATOM 0 H HIS A 77 -7.020 -5.188 3.551 1.00 0.00 H new ATOM 0 HA HIS A 77 -4.125 -5.940 3.718 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -6.681 -7.551 3.245 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -5.068 -8.231 3.167 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -7.687 -7.257 5.853 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -4.123 -8.186 7.918 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -6.622 -7.704 8.222 1.00 0.00 H new ATOM 1121 N ALA A 78 -3.756 -5.881 1.269 1.00 0.00 N ATOM 1122 CA ALA A 78 -3.530 -5.768 -0.199 1.00 0.00 C ATOM 1123 C ALA A 78 -2.202 -6.419 -0.570 1.00 0.00 C ATOM 1124 O ALA A 78 -1.332 -6.607 0.260 1.00 0.00 O ATOM 1125 CB ALA A 78 -3.500 -4.294 -0.603 1.00 0.00 C ATOM 0 H ALA A 78 -2.909 -5.886 1.837 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.341 -6.274 -0.723 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -3.334 -4.215 -1.677 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -4.451 -3.827 -0.347 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -2.693 -3.788 -0.073 1.00 0.00 H new ATOM 1131 N ARG A 79 -2.049 -6.765 -1.822 1.00 0.00 N ATOM 1132 CA ARG A 79 -0.788 -7.414 -2.295 1.00 0.00 C ATOM 1133 C ARG A 79 -0.242 -6.647 -3.499 1.00 0.00 C ATOM 1134 O ARG A 79 -0.983 -6.166 -4.336 1.00 0.00 O ATOM 1135 CB ARG A 79 -1.088 -8.858 -2.701 1.00 0.00 C ATOM 1136 CG ARG A 79 -1.448 -9.667 -1.453 1.00 0.00 C ATOM 1137 CD ARG A 79 -1.709 -11.125 -1.835 1.00 0.00 C ATOM 1138 NE ARG A 79 -2.935 -11.218 -2.680 1.00 0.00 N ATOM 1139 CZ ARG A 79 -4.125 -11.078 -2.151 1.00 0.00 C ATOM 1140 NH1 ARG A 79 -4.260 -10.827 -0.876 1.00 0.00 N ATOM 1141 NH2 ARG A 79 -5.182 -11.185 -2.906 1.00 0.00 N ATOM 0 H ARG A 79 -2.753 -6.624 -2.547 1.00 0.00 H new ATOM 0 HA ARG A 79 -0.047 -7.405 -1.495 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -1.911 -8.884 -3.416 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -0.222 -9.297 -3.196 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -0.637 -9.612 -0.727 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -2.332 -9.243 -0.977 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -0.853 -11.527 -2.376 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -1.830 -11.729 -0.936 1.00 0.00 H new ATOM 0 HE ARG A 79 -2.845 -11.393 -3.681 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -3.435 -10.738 -0.283 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -5.191 -10.720 -0.473 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -5.080 -11.377 -3.903 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -6.112 -11.077 -2.500 1.00 0.00 H new ATOM 1155 N PHE A 80 1.058 -6.524 -3.579 1.00 0.00 N ATOM 1156 CA PHE A 80 1.699 -5.782 -4.711 1.00 0.00 C ATOM 1157 C PHE A 80 2.769 -6.655 -5.359 1.00 0.00 C ATOM 1158 O PHE A 80 3.395 -7.476 -4.713 1.00 0.00 O ATOM 1159 CB PHE A 80 2.344 -4.503 -4.175 1.00 0.00 C ATOM 1160 CG PHE A 80 1.274 -3.476 -3.899 1.00 0.00 C ATOM 1161 CD1 PHE A 80 0.475 -3.588 -2.756 1.00 0.00 C ATOM 1162 CD2 PHE A 80 1.077 -2.416 -4.791 1.00 0.00 C ATOM 1163 CE1 PHE A 80 -0.522 -2.637 -2.505 1.00 0.00 C ATOM 1164 CE2 PHE A 80 0.081 -1.466 -4.541 1.00 0.00 C ATOM 1165 CZ PHE A 80 -0.719 -1.576 -3.398 1.00 0.00 C ATOM 0 H PHE A 80 1.713 -6.911 -2.900 1.00 0.00 H new ATOM 0 HA PHE A 80 0.942 -5.530 -5.453 1.00 0.00 H new ATOM 0 HB2 PHE A 80 2.900 -4.718 -3.262 1.00 0.00 H new ATOM 0 HB3 PHE A 80 3.059 -4.113 -4.899 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.627 -4.407 -2.068 1.00 0.00 H new ATOM 0 HD2 PHE A 80 1.694 -2.331 -5.673 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -1.139 -2.722 -1.623 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -0.070 -0.648 -5.230 1.00 0.00 H new ATOM 0 HZ PHE A 80 -1.488 -0.843 -3.205 1.00 0.00 H new ATOM 1175 N LYS A 81 2.981 -6.475 -6.639 1.00 