USER MOD reduce.3.24.130724 H: found=0, std=0, add=721, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 721 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 62 ASN : amide:sc= -3.31! C(o=-4!,f=-2!) USER MOD Set 1.2: A 83 GLN : amide:sc= -0.704 K(o=-4,f=-7.8!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ -140:sc= -4.07! (180deg=-8.2!) USER MOD Single : A 14 ASN : amide:sc= -0.213 K(o=-0.21,f=-1.3!) USER MOD Single : A 16 ASN : amide:sc= -0.0585 K(o=-0.058,f=1.1) USER MOD Single : A 17 SER OG : rot 180:sc= 0.0447 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot -150:sc= -1.87 USER MOD Single : A 27 ASN : amide:sc= 0.0998 K(o=0.1,f=-0.85) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.24 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= -0.103 X(o=-0.1,f=-0.08) USER MOD Single : A 36 TYR OH : rot 180:sc= -0.176 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= -0.539 X(o=-0.54,f=-0.044) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= -1.98 K(o=-2,f=-1.2) USER MOD Single : A 54 LYS NZ :NH3+ -135:sc= -0.296 (180deg=-1.32!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= -1.11 USER MOD Single : A 71 HIS : no HE2:sc= -6.83! C(o=-6.8!,f=-5.1!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -4.93! C(o=-4.9!,f=-9.9!) USER MOD Single : A 77 THR OG1 : rot 1:sc= -2.88 USER MOD Single : A 80 ASN : amide:sc= 1 K(o=1,f=-0.56) USER MOD Single : A 81 THR OG1 : rot -89:sc= 0.195 USER MOD Single : A 86 HIS : no HD1:sc= -0.353 X(o=-0.35,f=-0.27) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot -19:sc= 0.516 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -21.609 1.761 3.554 1.00 15.00 N ATOM 2 CA PRO A 1 -20.312 2.031 4.232 1.00 15.00 C ATOM 3 C PRO A 1 -19.328 0.875 4.056 1.00 15.00 C ATOM 4 O PRO A 1 -18.608 0.511 4.986 1.00 15.00 O ATOM 5 CB PRO A 1 -20.607 2.264 5.712 1.00 15.00 C ATOM 6 CG PRO A 1 -22.064 1.975 5.850 1.00 15.00 C ATOM 7 CD PRO A 1 -22.671 2.180 4.483 1.00 15.00 C ATOM 0 H2 PRO A 1 -21.698 0.771 3.326 1.00 15.00 H new ATOM 0 H3 PRO A 1 -21.672 2.277 2.676 1.00 15.00 H new ATOM 0 HA PRO A 1 -19.842 2.908 3.787 1.00 15.00 H new ATOM 0 HB2 PRO A 1 -20.010 1.607 6.344 1.00 15.00 H new ATOM 0 HB3 PRO A 1 -20.375 3.287 6.007 1.00 15.00 H new ATOM 0 HG2 PRO A 1 -22.226 0.955 6.198 1.00 15.00 H new ATOM 0 HG3 PRO A 1 -22.524 2.638 6.582 1.00 15.00 H new ATOM 0 HD2 PRO A 1 -23.573 1.582 4.353 1.00 15.00 H new ATOM 0 HD3 PRO A 1 -22.953 3.221 4.324 1.00 15.00 H new ATOM 17 N LYS A 2 -19.303 0.303 2.857 1.00 15.00 N ATOM 18 CA LYS A 2 -18.410 -0.809 2.556 1.00 15.00 C ATOM 19 C LYS A 2 -18.030 -0.815 1.075 1.00 15.00 C ATOM 20 O LYS A 2 -18.811 -1.255 0.231 1.00 15.00 O ATOM 21 CB LYS A 2 -19.074 -2.137 2.928 1.00 15.00 C ATOM 22 CG LYS A 2 -18.837 -2.553 4.371 1.00 15.00 C ATOM 23 CD LYS A 2 -20.126 -2.996 5.044 1.00 15.00 C ATOM 24 CE LYS A 2 -19.910 -3.298 6.519 1.00 15.00 C ATOM 25 NZ LYS A 2 -20.425 -2.207 7.391 1.00 15.00 N ATOM 0 H LYS A 2 -19.893 0.592 2.076 1.00 15.00 H new ATOM 0 HA LYS A 2 -17.502 -0.685 3.147 1.00 15.00 H new ATOM 0 HB2 LYS A 2 -20.147 -2.059 2.753 1.00 15.00 H new ATOM 0 HB3 LYS A 2 -18.699 -2.919 2.267 1.00 15.00 H new ATOM 0 HG2 LYS A 2 -18.112 -3.366 4.402 1.00 15.00 H new ATOM 0 HG3 LYS A 2 -18.405 -1.719 4.924 1.00 15.00 H new ATOM 0 HD2 LYS A 2 -20.880 -2.216 4.938 1.00 15.00 H new ATOM 0 HD3 LYS A 2 -20.513 -3.883 4.543 1.00 15.00 H new ATOM 0 HE2 LYS A 2 -20.409 -4.233 6.775 1.00 15.00 H new ATOM 0 HE3 LYS A 2 -18.846 -3.442 6.708 1.00 15.00 H new ATOM 0 HZ1 LYS A 2 -20.259 -2.452 8.388 1.00 15.00 H new ATOM 0 HZ2 LYS A 2 -19.932 -1.320 7.165 1.00 15.00 H new ATOM 0 HZ3 LYS A 2 -21.445 -2.086 7.230 1.00 15.00 H new ATOM 39 N PRO A 3 -16.825 -0.322 0.735 1.00 15.00 N ATOM 40 CA PRO A 3 -16.359 -0.275 -0.655 1.00 15.00 C ATOM 41 C PRO A 3 -16.239 -1.666 -1.277 1.00 15.00 C ATOM 42 O PRO A 3 -17.146 -2.119 -1.976 1.00 15.00 O ATOM 43 CB PRO A 3 -14.986 0.404 -0.561 1.00 15.00 C ATOM 44 CG PRO A 3 -14.565 0.240 0.860 1.00 15.00 C ATOM 45 CD PRO A 3 -15.828 0.228 1.671 1.00 15.00 C ATOM 0 HA PRO A 3 -17.059 0.259 -1.298 1.00 15.00 H new ATOM 0 HB2 PRO A 3 -14.270 -0.060 -1.240 1.00 15.00 H new ATOM 0 HB3 PRO A 3 -15.048 1.457 -0.834 1.00 15.00 H new ATOM 0 HG2 PRO A 3 -14.006 -0.686 0.996 1.00 15.00 H new ATOM 0 HG3 PRO A 3 -13.911 1.056 1.169 1.00 15.00 H new ATOM 0 HD2 PRO A 3 -15.728 -0.391 2.562 1.00 15.00 H new ATOM 0 HD3 PRO A 3 -16.100 1.229 2.007 1.00 15.00 H new ATOM 53 N GLY A 4 -15.120 -2.342 -1.024 1.00 15.00 N ATOM 54 CA GLY A 4 -14.917 -3.671 -1.573 1.00 15.00 C ATOM 55 C GLY A 4 -14.177 -3.648 -2.897 1.00 15.00 C ATOM 56 O GLY A 4 -13.389 -4.547 -3.191 1.00 15.00 O ATOM 0 H GLY A 4 -14.353 -1.993 -0.450 1.00 15.00 H new ATOM 0 HA2 GLY A 4 -14.357 -4.274 -0.858 1.00 15.00 H new ATOM 0 HA3 GLY A 4 -15.884 -4.155 -1.710 1.00 15.00 H new ATOM 60 N ASP A 5 -14.430 -2.617 -3.698 1.00 15.00 N ATOM 61 CA ASP A 5 -13.783 -2.480 -4.998 1.00 15.00 C ATOM 62 C ASP A 5 -12.277 -2.350 -4.849 1.00 15.00 C ATOM 63 O ASP A 5 -11.767 -1.998 -3.786 1.00 15.00 O ATOM 64 CB ASP A 5 -14.342 -1.268 -5.746 1.00 15.00 C ATOM 65 CG ASP A 5 -15.795 -1.452 -6.139 1.00 15.00 C ATOM 66 OD1 ASP A 5 -16.678 -1.149 -5.309 1.00 15.00 O ATOM 67 OD2 ASP A 5 -16.050 -1.898 -7.278 1.00 15.00 O ATOM 0 H ASP A 5 -15.079 -1.864 -3.469 1.00 15.00 H new ATOM 0 HA ASP A 5 -13.993 -3.381 -5.574 1.00 15.00 H new ATOM 0 HB2 ASP A 5 -14.247 -0.382 -5.119 1.00 15.00 H new ATOM 0 HB3 ASP A 5 -13.746 -1.090 -6.641 1.00 15.00 H new ATOM 72 N ILE A 6 -11.576 -2.651 -5.930 1.00 15.00 N ATOM 73 CA ILE A 6 -10.126 -2.591 -5.953 1.00 15.00 C ATOM 74 C ILE A 6 -9.643 -1.355 -6.707 1.00 15.00 C ATOM 75 O ILE A 6 -10.272 -0.918 -7.670 1.00 15.00 O ATOM 76 CB ILE A 6 -9.556 -3.864 -6.618 1.00 15.00 C ATOM 77 CG1 ILE A 6 -9.132 -4.875 -5.553 1.00 15.00 C ATOM 78 CG2 ILE A 6 -8.382 -3.538 -7.540 1.00 15.00 C ATOM 79 CD1 ILE A 6 -10.258 -5.288 -4.629 1.00 15.00 C ATOM 0 H ILE A 6 -11.996 -2.943 -6.813 1.00 15.00 H new ATOM 0 HA ILE A 6 -9.771 -2.528 -4.924 1.00 15.00 H new ATOM 0 HB ILE A 6 -10.345 -4.302 -7.229 1.00 15.00 H new ATOM 0 HG12 ILE A 6 -8.732 -5.762 -6.044 1.00 15.00 H new ATOM 0 HG13 ILE A 6 -8.324 -4.448 -4.959 1.00 15.00 H new ATOM 0 HG21 ILE A 6 -8.007 -4.457 -7.990 1.00 15.00 H new ATOM 0 HG22 ILE A 6 -8.714 -2.859 -8.325 1.00 15.00 H new ATOM 0 HG23 ILE A 6 -7.587 -3.065 -6.963 1.00 15.00 H new ATOM 0 HD11 ILE A 6 -9.885 -6.006 -3.899 1.00 15.00 H new ATOM 0 HD12 ILE A 6 -10.643 -4.410 -4.110 1.00 15.00 H new ATOM 0 HD13 ILE A 6 -11.058 -5.745 -5.212 1.00 15.00 H new ATOM 91 N PHE A 7 -8.512 -0.810 -6.276 1.00 15.00 N ATOM 92 CA PHE A 7 -7.939 0.357 -6.929 1.00 15.00 C ATOM 93 C PHE A 7 -6.421 0.237 -6.996 1.00 15.00 C ATOM 94 O PHE A 7 -5.829 -0.597 -6.315 1.00 15.00 O ATOM 95 CB PHE A 7 -8.354 1.646 -6.206 1.00 15.00 C ATOM 96 CG PHE A 7 -7.533 1.966 -4.987 1.00 15.00 C ATOM 97 CD1 PHE A 7 -6.249 2.475 -5.112 1.00 15.00 C ATOM 98 CD2 PHE A 7 -8.050 1.768 -3.717 1.00 15.00 C ATOM 99 CE1 PHE A 7 -5.498 2.779 -3.994 1.00 15.00 C ATOM 100 CE2 PHE A 7 -7.301 2.068 -2.595 1.00 15.00 C ATOM 101 CZ PHE A 7 -6.024 2.575 -2.735 1.00 15.00 C ATOM 0 H PHE A 7 -7.976 -1.157 -5.480 1.00 15.00 H new ATOM 0 HA PHE A 7 -8.325 0.405 -7.947 1.00 15.00 H new ATOM 0 HB2 PHE A 7 -8.284 2.479 -6.905 1.00 15.00 H new ATOM 0 HB3 PHE A 7 -9.401 1.563 -5.913 1.00 15.00 H new ATOM 0 HD1 PHE A 7 -5.832 2.635 -6.095 1.00 15.00 H new ATOM 0 HD2 PHE A 7 -9.049 1.375 -3.603 1.00 15.00 H new ATOM 0 HE1 PHE A 7 -4.500 3.176 -4.105 1.00 15.00 H new ATOM 0 HE2 PHE A 7 -7.714 1.906 -1.610 1.00 15.00 H new ATOM 0 HZ PHE A 7 -5.438 2.812 -1.860 1.00 15.00 H new ATOM 111 N GLU A 8 -5.799 1.064 -7.825 1.00 15.00 N ATOM 112 CA GLU A 8 -4.350 1.033 -7.982 1.00 15.00 C ATOM 113 C GLU A 8 -3.742 2.424 -7.853 1.00 15.00 C ATOM 114 O GLU A 8 -4.319 3.417 -8.298 1.00 15.00 O ATOM 115 CB GLU A 8 -3.983 0.434 -9.334 1.00 15.00 C ATOM 116 CG GLU A 8 -4.687 1.096 -10.499 1.00 15.00 C ATOM 117 CD GLU A 8 -5.075 0.112 -11.585 1.00 15.00 C ATOM 118 OE1 GLU A 8 -4.187 -0.290 -12.366 1.00 15.00 O ATOM 119 OE2 GLU A 8 -6.266 -0.255 -11.655 1.00 15.00 O ATOM 0 H GLU A 8 -6.272 1.763 -8.398 1.00 15.00 H new ATOM 0 HA GLU A 8 -3.944 0.412 -7.184 1.00 15.00 H new ATOM 0 HB2 GLU A 8 -2.906 0.514 -9.478 1.00 15.00 H new ATOM 0 HB3 GLU A 8 -4.226 -0.629 -9.330 1.00 15.00 H new ATOM 0 HG2 GLU A 8 -5.582 1.602 -10.137 1.00 15.00 H new ATOM 0 HG3 GLU A 8 -4.037 1.861 -10.923 1.00 15.00 H new ATOM 126 N VAL A 9 -2.563 2.472 -7.254 1.00 15.00 N ATOM 127 CA VAL A 9 -1.833 3.719 -7.065 1.00 15.00 C ATOM 128 C VAL A 9 -0.733 3.833 -8.110 1.00 15.00 C ATOM 129 O VAL A 9 0.203 3.035 -8.129 1.00 15.00 O ATOM 130 CB VAL A 9 -1.237 3.828 -5.630 1.00 15.00 C ATOM 131 CG1 VAL A 9 -1.343 2.501 -4.893 1.00 15.00 C ATOM 132 CG2 VAL A 9 0.213 4.301 -5.649 1.00 15.00 C ATOM 0 H VAL A 9 -2.084 1.650 -6.885 1.00 15.00 H new ATOM 0 HA VAL A 9 -2.535 4.544 -7.187 1.00 15.00 H new ATOM 0 HB VAL A 9 -1.826 4.575 -5.099 1.00 15.00 H new ATOM 0 HG11 VAL A 9 -0.920 2.605 -3.894 1.00 15.00 H new ATOM 0 HG12 VAL A 9 -2.391 2.211 -4.815 1.00 15.00 H new ATOM 0 HG13 VAL A 9 -0.795 1.735 -5.442 1.00 15.00 H new ATOM 0 HG21 VAL A 9 0.589 4.363 -4.628 1.00 15.00 H new ATOM 0 HG22 VAL A 9 0.819 3.595 -6.216 1.00 15.00 H new ATOM 0 HG23 VAL A 9 0.269 5.284 -6.116 1.00 15.00 H new ATOM 142 N GLU A 10 -0.864 4.815 -8.988 1.00 15.00 N ATOM 143 CA GLU A 10 0.107 5.021 -10.050 1.00 15.00 C ATOM 144 C GLU A 10 0.995 6.232 -9.778 1.00 15.00 C ATOM 145 O GLU A 10 0.902 7.251 -10.463 1.00 15.00 O ATOM 146 CB GLU A 10 -0.618 5.182 -11.380 1.00 15.00 C ATOM 147 CG GLU A 10 0.312 5.334 -12.572 1.00 15.00 C ATOM 148 CD GLU A 10 1.174 4.107 -12.799 1.00 15.00 C ATOM 149 OE1 GLU A 10 1.995 3.786 -11.914 1.00 15.00 O ATOM 150 OE2 GLU A 10 1.028 3.467 -13.862 1.00 15.00 O ATOM 0 H GLU A 10 -1.635 5.483 -8.986 1.00 15.00 H new ATOM 0 HA GLU A 10 0.756 4.146 -10.091 1.00 15.00 H new ATOM 0 HB2 GLU A 10 -1.260 4.316 -11.540 1.00 15.00 H new ATOM 0 HB3 GLU A 10 -1.268 6.055 -11.325 1.00 15.00 H new ATOM 0 HG2 GLU A 10 -0.279 5.529 -13.467 1.00 15.00 H new ATOM 0 HG3 GLU A 10 0.954 6.201 -12.419 1.00 15.00 H new ATOM 157 N LEU A 11 1.863 6.105 -8.783 1.00 15.00 N ATOM 158 CA LEU A 11 2.783 7.179 -8.427 1.00 15.00 C ATOM 159 C LEU A 11 4.066 7.068 -9.241 1.00 15.00 C ATOM 160 O LEU A 11 4.361 6.017 -9.803 1.00 15.00 O ATOM 161 CB LEU A 11 3.111 7.132 -6.934 1.00 15.00 C ATOM 162 CG LEU A 11 3.347 8.492 -6.271 1.00 15.00 