USER MOD reduce.3.24.130724 H: found=0, std=0, add=702, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 704 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 MET CE :methyl -158:sc= -0.412 (180deg=-1.52!) USER MOD Set 1.2: A 107 LYS NZ :NH3+ 144:sc= 1.64 (180deg=0.837) USER MOD Set 2.1: A 69 CYS SG : rot -120:sc= -6.89! USER MOD Set 2.2: A 74 GLN :FLIP amide:sc= 0.595 F(o=-8.6,f=-6.3) USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 37 CYS SG : rot 35:sc= 0.155 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN :FLIP amide:sc= -2.41! C(o=-3.7!,f=-2.4!) USER MOD Single : A 45 ASN : amide:sc= -1.74 K(o=-1.7,f=-2.3!) USER MOD Single : A 50 ASN : amide:sc= -4.91! C(o=-4.9!,f=-9!) USER MOD Single : A 52 LYS NZ :NH3+ -113:sc=-0.00516 (180deg=-2.11!) USER MOD Single : A 53 LYS NZ :NH3+ 154:sc= 0.747 (180deg=0.355) USER MOD Single : A 60 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 61 CYS SG : rot 47:sc= 0.978 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= -7.96! C(o=-8!,f=-8.9!) USER MOD Single : A 71 GLN : amide:sc= -0.355 X(o=-0.36,f=-0.11) USER MOD Single : A 80 SER OG : rot -66:sc= 1.21 USER MOD Single : A 84 GLN : amide:sc= -5.64! C(o=-5.6!,f=-10!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 160:sc= -0.0645 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= -0.14 X(o=-0.14,f=-0.15) USER MOD Single : A 95 SER OG : rot 180:sc= -0.16 USER MOD Single : A 97 GLN :FLIP amide:sc= -0.888 F(o=-2.5,f=-0.89) USER MOD Single : A 100 SER OG : rot 48:sc= 0.639 USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 GLN :FLIP amide:sc= -0.289 F(o=-1.7!,f=-0.29) USER MOD Single : A 109 ASN : amide:sc= -3.79 K(o=-3.8,f=-10!) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 34 2.875 11.440 -6.401 1.00 0.00 N ATOM 2 CA MET A 34 1.655 11.239 -7.219 1.00 0.00 C ATOM 3 C MET A 34 0.761 10.161 -6.604 1.00 0.00 C ATOM 4 O MET A 34 -0.415 10.393 -6.336 1.00 0.00 O ATOM 5 CB MET A 34 2.029 10.867 -8.667 1.00 0.00 C ATOM 6 CG MET A 34 2.857 9.595 -8.802 1.00 0.00 C ATOM 7 SD MET A 34 3.295 9.214 -10.507 1.00 0.00 S ATOM 8 CE MET A 34 4.006 7.580 -10.312 1.00 0.00 C ATOM 0 HA MET A 34 1.099 12.176 -7.235 1.00 0.00 H new ATOM 0 HB2 MET A 34 1.113 10.752 -9.247 1.00 0.00 H new ATOM 0 HB3 MET A 34 2.584 11.695 -9.109 1.00 0.00 H new ATOM 0 HG2 MET A 34 3.769 9.698 -8.213 1.00 0.00 H new ATOM 0 HG3 MET A 34 2.299 8.759 -8.381 1.00 0.00 H new ATOM 0 HE1 MET A 34 4.327 7.205 -11.284 1.00 0.00 H new ATOM 0 HE2 MET A 34 4.864 7.634 -9.642 1.00 0.00 H new ATOM 0 HE3 MET A 34 3.259 6.906 -9.892 1.00 0.00 H new ATOM 20 N ALA A 35 1.352 9.002 -6.357 1.00 0.00 N ATOM 21 CA ALA A 35 0.648 7.821 -5.882 1.00 0.00 C ATOM 22 C ALA A 35 1.659 6.697 -5.811 1.00 0.00 C ATOM 23 O ALA A 35 1.639 5.765 -6.612 1.00 0.00 O ATOM 24 CB ALA A 35 -0.503 7.445 -6.809 1.00 0.00 C ATOM 0 H ALA A 35 2.353 8.853 -6.484 1.00 0.00 H new ATOM 0 HA ALA A 35 0.210 8.017 -4.903 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -1.006 6.558 -6.423 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.212 8.271 -6.862 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.114 7.237 -7.806 1.00 0.00 H new ATOM 30 N GLU A 36 2.565 6.829 -4.860 1.00 0.00 N ATOM 31 CA GLU A 36 3.760 6.006 -4.805 1.00 0.00 C ATOM 32 C GLU A 36 3.417 4.559 -4.460 1.00 0.00 C ATOM 33 O GLU A 36 3.187 4.224 -3.302 1.00 0.00 O ATOM 34 CB GLU A 36 4.733 6.598 -3.784 1.00 0.00 C ATOM 35 CG GLU A 36 4.909 8.110 -3.910 1.00 0.00 C ATOM 36 CD GLU A 36 5.127 8.580 -5.337 1.00 0.00 C ATOM 37 OE1 GLU A 36 6.257 8.434 -5.850 1.00 0.00 O ATOM 38 OE2 GLU A 36 4.168 9.117 -5.943 1.00 0.00 O ATOM 0 H GLU A 36 2.494 7.510 -4.104 1.00 0.00 H new ATOM 0 HA GLU A 36 4.232 5.999 -5.787 1.00 0.00 H new ATOM 0 HB2 GLU A 36 4.379 6.365 -2.780 1.00 0.00 H new ATOM 0 HB3 GLU A 36 5.704 6.117 -3.899 1.00 0.00 H new ATOM 0 HG2 GLU A 36 4.027 8.605 -3.504 1.00 0.00 H new ATOM 0 HG3 GLU A 36 5.758 8.421 -3.300 1.00 0.00 H new ATOM 45 N CYS A 37 3.371 3.717 -5.481 1.00 0.00 N ATOM 46 CA CYS A 37 2.984 2.325 -5.314 1.00 0.00 C ATOM 47 C CYS A 37 4.183 1.445 -4.973 1.00 0.00 C ATOM 48 O CYS A 37 5.251 1.559 -5.579 1.00 0.00 O ATOM 49 CB CYS A 37 2.300 1.822 -6.589 1.00 0.00 C ATOM 50 SG CYS A 37 3.197 2.210 -8.110 1.00 0.00 S ATOM 0 H CYS A 37 3.599 3.976 -6.441 1.00 0.00 H new ATOM 0 HA CYS A 37 2.286 2.265 -4.479 1.00 0.00 H new ATOM 0 HB2 CYS A 37 2.175 0.741 -6.519 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.302 2.255 -6.648 1.00 0.00 H new ATOM 0 HG CYS A 37 4.476 2.153 -7.886 1.00 0.00 H new ATOM 56 N VAL A 38 3.998 0.577 -3.993 1.00 0.00 N ATOM 57 CA VAL A 38 5.016 -0.386 -3.614 1.00 0.00 C ATOM 58 C VAL A 38 4.393 -1.780 -3.550 1.00 0.00 C ATOM 59 O VAL A 38 3.234 -1.932 -3.160 1.00 0.00 O ATOM 60 CB VAL A 38 5.665 -0.017 -2.256 1.00 0.00 C ATOM 61 CG1 VAL A 38 4.617 0.063 -1.155 1.00 0.00 C ATOM 62 CG2 VAL A 38 6.772 -1.000 -1.895 1.00 0.00 C ATOM 0 H VAL A 38 3.142 0.520 -3.441 1.00 0.00 H new ATOM 0 HA VAL A 38 5.805 -0.374 -4.366 1.00 0.00 H new ATOM 0 HB VAL A 38 6.117 0.970 -2.356 1.00 0.00 H new ATOM 0 HG11 VAL A 38 5.099 0.323 -0.212 1.00 0.00 H new ATOM 0 HG12 VAL A 38 3.880 0.825 -1.409 1.00 0.00 H new ATOM 0 HG13 VAL A 38 4.121 -0.902 -1.054 1.00 0.00 H new ATOM 0 HG21 VAL A 38 7.211 -0.718 -0.938 1.00 0.00 H new ATOM 0 HG22 VAL A 38 6.357 -2.005 -1.822 1.00 0.00 H new ATOM 0 HG23 VAL A 38 7.542 -0.981 -2.667 1.00 0.00 H new ATOM 72 N SER A 39 5.142 -2.791 -3.960 1.00 0.00 N ATOM 73 CA SER A 39 4.625 -4.145 -4.011 1.00 0.00 C ATOM 74 C SER A 39 5.091 -4.948 -2.801 1.00 0.00 C ATOM 75 O SER A 39 6.282 -5.214 -2.638 1.00 0.00 O ATOM 76 CB SER A 39 5.078 -4.819 -5.306 1.00 0.00 C ATOM 77 OG SER A 39 4.753 -4.013 -6.430 1.00 0.00 O ATOM 0 H SER A 39 6.112 -2.697 -4.262 1.00 0.00 H new ATOM 0 HA SER A 39 3.536 -4.107 -3.990 1.00 0.00 H new ATOM 0 HB2 SER A 39 6.154 -4.992 -5.275 1.00 0.00 H new ATOM 0 HB3 SER A 39 4.601 -5.794 -5.401 1.00 0.00 H new ATOM 0 HG SER A 39 5.052 -4.459 -7.250 1.00 0.00 H new ATOM 83 N GLN A 40 4.146 -5.317 -1.948 1.00 0.00 N ATOM 84 CA GLN A 40 4.436 -6.126 -0.772 1.00 0.00 C ATOM 85 C GLN A 40 3.241 -6.989 -0.426 1.00 0.00 C ATOM 86 O GLN A 40 2.122 -6.703 -0.844 1.00 0.00 O ATOM 87 CB GLN A 40 4.800 -5.245 0.416 1.00 0.00 C ATOM 88 CG GLN A 40 6.298 -5.097 0.627 1.00 0.00 C ATOM 89 CD GLN A 40 6.901 -6.229 1.433 1.00 0.00 C ATOM 90 OE1 GLN A 40 6.127 -6.783 2.357 1.00 0.00 O flip ATOM 91 NE2 GLN A 40 8.059 -6.589 1.242 1.00 0.00 N flip ATOM 0 H GLN A 40 3.163 -5.066 -2.050 1.00 0.00 H new ATOM 0 HA GLN A 40 5.288 -6.767 -1.001 1.00 0.00 H new ATOM 0 HB2 GLN A 40 4.362 -4.257 0.273 1.00 0.00 H new ATOM 0 HB3 GLN A 40 4.354 -5.663 1.318 1.00 0.00 H new ATOM 0 HG2 GLN A 40 6.792 -5.047 -0.343 1.00 0.00 H new ATOM 0 HG3 GLN A 40 6.496 -4.153 1.134 1.00 0.00 H new ATOM 0 HE21 GLN A 40 8.621 -6.137 0.521 1.00 0.00 H new ATOM 0 HE22 GLN A 40 8.459 -7.340 1.804 1.00 0.00 H new ATOM 100 N ALA A 41 3.480 -8.050 0.316 1.00 0.00 N ATOM 101 CA ALA A 41 2.425 -8.969 0.693 1.00 0.00 C ATOM 102 C ALA A 41 2.402 -9.175 2.202 1.00 0.00 C ATOM 103 O ALA A 41 3.436 -9.047 2.864 1.00 0.00 O ATOM 104 CB ALA A 41 2.646 -10.276 -0.031 1.00 0.00 C ATOM 0 H ALA A 41 4.403 -8.299 0.673 1.00 0.00 H new ATOM 0 HA ALA A 41 1.457 -8.556 0.410 1.00 0.00 H new ATOM 0 HB1 ALA A 41 1.860 -10.980 0.241 1.00 0.00 H new ATOM 0 HB2 ALA A 41 2.622 -10.104 -1.107 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.615 -10.688 0.249 1.00 0.00 H new ATOM 110 N ILE A 42 1.233 -9.520 2.742 1.00 0.00 N ATOM 111 CA ILE A 42 1.057 -9.638 4.195 1.00 0.00 C ATOM 112 C ILE A 42 -0.066 -10.623 4.513 1.00 0.00 C ATOM 113 O ILE A 42 -0.784 -11.070 3.613 1.00 0.00 O ATOM 114 CB ILE A 42 0.728 -8.286 4.904 1.00 0.00 C ATOM 115 CG1 ILE A 42 -0.787 -8.049 4.968 1.00 0.00 C ATOM 116 CG2 ILE A 42 1.405 -7.109 4.216 1.00 0.00 C ATOM 117 CD1 ILE A 42 -1.171 -6.825 5.763 1.00 0.00 C ATOM 0 H ILE A 42 0.394 -9.723 2.199 1.00 0.00 H new ATOM 0 HA ILE A 42 2.017 -9.988 4.575 1.00 0.00 H new ATOM 0 HB ILE A 42 1.118 -8.359 5.919 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.175 -7.950 3.954 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -1.265 -8.924 5.409 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.151 -6.187 4.739 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.486 -7.250 4.233 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.063 -7.046 3.183 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -2.256 -6.719 5.766 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -0.814 -6.930 6.787 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.721 -5.941 5.310 1.00 0.00 H new ATOM 129 N ASP A 43 -0.218 -10.944 5.793 1.00 0.00 N ATOM 130 CA ASP A 43 -1.312 -11.786 6.261 1.00 0.00 C ATOM 131 C ASP A 43 -2.640 -11.061 6.156 1.00 0.00 C ATOM 132 O ASP A 43 -2.732 -9.891 6.515 1.00 0.00 O ATOM 133 CB ASP A 43 -1.075 -12.158 7.713 1.00 0.00 C ATOM 134 CG ASP A 43 -0.288 -13.440 7.871 1.00 0.00 C ATOM 135 OD1 ASP A 43 -0.914 -14.519 7.935 1.00 0.00 O ATOM 136 OD2 ASP A 43 0.956 -13.374 7.930 1.00 0.00 O ATOM 0 H ASP A 43 0.411 -10.629 6.532 1.00 0.00 H new ATOM 0 HA ASP A 43 -1.346 -12.679 5.637 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -0.542 -11.347 8.208 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -2.036 -12.263 8.217 1.00 0.00 H new ATOM 141 N ILE A 44 -3.682 -11.738 5.684 1.00 0.00 N ATOM 142 CA ILE A 44 -4.982 -11.092 5.586 1.00 0.00 C ATOM 143 C ILE A 44 -5.855 -11.438 6.782 1.00 0.00 C ATOM 144 O ILE A 44 -6.863 -10.791 7.019 1.00 0.00 O ATOM 145 CB ILE A 44 -5.740 -11.466 4.297 1.00 0.00 C ATOM 146 CG1 ILE A 44 -6.594 -12.715 4.484 1.00 0.00 C ATOM 147 CG2 ILE A 44 -4.764 -11.675 3.161 1.00 0.00 C ATOM 148 CD1 ILE A 44 -7.675 -12.847 3.437 1.00 0.00 C ATOM 0 H ILE A 44 -3.654 -12.708 5.371 1.00 0.00 H new ATOM 0 HA ILE A 44 -4.780 -10.021 5.565 1.00 0.00 H new ATOM 0 HB ILE A 44 -6.408 -10.639 4.057 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -5.953 -13.596 4.451 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -7.053 -12.691 5.472 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -5.311 -11.939 2.256 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -4.202 -10.757 2.991 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -4.075 -12.480 3.417 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -8.251 -13.754 3.621 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -8.336 -11.982 3.485 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -7.219 -12.901 