0.00 N ATOM 1176 CA LYS A 81 4.004 -7.280 -7.370 1.00 0.00 C ATOM 1177 C LYS A 81 5.163 -6.380 -7.789 1.00 0.00 C ATOM 1178 O LYS A 81 4.972 -5.297 -8.312 1.00 0.00 O ATOM 1179 CB LYS A 81 3.366 -7.908 -8.610 1.00 0.00 C ATOM 1180 CG LYS A 81 4.300 -8.983 -9.173 1.00 0.00 C ATOM 1181 CD LYS A 81 3.607 -9.716 -10.320 1.00 0.00 C ATOM 1182 CE LYS A 81 4.534 -10.804 -10.863 1.00 0.00 C ATOM 1183 NZ LYS A 81 3.859 -11.520 -11.983 1.00 0.00 N ATOM 0 H LYS A 81 2.482 -5.796 -7.214 1.00 0.00 H new ATOM 0 HA LYS A 81 4.380 -8.068 -6.717 1.00 0.00 H new ATOM 0 HB2 LYS A 81 2.401 -8.346 -8.354 1.00 0.00 H new ATOM 0 HB3 LYS A 81 3.178 -7.143 -9.363 1.00 0.00 H new ATOM 0 HG2 LYS A 81 5.225 -8.527 -9.526 1.00 0.00 H new ATOM 0 HG3 LYS A 81 4.572 -9.689 -8.389 1.00 0.00 H new ATOM 0 HD2 LYS A 81 2.674 -10.159 -9.972 1.00 0.00 H new ATOM 0 HD3 LYS A 81 3.350 -9.013 -11.113 1.00 0.00 H new ATOM 0 HE2 LYS A 81 5.467 -10.361 -11.211 1.00 0.00 H new ATOM 0 HE3 LYS A 81 4.791 -11.507 -10.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 4.490 -12.260 -12.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 2.980 -11.955 -11.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 3.636 -10.845 -12.742 1.00 0.00 H new ATOM 1197 N PHE A 82 6.370 -6.827 -7.555 1.00 0.00 N ATOM 1198 CA PHE A 82 7.571 -6.018 -7.921 1.00 0.00 C ATOM 1199 C PHE A 82 8.633 -6.925 -8.548 1.00 0.00 C ATOM 1200 O PHE A 82 8.366 -7.670 -9.473 1.00 0.00 O ATOM 1201 CB PHE A 82 8.147 -5.367 -6.662 1.00 0.00 C ATOM 1202 CG PHE A 82 7.124 -4.433 -6.067 1.00 0.00 C ATOM 1203 CD1 PHE A 82 6.770 -3.269 -6.752 1.00 0.00 C ATOM 1204 CD2 PHE A 82 6.531 -4.732 -4.835 1.00 0.00 C ATOM 1205 CE1 PHE A 82 5.820 -2.398 -6.208 1.00 0.00 C ATOM 1206 CE2 PHE A 82 5.581 -3.861 -4.289 1.00 0.00 C ATOM 1207 CZ PHE A 82 5.225 -2.694 -4.976 1.00 0.00 C ATOM 0 H PHE A 82 6.577 -7.727 -7.122 1.00 0.00 H new ATOM 0 HA PHE A 82 7.282 -5.248 -8.636 1.00 0.00 H new ATOM 0 HB2 PHE A 82 8.421 -6.133 -5.937 1.00 0.00 H new ATOM 0 HB3 PHE A 82 9.057 -4.819 -6.907 1.00 0.00 H new ATOM 0 HD1 PHE A 82 7.230 -3.041 -7.702 1.00 0.00 H new ATOM 0 HD2 PHE A 82 6.806 -5.633 -4.307 1.00 0.00 H new ATOM 0 HE1 PHE A 82 5.546 -1.498 -6.738 1.00 0.00 H new ATOM 0 HE2 PHE A 82 5.123 -4.089 -3.338 1.00 0.00 H new ATOM 0 HZ PHE A 82 4.491 -2.022 -4.555 1.00 0.00 H new ATOM 1217 N GLU A 83 9.838 -6.860 -8.050 1.00 0.00 N ATOM 1218 CA GLU A 83 10.937 -7.701 -8.599 1.00 0.00 C ATOM 1219 C GLU A 83 11.932 -8.017 -7.482 1.00 0.00 C ATOM 1220 O GLU A 83 12.520 -9.081 -7.444 1.00 0.00 O ATOM 1221 CB GLU A 83 11.651 -6.928 -9.711 1.00 0.00 C ATOM 1222 CG GLU A 83 12.738 -7.808 -10.329 1.00 0.00 C ATOM 1223 CD GLU A 83 13.405 -7.067 -11.489 1.00 0.00 C ATOM 1224 OE1 GLU A 83 12.850 -6.074 -11.930 1.00 0.00 O ATOM 1225 OE2 GLU A 83 14.459 -7.506 -11.917 1.00 0.00 O ATOM 0 H GLU A 83 10.110 -6.252 -7.277 1.00 0.00 H new ATOM 0 HA GLU A 83 10.530 -8.629 -9.000 1.00 0.00 H new ATOM 0 HB2 GLU A 83 10.935 -6.626 -10.475 1.00 0.00 H new ATOM 0 HB3 GLU A 83 12.092 -6.016 -9.309 1.00 0.00 H new ATOM 0 HG2 GLU A 83 13.481 -8.067 -9.575 1.00 0.00 H new ATOM 0 HG3 GLU A 83 12.304 -8.743 -10.684 1.00 0.00 H new ATOM 1232 N VAL A 84 12.129 -7.095 -6.567 1.00 0.00 N ATOM 1233 CA VAL A 84 13.090 -7.333 -5.442 1.00 0.00 C ATOM 1234 C VAL A 84 12.475 -6.888 -4.114 1.00 0.00 C ATOM 1235 O VAL A 84 11.562 -6.086 -4.069 1.00 0.00 O ATOM 1236 CB VAL A 84 14.387 -6.556 -5.692 1.00 0.00 C ATOM 1237 CG1 VAL A 84 15.048 -7.074 -6.968 1.00 0.00 C ATOM 1238 CG2 VAL A 84 14.083 -5.063 -5.844 1.00 0.00 C ATOM 0 H VAL A 84 11.665 -6.187 -6.552 1.00 0.00 H new ATOM 0 HA VAL A 84 13.310 -8.399 -5.391 1.00 0.00 H new ATOM 0 HB VAL A 84 15.059 -6.697 -4.845 1.00 0.00 H new ATOM 0 HG11 VAL A 84 15.971 -6.523 -7.149 1.00 0.00 H new ATOM 0 HG12 VAL A 84 15.274 -8.134 -6.856 1.00 