C ATOM 163 CD1 LEU A 11 2.162 9.419 -6.503 1.00 15.00 C ATOM 164 CD2 LEU A 11 3.606 8.317 -4.781 1.00 15.00 C ATOM 0 H LEU A 11 1.950 5.268 -8.207 1.00 15.00 H new ATOM 0 HA LEU A 11 2.301 8.131 -8.651 1.00 15.00 H new ATOM 0 HB2 LEU A 11 2.294 6.631 -6.415 1.00 15.00 H new ATOM 0 HB3 LEU A 11 4.001 6.519 -6.794 1.00 15.00 H new ATOM 0 HG LEU A 11 4.227 8.947 -6.725 1.00 15.00 H new ATOM 0 HD11 LEU A 11 2.352 10.379 -6.023 1.00 15.00 H new ATOM 0 HD12 LEU A 11 2.022 9.570 -7.573 1.00 15.00 H new ATOM 0 HD13 LEU A 11 1.263 8.973 -6.079 1.00 15.00 H new ATOM 0 HD21 LEU A 11 3.772 9.292 -4.324 1.00 15.00 H new ATOM 0 HD22 LEU A 11 2.744 7.840 -4.315 1.00 15.00 H new ATOM 0 HD23 LEU A 11 4.488 7.693 -4.636 1.00 15.00 H new ATOM 176 N ALA A 12 4.824 8.154 -9.303 1.00 15.00 N ATOM 177 CA ALA A 12 6.076 8.164 -10.052 1.00 15.00 C ATOM 178 C ALA A 12 7.267 7.907 -9.136 1.00 15.00 C ATOM 179 O ALA A 12 7.751 8.818 -8.464 1.00 15.00 O ATOM 180 CB ALA A 12 6.245 9.487 -10.784 1.00 15.00 C ATOM 0 H ALA A 12 4.596 9.037 -8.846 1.00 15.00 H new ATOM 0 HA ALA A 12 6.036 7.359 -10.786 1.00 15.00 H new ATOM 0 HB1 ALA A 12 7.184 9.479 -11.338 1.00 15.00 H new ATOM 0 HB2 ALA A 12 5.416 9.628 -11.477 1.00 15.00 H new ATOM 0 HB3 ALA A 12 6.257 10.303 -10.062 1.00 15.00 H new ATOM 186 N LYS A 13 7.736 6.662 -9.109 1.00 15.00 N ATOM 187 CA LYS A 13 8.875 6.282 -8.272 1.00 15.00 C ATOM 188 C LYS A 13 10.179 6.964 -8.702 1.00 15.00 C ATOM 189 O LYS A 13 11.266 6.439 -8.463 1.00 15.00 O ATOM 190 CB LYS A 13 9.063 4.764 -8.287 1.00 15.00 C ATOM 191 CG LYS A 13 10.141 4.258 -7.333 1.00 15.00 C ATOM 192 CD LYS A 13 10.272 5.133 -6.091 1.00 15.00 C ATOM 193 CE LYS A 13 9.072 4.983 -5.169 1.00 15.00 C ATOM 194 NZ LYS A 13 8.316 6.258 -5.027 1.00 15.00 N ATOM 0 H LYS A 13 7.345 5.896 -9.658 1.00 15.00 H new ATOM 0 HA LYS A 13 8.646 6.620 -7.261 1.00 15.00 H new ATOM 0 HB2 LYS A 13 8.116 4.289 -8.032 1.00 15.00 H new ATOM 0 HB3 LYS A 13 9.314 4.450 -9.300 1.00 15.00 H new ATOM 0 HG2 LYS A 13 9.907 3.237 -7.032 1.00 15.00 H new ATOM 0 HG3 LYS A 13 11.098 4.225 -7.854 1.00 15.00 H new ATOM 0 HD2 LYS A 13 11.181 4.866 -5.552 1.00 15.00 H new ATOM 0 HD3 LYS A 13 10.373 6.176 -6.390 1.00 15.00 H new ATOM 0 HE2 LYS A 13 8.410 4.210 -5.559 1.00 15.00 H new ATOM 0 HE3 LYS A 13 9.408 4.649 -4.187 1.00 15.00 H new ATOM 0 HZ1 LYS A 13 8.014 6.374 -4.039 1.00 15.00 H new ATOM 0 HZ2 LYS A 13 8.926 7.055 -5.298 1.00 15.00 H new ATOM 0 HZ3 LYS A 13 7.479 6.236 -5.645 1.00 15.00 H new ATOM 208 N ASN A 14 10.073 8.128 -9.327 1.00 15.00 N ATOM 209 CA ASN A 14 11.249 8.865 -9.775 1.00 15.00 C ATOM 210 C ASN A 14 11.403 10.160 -8.985 1.00 15.00 C ATOM 211 O ASN A 14 10.414 10.760 -8.564 1.00 15.00 O ATOM 212 CB ASN A 14 11.146 9.174 -11.270 1.00 15.00 C ATOM 213 CG ASN A 14 11.843 8.134 -12.125 1.00 15.00 C ATOM 214 OD1 ASN A 14 12.857 7.561 -11.723 1.00 15.00 O ATOM 215 ND2 ASN A 14 11.303 7.884 -13.312 1.00 15.00 N ATOM 0 H ASN A 14 9.185 8.584 -9.536 1.00 15.00 H new ATOM 0 HA ASN A 14 12.128 8.244 -9.602 1.00 15.00 H new ATOM 0 HB2 ASN A 14 10.095 9.230 -11.555 1.00 15.00 H new ATOM 0 HB3 ASN A 14 11.582 10.153 -11.467 1.00 15.00 H new ATOM 0 HD21 ASN A 14 11.729 7.194 -13.931 1.00 15.00 H new ATOM 0 HD22 ASN A 14 10.462 8.382 -13.605 1.00 15.00 H new ATOM 222 N ASP A 15 12.651 10.583 -8.783 1.00 15.00 N ATOM 223 CA ASP A 15 12.950 11.809 -8.038 1.00 15.00 C ATOM 224 C ASP A 15 12.934 11.560 -6.530 1.00 15.00 C ATOM 225 O ASP A 15 13.830 12.005 -5.812 1.00 15.00 O ATOM 226 CB ASP A 15 11.959 12.922 -8.395 1.00 15.00 C ATOM 227 CG ASP A 15 12.629 14.277 -8.508 1.00 15.00 C ATOM 228 OD1 ASP A 15 13.001 14.845 -7.460 1.00 15.00 O ATOM 229 OD2 ASP A 15 12.783 14.771 -9.645 1.00 15.00 O ATOM 0 H ASP A 15 13.477 10.092 -9.127 1.00 15.00 H new ATOM 0 HA ASP A 15 13.953 12.127 -8.324 1.00 15.00 H new ATOM 0 HB2 ASP A 15 11.471 12.681 -9.339 1.00 15.00 H new ATOM 0 HB3 ASP A 15 11.179 12.968 -7.635 1.00 15.00 H new ATOM 234 N ASN A 16 11.916 10.849 -6.054 1.00 15.00 N ATOM 235 CA ASN A 16 11.793 10.549 -4.632 1.00 15.00 C ATOM 236 C ASN A 16 10.968 9.284 -4.414 1.00 15.00 C ATOM 237 O ASN A 16 10.162 8.902 -5.262 1.00 15.00 O ATOM 238 CB ASN A 16 11.151 11.727 -3.894 1.00 15.00 C ATOM 239 CG ASN A 16 12.098 12.372 -2.901 1.00 15.00 C ATOM 240 OD1 ASN A 16 13.284 12.546 -3.180 1.00 15.00 O ATOM 241 ND2 ASN A 16 11.577 12.730 -1.733 1.00 15.00 N ATOM 0 H ASN A 16 11.165 10.470 -6.632 1.00 15.00 H new ATOM 0 HA ASN A 16 12.793 10.382 -4.232 1.00 15.00 H new ATOM 0 HB2 ASN A 16 10.826 12.473 -4.619 1.00 15.00 H new ATOM 0 HB3 ASN A 16 10.259 11.382 -3.370 1.00 15.00 H new ATOM 0 HD21 ASN A 16 12.166 13.168 -1.025 1.00 15.00 H new ATOM 0 HD22 ASN A 16 10.588 12.567 -1.544 1.00 15.00 H new ATOM 248 N SER A 17 11.175 8.640 -3.270 1.00 15.00 N ATOM 249 CA SER A 17 10.451 7.418 -2.938 1.00 15.00 C ATOM 250 C SER A 17 9.116 7.746 -2.281 1.00 15.00 C ATOM 251 O SER A 17 8.605 8.857 -2.416 1.00 15.00 O ATOM 252 CB SER A 17 11.282 6.543 -2.000 1.00 15.00 C ATOM 253 OG SER A 17 12.601 7.044 -1.862 1.00 15.00 O ATOM 0 H SER A 17 11.838 8.944 -2.557 1.00 15.00 H new ATOM 0 HA SER A 17 10.265 6.874 -3.864 1.00 15.00 H new ATOM 0 HB2 SER A 17 10.803 6.498 -1.022 1.00 15.00 H new ATOM 0 HB3 SER A 17 