2.448 1.00 0.00 H new ATOM 160 N ASN A 45 -5.483 -12.482 7.510 1.00 0.00 N ATOM 161 CA ASN A 45 -6.185 -12.832 8.741 1.00 0.00 C ATOM 162 C ASN A 45 -5.551 -12.040 9.878 1.00 0.00 C ATOM 163 O ASN A 45 -6.060 -11.978 10.997 1.00 0.00 O ATOM 164 CB ASN A 45 -6.029 -14.319 9.080 1.00 0.00 C ATOM 165 CG ASN A 45 -5.862 -15.226 7.877 1.00 0.00 C ATOM 166 OD1 ASN A 45 -6.816 -15.819 7.387 1.00 0.00 O ATOM 167 ND2 ASN A 45 -4.634 -15.339 7.402 1.00 0.00 N ATOM 0 H ASN A 45 -4.705 -13.098 7.274 1.00 0.00 H new ATOM 0 HA ASN A 45 -7.244 -12.609 8.610 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -5.165 -14.441 9.733 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -6.903 -14.643 9.644 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -4.452 -15.938 6.597 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -3.868 -14.827 7.841 1.00 0.00 H new ATOM 174 N GLU A 46 -4.410 -11.447 9.550 1.00 0.00 N ATOM 175 CA GLU A 46 -3.559 -10.746 10.487 1.00 0.00 C ATOM 176 C GLU A 46 -3.584 -9.258 10.102 1.00 0.00 C ATOM 177 O GLU A 46 -3.891 -8.928 8.957 1.00 0.00 O ATOM 178 CB GLU A 46 -2.151 -11.364 10.369 1.00 0.00 C ATOM 179 CG GLU A 46 -1.155 -11.076 11.486 1.00 0.00 C ATOM 180 CD GLU A 46 -1.577 -11.634 12.828 1.00 0.00 C ATOM 181 OE1 GLU A 46 -2.294 -12.652 12.858 1.00 0.00 O ATOM 182 OE2 GLU A 46 -1.171 -11.062 13.861 1.00 0.00 O ATOM 0 H GLU A 46 -4.046 -11.444 8.597 1.00 0.00 H new ATOM 0 HA GLU A 46 -3.887 -10.834 11.523 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -2.265 -12.445 10.292 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -1.712 -11.022 9.432 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -0.186 -11.495 11.215 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -1.022 -9.998 11.575 1.00 0.00 H new ATOM 189 N PRO A 47 -3.284 -8.363 11.047 1.00 0.00 N ATOM 190 CA PRO A 47 -3.379 -6.895 10.903 1.00 0.00 C ATOM 191 C PRO A 47 -2.899 -6.369 9.561 1.00 0.00 C ATOM 192 O PRO A 47 -1.838 -6.745 9.092 1.00 0.00 O ATOM 193 CB PRO A 47 -2.430 -6.398 12.006 1.00 0.00 C ATOM 194 CG PRO A 47 -1.726 -7.625 12.464 1.00 0.00 C ATOM 195 CD PRO A 47 -2.758 -8.684 12.349 1.00 0.00 C ATOM 0 HA PRO A 47 -4.414 -6.559 10.974 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -1.729 -5.656 11.623 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -2.979 -5.927 12.821 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -0.857 -7.843 11.844 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -1.369 -7.523 13.489 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -2.335 -9.688 12.394 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -3.513 -8.620 13.133 1.00 0.00 H new ATOM 203 N ILE A 48 -3.673 -5.478 8.957 1.00 0.00 N ATOM 204 CA ILE A 48 -3.280 -4.876 7.688 1.00 0.00 C ATOM 205 C ILE A 48 -2.327 -3.710 7.921 1.00 0.00 C ATOM 206 O ILE A 48 -1.696 -3.207 6.994 1.00 0.00 O ATOM 207 CB ILE A 48 -4.506 -4.387 6.879 1.00 0.00 C ATOM 208 CG1 ILE A 48 -5.010 -3.031 7.367 1.00 0.00 C ATOM 209 CG2 ILE A 48 -5.622 -5.397 6.957 1.00 0.00 C ATOM 210 CD1 ILE A 48 -4.591 -1.901 6.470 1.00 0.00 C ATOM 0 H ILE A 48 -4.570 -5.157 9.321 1.00 0.00 H new ATOM 0 HA ILE A 48 -2.775 -5.649 7.109 1.00 0.00 H new ATOM 0 HB ILE A 48 -4.183 -4.274 5.844 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -6.098 -3.054 7.432 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -4.634 -2.849 8.374 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -6.477 -5.039 6.383 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -5.282 -6.348 6.546 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -5.915 -5.535 7.998 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -4.977 -0.961 6.865 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.503 -1.856 6.425 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -4.989 -2.065 5.469 1.00 0.00 H new ATOM 222 N GLY A 49 -2.220 -3.285 9.168 1.00 0.00 N ATOM 223 CA GLY A 49 -1.425 -2.120 9.471 1.00 0.00 C ATOM 224 C GLY A 49 0.046 -2.415 9.573 1.00 0.00 C ATOM 225 O GLY A 49 0.838 -1.514 9.854 1.00 0.00 O ATOM 0 H GLY A 49 -2.668 -3.725 9.972 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.585 -1.368 8.698 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -1.768 -1.689 10.411 1.00 0.00 H new ATOM 229 N ASN A 50 0.438 -3.659 9.324 1.00 0.00 N ATOM 230 CA ASN A 50 1.846 -3.999 9.373 1.00 0.00 C ATOM 231 C ASN A 50 2.543 -3.494 8.118 1.00 0.00 C ATOM 232 O ASN A 50 3.754 -3.646 7.964 1.00 0.00 O ATOM 233 CB ASN A 50 2.086 -5.512 9.541 1.00 0.00 C ATOM 234 CG ASN A 50 1.702 -6.340 8.329 1.00 0.00 C ATOM 235 OD1 ASN A 50 2.413 -6.373 7.330 1.00 0.00 O ATOM 236 ND2 ASN A 50 0.611 -7.067 8.434 1.00 0.00 N ATOM 0 H ASN A 50 -0.187 -4.431 9.091 1.00 0.00 H new ATOM 0 HA ASN A 50 2.266 -3.511 10.253 1.00 0.00 H new ATOM 0 HB2 ASN A 50 3.140 -5.679 9.762 1.00 0.00 H new ATOM 0 HB3 ASN A 50 1.520 -5.865 10.403 1.00 0.00 H new ATOM 0 HD21 ASN A 50 0.333 -7.683 7.670 1.00 0.00 H new ATOM 0 HD22 ASN A 50 0.043 -7.015 9.280 1.00 0.00 H new ATOM 243 N LEU A 51 1.771 -2.873 7.226 1.00 0.00 N ATOM 244 CA LEU A 51 2.325 -2.247 6.032 1.00 0.00 C ATOM 245 C LEU A 51 3.289 -1.134 6.412 1.00 0.00 C ATOM 246 O LEU A 51 4.188 -0.792 5.651 1.00 0.00 O ATOM 247 CB LEU A 51 1.216 -1.699 5.127 1.00 0.00 C ATOM 248 CG LEU A 51 0.687 -2.677 4.071 1.00 0.00 C ATOM 249 CD1 LEU A 51 0.235 -3.973 4.705 1.00 0.00 C ATOM 250 CD2 LEU A 51 -0.456 -2.053 3.293 1.00 0.00 C ATOM 0 H LEU A 51 0.758 -2.792 7.311 1.00 0.00 H new ATOM 0 HA LEU A 51 2.869 -3.012 5.478 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.383 -1.381 5.754 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.590 -0.810 4.620 1.00 0.00 H new ATOM 0 HG LEU A 51 1.504 -2.899 3.384 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.135 -4.647 3.932 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.075 -4.438 5.220 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.562 -3.770 5.421 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.819 -2.761 2.548 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.266 -1.799 3.977 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.106 -1.149 2.794 1.00 0.00 H new ATOM 262 N LYS A 52 3.124 -0.594 7.610 1.00 0.00 N ATOM 263 CA LYS A 52 4.050 0.408 8.103 1.00 0.00 C ATOM 264 C LYS A 52 5.397 -0.244 8.388 1.00 0.00 C ATOM 265 O LYS A 52 6.440 0.377 8.263 1.00 0.00 O ATOM 266 CB LYS A 52 3.542 1.074 9.386 1.00 0.00 C ATOM 267 CG LYS A 52 2.330 1.982 9.219 1.00 0.00 C ATOM 268 CD LYS A 52 2.084 2.759 10.506 1.00 0.00 C ATOM 269 CE LYS A 52 0.875 3.672 10.403 1.00 0.00 C ATOM 270 NZ LYS A 52 -0.379 2.907 10.206 1.00 0.00 N ATOM 0 H LYS A 52 2.366 -0.831 8.251 1.00 0.00 H new ATOM 0 HA LYS A 52 4.146 1.175 7.335 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.293 0.294 10.105 1.00 0.00 H new ATOM 0 HB3 LYS A 52 4.355 1.658 9.818 1.00 0.00 H new ATOM 0 HG2 LYS A 52 2.493 2.673 8.392 1.00 0.00 H new ATOM 0 HG3 LYS A 52 1.451 1.388 8.969 1.00 0.00 H new ATOM 0 HD2 LYS A 52 1.939 2.059 11.329 1.00 0.00 H new ATOM 0 HD3 LYS A 52 2.966 3.353 10.744 1.00 0.00 H new ATOM 0 HE2 LYS A 52 0.795 4.273 11.309 1.00 0.00 H new ATOM 0 HE3 LYS A 52 1.012 4.364 9.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -0.760 3.102 9.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -0.183 1.890 10.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -1.076 3.191 10.924 1.00 0.00 H new ATOM 284 N LYS A 53 5.358 -1.511 8.780 1.00 0.00 N ATOM 285 CA LYS A 53 6.563 -2.225 9.183 1.00 0.00 C ATOM 286 C LYS A 53 7.214 -2.932 7.993 1.00 0.00 C ATOM 287 O LYS A 53 8.435 -3.003 7.895 1.00 0.00 O ATOM 288 CB LYS A 53 6.233 -3.244 10.277 1.00 0.00 C ATOM 289 CG LYS A 53 5.199 -2.755 11.282 1.00 0.00 C ATOM 290 CD LYS A 53 5.599 -1.445 11.960 1.00 0.00 C ATOM 291 CE LYS A 53 6.702 -1.640 12.989 1.00 0.00 C ATOM 292 NZ LYS A 53 8.070 -1.508 12.410 1.00 0.00 N ATOM 0 H LYS A 53 4.504 -2.066 8.828 1.00 0.00 H new ATOM 0 HA LYS A 53 7.270 -1.493 9.573 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.868 -4.159 9.810 1.00 0.00 H new ATOM 0 HB3 LYS A 53 7.149 -3.502 10.809 1.00 0.00 H new ATOM 0 HG2 LYS A 53 4.244 -2.619 10.775 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.049 -3.521 12.043 1.00 0.00 H new ATOM 0 HD2 LYS A 53 5.932 -0.734 11.204 1.00 0.00 H new ATOM 0 HD3 LYS A 53 4.726 -1.008 12.445 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.580 -0.908 13.788 1.00 0.00 H new ATOM 0 HE3 LYS A 53 6.599 -2.626 13.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 8.734 -1.212 13.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 8.372 -2.424 12.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 8.059 -0.796 11.652 1.00 0.00 H new ATOM 306 N LEU A 54 6.392 -3.462 7.093 1.00 0.00 N ATOM 307 CA LEU A 54 6.896 -4.213 5.945 1.00 0.00 C ATOM 308 C LEU A 54 7.330 -3.284 4.817 1.00 0.00 C ATOM 309 O LEU A 54 8.211 -3.621 4.029 1.00 0.00 O ATOM 310 CB LEU A 54 5.843 -5.204 5.436 1.00 0.00 C ATOM 311 CG LEU A 54 5.843 -6.582 6.114 1.00 0.00 C ATOM 312 CD1 LEU A 54 5.558 -6.468 7.603 1.00 0.00 C ATOM 313 CD2 LEU A 54 4.821 -7.491 5.456 1.00 0.00 C ATOM 0 H LEU A 54 5.376 -3.386 7.135 1.00 0.00 H new ATOM 0 HA LEU A 54 7.770 -4.771 6.280 1.00 0.00 H new ATOM 0 HB2 LEU A 54 4.857 -4.756 5.564 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.992 -5.346 4.366 1.00 0.00 H new ATOM 0 HG LEU A 54 6.837 -7.013 5.993 1.00 0.00 H new ATOM 0 HD11 LEU A 54 5.565 -7.461 8.052 1.00 0.00 H new ATOM 0 HD12 LEU A 54 6.324 -5.851 8.074 1.00 0.00 H new ATOM 0 HD13 LEU A 54 4.580 -6.010 7.752 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.831 -8.465 5.946 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.829 -7.049 5.547 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.068 -7.613 4.401 1.00 0.00 H new ATOM 325 N LEU A 55 6.717 -2.115 4.738 1.00 0.00 N ATOM 326 CA LEU A 55 7.098 -1.137 3.728 1.00 0.00 C ATOM 327 C LEU A 55 8.083 -0.142 4.317 1.00 0.00 C ATOM 328 O LEU A 55 8.645 0.690 3.603 1.00 0.00 O ATOM 329 CB LEU A 55 5.870 -0.431 3.149 1.00 0.00 C ATOM 330 CG LEU A 55 5.037 -1.285 2.187 1.00 0.00 C ATOM 331 CD1 LEU A 55 5.948 -2.006 1.216 1.00 0.00 C ATOM 332 CD2 LEU A 55 4.168 -2.285 2.931 1.00 0.00 C ATOM 0 H LEU A 55 5.960 -1.820 5.354 1.00 0.00 H new ATOM 0 HA LEU A 55 7.585 -1.659 2.904 1.00 0.00 H new ATOM 0 HB2 LEU A 55 5.232 -0.107 3.971 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.197 0.468 2.626 1.00 0.00 H new ATOM 0 HG LEU A 55 4.374 -0.618 1.636 1.00 0.00 H new ATOM 0 HD11 LEU A 55 5.349 -2.611 0.536 1.00 0.00 H new