0.00 H new ATOM 0 HG13 VAL A 84 14.371 -6.934 -7.811 1.00 0.00 H new ATOM 0 HG21 VAL A 84 15.011 -4.519 -6.021 1.00 0.00 H new ATOM 0 HG22 VAL A 84 13.408 -4.913 -6.686 1.00 0.00 H new ATOM 0 HG23 VAL A 84 13.614 -4.693 -4.933 1.00 0.00 H new ATOM 1248 N SER A 85 12.985 -7.419 -3.036 1.00 0.00 N ATOM 1249 CA SER A 85 12.466 -7.062 -1.685 1.00 0.00 C ATOM 1250 C SER A 85 12.938 -5.655 -1.302 1.00 0.00 C ATOM 1251 O SER A 85 12.412 -5.036 -0.396 1.00 0.00 O ATOM 1252 CB SER A 85 12.999 -8.073 -0.669 1.00 0.00 C ATOM 1253 OG SER A 85 14.422 -8.020 -0.655 1.00 0.00 O ATOM 0 H SER A 85 13.750 -8.094 -3.035 1.00 0.00 H new ATOM 0 HA SER A 85 11.376 -7.081 -1.694 1.00 0.00 H new ATOM 0 HB2 SER A 85 12.606 -7.851 0.323 1.00 0.00 H new ATOM 0 HB3 SER A 85 12.663 -9.077 -0.928 1.00 0.00 H new ATOM 0 HG SER A 85 14.767 -8.666 -0.003 1.00 0.00 H new ATOM 1259 N ALA A 86 13.931 -5.151 -1.982 1.00 0.00 N ATOM 1260 CA ALA A 86 14.447 -3.788 -1.661 1.00 0.00 C ATOM 1261 C ALA A 86 13.353 -2.752 -1.931 1.00 0.00 C ATOM 1262 O ALA A 86 13.192 -1.792 -1.199 1.00 0.00 O ATOM 1263 CB ALA A 86 15.658 -3.485 -2.549 1.00 0.00 C ATOM 0 H ALA A 86 14.409 -5.625 -2.748 1.00 0.00 H new ATOM 0 HA ALA A 86 14.739 -3.746 -0.612 1.00 0.00 H new ATOM 0 HB1 ALA A 86 16.039 -2.490 -2.318 1.00 0.00 H new ATOM 0 HB2 ALA A 86 16.438 -4.224 -2.365 1.00 0.00 H new ATOM 0 HB3 ALA A 86 15.360 -3.525 -3.597 1.00 0.00 H new ATOM 1269 N GLU A 87 12.598 -2.946 -2.976 1.00 0.00 N ATOM 1270 CA GLU A 87 11.503 -1.990 -3.310 1.00 0.00 C ATOM 1271 C GLU A 87 10.412 -2.082 -2.248 1.00 0.00 C ATOM 1272 O GLU A 87 9.785 -1.102 -1.894 1.00 0.00 O ATOM 1273 CB GLU A 87 10.918 -2.348 -4.677 1.00 0.00 C ATOM 1274 CG GLU A 87 11.951 -2.047 -5.764 1.00 0.00 C ATOM 1275 CD GLU A 87 11.396 -2.448 -7.133 1.00 0.00 C ATOM 1276 OE1 GLU A 87 10.239 -2.824 -7.194 1.00 0.00 O ATOM 1277 OE2 GLU A 87 12.138 -2.362 -8.098 1.00 0.00 O ATOM 0 H GLU A 87 12.693 -3.732 -3.619 1.00 0.00 H new ATOM 0 HA GLU A 87 11.898 -0.974 -3.339 1.00 0.00 H new ATOM 0 HB2 GLU A 87 10.643 -3.402 -4.703 1.00 0.00 H new ATOM 0 HB3 GLU A 87 10.007 -1.777 -4.857 1.00 0.00 H new ATOM 0 HG2 GLU A 87 12.199 -0.986 -5.759 1.00 0.00 H new ATOM 0 HG3 GLU A 87 12.874 -2.591 -5.562 1.00 0.00 H new ATOM 1284 N LYS A 88 10.184 -3.256 -1.734 1.00 0.00 N ATOM 1285 CA LYS A 88 9.137 -3.420 -0.690 1.00 0.00 C ATOM 1286 C LYS A 88 9.511 -2.585 0.532 1.00 0.00 C ATOM 1287 O LYS A 88 8.687 -1.912 1.120 1.00 0.00 O ATOM 1288 CB LYS A 88 9.051 -4.899 -0.285 1.00 0.00 C ATOM 1289 CG LYS A 88 8.129 -5.073 0.933 1.00 0.00 C ATOM 1290 CD LYS A 88 6.760 -4.457 0.642 1.00 0.00 C ATOM 1291 CE LYS A 88 5.745 -4.951 1.670 1.00 0.00 C ATOM 1292 NZ LYS A 88 4.457 -4.235 1.469 1.00 0.00 N ATOM 0 H LYS A 88 10.678 -4.110 -1.992 1.00 0.00 H new ATOM 0 HA LYS A 88 8.174 -3.090 -1.081 1.00 0.00 H new ATOM 0 HB2 LYS A 88 8.674 -5.489 -1.120 1.00 0.00 H new ATOM 0 HB3 LYS A 88 10.047 -5.276 -0.051 1.00 0.00 H new ATOM 0 HG2 LYS A 88 8.019 -6.132 1.168 1.00 0.00 H new ATOM 0 HG3 LYS A 88 8.573 -4.597 1.807 1.00 0.00 H new ATOM 0 HD2 LYS A 88 6.825 -3.369 0.675 1.00 0.00 H new ATOM 0 HD3 LYS A 88 6.435 -4.727 -0.363 1.00 0.00 H new ATOM 0 HE2 LYS A 88 5.597 -6.026 1.565 1.00 0.00 H new ATOM 0 HE3 LYS A 88 6.118 -4.777 2.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 3.684 -4.785 1.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 4.506 -3.300 1.