11.316 5.524 -2.385 1.00 15.00 H new ATOM 0 HG SER A 17 13.109 6.466 -1.255 1.00 15.00 H new ATOM 259 N LEU A 18 8.555 6.777 -1.565 1.00 15.00 N ATOM 260 CA LEU A 18 7.284 6.979 -0.891 1.00 15.00 C ATOM 261 C LEU A 18 7.490 7.664 0.457 1.00 15.00 C ATOM 262 O LEU A 18 8.581 8.146 0.763 1.00 15.00 O ATOM 263 CB LEU A 18 6.550 5.643 -0.703 1.00 15.00 C ATOM 264 CG LEU A 18 6.053 4.978 -1.992 1.00 15.00 C ATOM 265 CD1 LEU A 18 5.458 6.009 -2.940 1.00 15.00 C ATOM 266 CD2 LEU A 18 7.181 4.214 -2.669 1.00 15.00 C ATOM 0 H LEU A 18 8.960 5.850 -1.439 1.00 15.00 H new ATOM 0 HA LEU A 18 6.669 7.626 -1.517 1.00 15.00 H new ATOM 0 HB2 LEU A 18 7.218 4.950 -0.191 1.00 15.00 H new ATOM 0 HB3 LEU A 18 5.696 5.807 -0.046 1.00 15.00 H new ATOM 0 HG LEU A 18 5.268 4.269 -1.728 1.00 15.00 H new ATOM 0 HD11 LEU A 18 5.113 5.513 -3.847 1.00 15.00 H new ATOM 0 HD12 LEU A 18 4.617 6.506 -2.456 1.00 15.00 H new ATOM 0 HD13 LEU A 18 6.217 6.748 -3.197 1.00 15.00 H new ATOM 0 HD21 LEU A 18 6.809 3.749 -3.582 1.00 15.00 H new ATOM 0 HD22 LEU A 18 7.990 4.902 -2.916 1.00 15.00 H new ATOM 0 HD23 LEU A 18 7.554 3.443 -1.995 1.00 15.00 H new ATOM 278 N GLY A 19 6.432 7.703 1.256 1.00 15.00 N ATOM 279 CA GLY A 19 6.499 8.329 2.560 1.00 15.00 C ATOM 280 C GLY A 19 5.378 7.863 3.453 1.00 15.00 C ATOM 281 O GLY A 19 4.778 8.653 4.177 1.00 15.00 O ATOM 0 H GLY A 19 5.521 7.308 1.021 1.00 15.00 H new ATOM 0 HA2 GLY A 19 7.457 8.099 3.027 1.00 15.00 H new ATOM 0 HA3 GLY A 19 6.450 9.412 2.448 1.00 15.00 H new ATOM 285 N ILE A 20 5.081 6.576 3.375 1.00 15.00 N ATOM 286 CA ILE A 20 4.014 5.988 4.163 1.00 15.00 C ATOM 287 C ILE A 20 4.550 5.015 5.210 1.00 15.00 C ATOM 288 O ILE A 20 5.435 4.207 4.928 1.00 15.00 O ATOM 289 CB ILE A 20 3.003 5.262 3.247 1.00 15.00 C ATOM 290 CG1 ILE A 20 1.600 5.816 3.477 1.00 15.00 C ATOM 291 CG2 ILE A 20 3.030 3.764 3.490 1.00 15.00 C ATOM 292 CD1 ILE A 20 0.491 4.815 3.254 1.00 15.00 C ATOM 0 H ILE A 20 5.569 5.916 2.769 1.00 15.00 H new ATOM 0 HA ILE A 20 3.512 6.803 4.685 1.00 15.00 H new ATOM 0 HB ILE A 20 3.287 5.439 2.210 1.00 15.00 H new ATOM 0 HG12 ILE A 20 1.534 6.192 4.498 1.00 15.00 H new ATOM 0 HG13 ILE A 20 1.445 6.666 2.813 1.00 15.00 H new ATOM 0 HG21 ILE A 20 2.310 3.276 2.833 1.00 15.00 H new ATOM 0 HG22 ILE A 20 4.029 3.380 3.283 1.00 15.00 H new ATOM 0 HG23 ILE A 20 2.771 3.559 4.529 1.00 15.00 H new ATOM 0 HD11 ILE A 20 -0.472 5.291 3.439 1.00 15.00 H new ATOM 0 HD12 ILE A 20 0.527 4.456 2.226 1.00 15.00 H new ATOM 0 HD13 ILE A 20 0.617 3.974 3.936 1.00 15.00 H new ATOM 304 N SER A 21 3.971 5.067 6.400 1.00 15.00 N ATOM 305 CA SER A 21 4.347 4.157 7.470 1.00 15.00 C ATOM 306 C SER A 21 3.365 2.991 7.461 1.00 15.00 C ATOM 307 O SER A 21 2.205 3.146 7.843 1.00 15.00 O ATOM 308 CB SER A 21 4.334 4.874 8.823 1.00 15.00 C ATOM 309 OG SER A 21 4.542 3.961 9.887 1.00 15.00 O ATOM 0 H SER A 21 3.238 5.731 6.649 1.00 15.00 H new ATOM 0 HA SER A 21 5.361 3.791 7.312 1.00 15.00 H new ATOM 0 HB2 SER A 21 5.110 5.639 8.840 1.00 15.00 H new ATOM 0 HB3 SER A 21 3.380 5.384 8.959 1.00 15.00 H new ATOM 0 HG SER A 21 4.531 4.444 10.740 1.00 15.00 H new ATOM 315 N VAL A 22 3.814 1.841 6.970 1.00 15.00 N ATOM 316 CA VAL A 22 2.941 0.677 6.855 1.00 15.00 C ATOM 317 C VAL A 22 3.021 -0.251 8.060 1.00 15.00 C ATOM 318 O VAL A 22 4.010 -0.266 8.793 1.00 15.00 O ATOM 319 CB VAL A 22 3.269 -0.127 5.584 1.00 15.00 C ATOM 320 CG1 VAL A 22 3.094 0.734 4.343 1.00 15.00 C ATOM 321 CG2 VAL A 22 4.682 -0.680 5.654 1.00 15.00 C ATOM 0 H VAL A 22 4.770 1.689 6.647 1.00 15.00 H new ATOM 0 HA VAL A 22 1.926 1.070 6.803 1.00 15.00 H new ATOM 0 HB VAL A 22 2.574 -0.964 5.520 1.00 15.00 H new ATOM 0 HG11 VAL A 22 3.331 0.146 3.456 1.00 15.00 H new ATOM 0 HG12 VAL A 22 2.062 1.081 4.283 1.00 15.00 H new ATOM 0 HG13 VAL A 22 3.763 1.593 4.399 1.00 15.00 H new ATOM 0 HG21 VAL A 22 4.897 -1.246 4.747 1.00 15.00 H new ATOM 0 HG22 VAL A 22 5.391 0.143 5.745 1.00 15.00 H new ATOM 0 HG23 VAL A 22 4.774 -1.335 6.520 1.00 15.00 H new ATOM 331 N THR A 23 1.955 -1.027 8.248 1.00 15.00 N ATOM 332 CA THR A 23 1.867 -1.973 9.353 1.00 15.00 C ATOM 333 C THR A 23 1.018 -3.186 8.961 1.00 15.00 C ATOM 334 O THR A 23 0.587 -3.310 7.812 1.00 15.00 O ATOM 335 CB THR A 23 1.267 -1.287 10.583 1.00 15.00 C ATOM 336 OG1 THR A 23 1.238 0.118 10.409 1.00 15.00 O ATOM 337 CG2 THR A 23 2.026 -1.571 11.859 1.00 15.00 C ATOM 0 H THR A 23 1.135 -1.016 7.642 1.00 15.00 H new ATOM 0 HA THR A 23 2.872 -2.319 9.592 1.00 15.00 H new ATOM 0 HB THR A 23 0.261 -1.697 10.678 1.00 15.00 H new ATOM 0 HG1 THR A 23 1.322 0.557 11.281 1.00 15.00 H new ATOM 0 HG21 THR A 23 1.547 -1.054 12.690 1.00 15.00 H new ATOM 0 HG22 THR A 23 2.027 -2.644 12.051 1.00 15.00 H new ATOM 0 HG23 THR A 23 3.053 -1.220 11.757 1.00 15.00 H new ATOM 345 N GLY A 24 0.779 -4.074 9.924 1.00 15.00 N ATOM 346 CA GLY A 24 -0.020 -5.261 9.662 1.00 15.00 C ATOM 347 C GLY A 24 0.679 -6.240 8.741 1.00 15.00 C ATOM 348 O GLY A 24 1.759 -6.735 9.059 1.00 15.00 O ATOM 0 H GLY A 24 1.124 -3.993 10.880 1.00 15.00 H new ATOM 0 HA2 GLY A 24 -0.250 -5.756 10.606 1.00 15.00 H new ATOM 0 HA3 GLY A 24 -0.970 -4.965 9.218 1.00 15.00 H new ATOM 352 N GLY A 25 0.065 -6.516 7.594 1.00 15.00 N ATOM 353 CA GLY A 25 0.653 -7.434 6.635 1.00 15.00 C ATOM 