ATOM 0 HD12 LEU A 55 6.521 -1.276 0.644 1.00 0.00 H new ATOM 0 HD13 LEU A 55 6.631 -2.651 1.769 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.593 -2.871 2.214 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.801 -2.950 3.519 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.486 -1.752 3.594 1.00 0.00 H new ATOM 344 N GLU A 56 8.276 -0.250 5.628 1.00 0.00 N ATOM 345 CA GLU A 56 9.300 0.499 6.347 1.00 0.00 C ATOM 346 C GLU A 56 10.656 0.411 5.626 1.00 0.00 C ATOM 347 O GLU A 56 11.250 1.440 5.302 1.00 0.00 O ATOM 348 CB GLU A 56 9.387 -0.041 7.782 1.00 0.00 C ATOM 349 CG GLU A 56 10.062 0.874 8.781 1.00 0.00 C ATOM 350 CD GLU A 56 9.959 0.327 10.191 1.00 0.00 C ATOM 351 OE1 GLU A 56 10.851 -0.445 10.602 1.00 0.00 O ATOM 352 OE2 GLU A 56 8.979 0.655 10.895 1.00 0.00 O ATOM 0 H GLU A 56 7.722 -0.864 6.225 1.00 0.00 H new ATOM 0 HA GLU A 56 9.030 1.555 6.378 1.00 0.00 H new ATOM 0 HB2 GLU A 56 8.377 -0.253 8.134 1.00 0.00 H new ATOM 0 HB3 GLU A 56 9.924 -0.989 7.763 1.00 0.00 H new ATOM 0 HG2 GLU A 56 11.111 0.997 8.513 1.00 0.00 H new ATOM 0 HG3 GLU A 56 9.604 1.862 8.738 1.00 0.00 H new ATOM 359 N PRO A 57 11.165 -0.813 5.343 1.00 0.00 N ATOM 360 CA PRO A 57 12.412 -0.979 4.591 1.00 0.00 C ATOM 361 C PRO A 57 12.261 -0.616 3.116 1.00 0.00 C ATOM 362 O PRO A 57 13.136 0.019 2.531 1.00 0.00 O ATOM 363 CB PRO A 57 12.726 -2.469 4.724 1.00 0.00 C ATOM 364 CG PRO A 57 11.431 -3.126 5.039 1.00 0.00 C ATOM 365 CD PRO A 57 10.594 -2.110 5.755 1.00 0.00 C ATOM 0 HA PRO A 57 13.194 -0.324 4.976 1.00 0.00 H new ATOM 0 HB2 PRO A 57 13.151 -2.864 3.801 1.00 0.00 H new ATOM 0 HB3 PRO A 57 13.457 -2.646 5.513 1.00 0.00 H new ATOM 0 HG2 PRO A 57 10.936 -3.462 4.128 1.00 0.00 H new ATOM 0 HG3 PRO A 57 11.586 -4.007 5.661 1.00 0.00 H new ATOM 0 HD2 PRO A 57 9.544 -2.190 5.474 1.00 0.00 H new ATOM 0 HD3 PRO A 57 10.645 -2.242 6.836 1.00 0.00 H new ATOM 373 N ARG A 58 11.135 -1.021 2.530 1.00 0.00 N ATOM 374 CA ARG A 58 10.884 -0.843 1.102 1.00 0.00 C ATOM 375 C ARG A 58 10.932 0.619 0.683 1.00 0.00 C ATOM 376 O ARG A 58 11.533 0.959 -0.332 1.00 0.00 O ATOM 377 CB ARG A 58 9.519 -1.421 0.727 1.00 0.00 C ATOM 378 CG ARG A 58 9.524 -2.889 0.307 1.00 0.00 C ATOM 379 CD ARG A 58 9.966 -3.832 1.419 1.00 0.00 C ATOM 380 NE ARG A 58 11.418 -3.936 1.526 1.00 0.00 N ATOM 381 CZ ARG A 58 12.051 -4.962 2.092 1.00 0.00 C ATOM 382 NH1 ARG A 58 11.365 -5.980 2.594 1.00 0.00 N ATOM 383 NH2 ARG A 58 13.373 -4.962 2.146 1.00 0.00 N ATOM 0 H ARG A 58 10.374 -1.480 3.030 1.00 0.00 H new ATOM 0 HA ARG A 58 11.678 -1.374 0.576 1.00 0.00 H new ATOM 0 HB2 ARG A 58 8.848 -1.306 1.578 1.00 0.00 H new ATOM 0 HB3 ARG A 58 9.104 -0.829 -0.088 1.00 0.00 H new ATOM 0 HG2 ARG A 58 8.523 -3.169 -0.021 1.00 0.00 H new ATOM 0 HG3 ARG A 58 10.187 -3.012 -0.550 1.00 0.00 H new ATOM 0 HD2 ARG A 58 9.560 -3.483 2.368 1.00 0.00 H new ATOM 0 HD3 ARG A 58 9.547 -4.822 1.238 1.00 0.00 H new ATOM 0 HE ARG A 58 11.982 -3.177 1.144 1.00 0.00 H new ATOM 0 HH11 ARG A 58 10.346 -5.980 2.548 1.00 0.00 H new ATOM 0 HH12 ARG A 58 11.856 -6.762 3.026 1.00 0.00 H new ATOM 0 HH21 ARG A 58 13.899 -4.180 1.756 1.00 0.00 H new ATOM 0 HH22 ARG A 58 13.866 -5.744 2.578 1.00 0.00 H new ATOM 397 N LEU A 59 10.306 1.480 1.467 1.00 0.00 N ATOM 398 CA LEU A 59 10.209 2.885 1.109 1.00 0.00 C ATOM 399 C LEU A 59 11.295 3.706 1.789 1.00 0.00 C ATOM 400 O LEU A 59 11.524 4.863 1.433 1.00 0.00 O ATOM 401 CB LEU A 59 8.830 3.435 1.487 1.00 0.00 C ATOM 402 CG LEU A 59 7.641 2.729 0.830 1.00 0.00 C ATOM 403 CD1 LEU A 59 6.329 3.272 1.380 1.00 0.00 C ATOM 404 CD2 LEU A 59 7.695 2.892 -0.684 1.00 0.00 C ATOM 0 H LEU A 59 9.860 1.233 2.350 1.00 0.00 H new ATOM 0 HA LEU A 59 10.346 2.963 0.031 1.00 0.00 H new ATOM 0 HB2 LEU A 59 8.716 3.372 2.569 1.00 0.00 H new ATOM 0 HB3 LEU A 59 8.794 4.492 1.224 1.00 0.00 H new ATOM 0 HG LEU A 59 7.698 1.666 1.064 1.00 0.00 H new ATOM 0 HD11 LEU A 59 5.494 2.759 0.902 1.00 0.00 H new ATOM 0 HD12 LEU A 59 6.289 3.105 2.456 1.00 0.00 H new ATOM 0 HD13 LEU A 59 6.263 4.341 1.176 1.00 0.00 H new ATOM 0 HD21 LEU A 59 6.843 2.384 -1.135 1.00 0.00 H new ATOM 0 HD22 LEU A 59 7.662 3.952 -0.937 1.00 0.00 H new ATOM 0 HD23 LEU A 59 8.619 2.457 -1.064 1.00 0.00 H new ATOM 416 N GLN A 60 11.963 3.089 2.770 1.00 0.00 N ATOM 417 CA GLN A 60 12.963 3.772 3.594 1.00 0.00 C ATOM 418 C GLN A 60 12.343 4.984 4.274 1.00 0.00 C ATOM 419 O GLN A 60 13.006 5.981 4.557 1.00 0.00 O ATOM 420 CB GLN A 60 14.169 4.184 2.755 1.00 0.00 C ATOM 421 CG GLN A 60 14.902 3.006 2.137 1.00 0.00 C ATOM 422 CD GLN A 60 16.136 3.432 1.369 1.00 0.00 C ATOM 423 OE1 GLN A 60 16.766 4.436 1.697 1.00 0.00 O ATOM 424 NE2 GLN A 60 16.491 2.673 0.343 1.00 0.00 N ATOM 0 H GLN A 60 11.826 2.108 3.013 1.00 0.00 H new ATOM 0 HA GLN A 60 13.309 3.080 4.362 1.00 0.00 H new ATOM 0 HB2 GLN A 60 13.839 4.854 1.961 1.00 0.00 H new ATOM 0 HB3 GLN A 60 14.862 4.747 3.380 1.00 0.00 H new ATOM 0 HG2 GLN A 60 15.190 2.308 2.923 1.00 0.00 H new ATOM 0 HG3 GLN A 60 14.227 2.472 1.468 1.00 0.00 H new ATOM 0 HE21 GLN A 60 15.941 1.848 0.104 1.00 0.00 H new ATOM 0 HE22 GLN A 60 17.315 2.913 -0.208 1.00 0.00 H new ATOM 433 N CYS A 61 11.059 4.862 4.537 1.00 0.00 N ATOM 434 CA CYS A 61 10.281 5.946 5.106 1.00 0.00 C ATOM 435 C CYS A 61 9.768 5.573 6.482 1.00 0.00 C ATOM 436 O CYS A 61 9.742 4.397 6.844 1.00 0.00 O ATOM 437 CB CYS A 61 9.105 6.282 4.190 1.00 0.00 C ATOM 438 SG CYS A 61 9.594 6.841 2.545 1.00 0.00 S ATOM 0 H CYS A 61 10.524 4.011 4.363 1.00 0.00 H new ATOM 0 HA CYS A 61 10.926 6.819 5.200 1.00 0.00 H new ATOM 0 HB2 CYS A 61 8.472 5.400 4.090 1.00 0.00 H new ATOM 0 HB3 CYS A 61 8.500 7.057 4.661 1.00 0.00 H new ATOM 0 HG CYS A 61 10.503 6.043 2.068 1.00 0.00 H new ATOM 444 N SER A 62 9.396 6.579 7.255 1.00 0.00 N ATOM 445 CA SER A 62 8.692 6.362 8.503 1.00 0.00 C ATOM 446 C SER A 62 7.198 6.406 8.225 1.00 0.00 C ATOM 447 O SER A 62 6.665 7.439 7.822 1.00 0.00 O ATOM 448 CB SER A 62 9.095 7.421 9.529 1.00 0.00 C ATOM 449 OG SER A 62 10.500 7.407 9.732 1.00 0.00 O ATOM 0 H SER A 62 9.572 7.560 7.036 1.00 0.00 H new ATOM 0 HA SER A 62 8.952 5.389 8.919 1.00 0.00 H new ATOM 0 HB2 SER A 62 8.781 8.407 9.186 1.00 0.00 H new ATOM 0 HB3 SER A 62 8.583 7.234 10.473 1.00 0.00 H new ATOM 0 HG SER A 62 10.742 8.092 10.390 1.00 0.00 H new ATOM 455 N LEU A 63 6.535 5.281 8.436 1.00 0.00 N ATOM 456 CA LEU A 63 5.149 5.122 8.004 1.00 0.00 C ATOM 457 C LEU A 63 4.185 5.506 9.119 1.00 0.00 C ATOM 458 O LEU A 63 2.984 5.305 9.003 1.00 0.00 O ATOM 459 CB LEU A 63 4.855 3.681 7.548 1.00 0.00 C ATOM 460 CG LEU A 63 5.604 3.164 6.309 1.00 0.00 C ATOM 461 CD1 LEU A 63 5.522 4.139 5.156 1.00 0.00 C ATOM 462 CD2 LEU A 63 7.043 2.854 6.641 1.00 0.00 C ATOM 0 H LEU A 63 6.930 4.464 8.902 1.00 0.00 H new ATOM 0 HA LEU A 63 5.004 5.789 7.155 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.078 3.013 8.380 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.786 3.601 7.353 1.00 0.00 H new ATOM 0 HG LEU A 63 5.114 2.242 5.996 1.00 0.00 H new ATOM 0 HD11 LEU A 63 6.064 3.737 4.300 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.478 4.294 4.884 1.00 0.00 H new ATOM 0 HD13 LEU A 63 5.965 5.090 5.451 1.00 0.00 H new ATOM 0 HD21 LEU A 63 7.552 2.490 5.749 1.00 0.00 H new ATOM 0 HD22 LEU A 63 7.537 3.758 6.997 1.00 0.00 H new ATOM 0 HD23 LEU A 63 7.081 2.090 7.417 1.00 0.00 H new ATOM 474 N ASP A 64 4.714 6.095 10.184 1.00 0.00 N ATOM 475 CA ASP A 64 3.920 6.392 11.375 1.00 0.00 C ATOM 476 C ASP A 64 3.052 7.634 11.181 1.00 0.00 C ATOM 477 O ASP A 64 2.284 8.010 12.065 1.00 0.00 O ATOM 478 CB ASP A 64 4.834 6.569 12.588 1.00 0.00 C ATOM 479 CG ASP A 64 5.744 7.775 12.476 1.00 0.00 C ATOM 480 OD1 ASP A 64 6.591 7.808 11.558 1.00 0.00 O ATOM 481 OD2 ASP A 64 5.628 8.692 13.314 1.00 0.00 O ATOM 0 H ASP A 64 5.692 6.378 10.250 1.00 0.00 H new ATOM 0 HA ASP A 64 3.253 5.547 11.548 1.00 0.00 H new ATOM 0 HB2 ASP A 64 4.222 6.665 13.485 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.442 5.673 12.711 1.00 0.00 H new ATOM 486 N ALA A 65 3.170 8.262 10.024 1.00 0.00 N ATOM 487 CA ALA A 65 2.340 9.410 9.697 1.00 0.00 C ATOM 488 C ALA A 65 1.157 8.960 8.853 1.00 0.00 C ATOM 489 O ALA A 65 -0.002 9.208 9.184 1.00 0.00 O ATOM 490 CB ALA A 65 3.153 10.464 8.964 1.00 0.00 C ATOM 0 H ALA A 65 3.832 7.997 9.295 1.00 0.00 H new ATOM 0 HA ALA A 65 1.967 9.855 10.620 1.00 0.00 H new ATOM 0 HB1 ALA A 65 2.515 11.316 8.727 1.00 0.00 H new ATOM 0 HB2 ALA A 65 3.977 10.793 9.597 1.00 0.00 H new ATOM 0 HB3 ALA A 65 3.550 10.041 8.041 1.00 0.00 H new ATOM 496 N HIS A 66 1.481 8.256 7.784 1.00 0.00 N ATOM 497 CA HIS A 66 0.495 7.738 6.854 1.00 0.00 C ATOM 498 C HIS A 66 -0.218 6.482 7.339 1.00 0.00 C ATOM 499 O HIS A 66 0.387 5.475 7.710 1.00 0.00 O ATOM 500 CB HIS A 66 1.047 7.581 5.416 1.00 0.00 C ATOM 501 CG HIS A 66 2.529 7.338 5.238 1.00 0.00 C ATOM 502 ND1 HIS A 66 3.445 7.530 6.244 1.00 0.00 N ATOM 503 CD2 HIS A 66 3.199 7.042 4.098 1.00 0.00 C ATOM 504 CE1 HIS A 66 4.628 7.365 5.693 1.00 0.00 C ATOM 505 NE2 HIS A 66 4.534 7.069 4.394 1.00 0.00 N ATOM 0 H HIS A 66 2.443 8.026 7.535 1.00 0.00 H new ATOM 0 HA HIS A 66 -0.275 8.509 6.813 1.00 0.00 H new ATOM 0 HB2 HIS A 66 0.516 6.754 4.945 1.00 0.00 H new ATOM 0 HB3 HIS A 66 0.789 8.483 4.861 1.00 0.00 H new ATOM 0 HD2 HIS A 66 2.761 6.825 3.135 1.00 0.00 H new ATOM 0 HE1 HIS A 66 5.562 7.458 6.227 1.00 0.00 H new ATOM 0 HE2 HIS A 66 5.306 6.897 3.750 1.00 0.00 H new ATOM 513 N GLU A 67 -1.540 6.592 7.323 1.00 0.00 N ATOM 514 CA GLU A 67 -2.443 5.534 7.748 1.00 0.00 C ATOM 515 C GLU A 67 -2.698 4.578 6.594 1.00 0.00 C ATOM 516 O GLU A 67 -2.526 4.940 5.438 1.00 0.00 O ATOM 517 CB GLU A 67 -3.761 6.151 8.233 1.00 0.00 C ATOM 518 CG GLU A 67 -4.453 7.038 7.204 1.00 0.00 C ATOM 519 CD GLU A 67 -5.492 7.943 7.830 1.00 0.00 C ATOM 520 OE1 GLU A 67 -5.123 9.052 8.277 1.00 0.00 O ATOM 521 OE2 GLU A 67 -6.676 7.557 7.883 1.00 0.00 O ATOM 0 H GLU A 67 -2.022 7.434 7.009 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.990 4.976 8.568 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -4.441 5.349 8.520 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -3.565 6.739 9.130 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.707 7.645 6.691 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -4.928 6.412 6.449 1.00 0.00 H new ATOM 528 N ILE A 68 -3.113 3.360 6.900 1.00 0.00 N ATOM 529 CA ILE A 68 -3.292 2.359 5.858 1.00 0.00 C ATOM 530 C ILE A 68 -4.706 2.431 5.293 1.00 0.00 C ATOM 531 O ILE A 68 -5.646 2.810 5.995 1.00 0.00 O ATOM 532 