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 4.280 -4.119 0.451 1.00 0.00 H new ATOM 1306 N LEU A 89 10.752 -2.644 0.925 1.00 0.00 N ATOM 1307 CA LEU A 89 11.194 -1.878 2.120 1.00 0.00 C ATOM 1308 C LEU A 89 11.004 -0.379 1.875 1.00 0.00 C ATOM 1309 O LEU A 89 10.427 0.325 2.680 1.00 0.00 O ATOM 1310 CB LEU A 89 12.682 -2.161 2.366 1.00 0.00 C ATOM 1311 CG LEU A 89 13.136 -1.503 3.678 1.00 0.00 C ATOM 1312 CD1 LEU A 89 12.387 -2.130 4.869 1.00 0.00 C ATOM 1313 CD2 LEU A 89 14.649 -1.703 3.853 1.00 0.00 C ATOM 0 H LEU A 89 11.481 -3.192 0.468 1.00 0.00 H new ATOM 0 HA LEU A 89 10.604 -2.179 2.985 1.00 0.00 H new ATOM 0 HB2 LEU A 89 12.853 -3.237 2.412 1.00 0.00 H new ATOM 0 HB3 LEU A 89 13.275 -1.779 1.535 1.00 0.00 H new ATOM 0 HG LEU A 89 12.912 -0.437 3.641 1.00 0.00 H new ATOM 0 HD11 LEU A 89 12.715 -1.657 5.795 1.00 0.00 H new ATOM 0 HD12 LEU A 89 11.315 -1.979 4.745 1.00 0.00 H new ATOM 0 HD13 LEU A 89 12.600 -3.198 4.911 1.00 0.00 H new ATOM 0 HD21 LEU A 89 14.972 -1.237 4.784 1.00 0.00 H new ATOM 0 HD22 LEU A 89 14.874 -2.769 3.884 1.00 0.00 H new ATOM 0 HD23 LEU A 89 15.176 -1.245 3.016 1.00 0.00 H new ATOM 1325 N ILE A 90 11.485 0.107 0.767 1.00 0.00 N ATOM 1326 CA ILE A 90 11.342 1.560 0.448 1.00 0.00 C ATOM 1327 C ILE A 90 9.865 1.901 0.222 1.00 0.00 C ATOM 1328 O ILE A 90 9.372 2.918 0.673 1.00 0.00 O ATOM 1329 CB ILE A 90 12.138 1.883 -0.822 1.00 0.00 C ATOM 1330 CG1 ILE A 90 13.636 1.735 -0.540 1.00 0.00 C ATOM 1331 CG2 ILE A 90 11.839 3.318 -1.262 1.00 0.00 C ATOM 1332 CD1 ILE A 90 14.415 1.775 -1.858 1.00 0.00 C ATOM 0 H ILE A 90 11.976 -0.442 0.061 1.00 0.00 H new ATOM 0 HA ILE A 90 11.724 2.150 1.282 1.00 0.00 H new ATOM 0 HB ILE A 90 11.850 1.193 -1.615 1.00 0.00 H new ATOM 0 HG12 ILE A 90 13.973 2.536 0.117 1.00 0.00 H new ATOM 0 HG13 ILE A 90 13.827 0.796 -0.022 1.00 0.00 H new ATOM 0 HG21 ILE A 90 12.405 3.547 -2.165 1.00 0.00 H new ATOM 0 HG22 ILE A 90 10.773 3.421 -1.466 1.00 0.00 H new ATOM 0 HG23 ILE A 90 12.125 4.009 -0.469 1.00 0.00 H new ATOM 0 HD11 ILE A 90 15.481 1.669 -1.654 1.00 0.00 H new ATOM 0 HD12 ILE A 90 14.086 0.958 -2.500 1.00 0.00 H new ATOM 0 HD13 ILE A 90 14.234 2.726 -2.359 1.00 0.00 H new ATOM 1344 N PHE A 91 9.164 1.062 -0.490 1.00 0.00 N ATOM 1345 CA PHE A 91 7.723 1.331 -0.771 1.00 0.00 C ATOM 1346 C PHE A 91 6.954 1.437 0.545 1.00 0.00 C ATOM 1347 O PHE A 91 6.159 2.336 0.748 1.00 0.00 O ATOM 1348 CB PHE A 91 7.148 0.178 -1.596 1.00 0.00 C ATOM 1349 CG PHE A 91 5.684 0.435 -1.872 1.00 0.00 C ATOM 1350 CD1 PHE A 91 5.310 1.493 -2.708 1.00 0.00 C ATOM 1351 CD2 PHE A 91 4.700 -0.380 -1.294 1.00 0.00 C ATOM 1352 CE1 PHE A 91 3.957 1.739 -2.968 1.00 0.00 C ATOM 1353 CE2 PHE A 91 3.347 -0.134 -1.554 1.00 0.00 C ATOM 1354 CZ PHE A 91 2.975 0.926 -2.390 1.00 0.00 C ATOM 0 H PHE A 91 9.528 0.198 -0.891 1.00 0.00 H new ATOM 0 HA PHE A 91 7.630 2.266 -1.323 1.00 0.00 H new ATOM 0 HB2 PHE A 91 7.694 0.081 -2.534 1.00 0.00 H new ATOM 0 HB3 PHE A 91 7.268 -0.763 -1.059 1.00 0.00 H new ATOM 0 HD1 PHE A 91 6.067 2.121 -3.154 1.00 0.00 H new ATOM 0 HD2 PHE A 91 4.986 -1.197 -0.648 1.00 0.00 H new ATOM 0 HE1 PHE A 91 3.671 2.556 -3.614 1.00 0.00 H new ATOM 0 HE2 PHE A 91 2.589 -0.762 -1.110 1.00 0.00 H new ATOM 0 HZ PHE A 91 1.931 1.116 -2.589 1.00 0.00 H new ATOM 1364 N GLU A 92 7.190 0.520 1.439 1.00 0.00 N ATOM 1365 CA GLU A 92 6.485 0.550 2.751 1.00 0.00 C ATOM 1366 C GLU A 92 6.948 1.772 3.542 1.00 0.00 C ATOM 1367 O GLU A 92 6.171 2.443 4.194 1.00 0.00 O ATOM 1368 CB GLU A 92 6.832 -0.727 3.529 1.00 0.00 C ATOM 1369 CG GLU A 92 5.787 -0.984 4.621 1.00 0.00 C ATOM 1370 CD GLU A 92 5.869 0.111 5.687 1.00 0.00 C ATOM 1371 OE1 GLU A 92 6.961 0.603 5.921 1.00 0.00 O ATOM 1372 OE2 GLU A 92 4.839 0.437 6.252 1.00 0.00 O ATOM 0 H GLU A 92 7.844 -0.253 1.318 1.00 0.00 H new ATOM 0 HA GLU A 92 5.407 0.606 2.596 1.00 0.00 H new ATOM 0 HB2 GLU A 92 6.873 -1.577 2.847 1.00 0.00 H new ATOM 0 HB3 GLU A 92 7.821 -0.631 3.978 1.00 0.00 H new ATOM 0 HG2 GLU A 92 4.789 -1.004 4.184 1.00 0.00 H new ATOM 0 HG3 GLU A 92 5.956 -1.960 5.076 1.00 0.00 H new ATOM 1379 N LEU A 93 8.220 2.051 3.499 1.00 0.00 N ATOM 1380 CA LEU A 93 8.757 3.214 4.255 1.00 0.00 C ATOM 1381 C LEU A 93 8.157 4.510 3.701 1.00 0.00 C ATOM 1382 O LEU A 93 7.701 