354 C GLY A 25 0.709 -8.867 7.131 1.00 15.00 C ATOM 355 O GLY A 25 0.039 -9.742 6.584 1.00 15.00 O ATOM 0 H GLY A 25 -0.831 -6.119 7.311 1.00 15.00 H new ATOM 0 HA2 GLY A 25 0.078 -7.399 5.710 1.00 15.00 H new ATOM 0 HA3 GLY A 25 1.663 -7.100 6.395 1.00 15.00 H new ATOM 359 N VAL A 26 1.522 -9.104 8.161 1.00 15.00 N ATOM 360 CA VAL A 26 1.690 -10.441 8.743 1.00 15.00 C ATOM 361 C VAL A 26 0.408 -11.266 8.664 1.00 15.00 C ATOM 362 O VAL A 26 -0.693 -10.740 8.827 1.00 15.00 O ATOM 363 CB VAL A 26 2.141 -10.365 10.218 1.00 15.00 C ATOM 364 CG1 VAL A 26 3.652 -10.493 10.323 1.00 15.00 C ATOM 365 CG2 VAL A 26 1.664 -9.072 10.860 1.00 15.00 C ATOM 0 H VAL A 26 2.081 -8.381 8.615 1.00 15.00 H new ATOM 0 HA VAL A 26 2.463 -10.931 8.151 1.00 15.00 H new ATOM 0 HB VAL A 26 1.690 -11.198 10.757 1.00 15.00 H new ATOM 0 HG11 VAL A 26 3.950 -10.437 11.370 1.00 15.00 H new ATOM 0 HG12 VAL A 26 3.966 -11.450 9.907 1.00 15.00 H new ATOM 0 HG13 VAL A 26 4.125 -9.683 9.767 1.00 15.00 H new ATOM 0 HG21 VAL A 26 1.992 -9.039 11.899 1.00 15.00 H new ATOM 0 HG22 VAL A 26 2.081 -8.222 10.320 1.00 15.00 H new ATOM 0 HG23 VAL A 26 0.576 -9.027 10.822 1.00 15.00 H new ATOM 375 N ASN A 27 0.562 -12.562 8.410 1.00 15.00 N ATOM 376 CA ASN A 27 -0.580 -13.464 8.307 1.00 15.00 C ATOM 377 C ASN A 27 -1.145 -13.786 9.689 1.00 15.00 C ATOM 378 O ASN A 27 -1.191 -14.947 10.098 1.00 15.00 O ATOM 379 CB ASN A 27 -0.174 -14.755 7.593 1.00 15.00 C ATOM 380 CG ASN A 27 1.087 -15.366 8.173 1.00 15.00 C ATOM 381 OD1 ASN A 27 2.187 -15.145 7.667 1.00 15.00 O ATOM 382 ND2 ASN A 27 0.933 -16.141 9.240 1.00 15.00 N ATOM 0 H ASN A 27 1.467 -13.011 8.272 1.00 15.00 H new ATOM 0 HA ASN A 27 -1.355 -12.965 7.725 1.00 15.00 H new ATOM 0 HB2 ASN A 27 -0.988 -15.476 7.662 1.00 15.00 H new ATOM 0 HB3 ASN A 27 -0.020 -14.548 6.534 1.00 15.00 H new ATOM 0 HD21 ASN A 27 1.745 -16.580 9.673 1.00 15.00 H new ATOM 0 HD22 ASN A 27 0.002 -16.297 9.627 1.00 15.00 H new ATOM 389 N THR A 28 -1.574 -12.751 10.404 1.00 15.00 N ATOM 390 CA THR A 28 -2.136 -12.921 11.738 1.00 15.00 C ATOM 391 C THR A 28 -3.139 -11.813 12.042 1.00 15.00 C ATOM 392 O THR A 28 -4.336 -12.065 12.174 1.00 15.00 O ATOM 393 CB THR A 28 -1.023 -12.922 12.788 1.00 15.00 C ATOM 394 OG1 THR A 28 0.141 -13.550 12.283 1.00 15.00 O ATOM 395 CG2 THR A 28 -1.408 -13.631 14.069 1.00 15.00 C ATOM 0 H THR A 28 -1.543 -11.784 10.081 1.00 15.00 H new ATOM 0 HA THR A 28 -2.654 -13.879 11.772 1.00 15.00 H new ATOM 0 HB THR A 28 -0.839 -11.872 13.015 1.00 15.00 H new ATOM 0 HG1 THR A 28 0.842 -13.539 12.968 1.00 15.00 H new ATOM 0 HG21 THR A 28 -0.574 -13.595 14.770 1.00 15.00 H new ATOM 0 HG22 THR A 28 -2.275 -13.139 14.511 1.00 15.00 H new ATOM 0 HG23 THR A 28 -1.653 -14.670 13.850 1.00 15.00 H new ATOM 403 N SER A 29 -2.641 -10.584 12.142 1.00 15.00 N ATOM 404 CA SER A 29 -3.495 -9.436 12.420 1.00 15.00 C ATOM 405 C SER A 29 -4.459 -9.198 11.264 1.00 15.00 C ATOM 406 O SER A 29 -5.669 -9.086 11.462 1.00 15.00 O ATOM 407 CB SER A 29 -2.645 -8.187 12.659 1.00 15.00 C ATOM 408 OG SER A 29 -3.456 -7.030 12.763 1.00 15.00 O ATOM 0 H SER A 29 -1.652 -10.359 12.035 1.00 15.00 H new ATOM 0 HA SER A 29 -4.073 -9.646 13.320 1.00 15.00 H new ATOM 0 HB2 SER A 29 -2.062 -8.309 13.572 1.00 15.00 H new ATOM 0 HB3 SER A 29 -1.935 -8.065 11.841 1.00 15.00 H new ATOM 0 HG SER A 29 -2.889 -6.246 12.917 1.00 15.00 H new ATOM 414 N VAL A 30 -3.913 -9.130 10.054 1.00 15.00 N ATOM 415 CA VAL A 30 -4.719 -8.915 8.860 1.00 15.00 C ATOM 416 C VAL A 30 -5.212 -10.244 8.296 1.00 15.00 C ATOM 417 O VAL A 30 -4.991 -11.299 8.891 1.00 15.00 O ATOM 418 CB VAL A 30 -3.924 -8.168 7.772 1.00 15.00 C ATOM 419 CG1 VAL A 30 -3.549 -6.773 8.248 1.00 15.00 C ATOM 420 CG2 VAL A 30 -2.683 -8.957 7.381 1.00 15.00 C ATOM 0 H VAL A 30 -2.913 -9.221 9.875 1.00 15.00 H new ATOM 0 HA VAL A 30 -5.573 -8.304 9.153 1.00 15.00 H new ATOM 0 HB VAL A 30 -4.556 -8.068 6.890 1.00 15.00 H new ATOM 0 HG11 VAL A 30 -2.988 -6.260 7.467 1.00 15.00 H new ATOM 0 HG12 VAL A 30 -4.455 -6.210 8.473 1.00 15.00 H new ATOM 0 HG13 VAL A 30 -2.935 -6.848 9.146 1.00 15.00 H new ATOM 0 HG21 VAL A 30 -2.134 -8.414 6.612 1.00 15.00 H new ATOM 0 HG22 VAL A 30 -2.046 -9.090 8.255 1.00 15.00 H new ATOM 0 HG23 VAL A 30 -2.979 -9.933 6.995 1.00 15.00 H new ATOM 430 N ARG A 31 -5.881 -10.190 7.149 1.00 15.00 N ATOM 431 CA ARG A 31 -6.399 -11.397 6.517 1.00 15.00 C ATOM 432 C ARG A 31 -5.379 -11.993 5.554 1.00 15.00 C ATOM 433 O ARG A 31 -4.728 -11.274 4.796 1.00 15.00 O ATOM 434 CB ARG A 31 -7.704 -11.094 5.778 1.00 15.00 C ATOM 435 CG ARG A 31 -8.260 -12.281 5.006 1.00 15.00 C ATOM 436 CD ARG A 31 -9.386 -11.861 4.074 1.00 15.00 C ATOM 437 NE ARG A 31 -10.548 -11.366 4.807 1.00 15.00 N ATOM 438 CZ ARG A 31 -11.528 -10.659 4.250 1.00 15.00 C ATOM 439 NH1 ARG A 31 -11.489 -10.364 2.957 1.00 15.00 N ATOM 440 NH2 ARG A 31 -12.550 -10.246 4.988 1.00 15.00 N ATOM 0 H ARG A 31 -6.076 -9.328 6.640 1.00 15.00 H new ATOM 0 HA ARG A 31 -6.597 -12.128 7.301 1.00 15.00 H new ATOM 0 HB2 ARG A 31 -8.450 -10.759 6.499 1.00 15.00 H new ATOM 0 HB3 ARG A 31 -7.536 -10.269 5.086 1.00 15.00 H new ATOM 0 HG2 ARG A 31 -7.462 -12.746 4.428 1.00 15.00 H new ATOM 0 HG3 ARG A 31 -8.626 -13.032 5.706 1.00 15.00 H new ATOM 0 HD2 ARG A 31 -9.027 -11.085 3.398 1.00 15.00 H new ATOM 0 HD3 ARG A 31 -9.681 -12.710 3.457 1.00 15.00 H new ATOM 0 HE ARG A 31 -10.612 -11.574 5.803 1.00 15.00 H new ATOM 0 HH11 ARG A 31 -10.705 -10.679 2.385 1.00 15.00 H new ATOM 0 HH12 ARG A 31 -12.243 -9.822 2.535 1.00 15.00 H new ATOM 0 HH21 ARG A 31 -12.585 -10.470 5.982 1.00 15.00 H new ATOM 0 HH22 ARG A 31 -13.301 -9.704 4.561 1.00 15.00 H new ATOM 454 N HIS A 32 -5.252 -13.314 5.593 1.00 15.00 N ATOM 455 CA HIS A 32 -4.318 -14.027 4.727 1.00 15.00 C ATOM 456 C HIS A 32 -2.892 -13.494 4.887 1.00 15.00 C ATOM 457 O HIS A 32 -2.107 -14.026 5.672 1.00 15.00 O ATOM 458 CB HIS A 32 -4.764 -13.924 3.266 1.00 15.00 C ATOM 459 CG HIS A 32 -6.042 -14.648 2.977 1.00 15.00 C ATOM 460 ND1 HIS A 32 -6.932 -14.245 2.004 1.00 15.00 N ATOM 461 CD2 HIS A 32 -6.579 -15.757 3.540 1.00 15.00 C ATOM 462 CE1 HIS A 32 -7.962 -15.073 1.982 1.00 15.00 C ATOM 463 NE2 HIS A 32 -7.772 -15.999 2.903 1.00 15.00 N ATOM 0 H HIS A 32 -5.787 -13.917 6.218 1.00 15.00 H new ATOM 0 HA HIS A 32 -4.318 -15.076 5.025 1.00 15.00 H new ATOM 0 HB2 HIS A 32 -4.885 -12.873 3.005 1.00 15.00 H new ATOM 0 HB3 HIS A 32 -3.977 -14.323 2.626 1.00 15.00 H new ATOM 0 HD2 HIS A 32 -6.150 -16.342 4.340 1.00 15.00 H new ATOM 0 HE1 HIS A 32 -8.814 -15.004 1.322 1.00 15.00 H new ATOM 0 HE2 HIS A 32 -8.408 -16.770 3.109 1.00 15.00 H new ATOM 472 N GLY A 33 -2.561 -12.447 4.136 1.00 15.00 N ATOM 473 CA GLY A 33 -1.230 -11.868 4.207 1.00 15.00 C ATOM 474 C GLY A 33 -1.118 -10.574 3.424 1.00 15.00 C ATOM 475 O GLY A 33 -0.037 -10.212 2.960 1.00 15.00 O ATOM 0 H GLY A 33 -3.192 -11.988 3.478 1.00 15.00 H new ATOM 0 HA2 GLY A 33 -0.973 -11.681 5.250 1.00 15.00 H new ATOM 0 HA3 GLY A 33 -0.504 -12.585 3.824 1.00 15.00 H new ATOM 479 N GLY A 34 -2.234 -9.863 3.288 1.00 15.00 N ATOM 480 CA GLY A 34 -2.219 -8.601 2.573 1.00 15.00 C ATOM 481 C GLY A 34 -1.731 -7.483 3.465 1.00 15.00 C ATOM 482 O GLY A 34 -1.890 -7.554 4.684 1.00 15.00 O ATOM 0 H GLY A 34 -3.144 -10.137 3.659 1.00 15.00 H new ATOM 0 HA2 GLY A 34 -1.574 -8.682 1.698 1.00 15.00 H new ATOM 0 HA3 GLY A 34 -3.221 -8.372 2.210 1.00 15.00 H new ATOM 486 N ILE A 35 -1.126 -6.454 2.884 1.00 15.00 N ATOM 487 CA ILE A 35 -0.622 -5.354 3.694 1.00 15.00 C ATOM 488 C ILE A 35 -1.676 -4.283 3.904 1.00 15.00 C ATOM 489 O ILE A 35 -2.582 -4.111 3.091 1.00 15.00 O ATOM 490 CB ILE A 35 0.652 -4.715 3.093 1.00 15.00 C ATOM 491 CG1 ILE A 35 1.732 -4.582 4.178 1.00 15.00 C ATOM 492 CG2 ILE A 35 0.346 -3.364 2.448 1.00 15.00 C ATOM 493 CD1 ILE A 35 1.993 -3.162 4.639 1.00 15.00 C ATOM 0 H ILE A 35 -0.975 -6.359 1.880 1.00 15.00 H new ATOM 0 HA ILE A 35 -0.362 -5.789 4.659 1.00 15.00 H new ATOM 0 HB ILE A 35 1.028 -5.368 2.305 1.00 15.00 H new ATOM 0 HG12 ILE A 35 1.438 -5.181 5.040 1.00 15.00 H new ATOM 0 HG13 ILE A 35 2.663 -5.004 3.799 1.00 15.00 H new ATOM 0 HG21 ILE A 35 1.262 -2.942 2.035 1.00 15.00 H new ATOM 0 HG22 ILE A 35 -0.383 -3.499 1.649 1.00 15.00 H new ATOM 0 HG23 ILE A 35 -0.060 -2.686 3.199 1.00 15.00 H new ATOM 0 HD11 ILE A 35 2.769 -3.165 5.404 1.00 15.00 H new ATOM 0 HD12 ILE A 35 2.321 -2.559 3.792 1.00 15.00 H new ATOM 0 HD13 ILE A 35 1.077 -2.740 5.052 1.00 15.00 H new ATOM 505 N TYR A 36 -1.530 -3.559 4.998 1.00 15.00 N ATOM 506 CA TYR A 36 -2.445 -2.483 5.331 1.00 15.00 C ATOM 507 C TYR A 36 -1.681 -1.321 5.938 1.00 15.00 C ATOM 508 O TYR A 36 -1.207 -1.400 7.072 1.00 15.00 O ATOM 509 CB TYR A 36 -3.520 -2.967 6.303 1.00 15.00 C ATOM 510 CG TYR A 36 -4.447 -4.002 5.714 1.00 15.00 C ATOM 511 CD1 TYR A 36 -4.006 -5.295 5.467 1.00 15.00 C ATOM 512 CD2 TYR A 36 -5.764 -3.687 5.407 1.00 15.00 C ATOM 513 CE1 TYR A 36 -4.850 -6.245 4.930 1.00 15.00 C ATOM 514 CE2 TYR A 36 -6.616 -4.631 4.870 1.00 15.00 C ATOM 515 CZ TYR A 36 -6.155 -5.911 4.634 1.00 15.00 C ATOM 516 OH TYR A 36 -7.000 -6.858 4.100 1.00 15.00 O ATOM 0 H TYR A 36 -0.781 -3.698 5.676 1.00 15.00 H new ATOM 0 HA TYR A 36 -2.934 -2.151 4.415 1.00 15.00 H new ATOM 0 HB2 TYR A 36 -3.037 -3.385 7.186 1.00 15.00 H new ATOM 0 HB3 TYR A 36 -4.108 -2.112 6.636 1.00 15.00 H new ATOM 0 HD1 TYR A 36 -2.985 -5.562 5.699 1.00 15.00 H new ATOM 0 HD2 TYR A 36 -6.128 -2.687 5.591 1.00 15.00 H new ATOM 0 HE1 TYR A 36 -4.490 -7.246 4.742 1.00 15.00 H new ATOM 0 HE2 TYR A 36 -7.637 -4.370 4.636 1.00 15.00 H new ATOM 0 HH TYR A 36 -7.884 -6.461 3.951 1.00 15.00 H new ATOM 526 N VAL A 37 -1.548 -0.249 5.173 1.00 15.00 N ATOM 527 CA VAL A 37 -0.817 0.921 5.644 1.00 15.00 C ATOM 528 C VAL A 37 -1.387 1.437 6.961 1.00 15.00 C ATOM 529 O VAL A 37 -2.569 1.273 7.250 1.00 15.00 O ATOM 530 CB VAL A 37 -0.784 2.078 4.600 1.00 15.00 C ATOM 531 CG1 VAL A 37 -0.948 1.567 3.182 1.00 15.00 C ATOM 532 CG2 VAL A 37 -1.823 3.150 4.880 1.00 15.00 C ATOM 0 H VAL A 37 -1.932 -0.163 4.232 1.00 15.00 H new ATOM 0 HA VAL A 37 0.209 0.587 5.799 1.00 15.00 H new ATOM 0 HB VAL A 37 0.202 2.531 4.698 1.00 15.00 H new ATOM 0 HG11 VAL A 37 -0.919 2.406 2.487 1.00 15.00 H new ATOM 0 HG12 VAL A 37 -0.139 0.875 2.949 1.00 15.00 H new ATOM 0 HG13 VAL A 37 -1.904 1.052 3.089 1.00 15.00 H new ATOM 0 HG21 VAL A 37 -1.754 3.930 4.122 1.00 15.00 H new ATOM 0 HG22 VAL A 37 -2.819 2.707 4.856 1.00 15.00 H new ATOM 0 HG23 VAL A 37 -1.643 3.583 5.864 1.00 15.00 H new ATOM 542 N LYS A 38 -0.538 