CB ILE A 68 -3.022 0.926 6.351 1.00 0.00 C ATOM 533 CG1 ILE A 68 -2.086 0.909 7.566 1.00 0.00 C ATOM 534 CG2 ILE A 68 -2.420 0.111 5.216 1.00 0.00 C ATOM 535 CD1 ILE A 68 -0.636 1.207 7.247 1.00 0.00 C ATOM 0 H ILE A 68 -3.330 3.042 7.845 1.00 0.00 H new ATOM 0 HA ILE A 68 -2.560 2.587 5.084 1.00 0.00 H new ATOM 0 HB ILE A 68 -3.970 0.488 6.664 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -2.442 1.639 8.293 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -2.146 -0.070 8.041 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -2.227 -0.905 5.560 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -3.117 0.084 4.378 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -1.485 0.569 4.895 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -0.047 1.174 8.164 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -0.257 0.463 6.546 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -0.558 2.199 6.801 1.00 0.00 H new ATOM 547 N CYS A 69 -4.850 2.062 4.030 1.00 0.00 N ATOM 548 CA CYS A 69 -6.087 2.235 3.301 1.00 0.00 C ATOM 549 C CYS A 69 -6.180 1.209 2.186 1.00 0.00 C ATOM 550 O CYS A 69 -5.214 0.498 1.907 1.00 0.00 O ATOM 551 CB CYS A 69 -6.152 3.650 2.732 1.00 0.00 C ATOM 552 SG CYS A 69 -6.430 4.909 3.993 1.00 0.00 S ATOM 0 H CYS A 69 -4.105 1.632 3.483 1.00 0.00 H new ATOM 0 HA CYS A 69 -6.929 2.088 3.977 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -5.221 3.868 2.209 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -6.952 3.702 1.993 1.00 0.00 H new ATOM 0 HG CYS A 69 -7.531 5.549 3.732 1.00 0.00 H new ATOM 558 N LEU A 70 -7.336 1.113 1.556 1.00 0.00 N ATOM 559 CA LEU A 70 -7.532 0.148 0.497 1.00 0.00 C ATOM 560 C LEU A 70 -8.437 0.709 -0.574 1.00 0.00 C ATOM 561 O LEU A 70 -9.608 0.964 -0.321 1.00 0.00 O ATOM 562 CB LEU A 70 -8.137 -1.121 1.069 1.00 0.00 C ATOM 563 CG LEU A 70 -7.866 -2.363 0.251 1.00 0.00 C ATOM 564 CD1 LEU A 70 -7.843 -3.571 1.163 1.00 0.00 C ATOM 565 CD2 LEU A 70 -8.907 -2.546 -0.844 1.00 0.00 C ATOM 0 H LEU A 70 -8.151 1.692 1.761 1.00 0.00 H new ATOM 0 HA LEU A 70 -6.565 -0.079 0.048 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -7.750 -1.272 2.077 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -9.215 -0.987 1.159 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.896 -2.252 -0.234 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.648 -4.467 0.575 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -7.058 -3.449 1.909 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -8.807 -3.668 1.663 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -8.682 -3.448 -1.413 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -9.896 -2.638 -0.394 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -8.890 -1.683 -1.510 1.00 0.00 H new ATOM 577 N GLN A 71 -7.885 0.894 -1.767 1.00 0.00 N ATOM 578 CA GLN A 71 -8.622 1.470 -2.881 1.00 0.00 C ATOM 579 C GLN A 71 -9.297 2.760 -2.438 1.00 0.00 C ATOM 580 O GLN A 71 -10.418 3.074 -2.840 1.00 0.00 O ATOM 581 CB GLN A 71 -9.607 0.439 -3.444 1.00 0.00 C ATOM 582 CG GLN A 71 -8.884 -0.735 -4.095 1.00 0.00 C ATOM 583 CD GLN A 71 -9.744 -1.969 -4.288 1.00 0.00 C ATOM 584 OE1 GLN A 71 -10.958 -1.884 -4.488 1.00 0.00 O ATOM 585 NE2 GLN A 71 -9.105 -3.131 -4.224 1.00 0.00 N ATOM 0 H GLN A 71 -6.919 0.650 -1.987 1.00 0.00 H new ATOM 0 HA GLN A 71 -7.941 1.730 -3.692 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -10.248 0.072 -2.642 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.256 0.918 -4.177 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -8.501 -0.418 -5.065 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -8.022 -1.000 -3.483 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -8.099 -3.151 -4.056 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -9.620 -4.003 -4.342 1.00 0.00 H new ATOM 594 N ASP A 72 -8.581 3.455 -1.548 1.00 0.00 N ATOM 595 CA ASP A 72 -8.931 4.791 -1.062 1.00 0.00 C ATOM 596 C ASP A 72 -9.868 4.723 0.142 1.00 0.00 C ATOM 597 O ASP A 72 -10.071 5.722 0.827 1.00 0.00 O ATOM 598 CB ASP A 72 -9.506 5.683 -2.169 1.00 0.00 C ATOM 599 CG ASP A 72 -9.548 7.137 -1.764 1.00 0.00 C ATOM 600 OD1 ASP A 72 -8.460 7.734 -1.610 1.00 0.00 O ATOM 601 OD2 ASP A 72 -10.653 7.689 -1.607 1.00 0.00 O ATOM 0 H ASP A 72 -7.721 3.094 -1.136 1.00 0.00 H new ATOM 0 HA ASP A 72 -8.002 5.256 -0.733 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -8.902 5.576 -3.070 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -10.513 5.347 -2.418 1.00 0.00 H new ATOM 606 N ILE A 73 -10.423 3.542 0.415 1.00 0.00 N ATOM 607 CA ILE A 73 -11.104 3.309 1.685 1.00 0.00 C ATOM 608 C ILE A 73 -10.065 3.395 2.782 1.00 0.00 C ATOM 609 O ILE A 73 -8.921 3.028 2.554 1.00 0.00 O ATOM 610 CB ILE A 73 -11.724 1.899 1.786 1.00 0.00 C ATOM 611 CG1 ILE A 73 -12.471 1.505 0.519 1.00 0.00 C ATOM 612 CG2 ILE A 73 -12.658 1.811 2.983 1.00 0.00 C ATOM 613 CD1 ILE A 73 -12.789 0.029 0.493 1.00 0.00 C ATOM 0 H ILE A 73 -10.414 2.742 -0.218 1.00 0.00 H new ATOM 0 HA ILE A 73 -11.901 4.048 1.770 1.00 0.00 H new ATOM 0 HB ILE A 73 -10.899 1.199 1.916 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -13.396 2.078 0.449 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -11.870 1.763 -0.353 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -13.086 0.810 3.038 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -12.100 2.018 3.896 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -13.459 2.542 2.874 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -13.322 -0.212 -0.427 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -11.863 -0.544 0.536 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -13.412 -0.224 1.351 1.00 0.00 H new ATOM 625 N GLN A 74 -10.430 3.845 3.959 1.00 0.00 N ATOM 626 CA GLN A 74 -9.471 3.875 5.045 1.00 0.00 C ATOM 627 C GLN A 74 -9.635 2.620 5.894 1.00 0.00 C ATOM 628 O GLN A 74 -10.754 2.192 6.185 1.00 0.00 O ATOM 629 CB GLN A 74 -9.590 5.139 5.910 1.00 0.00 C ATOM 630 CG GLN A 74 -10.584 6.184 5.419 1.00 0.00 C ATOM 631 CD GLN A 74 -10.050 7.093 4.321 1.00 0.00 C ATOM 632 OE1 GLN A 74 -9.160 6.596 3.473 1.00 0.00 O flip ATOM 633 NE2 GLN A 74 -10.444 8.250 4.235 1.00 0.00 N flip ATOM 0 H GLN A 74 -11.362 4.189 4.190 1.00 0.00 H new ATOM 0 HA GLN A 74 -8.473 3.900 4.608 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -9.873 4.841 6.919 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -8.606 5.604 5.979 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -11.475 5.675 5.051 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -10.894 6.799 6.264 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -11.129 8.606 4.901 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -10.087 8.857 3.497 1.00 0.00 H new ATOM 642 N LEU A 75 -8.515 2.040 6.287 1.00 0.00 N ATOM 643 CA LEU A 75 -8.506 0.772 7.005 1.00 0.00 C ATOM 644 C LEU A 75 -8.060 1.011 8.438 1.00 0.00 C ATOM 645 O LEU A 75 -7.672 2.127 8.790 1.00 0.00 O ATOM 646 CB LEU A 75 -7.567 -0.221 6.303 1.00 0.00 C ATOM 647 CG LEU A 75 -8.019 -0.682 4.909 1.00 0.00 C ATOM 648 CD1 LEU A 75 -6.867 -1.285 4.129 1.00 0.00 C ATOM 649 CD2 LEU A 75 -9.124 -1.711 5.019 1.00 0.00 C ATOM 0 H LEU A 75 -7.588 2.431 6.120 1.00 0.00 H new ATOM 0 HA LEU A 75 -9.509 0.346 7.012 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -6.582 0.237 6.214 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -7.454 -1.099 6.939 1.00 0.00 H new ATOM 0 HG LEU A 75 -8.386 0.198 4.382 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -7.219 -1.602 3.147 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -6.079 -0.541 4.010 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -6.474 -2.147 4.669 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -9.430 -2.024 4.021 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -8.762 -2.575 5.576 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -9.977 -1.275 5.540 1.00 0.00 H new ATOM 661 N ASP A 76 -8.100 -0.021 9.263 1.00 0.00 N ATOM 662 CA ASP A 76 -7.652 0.090 10.632 1.00 0.00 C ATOM 663 C ASP A 76 -6.577 -0.953 10.873 1.00 0.00 C ATOM 664 O ASP A 76 -6.860 -2.139 11.014 1.00 0.00 O ATOM 665 CB ASP A 76 -8.806 -0.078 11.621 1.00 0.00 C ATOM 666 CG ASP A 76 -8.362 0.105 13.055 1.00 0.00 C ATOM 667 OD1 ASP A 76 -8.126 1.261 13.464 1.00 0.00 O ATOM 668 OD2 ASP A 76 -8.249 -0.899 13.777 1.00 0.00 O ATOM 0 H ASP A 76 -8.440 -0.947 9.003 1.00 0.00 H new ATOM 0 HA ASP A 76 -7.245 1.088 10.794 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -9.588 0.645 11.390 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -9.243 -1.069 11.502 1.00 0.00 H new ATOM 673 N PRO A 77 -5.328 -0.496 10.812 1.00 0.00 N ATOM 674 CA PRO A 77 -4.106 -1.274 11.059 1.00 0.00 C ATOM 675 C PRO A 77 -4.241 -2.401 12.087 1.00 0.00 C ATOM 676 O PRO A 77 -3.561 -3.422 11.980 1.00 0.00 O ATOM 677 CB PRO A 77 -3.172 -0.191 11.587 1.00 0.00 C ATOM 678 CG PRO A 77 -3.557 1.044 10.835 1.00 0.00 C ATOM 679 CD PRO A 77 -5.006 0.881 10.435 1.00 0.00 C ATOM 0 HA PRO A 77 -3.782 -1.805 10.164 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -3.293 -0.054 12.662 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -2.128 -0.450 11.414 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -3.425 1.931 11.455 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -2.926 1.173 9.956 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -5.645 1.596 10.953 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -5.145 1.045 9.366 1.00 0.00 H new ATOM 687 N ASP A 78 -5.110 -2.215 13.065 1.00 0.00 N ATOM 688 CA ASP A 78 -5.298 -3.190 14.131 1.00 0.00 C ATOM 689 C ASP A 78 -5.999 -4.441 13.625 1.00 0.00 C ATOM 690 O ASP A 78 -5.749 -5.543 14.112 1.00 0.00 O ATOM 691 CB ASP A 78 -6.113 -2.570 15.255 1.00 0.00 C ATOM 692 CG ASP A 78 -5.292 -1.622 16.101 1.00 0.00 C ATOM 693 OD1 ASP A 78 -5.030 -0.489 15.647 1.00 0.00 O ATOM 694 OD2 ASP A 78 -4.889 -2.008 17.218 1.00 0.00 O ATOM 0 H ASP A 78 -5.703 -1.389 13.145 1.00 0.00 H new ATOM 0 HA ASP A 78 -4.314 -3.478 14.500 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -6.963 -2.034 14.832 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -6.517 -3.361 15.887 1.00 0.00 H new ATOM 699 N ARG A 79 -6.861 -4.270 12.638 1.00 0.00 N ATOM 700 CA ARG A 79 -7.675 -5.355 12.122 1.00 0.00 C ATOM 701 C ARG A 79 -7.084 -5.866 10.809 1.00 0.00 C ATOM 702 O ARG A 79 -6.238 -5.201 10.206 1.00 0.00 O ATOM 703 CB ARG A 79 -9.102 -4.850 11.902 1.00 0.00 C ATOM 704 CG ARG A 79 -9.755 -4.320 13.168 1.00 0.00 C ATOM 705 CD ARG A 79 -11.123 -3.725 12.882 1.00 0.00 C ATOM 706 