5.370 4.429 1.00 0.00 O ATOM 1383 CB LEU A 93 10.290 3.244 4.091 1.00 0.00 C ATOM 1384 CG LEU A 93 10.944 3.905 5.313 1.00 0.00 C ATOM 1385 CD1 LEU A 93 10.348 5.301 5.523 1.00 0.00 C ATOM 1386 CD2 LEU A 93 10.713 3.030 6.572 1.00 0.00 C ATOM 0 H LEU A 93 8.913 1.521 2.971 1.00 0.00 H new ATOM 0 HA LEU A 93 8.496 3.124 5.309 1.00 0.00 H new ATOM 0 HB2 LEU A 93 10.670 2.229 3.971 1.00 0.00 H new ATOM 0 HB3 LEU A 93 10.555 3.792 3.187 1.00 0.00 H new ATOM 0 HG LEU A 93 12.017 3.998 5.142 1.00 0.00 H new ATOM 0 HD11 LEU A 93 10.813 5.769 6.391 1.00 0.00 H new ATOM 0 HD12 LEU A 93 10.532 5.912 4.639 1.00 0.00 H new ATOM 0 HD13 LEU A 93 9.274 5.217 5.689 1.00 0.00 H new ATOM 0 HD21 LEU A 93 11.179 3.504 7.435 1.00 0.00 H new ATOM 0 HD22 LEU A 93 9.643 2.924 6.750 1.00 0.00 H new ATOM 0 HD23 LEU A 93 11.154 2.045 6.417 1.00 0.00 H new ATOM 1398 N LYS A 94 8.170 4.653 2.409 1.00 0.00 N ATOM 1399 CA LYS A 94 7.623 5.888 1.787 1.00 0.00 C ATOM 1400 C LYS A 94 6.120 5.976 2.047 1.00 0.00 C ATOM 1401 O LYS A 94 5.593 7.023 2.375 1.00 0.00 O ATOM 1402 CB LYS A 94 7.876 5.845 0.281 1.00 0.00 C ATOM 1403 CG LYS A 94 9.375 5.999 0.003 1.00 0.00 C ATOM 1404 CD LYS A 94 9.648 5.855 -1.501 1.00 0.00 C ATOM 1405 CE LYS A 94 9.241 7.135 -2.240 1.00 0.00 C ATOM 1406 NZ LYS A 94 9.780 7.102 -3.629 1.00 0.00 N ATOM 0 H LYS A 94 8.538 3.964 1.752 1.00 0.00 H new ATOM 0 HA LYS A 94 8.113 6.760 2.220 1.00 0.00 H new ATOM 0 HB2 LYS A 94 7.515 4.903 -0.131 1.00 0.00 H new ATOM 0 HB3 LYS A 94 7.321 6.642 -0.213 1.00 0.00 H new ATOM 0 HG2 LYS A 94 9.720 6.972 0.352 1.00 0.00 H new ATOM 0 HG3 LYS A 94 9.935 5.245 0.556 1.00 0.00 H new ATOM 0 HD2 LYS A 94 10.706 5.651 -1.668 1.00 0.00 H new ATOM 0 HD3 LYS A 94 9.093 5.005 -1.899 1.00 0.00 H new ATOM 0 HE2 LYS A 94 8.155 7.225 -2.262 1.00 0.00 H new ATOM 0 HE3 LYS A 94 9.622 8.009 -1.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 9.503 7.971 -4.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 10.817 7.036 -3.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 9.396 6.276 -4.131 1.00 0.00 H new ATOM 1420 N THR A 95 5.429 4.881 1.897 1.00 0.00 N ATOM 1421 CA THR A 95 3.956 4.880 2.128 1.00 0.00 C ATOM 1422 C THR A 95 3.664 5.075 3.615 1.00 0.00 C ATOM 1423 O THR A 95 2.702 5.716 3.995 1.00 0.00 O ATOM 1424 CB THR A 95 3.377 3.541 1.670 1.00 0.00 C ATOM 1425 OG1 THR A 95 4.072 2.481 2.309 1.00 0.00 O ATOM 1426 CG2 THR A 95 3.514 3.408 0.152 1.00 0.00 C ATOM 0 H THR A 95 5.823 3.981 1.623 1.00 0.00 H new ATOM 0 HA THR A 95 3.501 5.694 1.563 1.00 0.00 H new ATOM 0 HB THR A 95 2.321 3.495 1.937 1.00 0.00 H new ATOM 0 HG1 THR A 95 4.713 2.086 1.682 1.00 0.00 H new ATOM 0 HG21 THR A 95 3.100 2.452 -0.168 1.00 0.00 H new ATOM 0 HG22 THR A 95 2.973 4.219 -0.335 1.00 0.00 H new ATOM 0 HG23 THR A 95 4.567 3.458 -0.124 1.00 0.00 H new ATOM 1434 N ARG A 96 4.492 4.526 4.458 1.00 0.00 N ATOM 1435 CA ARG A 96 4.279 4.674 5.926 1.00 0.00 C ATOM 1436 C ARG A 96 4.424 6.147 6.311 1.00 0.00 C ATOM 1437 O ARG A 96 3.652 6.678 7.085 1.00 0.00 O ATOM 1438 CB ARG A 96 5.327 3.844 6.674 1.00 0.00 C ATOM 1439 CG ARG A 96 5.070 3.923 8.183 1.00 0.00 C ATOM 1440 CD ARG A 96 6.093 3.053 8.924 1.00 0.00 C ATOM 1441 NE ARG A 96 5.730 2.985 10.369 1.00 0.00 N ATOM 1442 CZ ARG A 96 6.561 2.478 11.243 1.00 0.00 C ATOM 1443 NH1 ARG A 96 7.727 2.026 10.863 1.00 0.00 N ATOM 1444 NH2 ARG A 96 6.223 2.421 12.500 1.00 0.00 N ATOM 0 H ARG A 96 5.311 3.979 4.193 1.00 0.00 H new ATOM 0 HA ARG A 96 3.281 4.325 6.191 1.00 0.00 H new ATOM 0 HB2 ARG A 96 5.287 2.806 6.343 1.00 0.00 H new ATOM 0 HB3 ARG A 96 6.327 4.213 6.446 1.00 0.00 H new ATOM 0 HG2 ARG A 96 5.143 4.957 8.521 1.00 0.00 H new ATOM 0 HG3 ARG A 96 4.059 3.585 8.408 1.00 0.00 H new ATOM 0 HD2 ARG A 96 6.113 2.051 8.495 1.00 0.00 H new ATOM 0 HD3 ARG A 96 7.093 3.470 8.808 1.00 0.00 H new