2.087 7.739 1.00 15.00 N ATOM 543 CA LYS A 38 -0.957 2.662 9.004 1.00 15.00 C ATOM 544 C LYS A 38 -1.526 4.049 8.736 1.00 15.00 C ATOM 545 O LYS A 38 -2.613 4.390 9.198 1.00 15.00 O ATOM 546 CB LYS A 38 0.223 2.699 9.994 1.00 15.00 C ATOM 547 CG LYS A 38 0.738 4.090 10.354 1.00 15.00 C ATOM 548 CD LYS A 38 1.115 4.173 11.824 1.00 15.00 C ATOM 549 CE LYS A 38 0.124 5.022 12.605 1.00 15.00 C ATOM 550 NZ LYS A 38 -0.074 4.512 13.989 1.00 15.00 N ATOM 0 H LYS A 38 0.447 2.229 7.515 1.00 15.00 H new ATOM 0 HA LYS A 38 -1.732 2.049 9.465 1.00 15.00 H new ATOM 0 HB2 LYS A 38 -0.080 2.194 10.912 1.00 15.00 H new ATOM 0 HB3 LYS A 38 1.047 2.124 9.571 1.00 15.00 H new ATOM 0 HG2 LYS A 38 1.606 4.330 9.739 1.00 15.00 H new ATOM 0 HG3 LYS A 38 -0.027 4.833 10.130 1.00 15.00 H new ATOM 0 HD2 LYS A 38 1.151 3.170 12.249 1.00 15.00 H new ATOM 0 HD3 LYS A 38 2.115 4.596 11.921 1.00 15.00 H new ATOM 0 HE2 LYS A 38 0.480 6.051 12.645 1.00 15.00 H new ATOM 0 HE3 LYS A 38 -0.833 5.036 12.083 1.00 15.00 H new ATOM 0 HZ1 LYS A 38 -0.756 5.118 14.488 1.00 15.00 H new ATOM 0 HZ2 LYS A 38 -0.438 3.539 13.951 1.00 15.00 H new ATOM 0 HZ3 LYS A 38 0.834 4.523 14.496 1.00 15.00 H new ATOM 564 N ALA A 39 -0.777 4.833 7.963 1.00 15.00 N ATOM 565 CA ALA A 39 -1.188 6.177 7.588 1.00 15.00 C ATOM 566 C ALA A 39 -0.226 6.751 6.557 1.00 15.00 C ATOM 567 O ALA A 39 0.803 6.145 6.267 1.00 15.00 O ATOM 568 CB ALA A 39 -1.273 7.070 8.812 1.00 15.00 C ATOM 0 H ALA A 39 0.127 4.553 7.583 1.00 15.00 H new ATOM 0 HA ALA A 39 -2.181 6.129 7.140 1.00 15.00 H new ATOM 0 HB1 ALA A 39 -1.582 8.071 8.511 1.00 15.00 H new ATOM 0 HB2 ALA A 39 -2.002 6.660 9.511 1.00 15.00 H new ATOM 0 HB3 ALA A 39 -0.297 7.121 9.294 1.00 15.00 H new ATOM 574 N VAL A 40 -0.546 7.925 6.025 1.00 15.00 N ATOM 575 CA VAL A 40 0.319 8.574 5.039 1.00 15.00 C ATOM 576 C VAL A 40 1.205 9.599 5.738 1.00 15.00 C ATOM 577 O VAL A 40 0.717 10.594 6.274 1.00 15.00 O ATOM 578 CB VAL A 40 -0.482 9.265 3.908 1.00 15.00 C ATOM 579 CG1 VAL A 40 -0.370 8.476 2.610 1.00 15.00 C ATOM 580 CG2 VAL A 40 -1.941 9.441 4.297 1.00 15.00 C ATOM 0 H VAL A 40 -1.392 8.446 6.256 1.00 15.00 H new ATOM 0 HA VAL A 40 0.926 7.796 4.576 1.00 15.00 H new ATOM 0 HB VAL A 40 -0.052 10.254 3.752 1.00 15.00 H new ATOM 0 HG11 VAL A 40 -0.940 8.979 1.828 1.00 15.00 H new ATOM 0 HG12 VAL A 40 0.677 8.412 2.312 1.00 15.00 H new ATOM 0 HG13 VAL A 40 -0.766 7.472 2.759 1.00 15.00 H new ATOM 0 HG21 VAL A 40 -2.478 9.929 3.484 1.00 15.00 H new ATOM 0 HG22 VAL A 40 -2.386 8.465 4.492 1.00 15.00 H new ATOM 0 HG23 VAL A 40 -2.007 10.055 5.195 1.00 15.00 H new ATOM 590 N ILE A 41 2.504 9.320 5.775 1.00 15.00 N ATOM 591 CA ILE A 41 3.452 10.188 6.465 1.00 15.00 C ATOM 592 C ILE A 41 3.821 11.439 5.666 1.00 15.00 C ATOM 593 O ILE A 41 4.385 11.352 4.573 1.00 15.00 O ATOM 594 CB ILE A 41 4.726 9.401 6.874 1.00 15.00 C ATOM 595 CG1 ILE A 41 4.425 8.440 8.035 1.00 15.00 C ATOM 596 CG2 ILE A 41 5.860 10.341 7.257 1.00 15.00 C ATOM 597 CD1 ILE A 41 2.998 7.930 8.073 1.00 15.00 C ATOM 0 H ILE A 41 2.924 8.501 5.336 1.00 15.00 H new ATOM 0 HA ILE A 41 2.945 10.537 7.365 1.00 15.00 H new ATOM 0 HB ILE A 41 5.042 8.819 6.008 1.00 15.00 H new ATOM 0 HG12 ILE A 41 5.101 7.587 7.969 1.00 15.00 H new ATOM 0 HG13 ILE A 41 4.642 8.947 8.975 1.00 15.00 H new ATOM 0 HG21 ILE A 41 6.737 9.758 7.538 1.00 15.00 H new ATOM 0 HG22 ILE A 41 6.106 10.980 6.408 1.00 15.00 H new ATOM 0 HG23 ILE A 41 5.551 10.960 8.099 1.00 15.00 H new ATOM 0 HD11 ILE A 41 2.874 7.259 8.923 1.00 15.00 H new ATOM 0 HD12 ILE A 41 2.313 8.772 8.173 1.00 15.00 H new ATOM 0 HD13 ILE A 41 2.779 7.392 7.151 1.00 15.00 H new ATOM 609 N PRO A 42 3.508 12.630 6.236 1.00 15.00 N ATOM 610 CA PRO A 42 3.796 13.930 5.611 1.00 15.00 C ATOM 611 C PRO A 42 5.291 14.195 5.452 1.00 15.00 C ATOM 612 O PRO A 42 5.823 15.151 6.016 1.00 15.00 O ATOM 613 CB PRO A 42 3.178 14.945 6.580 1.00 15.00 C ATOM 614 CG PRO A 42 3.109 14.235 7.884 1.00 15.00 C ATOM 615 CD PRO A 42 2.852 12.796 7.549 1.00 15.00 C ATOM 0 HA PRO A 42 3.392 13.981 4.600 1.00 15.00 H new ATOM 0 HB2 PRO A 42 3.789 15.845 6.652 1.00 15.00 H new ATOM 0 HB3 PRO A 42 2.188 15.257 6.247 1.00 15.00 H new ATOM 0 HG2 PRO A 42 4.039 14.347 8.441 1.00 15.00 H new ATOM 0 HG3 PRO A 42 2.313 14.640 8.509 1.00 15.00 H new ATOM 0 HD2 PRO A 42 3.276 12.127 8.298 1.00 15.00 H new ATOM 0 HD3 PRO A 42 1.785 12.580 7.496 1.00 15.00 H new ATOM 623 N GLN A 43 5.967 13.349 4.681 1.00 15.00 N ATOM 624 CA GLN A 43 7.397 13.510 4.458 1.00 15.00 C ATOM 625 C GLN A 43 7.819 12.965 3.094 1.00 15.00 C ATOM 626 O GLN A 43 8.567 13.615 2.364 1.00 15.00 O ATOM 627 CB GLN A 43 8.186 12.809 5.566 1.00 15.00 C ATOM 628 CG GLN A 43 8.737 13.761 6.615 1.00 15.00 C ATOM 629 CD GLN A 43 9.902 14.585 6.101 1.00 15.00 C ATOM 630 OE1 GLN A 43 11.061 14.191 6.233 1.00 15.00 O ATOM 631 NE2 GLN A 43 9.598 15.735 5.512 1.00 15.00 N ATOM 0 H GLN A 43 5.550 12.550 4.203 1.00 15.00 H new ATOM 0 HA GLN A 43 7.617 14.578 4.476 1.00 15.00 H new ATOM 0 HB2 GLN A 43 7.541 12.078 6.054 1.00 15.00 H new ATOM 0 HB3 GLN A 43 9.012 12.257 5.119 1.00 15.00 H new ATOM 0 HG2 GLN A 43 7.942 14.429 6.947 1.00 15.00 H new ATOM 0 HG3 GLN A 43 9.057 13.190 7.486 1.00 15.00 H new ATOM 0 HE21 GLN A 43 8.623 16.021 5.425 