NE ARG A 79 -11.774 -3.241 14.100 1.00 0.00 N ATOM 707 CZ ARG A 79 -13.059 -3.440 14.392 1.00 0.00 C ATOM 708 NH1 ARG A 79 -13.836 -4.136 13.570 1.00 0.00 N ATOM 709 NH2 ARG A 79 -13.576 -2.949 15.512 1.00 0.00 N ATOM 0 H ARG A 79 -7.016 -3.376 12.172 1.00 0.00 H new ATOM 0 HA ARG A 79 -7.691 -6.177 12.838 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -9.089 -4.060 11.151 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -9.709 -5.661 11.501 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -9.853 -5.128 13.894 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -9.115 -3.562 13.619 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -11.020 -2.903 12.174 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -11.754 -4.477 12.408 1.00 0.00 H new ATOM 0 HE ARG A 79 -11.208 -2.718 14.768 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -13.450 -4.522 12.708 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -14.819 -4.284 13.800 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -12.989 -2.416 16.154 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -14.560 -3.104 15.730 1.00 0.00 H new ATOM 723 N SER A 80 -7.513 -7.042 10.368 1.00 0.00 N ATOM 724 CA SER A 80 -6.952 -7.662 9.173 1.00 0.00 C ATOM 725 C SER A 80 -7.829 -7.457 7.931 1.00 0.00 C ATOM 726 O SER A 80 -8.849 -6.787 7.999 1.00 0.00 O ATOM 727 CB SER A 80 -6.791 -9.148 9.433 1.00 0.00 C ATOM 728 OG SER A 80 -8.042 -9.771 9.675 1.00 0.00 O ATOM 0 H SER A 80 -8.248 -7.586 10.820 1.00 0.00 H new ATOM 0 HA SER A 80 -5.992 -7.187 8.969 1.00 0.00 H new ATOM 0 HB2 SER A 80 -6.309 -9.618 8.576 1.00 0.00 H new ATOM 0 HB3 SER A 80 -6.136 -9.300 10.291 1.00 0.00 H new ATOM 0 HG SER A 80 -8.418 -9.434 10.515 1.00 0.00 H new ATOM 734 N LEU A 81 -7.403 -8.011 6.789 1.00 0.00 N ATOM 735 CA LEU A 81 -8.246 -8.057 5.585 1.00 0.00 C ATOM 736 C LEU A 81 -9.551 -8.789 5.884 1.00 0.00 C ATOM 737 O LEU A 81 -10.622 -8.368 5.452 1.00 0.00 O ATOM 738 CB LEU A 81 -7.536 -8.757 4.418 1.00 0.00 C ATOM 739 CG LEU A 81 -6.700 -7.873 3.478 1.00 0.00 C ATOM 740 CD1 LEU A 81 -5.504 -7.276 4.194 1.00 0.00 C ATOM 741 CD2 LEU A 81 -6.238 -8.677 2.268 1.00 0.00 C ATOM 0 H LEU A 81 -6.482 -8.433 6.672 1.00 0.00 H new ATOM 0 HA LEU A 81 -8.452 -7.027 5.295 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.882 -9.525 4.831 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -8.290 -9.268 3.820 1.00 0.00 H new ATOM 0 HG LEU A 81 -7.334 -7.053 3.142 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.936 -6.657 3.500 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -5.847 -6.664 5.028 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.868 -8.077 4.570 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.647 -8.039 1.611 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -5.629 -9.518 2.601 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -7.107 -9.050 1.726 1.00 0.00 H new ATOM 753 N PHE A 82 -9.449 -9.874 6.641 1.00 0.00 N ATOM 754 CA PHE A 82 -10.626 -10.597 7.119 1.00 0.00 C ATOM 755 C PHE A 82 -11.496 -9.729 8.023 1.00 0.00 C ATOM 756 O PHE A 82 -12.635 -10.072 8.325 1.00 0.00 O ATOM 757 CB PHE A 82 -10.237 -11.886 7.848 1.00 0.00 C ATOM 758 CG PHE A 82 -10.173 -13.086 6.961 1.00 0.00 C ATOM 759 CD1 PHE A 82 -11.342 -13.660 6.500 1.00 0.00 C ATOM 760 CD2 PHE A 82 -8.970 -13.651 6.612 1.00 0.00 C ATOM 761 CE1 PHE A 82 -11.311 -14.779 5.694 1.00 0.00 C ATOM 762 CE2 PHE A 82 -8.930 -14.772 5.802 1.00 0.00 C ATOM 763 CZ PHE A 82 -10.100 -15.338 5.346 1.00 0.00 C ATOM 0 H PHE A 82 -8.560 -10.276 6.940 1.00 0.00 H new ATOM 0 HA PHE A 82 -11.208 -10.861 6.236 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -9.266 -11.745 8.323 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -10.957 -12.073 8.645 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -12.293 -13.227 6.774 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -8.049 -13.217 6.973 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -12.232 -15.216 5.337 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -7.979 -15.204 5.527 1.00 0.00 H new ATOM 0 HZ PHE A 82 -10.069 -16.216 4.718 1.00 0.00 H new ATOM 773 N ASP A 83 -10.938 -8.642 8.497 1.00 0.00 N ATOM 774 CA ASP A 83 -11.707 -7.676 9.260 1.00 0.00 C ATOM 775 C ASP A 83 -12.099 -6.482 8.394 1.00 0.00 C ATOM 776 O ASP A 83 -13.044 -5.759 8.708 1.00 0.00 O ATOM 777 CB ASP A 83 -10.904 -7.195 10.461 1.00 0.00 C ATOM 778 CG ASP A 83 -10.581 -8.298 11.443 1.00 0.00 C ATOM 779 OD1 ASP A 83 -11.506 -8.798 12.112 1.00 0.00 O ATOM 780 OD2 ASP A 83 -9.390 -8.657 11.560 1.00 0.00 O ATOM 0 H ASP A 83 -9.955 -8.400 8.371 1.00 0.00 H new ATOM 0 HA ASP A 83 -12.616 -8.168 9.606 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -9.975 -6.745 10.112 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -11.464 -6.413 10.974 1.00 0.00 H new ATOM 785 N GLN A 84 -11.379 -6.290 7.296 1.00 0.00 N ATOM 786 CA GLN A 84 -11.535 -5.104 6.463 1.00 0.00 C ATOM 787 C GLN A 84 -11.402 -5.444 4.983 1.00 0.00 C ATOM 788 O GLN A 84 -10.296 -5.455 4.439 1.00 0.00 O ATOM 789 CB GLN A 84 -10.477 -4.055 6.824 1.00 0.00 C ATOM 790 CG GLN A 84 -10.691 -3.395 8.177 1.00 0.00 C ATOM 791 CD GLN A 84 -9.428 -3.231 8.982 1.00 0.00 C ATOM 792 OE1 GLN A 84 -9.348 -2.338 9.804 1.00 0.00 O ATOM 793 NE2 GLN A 84 -8.429 -4.066 8.754 1.00 0.00 N ATOM 0 H GLN A 84 -10.675 -6.947 6.959 1.00 0.00 H new ATOM 0 HA GLN A 84 -12.533 -4.706 6.648 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -9.495 -4.527 6.814 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -10.468 -3.284 6.053 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -11.143 -2.415 8.025 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -11.402 -3.989 8.752 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -8.530 -4.804 8.057 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -7.557 -3.972 9.275 1.00 0.00 H new ATOM 802 N GLY A 85 -12.517 -5.734 4.337 1.00 0.00 N ATOM 803 CA GLY A 85 -12.498 -5.872 2.897 1.00 0.00 C ATOM 804 C GLY A 85 -12.761 -7.277 2.404 1.00 0.00 C ATOM 805 O GLY A 85 -13.909 -7.645 2.151 1.00 0.00 O ATOM 0 H GLY A 85 -13.427 -5.875 4.777 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -13.245 -5.203 2.470 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -11.527 -5.544 2.525 1.00 0.00 H new ATOM 809 N VAL A 86 -11.704 -8.065 2.262 1.00 0.00 N ATOM 810 CA VAL A 86 -11.808 -9.353 1.591 1.00 0.00 C ATOM 811 C VAL A 86 -11.800 -10.515 2.563 1.00 0.00 C ATOM 812 O VAL A 86 -11.215 -10.446 3.644 1.00 0.00 O ATOM 813 CB VAL A 86 -10.666 -9.580 0.579 1.00 0.00 C ATOM 814 CG1 VAL A 86 -10.634 -8.469 -0.459 1.00 0.00 C ATOM 815 CG2 VAL A 86 -9.315 -9.720 1.277 1.00 0.00 C ATOM 0 H VAL A 86 -10.769 -7.836 2.601 1.00 0.00 H new ATOM 0 HA VAL A 86 -12.764 -9.318 1.069 1.00 0.00 H new ATOM 0 HB VAL A 86 -10.864 -10.520 0.064 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -9.821 -8.651 -1.162 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -11.581 -8.447 -0.998 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -10.477 -7.511 0.038 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -8.535 -9.879 0.532 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -9.100 -8.811 1.839 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -9.344 -10.570 1.959 1.00 0.00 H new ATOM 825 N LYS A 87 -12.449 -11.591 2.160 1.00 0.00 N ATOM 826 CA LYS A 87 -12.383 -12.833 2.898 1.00 0.00 C ATOM 827 C LYS A 87 -11.941 -13.938 1.956 1.00 0.00 C ATOM 828 O LYS A 87 -12.739 -14.777 1.544 1.00 0.00 O ATOM 829 CB LYS A 87 -13.745 -13.177 3.505 1.00 0.00 C ATOM 830 CG LYS A 87 -14.401 -12.012 4.225 1.00 0.00 C ATOM 831 CD LYS A 87 -13.613 -11.559 5.449 1.00 0.00 C ATOM 832 CE LYS A 87 -13.993 -10.139 5.823 1.00 0.00 C ATOM 833 NZ LYS A 87 -15.308 -10.074 6.512 1.00 0.00 N ATOM 0 H LYS A 87 -13.029 -11.627 1.322 1.00 0.00 H new ATOM 0 HA LYS A 87 -11.667 -12.729 3.713 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -14.409 -13.524 2.713 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -13.623 -14.004 4.205 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -14.505 -11.175 3.534 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -15.407 -12.299 4.531 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -13.811 -12.228 6.286 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -12.544 -11.615 5.243 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -13.224 -9.717 6.470 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -14.025 -9.524 4.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -15.527 -9.085 6.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -16.047 -10.452 5.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -15.271 -10.639 7.384 1.00 0.00 H new ATOM 847 N THR A 88 -10.666 -13.925 1.606 1.00 0.00 N ATOM 848 CA THR A 88 -10.100 -14.973 0.783 1.00 0.00 C ATOM 849 C THR A 88 -9.345 -15.954 1.681 1.00 0.00 C ATOM 850 O THR A 88 -9.977 -16.623 2.497 1.00 0.00 O ATOM 851 CB THR A 88 -9.220 -14.394 -0.367 1.00 0.00 C ATOM 852 OG1 THR A 88 -8.536 -15.436 -1.068 1.00 0.00 O ATOM 853 CG2 THR A 88 -8.216 -13.366 0.138 1.00 0.00 C ATOM 0 H THR A 88 -10.005 -13.198 1.881 1.00 0.00 H new ATOM 0 HA THR A 88 -10.900 -15.517 0.281 1.00 0.00 H new ATOM 0 HB THR A 88 -9.900 -13.890 -1.054 1.00 0.00 H new ATOM 0 HG1 THR A 88 -8.260 -15.110 -1.950 1.00 0.00 H new ATOM 0 HG21 THR A 88 -7.626 -12.992 -0.699 1.00 0.00 H new ATOM 0 HG22 THR A 88 -8.748 -12.538 0.607 1.00 0.00 H new ATOM 0 HG23 THR A 88 -7.554 -13.832 0.868 1.00 0.00 H new ATOM 861 N ASP A 89 -8.022 -16.033 1.571 1.00 0.00 N ATOM 862 CA ASP A 89 -7.244 -16.846 2.498 1.00 0.00 C ATOM 863 C ASP A 89 -5.750 -16.693 2.285 1.00 0.00 C ATOM 864 O ASP A 89 -5.250 -16.796 1.163 1.00 0.00 O ATOM 865 CB ASP A 89 -7.614 -18.322 2.368 1.00 0.00 C ATOM 866 CG ASP A 89 -6.862 -19.191 3.351 1.00 0.00 C ATOM 867 OD1 ASP A 89 -6.814 -18.844 4.546 1.00 0.00 O ATOM 868 OD2 ASP A 89 -6.312 -20.229 2.930 1.00 0.00 O ATOM 0 H ASP A 89 -7.473 -15.551 0.859 1.00 0.00 H new ATOM 0 HA ASP A 89 -7.487 -16.488 3.499 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -8.686 -18.441 2.527 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -7.403 -18.659 1.353 1.00 0.00 H new ATOM 873 N GLY A 90 -5.053 -16.416 3.372 1.00 0.00 N ATOM 874 CA GLY A 90 -3.609 -16.497 3.376 1.00 0.00 C ATOM 875 C GLY A 90 -2.939 -15.150 3.269 1.00 0.00 C ATOM 876 O GLY A 90 -3.297 -14.207 3.978 1.00 0.00 O ATOM 0 H GLY A 90 -5.466 -16.134 4.261 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -3.281 -16.987 