ATOM 0 HE ARG A 96 4.824 3.337 10.679 1.00 0.00 H new ATOM 0 HH11 ARG A 96 7.994 2.067 9.879 1.00 0.00 H new ATOM 0 HH12 ARG A 96 8.370 1.632 11.550 1.00 0.00 H new ATOM 0 HH21 ARG A 96 5.313 2.771 12.800 1.00 0.00 H new ATOM 0 HH22 ARG A 96 6.868 2.026 13.184 1.00 0.00 H new ATOM 1458 N ALA A 97 5.412 6.805 5.769 1.00 0.00 N ATOM 1459 CA ALA A 97 5.627 8.247 6.091 1.00 0.00 C ATOM 1460 C ALA A 97 4.413 9.058 5.635 1.00 0.00 C ATOM 1461 O ALA A 97 3.962 9.963 6.313 1.00 0.00 O ATOM 1462 CB ALA A 97 6.871 8.741 5.347 1.00 0.00 C ATOM 0 H ALA A 97 6.083 6.405 5.114 1.00 0.00 H new ATOM 0 HA ALA A 97 5.762 8.368 7.166 1.00 0.00 H new ATOM 0 HB1 ALA A 97 7.037 9.794 5.575 1.00 0.00 H new ATOM 0 HB2 ALA A 97 7.738 8.160 5.662 1.00 0.00 H new ATOM 0 HB3 ALA A 97 6.724 8.621 4.274 1.00 0.00 H new ATOM 1468 N LEU A 98 3.884 8.735 4.489 1.00 0.00 N ATOM 1469 CA LEU A 98 2.694 9.469 3.969 1.00 0.00 C ATOM 1470 C LEU A 98 1.506 9.237 4.901 1.00 0.00 C ATOM 1471 O LEU A 98 0.741 10.135 5.190 1.00 0.00 O ATOM 1472 CB LEU A 98 2.348 8.945 2.571 1.00 0.00 C ATOM 1473 CG LEU A 98 3.437 9.360 1.570 1.00 0.00 C ATOM 1474 CD1 LEU A 98 3.176 8.677 0.221 1.00 0.00 C ATOM 1475 CD2 LEU A 98 3.440 10.891 1.384 1.00 0.00 C ATOM 0 H LEU A 98 4.227 7.988 3.884 1.00 0.00 H new ATOM 0 HA LEU A 98 2.916 10.535 3.919 1.00 0.00 H new ATOM 0 HB2 LEU A 98 2.257 7.859 2.593 1.00 0.00 H new ATOM 0 HB3 LEU A 98 1.382 9.339 2.255 1.00 0.00 H new ATOM 0 HG LEU A 98 4.409 9.053 1.956 1.00 0.00 H new ATOM 0 HD11 LEU A 98 3.948 8.970 -0.491 1.00 0.00 H new ATOM 0 HD12 LEU A 98 3.195 7.595 0.351 1.00 0.00 H new ATOM 0 HD13 LEU A 98 2.200 8.980 -0.157 1.00 0.00 H new ATOM 0 HD21 LEU A 98 4.217 11.169 0.672 1.00 0.00 H new ATOM 0 HD22 LEU A 98 2.470 11.214 1.007 1.00 0.00 H new ATOM 0 HD23 LEU A 98 3.636 11.373 2.342 1.00 0.00 H new ATOM 1487 N ALA A 99 1.354 8.032 5.370 1.00 0.00 N ATOM 1488 CA ALA A 99 0.226 7.710 6.288 1.00 0.00 C ATOM 1489 C ALA A 99 0.612 8.103 7.717 1.00 0.00 C ATOM 1490 O ALA A 99 -0.190 8.043 8.631 1.00 0.00 O ATOM 1491 CB ALA A 99 -0.064 6.210 6.222 1.00 0.00 C ATOM 0 H ALA A 99 1.969 7.247 5.155 1.00 0.00 H new ATOM 0 HA ALA A 99 -0.665 8.262 5.990 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -0.889 5.969 6.892 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -0.333 5.936 5.202 1.00 0.00 H new ATOM 0 HB3 ALA A 99 0.823 5.654 6.525 1.00 0.00 H new ATOM 1497 N ARG A 100 1.840 8.505 7.911 1.00 0.00 N ATOM 1498 CA ARG A 100 2.302 8.914 9.271 1.00 0.00 C ATOM 1499 C ARG A 100 1.956 10.389 9.493 1.00 0.00 C ATOM 1500 O ARG A 100 1.972 10.887 10.602 1.00 0.00 O ATOM 1501 CB ARG A 100 3.820 8.737 9.367 1.00 0.00 C ATOM 1502 CG ARG A 100 4.285 9.062 10.788 1.00 0.00 C ATOM 1503 CD ARG A 100 5.774 8.737 10.933 1.00 0.00 C ATOM 1504 NE ARG A 100 5.978 7.269 10.778 1.00 0.00 N ATOM 1505 CZ ARG A 100 7.185 6.772 10.698 1.00 0.00 C ATOM 1506 NH1 ARG A 100 8.229 7.556 10.766 1.00 0.00 N ATOM 1507 NH2 ARG A 100 7.348 5.487 10.553 1.00 0.00 N ATOM 0 H ARG A 100 2.549 8.568 7.180 1.00 0.00 H new ATOM 0 HA ARG A 100 1.813 8.298 10.025 1.00 0.00 H new ATOM 0 HB2 ARG A 100 4.094 7.714 9.109 1.00 0.00 H new ATOM 0 HB3 ARG A 100 4.319 9.391 8.652 1.00 0.00 H new ATOM 0 HG2 ARG A 100 4.110 10.116 11.006 1.00 0.00 H new ATOM 0 HG3 ARG A 100 3.706 8.487 11.511 1.00 0.00 H new ATOM 0 HD2 ARG A 100 6.350 9.277 10.181 1.00 0.00 H new ATOM 0 HD3 ARG A 100 6.136 9.065 11.908 1.00 0.00 H new ATOM 0 HE ARG A 100 5.170 6.647 10.734 1.00 0.00 H new ATOM 0 HH11 ARG A 100 8.105 8.562 10.882 1.00 0.00 H new ATOM 0 HH12 ARG A 100 9.168 7.162 10.703 1.00 0.00 H new ATOM 0 HH21 ARG A 100 6.536 4.872 10.502 1.00 0.00 H new ATOM 0 HH22 ARG A 100 8.288 5.096 10.490 1.00 0.00 H new ATOM 1521 N LEU A 101 1.653 11.082 8.428 1.00 0.00 N ATOM 1522 CA LEU A 101 1.305 12.531 8.521 1.00 0.00 C ATOM 