4.293 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -3.284 -17.124 2.546 1.00 0.00 H new ATOM 880 N THR A 91 -1.947 -15.077 2.399 1.00 0.00 N ATOM 881 CA THR A 91 -1.216 -13.852 2.147 1.00 0.00 C ATOM 882 C THR A 91 -1.547 -13.318 0.758 1.00 0.00 C ATOM 883 O THR A 91 -1.370 -14.015 -0.241 1.00 0.00 O ATOM 884 CB THR A 91 0.303 -14.098 2.263 1.00 0.00 C ATOM 885 OG1 THR A 91 0.631 -14.474 3.609 1.00 0.00 O ATOM 886 CG2 THR A 91 1.108 -12.866 1.854 1.00 0.00 C ATOM 0 H THR A 91 -1.626 -15.871 1.846 1.00 0.00 H new ATOM 0 HA THR A 91 -1.512 -13.114 2.893 1.00 0.00 H new ATOM 0 HB THR A 91 0.566 -14.906 1.580 1.00 0.00 H new ATOM 0 HG1 THR A 91 1.596 -14.631 3.679 1.00 0.00 H new ATOM 0 HG21 THR A 91 2.173 -13.079 1.949 1.00 0.00 H new ATOM 0 HG22 THR A 91 0.880 -12.610 0.819 1.00 0.00 H new ATOM 0 HG23 THR A 91 0.846 -12.029 2.501 1.00 0.00 H new ATOM 894 N VAL A 92 -2.052 -12.099 0.693 1.00 0.00 N ATOM 895 CA VAL A 92 -2.316 -11.468 -0.589 1.00 0.00 C ATOM 896 C VAL A 92 -1.199 -10.509 -0.925 1.00 0.00 C ATOM 897 O VAL A 92 -0.445 -10.089 -0.045 1.00 0.00 O ATOM 898 CB VAL A 92 -3.655 -10.711 -0.619 1.00 0.00 C ATOM 899 CG1 VAL A 92 -4.786 -11.634 -0.228 1.00 0.00 C ATOM 900 CG2 VAL A 92 -3.614 -9.484 0.269 1.00 0.00 C ATOM 0 H VAL A 92 -2.286 -11.529 1.506 1.00 0.00 H new ATOM 0 HA VAL A 92 -2.375 -12.267 -1.328 1.00 0.00 H new ATOM 0 HB VAL A 92 -3.831 -10.366 -1.638 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -5.728 -11.086 -0.253 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -4.833 -12.469 -0.927 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -4.614 -12.014 0.779 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -4.575 -8.971 0.226 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -3.409 -9.785 1.296 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.828 -8.812 -0.075 1.00 0.00 H new ATOM 910 N GLN A 93 -1.100 -10.159 -2.186 1.00 0.00 N ATOM 911 CA GLN A 93 -0.098 -9.225 -2.639 1.00 0.00 C ATOM 912 C GLN A 93 -0.759 -7.861 -2.799 1.00 0.00 C ATOM 913 O GLN A 93 -1.690 -7.699 -3.585 1.00 0.00 O ATOM 914 CB GLN A 93 0.516 -9.727 -3.951 1.00 0.00 C ATOM 915 CG GLN A 93 1.886 -9.149 -4.283 1.00 0.00 C ATOM 916 CD GLN A 93 1.826 -7.736 -4.824 1.00 0.00 C ATOM 917 OE1 GLN A 93 1.660 -7.525 -6.025 1.00 0.00 O ATOM 918 NE2 GLN A 93 1.987 -6.761 -3.947 1.00 0.00 N ATOM 0 H GLN A 93 -1.709 -10.512 -2.924 1.00 0.00 H new ATOM 0 HA GLN A 93 0.714 -9.136 -1.917 1.00 0.00 H new ATOM 0 HB2 GLN A 93 0.598 -10.813 -3.904 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -0.168 -9.494 -4.767 1.00 0.00 H new ATOM 0 HG2 GLN A 93 2.505 -9.161 -3.386 1.00 0.00 H new ATOM 0 HG3 GLN A 93 2.375 -9.791 -5.016 1.00 0.00 H new ATOM 0 HE21 GLN A 93 2.122 -6.980 -2.960 1.00 0.00 H new ATOM 0 HE22 GLN A 93 1.976 -5.789 -4.257 1.00 0.00 H new ATOM 927 N LEU A 94 -0.278 -6.898 -2.030 1.00 0.00 N ATOM 928 CA LEU A 94 -0.900 -5.584 -1.961 1.00 0.00 C ATOM 929 C LEU A 94 -0.178 -4.600 -2.859 1.00 0.00 C ATOM 930 O LEU A 94 1.001 -4.310 -2.646 1.00 0.00 O ATOM 931 CB LEU A 94 -0.889 -5.017 -0.534 1.00 0.00 C ATOM 932 CG LEU A 94 -1.656 -5.800 0.536 1.00 0.00 C ATOM 933 CD1 LEU A 94 -2.981 -6.316 0.011 1.00 0.00 C ATOM 934 CD2 LEU A 94 -0.810 -6.928 1.108 1.00 0.00 C ATOM 0 H LEU A 94 0.548 -7.002 -1.440 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.931 -5.715 -2.288 1.00 0.00 H new ATOM 0 HB2 LEU A 94 0.149 -4.933 -0.212 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.295 -4.006 -0.569 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.878 -5.107 1.348 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -3.495 -6.866 0.799 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -3.598 -5.476 -0.307 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -2.804 -6.978 -0.837 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -1.383 -7.465 1.865 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.531 -7.615 0.309 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.091 -6.514 1.561 1.00 0.00 H new ATOM 946 N SER A 95 -0.869 -4.093 -3.867 1.00 0.00 N ATOM 947 CA SER A 95 -0.360 -2.945 -4.589 1.00 0.00 C ATOM 948 C SER A 95 -0.770 -1.689 -3.826 1.00 0.00 C ATOM 949 O SER A 95 -1.685 -0.964 -4.216 1.00 0.00 O ATOM 950 CB SER A 95 -0.898 -2.919 -6.019 1.00 0.00 C ATOM 951 OG SER A 95 -0.557 -4.110 -6.717 1.00 0.00 O ATOM 0 H SER A 95 -1.765 -4.451 -4.197 1.00 0.00 H new ATOM 0 HA SER A 95 0.726 -2.998 -4.659 1.00 0.00 H new ATOM 0 HB2 SER A 95 -1.982 -2.802 -6.001 1.00 0.00 H new ATOM 0 HB3 SER A 95 -0.493 -2.056 -6.547 1.00 0.00 H new ATOM 0 HG SER A 95 -0.914 -4.069 -7.629 1.00 0.00 H new ATOM 957 N VAL A 96 -0.090 -1.476 -2.716 1.00 0.00 N ATOM 958 CA VAL A 96 -0.383 -0.373 -1.818 1.00 0.00 C ATOM 959 C VAL A 96 0.409 0.884 -2.190 1.00 0.00 C ATOM 960 O VAL A 96 1.620 0.839 -2.416 1.00 0.00 O ATOM 961 CB VAL A 96 -0.149 -0.799 -0.346 1.00 0.00 C ATOM 962 CG1 VAL A 96 1.182 -1.521 -0.189 1.00 0.00 C ATOM 963 CG2 VAL A 96 -0.241 0.392 0.595 1.00 0.00 C ATOM 0 H VAL A 96 0.684 -2.065 -2.409 1.00 0.00 H new ATOM 0 HA VAL A 96 -1.436 -0.114 -1.925 1.00 0.00 H new ATOM 0 HB VAL A 96 -0.941 -1.497 -0.074 1.00 0.00 H new ATOM 0 HG11 VAL A 96 1.319 -1.808 0.854 1.00 0.00 H new ATOM 0 HG12 VAL A 96 1.188 -2.413 -0.815 1.00 0.00 H new ATOM 0 HG13 VAL A 96 1.993 -0.859 -0.493 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -0.072 0.060 1.619 1.00 0.00 H new ATOM 0 HG22 VAL A 96 0.514 1.129 0.323 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -1.231 0.841 0.518 1.00 0.00 H new ATOM 973 N GLN A 97 -0.312 1.994 -2.287 1.00 0.00 N ATOM 974 CA GLN A 97 0.241 3.275 -2.703 1.00 0.00 C ATOM 975 C GLN A 97 0.281 4.260 -1.545 1.00 0.00 C ATOM 976 O GLN A 97 -0.570 4.219 -0.665 1.00 0.00 O ATOM 977 CB GLN A 97 -0.635 3.877 -3.800 1.00 0.00 C ATOM 978 CG GLN A 97 -0.582 3.139 -5.121 1.00 0.00 C ATOM 979 CD GLN A 97 -1.307 3.877 -6.231 1.00 0.00 C ATOM 980 OE1 GLN A 97 -2.295 4.683 -5.863 1.00 0.00 O flip ATOM 981 NE2 GLN A 97 -0.978 3.734 -7.406 1.00 0.00 N flip ATOM 0 H GLN A 97 -1.309 2.029 -2.076 1.00 0.00 H new ATOM 0 HA GLN A 97 1.255 3.098 -3.063 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -1.668 3.899 -3.452 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -0.331 4.911 -3.963 1.00 0.00 H new ATOM 0 HG2 GLN A 97 0.459 2.990 -5.408 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -1.024 2.150 -4.998 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -0.213 3.105 -7.648 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -1.470 4.245 -8.139 1.00 0.00 H new ATOM 990 N VAL A 98 1.261 5.151 -1.553 1.00 0.00 N ATOM 991 CA VAL A 98 1.273 6.255 -0.620 1.00 0.00 C ATOM 992 C VAL A 98 0.583 7.460 -1.270 1.00 0.00 C ATOM 993 O VAL A 98 0.955 7.910 -2.361 1.00 0.00 O ATOM 994 CB VAL A 98 2.708 6.598 -0.119 1.00 0.00 C ATOM 995 CG1 VAL A 98 3.681 5.473 -0.428 1.00 0.00 C ATOM 996 CG2 VAL A 98 3.223 7.925 -0.653 1.00 0.00 C ATOM 0 H VAL A 98 2.053 5.127 -2.195 1.00 0.00 H new ATOM 0 HA VAL A 98 0.720 5.965 0.274 1.00 0.00 H new ATOM 0 HB VAL A 98 2.636 6.706 0.963 1.00 0.00 H new ATOM 0 HG11 VAL A 98 4.674 5.741 -0.067 1.00 0.00 H new ATOM 0 HG12 VAL A 98 3.350 4.559 0.066 1.00 0.00 H new ATOM 0 HG13 VAL A 98 3.719 5.310 -1.505 1.00 0.00 H new ATOM 0 HG21 VAL A 98 4.226 8.107 -0.268 1.00 0.00 H new ATOM 0 HG22 VAL A 98 3.252 7.892 -1.742 1.00 0.00 H new ATOM 0 HG23 VAL A 98 2.560 8.728 -0.332 1.00 0.00 H new ATOM 1006 N ILE A 99 -0.476 7.917 -0.628 1.00 0.00 N ATOM 1007 CA ILE A 99 -1.303 8.985 -1.161 1.00 0.00 C ATOM 1008 C ILE A 99 -1.291 10.221 -0.288 1.00 0.00 C ATOM 1009 O ILE A 99 -1.611 10.152 0.898 1.00 0.00 O ATOM 1010 CB ILE A 99 -2.779 8.545 -1.266 1.00 0.00 C ATOM 1011 CG1 ILE A 99 -2.971 7.500 -2.358 1.00 0.00 C ATOM 1012 CG2 ILE A 99 -3.690 9.743 -1.518 1.00 0.00 C ATOM 1013 CD1 ILE A 99 -4.424 7.149 -2.585 1.00 0.00 C ATOM 0 H ILE A 99 -0.787 7.560 0.275 1.00 0.00 H new ATOM 0 HA ILE A 99 -0.880 9.213 -2.139 1.00 0.00 H new ATOM 0 HB ILE A 99 -3.052 8.095 -0.312 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -2.542 7.871 -3.289 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -2.421 6.597 -2.091 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -4.724 9.405 -1.588 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -3.595 10.452 -0.696 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -3.403 10.228 -2.451 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -4.499 6.400 -3.374 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -4.850 6.750 -1.664 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -4.972 8.043 -2.881 1.00 0.00 H new ATOM 1025 N SER A 100 -0.935 11.344 -0.871 1.00 0.00 N ATOM 1026 CA SER A 100 -1.318 12.615 -0.309 1.00 0.00 C ATOM 1027 C SER A 100 -1.791 13.533 -1.440 1.00 0.00 C ATOM 1028 O SER A 100 -1.005 14.274 -2.037 1.00 0.00 O ATOM 1029 CB SER A 100 -0.150 13.216 0.484 1.00 0.00 C ATOM 1030 OG SER A 100 0.983 13.429 -0.344 1.00 0.00 O ATOM 0 H SER A 100 -0.385 11.401 -1.728 1.00 0.00 H new ATOM 0 HA SER A 100 -2.142 12.489 0.393 1.00 0.00 H new ATOM 0 HB2 SER A 100 -0.459 14.161 0.930 1.00 0.00 H new ATOM 0 HB3 SER A 100 0.117 12.549 1.304 1.00 0.00 H new ATOM 0 HG SER A 100 0.705 13.877 -1.170 1.00 0.00 H new ATOM 1036 N TYR A 101 -3.090 13.465 -1.729 1.00 0.00 N ATOM 1037 CA TYR A 101 -3.690 14.248 -2.807 1.00 0.00 C ATOM 1038 C TYR A 101 -4.103 15.620 -2.308 1.00 0.00 C ATOM 1039 O TYR A 101 -4.786 15.730 -1.296 1.00 0.00 O ATOM 1040 CB TYR A 101 -4.912 13.531 -3.396 1.00 0.00 C ATOM 1041 CG TYR A 101 -4.571 12.391 -4.332 1.00 0.00 C ATOM 1042 CD1 TYR A 101 -3.659 12.571 -5.366 1.00 0.00 C ATOM 1043 CD2 TYR A 101 -5.172 11.142 -4.198 1.00 0.00 C ATOM 1044 CE1 TYR A 101 -3.354 11.545 -6.236 1.00 0.00 C ATOM 1045 CE2 TYR A 101 -4.868 10.110 -5.064 1.00 0.00 C ATOM 1046 CZ TYR A 101 -3.958 10.316 -6.082 1.00 0.00 C ATOM 1047 OH TYR A 101 -3.654 9.294 -6.952 1.00 0.00 O ATOM 0 H TYR A 101 -3.750 12.871 -1.227 1.00 0.00 H new ATOM 0 HA TYR A 101 -2.938 14.361 -3.588 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -5.522 13.145 -2.579 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -5.522 14.258 -3.933 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -3.181 13.531 -5.490 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -5.887 10.978 -3.405 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -2.645 11.704 -7.035 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -5.340 9.146 -4.946 1.00 0.00 H new ATOM 0 HH TYR A 101 -4.163 8.493 -6.707 1.00 0.00 H new ATOM 1057 N GLN A 102 -3.685 16.658 -3.027 1.00 0.00 N ATOM 1058 CA GLN A 102 -3.946 18.045 -2.635 1.00 0.00 C ATOM 1059 C GLN A 102 -3.455 18.310 -1.217 1.00 0.00 C ATOM 1060 O GLN A 102 -3.991 19.168 -0.512 1.00 0.00 O ATOM 1061 CB GLN A 102 -5.438 18.387 -2.733 1.00 0.00 C ATOM 1062 CG GLN A 102 -6.038 18.125 -4.100 1.00 0.00 C ATOM 1063 CD GLN A 102 -6.840 16.833 -4.160 1.00 0.00 C ATOM 1064 OE1 GLN A 102 -7.480 16.468 -3.056 1.00 0.00 O flip ATOM 1065 NE2 GLN A 102 -6.907 16.181 -5.203 1.00 0.00 N flip ATOM 0 H GLN A 102 -3.158 16.565 -3.895 1.00 0.00 H new ATOM 0 HA GLN A 102 -3.399 18.682 -3.329 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -5.984 17.806 -1.990 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -5.577 19.438 -2.481 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -6.683 18.960 -4.373 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -5.239 18.085 -4.840 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -6.401 16.492 -6.032 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -7.468 15.330 -5.237 1.00 0.00 H new ATOM 1074 N GLY A 103 -2.432 17.575 -0.803 1.00 0.00 N ATOM 1075 CA GLY A 103 -1.951 17.692 0.555 1.00 0.00 C ATOM 1076 C GLY A 103 -2.961 17.172 1.560 1.00 0.00 C ATOM 1077 O GLY A 103 -3.263 17.836 2.548 1.00 0.00 O ATOM 0 H GLY A 103 -1.929 16.903 -1.382 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -1.018 17.138 0.658 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -1.728 18.737 0.772 1.00 0.00 H new ATOM 1081 N MET A 104 -3.494 15.986 1.295 1.00 0.00 N ATOM 1082 CA MET A 104 -4.474 15.371 2.179 1.00 0.00 C ATOM 1083 C MET A 104 -3.784 14.381 3.093 1.00 0.00 C ATOM 1084 O MET A 104 -2.592 14.128 2.932 1.00 0.00 O ATOM 1085 CB MET A 104 -5.575 14.648 1.399 1.00 0.00 C ATOM 1086 CG MET A 104 -5.138 13.323 0.793 1.00 0.00 C ATOM 1087 SD MET A 104 -6.515 12.388 0.105 1.00 0.00 S ATOM 1088 CE MET A 104 -7.590 12.279 1.537 1.00 0.00 C ATOM 0 H MET A 104 -3.263 15.430 0.472 1.00 0.00 H new ATOM 0 HA MET A 104 -4.938 16.168 2.760 1.00 0.00 H new ATOM 0 HB2 MET A 104 -6.420 14.470 2.064 1.00 0.00 H new ATOM 0 HB3 MET A 104 -5.929 15.301 0.601 1.00 0.00 H new ATOM 0 HG2 MET A 104 -4.404 13.511 0.010 1.00 0.00 H new ATOM 0 HG3 MET A 104 -4.643 12.724 1.557 1.00 0.00 H new ATOM 0 HE1 MET A 104 -8.270 11.436 1.418 1.00 0.00 H new ATOM 0 HE2 MET A 104 -6.988 12.135 2.434 1.00 0.00 H new ATOM 0 HE3 MET A 104 -8.166 13.200 1.630 1.00 0.00 H new ATOM 1098 N GLU A 105 -4.546 13.825 4.025 1.00 0.00 N ATOM 1099 CA GLU A 105 -4.030 12.885 5.006 1.00 0.00 C ATOM 1100 C GLU A 105 -3.369 11.704 4.306 1.00 0.00 C ATOM 1101 O GLU A 105 -4.049 10.899 3.665 1.00 0.00 O ATOM 1102 CB GLU A 105 -5.156 12.370 5.914 1.00 0.00 C ATOM 1103 CG GLU A 105 -6.091 13.453 6.443 1.00 0.00 C ATOM 1104 CD GLU A 105 -7.180 13.829 5.454 1.00 0.00 C ATOM 1105 OE1 GLU A 105 -8.221 13.140 5.420 1.00 0.00 O ATOM 1106 OE2 GLU A 105 -6.999 14.811 4.701 1.00 0.00 O ATOM 0 H GLU A 105 -5.544 14.015 4.121 1.00 0.00 H new ATOM 0 HA GLU A 105 -3.293 13.407 5.617 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -5.745 11.638 5.361 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -4.712 11.847 6.761 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -6.551 13.108 7.369 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -5.508 14.341 6.689 1.00 0.00 H new ATOM 1113 N PRO A 106 -2.032 11.623 4.378 1.00 0.00 N ATOM 1114 CA PRO A 106 -1.262 10.529 3.802 1.00 0.00 C ATOM 1115 C PRO A 106 -1.852 9.158 4.116 1.00 0.00 C ATOM 1116 O PRO A 106 -1.897 8.720 5.267 1.00 0.00 O ATOM 1117 CB PRO A 106 0.134 10.683 4.420 1.00 0.00 C ATOM 1118 CG PRO A 106 0.043 11.824 5.383 1.00 0.00 C ATOM 1119 CD PRO A 106 -1.157 12.627 4.985 1.00 0.00 C ATOM 0 HA PRO A 106 -1.256 10.580 2.713 1.00 0.00 H new ATOM 0 HB2 PRO A 106 0.437 9.768 4.929 1.00 0.00 H new ATOM 0 HB3 PRO A 106 0.880 10.882 3.651 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -0.056 11.460 6.406 1.00 0.00 H new ATOM 0 HG3 PRO A 106 0.946 12.434 5.348 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -1.626 13.106 5.844 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -0.899 13.418 4.281 1.00 0.00 H new ATOM 1127 N LYS A 107 -2.350 8.526 3.073 1.00 0.00 N ATOM 1128 CA LYS A 107 -2.861 7.163 3.147 1.00 0.00 C ATOM 1129 C LYS A 107 -1.941 6.195 2.414 1.00 0.00 C ATOM 1130 O LYS A 107 -1.337 6.558 1.413 1.00 0.00 O ATOM 1131 CB LYS A 107 -4.232 7.081 2.487 1.00 0.00 C ATOM 1132 CG LYS A 107 -5.349 7.801 3.217 1.00 0.00 C ATOM 1133 CD LYS A 107 -6.553 7.968 2.307 1.00 0.00 C ATOM 1134 CE LYS A 107 -6.239 8.865 1.121 1.00 0.00 C ATOM 1135 NZ LYS A 107 -7.448 9.168 0.312 1.00 0.00 N ATOM 0 H LYS A 107 -2.414 8.941 2.143 1.00 0.00 H new ATOM 0 HA LYS A 107 -2.921 6.894 4.202 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -4.157 7.490 1.479 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -4.505 6.031 2.385 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -5.633 7.239 4.107 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -5.002 8.778 3.554 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -6.877 6.991 1.949 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -7.382 8.391 2.874 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -5.800 9.797 1.478 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -5.493 8.382 0.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -7.392 10.143 -0.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -7.503 8.509 -0.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -8.297 9.064 0.904 1.00 0.00 H new ATOM 1149 N LEU A 108 -1.835 4.975 2.912 1.00 0.00 N ATOM 1150 CA LEU A 108 -1.279 3.884 2.124 1.00 0.00 C ATOM 1151 C LEU A 108 -2.423 3.000 1.656 1.00 0.00 C ATOM 1152 O LEU A 108 -2.880 2.150 2.409 1.00 0.00 O ATOM 1153 CB LEU A 108 -0.301 3.017 2.944 1.00 0.00 C ATOM 1154 CG LEU A 108 1.088 3.602 3.239 1.00 0.00 C ATOM 1155 CD1 LEU A 108 1.360 4.840 2.408 1.00 0.00 C ATOM 1156 CD2 LEU A 108 1.249 3.897 4.719 1.00 0.00 C ATOM 0 H LEU A 108 -2.125 4.714 3.854 1.00 0.00 H new ATOM 0 HA LEU A 108 -0.731 4.316 1.287 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -0.777 2.783 3.896 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -0.163 2.074 2.416 1.00 0.00 H new ATOM 0 HG LEU A 108 1.826 2.850 2.959 1.00 0.00 H new ATOM 0 HD11 LEU A 108 2.352 5.226 2.644 1.00 0.00 H new ATOM 0 HD12 LEU A 108 1.312 4.585 1.349 1.00 0.00 H new ATOM 0 HD13 LEU A 108 0.612 5.600 2.632 1.00 0.00 H new ATOM 0 HD21 LEU A 108 2.241 4.310 4.902 1.00 0.00 H new ATOM 0 HD22 LEU A 108 0.493 4.617 5.031 1.00 0.00 H new ATOM 0 HD23 LEU A 108 1.129 2.976 5.289 1.00 0.00 H new ATOM 1168 N ASN A 109 -2.863 3.146 0.413 1.00 0.00 N ATOM 1169 CA ASN A 109 -4.003 2.368 -0.056 1.00 0.00 C ATOM 1170 C ASN A 109 -3.577 1.203 -0.900 1.00 0.00 C ATOM 1171 O ASN A 109 -2.830 1.345 -1.855 1.00 0.00 O ATOM 1172 CB ASN A 109 -5.023 3.178 -0.857 1.00 0.00 C ATOM 1173 CG ASN A 109 -4.435 3.945 -2.020 1.00 0.00 C ATOM 1174 OD1 ASN A 109 -3.268 4.317 -2.018 1.00 0.00 O ATOM 1175 ND2 ASN A 109 -5.258 4.195 -3.030 1.00 0.00 N ATOM 0 H ASN A 109 -2.459 3.781 -0.276 1.00 0.00 H new ATOM 0 HA ASN A 109 -4.481 2.024 0.861 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -5.791 2.502 -1.234 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -5.518 3.881 -0.187 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -4.925 4.714 -3.843 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -6.224 3.868 -2.994 1.00 0.00 H new ATOM 1182 N ILE A 110 -4.062 0.048 -0.536 1.00 0.00 N ATOM 1183 CA ILE A 110 -3.932 -1.118 -1.365 1.00 0.00 C ATOM 1184 C ILE A 110 -4.876 -1.000 -2.541 1.00 0.00 C ATOM 1185 O ILE A 110 -6.086 -0.955 -2.362 1.00 0.00 O ATOM 1186 CB ILE A 110 -4.284 -2.379 -0.583 1.00 0.00 C ATOM 1187 CG1 ILE A 110 -3.409 -2.464 0.667 1.00 0.00 C ATOM 1188 CG2 ILE A 110 -4.114 -3.596 -1.470 1.00 0.00 C ATOM 1189 CD1 ILE A 110 -3.929 -3.412 1.719 1.00 0.00 C ATOM 0 H ILE A 110 -4.557 -0.111 0.341 1.00 0.00 H new ATOM 0 HA ILE A 110 -2.899 -1.187 -1.706 1.00 0.00 H new ATOM 0 HB ILE A 110 -5.326 -2.343 -0.264 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -2.406 -2.777 0.375 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -3.319 -1.469 1.103 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -4.367 -4.495 -0.907 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -4.773 -3.512 -2.334 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -3.080 -3.658 -1.808 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -3.252 -3.415 2.573 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -4.919 -3.090 2.042 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -3.993 -4.418 1.303 1.00 0.00 H new ATOM 1201 N LEU A 111 -4.339 -0.944 -3.736 1.00 0.00 N ATOM 1202 CA LEU A 111 -5.182 -0.851 -4.908 1.00 0.00 C ATOM 1203 C LEU A 111 -5.444 -2.231 -5.468 1.00 0.00 C ATOM 1204 O LEU A 111 -6.242 -2.389 -6.390 1.00 0.00 O ATOM 1205 CB LEU A 111 -4.564 0.018 -6.004 1.00 0.00 C ATOM 1206 CG LEU A 111 -4.637 1.526 -5.776 1.00 0.00 C ATOM 1207 CD1 LEU A 111 -6.056 1.953 -5.432 1.00 0.00 C ATOM 1208 CD2 LEU A 111 -3.672 1.941 -4.690 1.00 0.00 C ATOM 0 H LEU A 111 -3.337 -0.961 -3.924 1.00 0.00 H new ATOM 0 HA LEU A 111 -6.114 -0.383 -4.591 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -3.517 -0.263 -6.117 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -5.060 -0.212 -6.947 1.00 0.00 H new ATOM 0 HG LEU A 111 -4.351 2.028 -6.700 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -6.083 3.031 -5.274 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -6.724 1.689 -6.252 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -6.379 1.445 -4.523 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -3.736 3.019 -4.539 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -3.926 1.429 -3.762 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -2.657 1.675 -4.984 1.00 0.00 H new ATOM 1220 N GLU A 112 -4.785 -3.241 -4.909 1.00 0.00 N ATOM 1221 CA GLU A 112 -4.874 -4.561 -5.476 1.00 0.00 C ATOM 1222 C GLU A 112 -4.636 -5.604 -4.415 1.00 0.00 C ATOM 1223 O GLU A 112 -3.620 -5.578 -3.721 1.00 0.00 O ATOM 1224 CB GLU A 112 -3.861 -4.731 -6.607 1.00 0.00 C ATOM 1225 CG GLU A 112 -3.912 -6.104 -7.244 1.00 0.00 C ATOM 1226 CD GLU A 112 -5.221 -6.359 -7.964 1.00 0.00 C ATOM 1227 OE1 GLU A 112 -6.223 -6.672 -7.291 1.00 0.00 O ATOM 1228 OE2 GLU A 112 -5.256 -6.242 -9.205 1.00 0.00 O ATOM 0 H GLU A 112 -4.197 -3.164 -4.079 1.00 0.00 H new ATOM 0 HA GLU A 112 -5.877 -4.690 -5.883 