1523 C LEU A 101 2.468 13.314 9.128 1.00 0.00 C ATOM 1524 O LEU A 101 2.914 13.054 10.232 1.00 0.00 O ATOM 1525 CB LEU A 101 0.029 12.720 9.358 1.00 0.00 C ATOM 1526 CG LEU A 101 -1.204 12.381 8.502 1.00 0.00 C ATOM 1527 CD1 LEU A 101 -1.413 13.444 7.402 1.00 0.00 C ATOM 1528 CD2 LEU A 101 -1.010 11.001 7.859 1.00 0.00 C ATOM 0 H LEU A 101 1.631 10.700 7.483 1.00 0.00 H new ATOM 0 HA LEU A 101 1.117 12.913 7.518 1.00 0.00 H new ATOM 0 HB2 LEU A 101 0.061 12.078 10.238 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -0.035 13.748 9.715 1.00 0.00 H new ATOM 0 HG LEU A 101 -2.086 12.370 9.142 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -2.290 13.186 6.808 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -1.562 14.420 7.863 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -0.535 13.478 6.757 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -1.881 10.757 7.252 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -0.121 11.015 7.229 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -0.890 10.250 8.639 1.00 0.00 H new ATOM 1540 N GLU A 102 2.962 14.276 8.394 1.00 0.00 N ATOM 1541 CA GLU A 102 4.102 15.097 8.883 1.00 0.00 C ATOM 1542 C GLU A 102 3.713 15.813 10.178 1.00 0.00 C ATOM 1543 O GLU A 102 2.654 16.403 10.286 1.00 0.00 O ATOM 1544 CB GLU A 102 4.492 16.121 7.806 1.00 0.00 C ATOM 1545 CG GLU A 102 3.248 16.879 7.328 1.00 0.00 C ATOM 1546 CD GLU A 102 3.632 17.862 6.216 1.00 0.00 C ATOM 1547 OE1 GLU A 102 4.725 18.398 6.275 1.00 0.00 O ATOM 1548 OE2 GLU A 102 2.822 18.062 5.323 1.00 0.00 O ATOM 0 H GLU A 102 2.619 14.528 7.467 1.00 0.00 H new ATOM 0 HA GLU A 102 4.955 14.449 9.087 1.00 0.00 H new ATOM 0 HB2 GLU A 102 5.223 16.822 8.207 1.00 0.00 H new ATOM 0 HB3 GLU A 102 4.965 15.614 6.965 1.00 0.00 H new ATOM 0 HG2 GLU A 102 2.501 16.175 6.961 1.00 0.00 H new ATOM 0 HG3 GLU A 102 2.797 17.417 8.161 1.00 0.00 H new ATOM 1555 N HIS A 103 4.571 15.757 11.163 1.00 0.00 N ATOM 1556 CA HIS A 103 4.283 16.424 12.469 1.00 0.00 C ATOM 1557 C HIS A 103 4.927 17.811 12.485 1.00 0.00 C ATOM 1558 O HIS A 103 4.267 18.824 12.348 1.00 0.00 O ATOM 1559 CB HIS A 103 4.881 15.583 13.601 1.00 0.00 C ATOM 1560 CG HIS A 103 4.623 16.256 14.923 1.00 0.00 C ATOM 1561 ND1 HIS A 103 5.532 17.129 15.504 1.00 0.00 N ATOM 1562 CD2 HIS A 103 3.561 16.193 15.790 1.00 0.00 C ATOM 1563 CE1 HIS A 103 5.002 17.551 16.667 1.00 0.00 C ATOM 1564 NE2 HIS A 103 3.801 17.009 16.889 1.00 0.00 N ATOM 0 H HIS A 103 5.468 15.273 11.118 1.00 0.00 H new ATOM 0 HA HIS A 103 3.205 16.519 12.602 1.00 0.00 H new ATOM 0 HB2 HIS A 103 4.441 14.586 13.598 1.00 0.00 H new ATOM 0 HB3 HIS A 103 5.953 15.459 13.448 1.00 0.00 H new ATOM 0 HD2 HIS A 103 2.672 15.598 15.641 1.00 0.00 H new ATOM 0 HE1 HIS A 103 5.488 18.243 17.339 1.00 0.00 H new ATOM 0 HE2 HIS A 103 3.191 17.161 17.692 1.00 0.00 H new ATOM 1572 N HIS A 104 6.221 17.851 12.655 1.00 0.00 N ATOM 1573 CA HIS A 104 6.954 19.152 12.687 1.00 0.00 C ATOM 1574 C HIS A 104 6.172 20.185 13.501 1.00 0.00 C ATOM 1575 O HIS A 104 5.419 19.852 14.400 1.00 0.00 O ATOM 1576 CB HIS A 104 7.152 19.670 11.256 1.00 0.00 C ATOM 1577 CG HIS A 104 8.235 20.718 11.238 1.00 0.00 C ATOM 1578 ND1 HIS A 104 9.526 20.456 11.671 1.00 0.00 N ATOM 1579 CD2 HIS A 104 8.235 22.032 10.837 1.00 0.00 C ATOM 1580 CE1 HIS A 104 10.242 21.586 11.519 1.00 0.00 C ATOM 1581 NE2 HIS A 104 9.504 22.577 11.016 1.00 0.00 N ATOM 0 H HIS A 104 6.810 17.027 12.775 1.00 0.00 H new ATOM 0 HA HIS A 104 7.925 18.994 13.156 1.00 0.00 H new ATOM 0 HB2 HIS A 104 7.420 18.846 10.595 1.00 0.00 H new ATOM 0 HB3 HIS A 104 6.220 20.091 10.879 1.00 0.00 H new ATOM 0 HD2 HIS A 104 7.381 22.562 10.443 1.00 0.00 H new ATOM 0 HE1 HIS A 104 11.287 21.679 11.774 1.00 0.00 H new ATOM 0 HE2 HIS A 104 9.805 23.529 10.807 1.00 0.00 H new ATOM 1589 N HIS A 105 6.354 21.442 