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -4.046 -3.975 -7.370 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -2.858 -4.553 -6.219 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -3.087 -6.205 -7.949 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -3.769 -6.864 -6.475 1.00 0.00 H new ATOM 1235 N ILE A 113 -5.587 -6.497 -4.280 1.00 0.00 N ATOM 1236 CA ILE A 113 -5.451 -7.617 -3.386 1.00 0.00 C ATOM 1237 C ILE A 113 -5.519 -8.901 -4.171 1.00 0.00 C ATOM 1238 O ILE A 113 -6.554 -9.230 -4.755 1.00 0.00 O ATOM 1239 CB ILE A 113 -6.544 -7.632 -2.306 1.00 0.00 C ATOM 1240 CG1 ILE A 113 -6.308 -6.511 -1.306 1.00 0.00 C ATOM 1241 CG2 ILE A 113 -6.585 -8.978 -1.602 1.00 0.00 C ATOM 1242 CD1 ILE A 113 -7.181 -6.616 -0.087 1.00 0.00 C ATOM 0 H ILE A 113 -6.473 -6.466 -4.785 1.00 0.00 H new ATOM 0 HA ILE A 113 -4.486 -7.522 -2.888 1.00 0.00 H new ATOM 0 HB ILE A 113 -7.509 -7.472 -2.787 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -5.262 -6.520 -0.999 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -6.488 -5.553 -1.794 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -7.366 -8.967 -0.841 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -6.797 -9.762 -2.329 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -5.622 -9.171 -1.130 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -6.965 -5.788 0.588 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -8.229 -6.577 -0.385 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -6.983 -7.559 0.422 1.00 0.00 H new ATOM 1254 N VAL A 114 -4.423 -9.626 -4.203 1.00 0.00 N ATOM 1255 CA VAL A 114 -4.399 -10.887 -4.893 1.00 0.00 C ATOM 1256 C VAL A 114 -3.814 -11.964 -3.995 1.00 0.00 C ATOM 1257 O VAL A 114 -2.635 -11.923 -3.650 1.00 0.00 O ATOM 1258 CB VAL A 114 -3.608 -10.804 -6.226 1.00 0.00 C ATOM 1259 CG1 VAL A 114 -4.354 -9.955 -7.242 1.00 0.00 C ATOM 1260 CG2 VAL A 114 -2.215 -10.238 -6.005 1.00 0.00 C ATOM 0 H VAL A 114 -3.543 -9.362 -3.760 1.00 0.00 H new ATOM 0 HA VAL A 114 -5.428 -11.147 -5.142 1.00 0.00 H new ATOM 0 HB VAL A 114 -3.511 -11.818 -6.614 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -3.782 -9.910 -8.169 1.00 0.00 H new ATOM 0 HG12 VAL A 114 -5.330 -10.398 -7.439 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -4.485 -8.947 -6.848 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -1.686 -10.192 -6.957 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -2.292 -9.236 -5.584 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -1.667 -10.880 -5.315 1.00 0.00 H new ATOM 1270 N LYS A 115 -4.664 -12.888 -3.558 1.00 0.00 N ATOM 1271 CA LYS A 115 -4.210 -13.984 -2.726 1.00 0.00 C ATOM 1272 C LYS A 115 -3.096 -14.741 -3.431 1.00 0.00 C ATOM 1273 O LYS A 115 -3.253 -15.218 -4.557 1.00 0.00 O ATOM 1274 CB LYS A 115 -5.361 -14.922 -2.329 1.00 0.00 C ATOM 1275 CG LYS A 115 -5.868 -15.829 -3.437 1.00 0.00 C ATOM 1276 CD LYS A 115 -6.120 -17.237 -2.920 1.00 0.00 C ATOM 1277 CE LYS A 115 -4.827 -17.883 -2.445 1.00 0.00 C ATOM 1278 NZ LYS A 115 -5.040 -19.258 -1.933 1.00 0.00 N ATOM 0 H LYS A 115 -5.662 -12.896 -3.767 1.00 0.00 H new ATOM 0 HA LYS A 115 -3.818 -13.566 -1.799 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -5.032 -15.543 -1.496 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -6.193 -14.317 -1.967 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -6.789 -15.421 -3.853 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -5.139 -15.861 -4.247 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -6.837 -17.204 -2.100 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -6.565 -17.844 -3.709 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -4.113 -17.911 -3.269 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -4.384 -17.270 -1.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -4.132 -19.657 -1.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -5.700 -19.231 -1.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -5.438 -19.852 -2.688 1.00 0.00 H new ATOM 1292 N THR A 116 -1.964 -14.790 -2.761 1.00 0.00 N ATOM 1293 CA THR A 116 -0.741 -15.357 -3.297 1.00 0.00 C ATOM 1294 C THR A 116 -0.170 -14.467 -4.406 1.00 0.00 C ATOM 1295 O THR A 116 0.840 -13.787 -4.211 1.00 0.00 O ATOM 1296 CB THR A 116 -0.977 -16.785 -3.825 1.00 0.00 C ATOM 1297 OG1 THR A 116 -1.427 -17.632 -2.756 1.00 0.00 O ATOM 1298 CG2 THR A 116 0.287 -17.349 -4.441 1.00 0.00 C ATOM 0 H THR A 116 -1.864 -14.431 -1.811 1.00 0.00 H new ATOM 0 HA THR A 116 -0.015 -15.409 -2.486 1.00 0.00 H new ATOM 0 HB THR A 116 -1.744 -16.745 -4.599 1.00 0.00 H new ATOM 0 HG1 THR A 116 -1.577 -18.538 -3.098 1.00 0.00 H new ATOM 0 HG21 THR A 116 0.095 -18.358 -4.806 1.00 0.00 H new ATOM 0 HG22 THR A 116 0.601 -16.716 -5.271 1.00 0.00 H new ATOM 0 HG23 THR A 116 1.076 -17.379 -3.689 1.00 0.00 H new ATOM 1306 N ALA A 117 -0.858 -14.466 -5.542 1.00 0.00 N ATOM 1307 CA ALA A 117 -0.473 -13.713 -6.730 1.00 0.00 C ATOM 1308 C ALA A 117 -1.407 -14.109 -7.854 1.00 0.00 C ATOM 1309 O ALA A 117 -1.938 -13.272 -8.582 1.00 0.00 O ATOM 1310 CB ALA A 117 0.971 -13.994 -7.133 1.00 0.00 C ATOM 0 H ALA A 117 -1.718 -15.000 -5.665 1.00 0.00 H new ATOM 0 HA ALA A 117 -0.546 -12.646 -6.517 1.00 0.00 H new ATOM 0 HB1 ALA A 117 1.220 -13.415 -8.022 1.00 0.00 H new ATOM 0 HB2 ALA A 117 1.638 -13.712 -6.318 1.00 0.00 H new ATOM 0 HB3 ALA A 117 1.089 -15.056 -7.348 1.00 0.00 H new ATOM 1316 N GLU A 118 -1.610 -15.410 -7.965 1.00 0.00 N ATOM 1317 CA GLU A 118 -2.547 -15.976 -8.912 1.00 0.00 C ATOM 1318 C GLU A 118 -3.667 -16.674 -8.152 1.00 0.00 C ATOM 1319 O GLU A 118 -3.654 -16.690 -6.926 1.00 0.00 O ATOM 1320 CB GLU A 118 -1.827 -16.962 -9.833 1.00 0.00 C ATOM 1321 CG GLU A 118 -1.085 -18.057 -9.083 1.00 0.00 C ATOM 1322 CD GLU A 118 -0.369 -19.014 -10.010 1.00 0.00 C ATOM 1323 OE1 GLU A 118 0.793 -18.745 -10.366 1.00 0.00 O ATOM 1324 OE2 GLU A 118 -0.968 -20.046 -10.385 1.00 0.00 O ATOM 0 H GLU A 118 -1.126 -16.105 -7.397 1.00 0.00 H new ATOM 0 HA GLU A 118 -2.973 -15.183 -9.526 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -2.555 -17.420 -10.503 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -1.120 -16.415 -10.456 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -0.361 -17.603 -8.406 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -1.792 -18.614 -8.467 1.00 0.00 H new ATOM 1331 N THR A 119 -4.631 -17.219 -8.893 1.00 0.00 N ATOM 1332 CA THR A 119 -5.785 -17.963 -8.355 1.00 0.00 C ATOM 1333 C THR A 119 -6.737 -17.096 -7.516 1.00 0.00 C ATOM 1334 O THR A 119 -7.879 -17.489 -7.274 1.00 0.00 O ATOM 1335 CB THR A 119 -5.372 -19.249 -7.581 1.00 0.00 C ATOM 1336 OG1 THR A 119 -6.405 -20.233 -7.700 1.00 0.00 O ATOM 1337 CG2 THR A 119 -5.115 -18.989 -6.101 1.00 0.00 C ATOM 0 H THR A 119 -4.637 -17.158 -9.911 1.00 0.00 H new ATOM 0 HA THR A 119 -6.342 -18.278 -9.237 1.00 0.00 H new ATOM 0 HB THR A 119 -4.441 -19.601 -8.025 1.00 0.00 H new ATOM 0 HG1 THR A 119 -6.143 -21.043 -7.214 1.00 0.00 H new ATOM 0 HG21 THR A 119 -4.831 -19.921 -5.612 1.00 0.00 H new ATOM 0 HG22 THR A 119 -4.310 -18.262 -5.994 1.00 0.00 H new ATOM 0 HG23 THR A 119 -6.021 -18.598 -5.638 1.00 0.00 H new ATOM 1345 N VAL A 120 -6.265 -15.945 -7.051 1.00 0.00 N ATOM 1346 CA VAL A 120 -7.147 -14.928 -6.490 1.00 0.00 C ATOM 1347 C VAL A 120 -8.308 -14.623 -7.436 1.00 0.00 C ATOM 1348 O VAL A 120 -8.122 -14.494 -8.649 1.00 0.00 O ATOM 1349 CB VAL A 120 -6.382 -13.620 -6.209 1.00 0.00 C ATOM 1350 CG1 VAL A 120 -5.644 -13.156 -7.454 1.00 0.00 C ATOM 1351 CG2 VAL A 120 -7.324 -12.530 -5.702 1.00 0.00 C ATOM 0 H VAL A 120 -5.277 -15.693 -7.051 1.00 0.00 H new ATOM 0 HA VAL A 120 -7.536 -15.328 -5.554 1.00 0.00 H new ATOM 0 HB VAL A 120 -5.649 -13.819 -5.427 1.00 0.00 H new ATOM 0 HG11 VAL A 120 -5.110 -12.231 -7.237 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -4.933 -13.922 -7.762 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -6.360 -12.981 -8.257 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -6.757 -11.619 -5.512 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -8.089 -12.332 -6.453 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -7.799 -12.861 -4.779 1.00 0.00 H new ATOM 1361 N GLU A 121 -9.494 -14.498 -6.871 1.00 0.00 N ATOM 1362 CA GLU A 121 -10.681 -14.185 -7.643 1.00 0.00 C ATOM 1363 C GLU A 121 -11.277 -12.889 -7.115 1.00 0.00 C ATOM 1364 O GLU A 121 -11.390 -12.705 -5.904 1.00 0.00 O ATOM 1365 CB GLU A 121 -11.695 -15.329 -7.545 1.00 0.00 C ATOM 1366 CG GLU A 121 -11.182 -16.660 -8.086 1.00 0.00 C ATOM 1367 CD GLU A 121 -11.090 -16.695 -9.602 1.00 0.00 C ATOM 1368 OE1 GLU A 121 -12.122 -16.947 -10.261 1.00 0.00 O ATOM 1369 OE2 GLU A 121 -9.985 -16.500 -10.146 1.00 0.00 O ATOM 0 H GLU A 121 -9.661 -14.610 -5.871 1.00 0.00 H new ATOM 0 HA GLU A 121 -10.419 -14.062 -8.694 1.00 0.00 H new ATOM 0 HB2 GLU A 121 -11.981 -15.459 -6.501 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -12.596 -15.050 -8.091 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -10.197 -16.861 -7.664 1.00 0.00 H new ATOM 0 HG3 GLU A 121 -11.842 -17.460 -7.750 1.00 0.00 H new ATOM 1376 N TRP A 122 -11.623 -11.981 -8.007 1.00 0.00 N ATOM 1377 CA TRP A 122 -12.116 -10.679 -7.598 1.00 0.00 C ATOM 1378 C TRP A 122 -13.564 -10.510 -8.031 1.00 0.00 C ATOM 1379 O TRP A 122 -13.800 -10.219 -9.221 1.00 0.00 O ATOM 1380 CB TRP A 122 -11.243 -9.568 -8.189 1.00 0.00 C ATOM 1381 CG TRP A 122 -11.263 -8.306 -7.380 1.00 0.00 C ATOM 1382 CD1 TRP A 122 -11.818 -7.110 -7.728 1.00 0.00 C ATOM 1383 CD2 TRP A 122 -10.702 -8.122 -6.077 1.00 0.00 C ATOM 1384 NE1 TRP A 122 -11.636 -6.192 -6.718 1.00 0.00 N ATOM 1385 CE2 TRP A 122 -10.953 -6.793 -5.693 1.00 0.00 C ATOM 1386 CE3 TRP A 122 -10.014 -8.956 -5.200 1.00 0.00 C ATOM 1387 CZ2 TRP A 122 -10.534 -6.281 -4.467 1.00 0.00 C ATOM 1388 CZ3 TRP A 122 -9.600 -8.454 -3.987 1.00 0.00 C ATOM 1389 CH2 TRP A 122 -9.862 -7.127 -3.625 1.00 0.00 C ATOM 1390 OXT TRP A 122 -14.465 -10.698 -7.188 1.00 0.00 O ATOM 0 H TRP A 122 -11.572 -12.119 -9.016 1.00 0.00 H new ATOM 0 HA TRP A 122 -12.068 -10.610 -6.511 1.00 0.00 H new ATOM 0 HB2 TRP A 122 -10.216 -9.925 -8.268 1.00 0.00 H new ATOM 0 HB3 TRP A 122 -11.582 -9.348 -9.201 1.00 0.00 H new ATOM 0 HD1 TRP A 122 -12.326 -6.912 -8.660 1.00 0.00 H new ATOM 0 HE1 TRP A 122 -11.957 -5.224 -6.731 1.00 0.00 H new ATOM 0 HE3 TRP A 122 -9.808 -9.982 -5.467 1.00 0.00 H new ATOM 0 HZ2 TRP A 122 -10.732 -5.256 -4.191 1.00 0.00 H new ATOM 0 HZ3 TRP A 122 -9.064 -9.095 -3.303 1.00 0.00 H new ATOM 0 HH2 TRP A 122 -9.528 -6.764 -2.664 1.00 0.00 H new TER 1401 TRP A 122