13.194 1.00 0.00 N ATOM 1590 CA HIS A 105 5.642 22.514 13.939 1.00 0.00 C ATOM 1591 C HIS A 105 5.414 23.712 13.019 1.00 0.00 C ATOM 1592 O HIS A 105 5.999 23.820 11.957 1.00 0.00 O ATOM 1593 CB HIS A 105 6.475 22.944 15.147 1.00 0.00 C ATOM 1594 CG HIS A 105 7.849 23.371 14.701 1.00 0.00 C ATOM 1595 ND1 HIS A 105 8.053 24.202 13.609 1.00 0.00 N ATOM 1596 CD2 HIS A 105 9.098 23.102 15.205 1.00 0.00 C ATOM 1597 CE1 HIS A 105 9.380 24.403 13.495 1.00 0.00 C ATOM 1598 NE2 HIS A 105 10.062 23.755 14.443 1.00 0.00 N ATOM 0 H HIS A 105 6.971 21.772 12.452 1.00 0.00 H new ATOM 0 HA HIS A 105 4.680 22.135 14.284 1.00 0.00 H new ATOM 0 HB2 HIS A 105 5.981 23.765 15.666 1.00 0.00 H new ATOM 0 HB3 HIS A 105 6.554 22.120 15.856 1.00 0.00 H new ATOM 0 HD1 HIS A 105 7.330 24.590 13.003 1.00 0.00 H new ATOM 0 HD2 HIS A 105 9.301 22.478 16.063 1.00 0.00 H new ATOM 0 HE1 HIS A 105 9.837 25.014 12.730 1.00 0.00 H new ATOM 1606 N HIS A 106 4.552 24.604 13.421 1.00 0.00 N ATOM 1607 CA HIS A 106 4.251 25.798 12.584 1.00 0.00 C ATOM 1608 C HIS A 106 5.390 26.816 12.674 1.00 0.00 C ATOM 1609 O HIS A 106 5.849 27.170 13.745 1.00 0.00 O ATOM 1610 CB HIS A 106 2.949 26.437 13.072 1.00 0.00 C ATOM 1611 CG HIS A 106 2.730 27.748 12.364 1.00 0.00 C ATOM 1612 ND1 HIS A 106 2.338 27.810 11.038 1.00 0.00 N ATOM 1613 CD2 HIS A 106 2.861 29.049 12.778 1.00 0.00 C ATOM 1614 CE1 HIS A 106 2.248 29.109 10.702 1.00 0.00 C ATOM 1615 NE2 HIS A 106 2.556 29.907 11.726 1.00 0.00 N ATOM 0 H HIS A 106 4.039 24.556 14.301 1.00 0.00 H new ATOM 0 HA HIS A 106 4.145 25.487 11.545 1.00 0.00 H new ATOM 0 HB2 HIS A 106 2.111 25.766 12.883 1.00 0.00 H new ATOM 0 HB3 HIS A 106 2.993 26.597 14.149 1.00 0.00 H new ATOM 0 HD2 HIS A 106 3.156 29.360 13.769 1.00 0.00 H new ATOM 0 HE1 HIS A 106 1.961 29.463 9.723 1.00 0.00 H new ATOM 0 HE2 HIS A 106 2.566 30.927 11.736 1.00 0.00 H new ATOM 1623 N HIS A 107 5.838 27.293 11.543 1.00 0.00 N ATOM 1624 CA HIS A 107 6.940 28.295 11.530 1.00 0.00 C ATOM 1625 C HIS A 107 6.804 29.202 10.305 1.00 0.00 C ATOM 1626 O HIS A 107 6.117 28.885 9.351 1.00 0.00 O ATOM 1627 CB HIS A 107 8.289 27.575 11.479 1.00 0.00 C ATOM 1628 CG HIS A 107 8.362 26.713 10.245 1.00 0.00 C ATOM 1629 ND1 HIS A 107 7.657 25.525 10.128 1.00 0.00 N ATOM 1630 CD2 HIS A 107 9.066 26.847 9.074 1.00 0.00 C ATOM 1631 CE1 HIS A 107 7.950 24.996 8.926 1.00 0.00 C ATOM 1632 NE2 HIS A 107 8.804 25.762 8.242 1.00 0.00 N ATOM 0 H HIS A 107 5.485 27.029 10.623 1.00 0.00 H new ATOM 0 HA HIS A 107 6.882 28.899 12.435 1.00 0.00 H new ATOM 0 HB2 HIS A 107 9.100 28.303 11.473 1.00 0.00 H new ATOM 0 HB3 HIS A 107 8.418 26.961 12.371 1.00 0.00 H new ATOM 0 HD1 HIS A 107 7.030 25.125 10.826 1.00 0.00 H new ATOM 0 HD2 HIS A 107 9.724 27.670 8.835 1.00 0.00 H new ATOM 0 HE1 HIS A 107 7.544 24.065 8.559 1.00 0.00 H new ATOM 1640 N HIS A 108 7.461 30.329 10.334 1.00 0.00 N ATOM 1641 CA HIS A 108 7.396 31.281 9.188 1.00 0.00 C ATOM 1642 C HIS A 108 8.478 32.348 9.360 1.00 0.00 C ATOM 1643 O HIS A 108 9.518 32.026 9.913 1.00 0.00 O ATOM 1644 CB HIS A 108 6.019 31.952 9.153 1.00 0.00 C ATOM 1645 CG HIS A 108 5.793 32.725 10.426 1.00 0.00 C ATOM 1646 ND1 HIS A 108 5.210 32.151 11.546 1.00 0.00 N ATOM 1647 CD2 HIS A 108 6.051 34.031 10.767 1.00 0.00 C ATOM 1648 CE1 HIS A 108 5.135 33.101 12.497 1.00 0.00 C ATOM 1649 NE2 HIS A 108 5.635 34.265 12.074 1.00 0.00 N ATOM 1650 OXT HIS A 108 8.251 33.470 8.939 1.00 0.00 O ATOM 0 H HIS A 108 8.047 30.634 11.111 1.00 0.00 H new ATOM 0 HA HIS A 108 7.556 30.740 8.255 1.00 0.00 H new ATOM 0 HB2 HIS A 108 5.952 32.620 8.295 1.00 0.00 H new ATOM 0 HB3 HIS A 108 5.241 31.199 9.032 1.00 0.00 H new ATOM 0 HD2 HIS A 108 6.507 34.764 10.119 1.00 0.00 H new ATOM 0 HE1 HIS A 108 4.721 32.941 13.482 1.00 0.00 H new ATOM 0 HE2 HIS A 108 5.698 35.138 12.597 1.00 0.00 H new TER 1658 HIS A 108