1.00 15.00 H new ATOM 0 HE22 GLN A 43 10.340 16.332 5.146 1.00 15.00 H new ATOM 640 N GLY A 44 7.353 11.764 2.760 1.00 15.00 N ATOM 641 CA GLY A 44 7.720 11.162 1.488 1.00 15.00 C ATOM 642 C GLY A 44 6.803 11.544 0.340 1.00 15.00 C ATOM 643 O GLY A 44 5.718 12.088 0.545 1.00 15.00 O ATOM 0 H GLY A 44 6.733 11.200 3.342 1.00 15.00 H new ATOM 0 HA2 GLY A 44 8.740 11.456 1.239 1.00 15.00 H new ATOM 0 HA3 GLY A 44 7.718 10.077 1.596 1.00 15.00 H new ATOM 647 N ALA A 45 7.256 11.246 -0.874 1.00 15.00 N ATOM 648 CA ALA A 45 6.509 11.549 -2.094 1.00 15.00 C ATOM 649 C ALA A 45 5.106 10.944 -2.092 1.00 15.00 C ATOM 650 O ALA A 45 4.266 11.318 -2.911 1.00 15.00 O ATOM 651 CB ALA A 45 7.280 11.060 -3.308 1.00 15.00 C ATOM 0 H ALA A 45 8.152 10.787 -1.042 1.00 15.00 H new ATOM 0 HA ALA A 45 6.392 12.632 -2.137 1.00 15.00 H new ATOM 0 HB1 ALA A 45 6.717 11.289 -4.213 1.00 15.00 H new ATOM 0 HB2 ALA A 45 8.249 11.557 -3.348 1.00 15.00 H new ATOM 0 HB3 ALA A 45 7.427 9.982 -3.236 1.00 15.00 H new ATOM 657 N ALA A 46 4.852 10.007 -1.186 1.00 15.00 N ATOM 658 CA ALA A 46 3.547 9.363 -1.112 1.00 15.00 C ATOM 659 C ALA A 46 2.498 10.313 -0.553 1.00 15.00 C ATOM 660 O ALA A 46 1.487 10.585 -1.201 1.00 15.00 O ATOM 661 CB ALA A 46 3.624 8.107 -0.259 1.00 15.00 C ATOM 0 H ALA A 46 5.528 9.678 -0.497 1.00 15.00 H new ATOM 0 HA ALA A 46 3.251 9.086 -2.124 1.00 15.00 H new ATOM 0 HB1 ALA A 46 2.641 7.637 -0.213 1.00 15.00 H new ATOM 0 HB2 ALA A 46 4.339 7.411 -0.699 1.00 15.00 H new ATOM 0 HB3 ALA A 46 3.947 8.370 0.748 1.00 15.00 H new ATOM 667 N GLU A 47 2.748 10.820 0.650 1.00 15.00 N ATOM 668 CA GLU A 47 1.825 11.750 1.290 1.00 15.00 C ATOM 669 C GLU A 47 1.592 12.969 0.400 1.00 15.00 C ATOM 670 O GLU A 47 0.468 13.454 0.270 1.00 15.00 O ATOM 671 CB GLU A 47 2.373 12.204 2.651 1.00 15.00 C ATOM 672 CG GLU A 47 3.577 13.120 2.518 1.00 15.00 C ATOM 673 CD GLU A 47 3.190 14.573 2.317 1.00 15.00 C ATOM 674 OE1 GLU A 47 2.100 14.967 2.783 1.00 15.00 O ATOM 675 OE2 GLU A 47 3.978 15.317 1.695 1.00 15.00 O ATOM 0 H GLU A 47 3.579 10.603 1.200 1.00 15.00 H new ATOM 0 HA GLU A 47 0.877 11.234 1.443 1.00 15.00 H new ATOM 0 HB2 GLU A 47 1.587 12.721 3.201 1.00 15.00 H new ATOM 0 HB3 GLU A 47 2.650 11.328 3.238 1.00 15.00 H new ATOM 0 HG2 GLU A 47 4.194 13.033 3.412 1.00 15.00 H new ATOM 0 HG3 GLU A 47 4.187 12.791 1.677 1.00 15.00 H new ATOM 682 N SER A 48 2.673 13.465 -0.203 1.00 15.00 N ATOM 683 CA SER A 48 2.605 14.633 -1.074 1.00 15.00 C ATOM 684 C SER A 48 1.562 14.432 -2.160 1.00 15.00 C ATOM 685 O SER A 48 0.503 15.060 -2.141 1.00 15.00 O ATOM 686 CB SER A 48 3.971 14.907 -1.704 1.00 15.00 C ATOM 687 OG SER A 48 3.932 16.059 -2.528 1.00 15.00 O ATOM 0 H SER A 48 3.609 13.072 -0.102 1.00 15.00 H new ATOM 0 HA SER A 48 2.316 15.493 -0.470 1.00 15.00 H new ATOM 0 HB2 SER A 48 4.716 15.042 -0.920 1.00 15.00 H new ATOM 0 HB3 SER A 48 4.282 14.045 -2.294 1.00 15.00 H new ATOM 0 HG SER A 48 4.818 16.213 -2.917 1.00 15.00 H new ATOM 693 N ASP A 49 1.856 13.541 -3.098 1.00 15.00 N ATOM 694 CA ASP A 49 0.923 13.252 -4.175 1.00 15.00 C ATOM 695 C ASP A 49 -0.373 12.706 -3.594 1.00 15.00 C ATOM 696 O ASP A 49 -1.467 13.038 -4.051 1.00 15.00 O ATOM 697 CB ASP A 49 1.528 12.244 -5.154 1.00 15.00 C ATOM 698 CG ASP A 49 2.166 12.915 -6.355 1.00 15.00 C ATOM 699 OD1 ASP A 49 1.465 13.682 -7.048 1.00 15.00 O ATOM 700 OD2 ASP A 49 3.367 12.675 -6.601 1.00 15.00 O ATOM 0 H ASP A 49 2.726 13.011 -3.134 1.00 15.00 H new ATOM 0 HA ASP A 49 0.714 14.174 -4.718 1.00 15.00 H new ATOM 0 HB2 ASP A 49 2.276 11.644 -4.637 1.00 15.00 H new ATOM 0 HB3 ASP A 49 0.750 11.560 -5.494 1.00 15.00 H new ATOM 705 N GLY A 50 -0.232 11.867 -2.572 1.00 15.00 N ATOM 706 CA GLY A 50 -1.386 11.282 -1.924 1.00 15.00 C ATOM 707 C GLY A 50 -1.922 10.093 -2.694 1.00 15.00 C ATOM 708 O GLY A 50 -3.131 9.963 -2.887 1.00 15.00 O ATOM 0 H GLY A 50 0.666 11.583 -2.182 1.00 15.00 H new ATOM 0 HA2 GLY A 50 -1.117 10.970 -0.915 1.00 15.00 H new ATOM 0 HA3 GLY A 50 -2.168 12.035 -1.827 1.00 15.00 H new ATOM 712 N ARG A 51 -1.019 9.231 -3.146 1.00 15.00 N ATOM 713 CA ARG A 51 -1.406 8.052 -3.913 1.00 15.00 C ATOM 714 C ARG A 51 -1.907 6.950 -2.988 1.00 15.00 C ATOM 715 O ARG A 51 -3.006 6.426 -3.165 1.00 15.00 O ATOM 716 CB ARG A 51 -0.217 7.547 -4.735 1.00 15.00 C ATOM 717 CG ARG A 51 -0.528 7.350 -6.210 1.00 15.00 C ATOM 718 CD ARG A 51 -0.944 8.649 -6.876 1.00 15.00 C ATOM 719 NE ARG A 51 -2.387 8.718 -7.098 1.00 15.00 N ATOM 720 CZ ARG A 51 -3.000 8.209 -8.165 1.00 15.00 C ATOM 721 NH1 ARG A 51 -2.303 7.587 -9.107 1.00 15.00 N ATOM 722 NH2 ARG A 51 -4.315 8.320 -8.288 1.00 15.00 N ATOM 0 H ARG A 51 -0.015 9.326 -2.995 1.00 15.00 H new ATOM 0 HA ARG A 51 -2.215 8.330 -4.589 1.00 15.00 H new ATOM 0 HB2 ARG A 51 0.606 8.255 -4.639 1.00 15.00 H new ATOM 0 HB3 ARG A 51 0.126 6.601 -4.316 1.00 15.00 H new ATOM 0 HG2 ARG A 51 0.349 6.947 -6.716 1.00 15.00 H new ATOM 0 HG3 ARG A 51 -1.325 6.614 -6.319 1.00 15.00 H new ATOM 0 HD2 ARG A 51 -0.633 9.489 -6.255 1.00 15.00 H new ATOM 0 HD3 ARG A 51 -0.426 8.748 -7.830 1.00 15.00 H new ATOM 0 HE ARG A 51 -2.959 9.184 -6.393 1.00 15.00 H new ATOM 0 HH11 ARG A 51 -1.291 7.496 -9.017 1.00 15.00 H new ATOM 0 HH12 ARG A 51 -2.779 7.199 -9.922 1.00 15.00 H new ATOM 0 HH21 ARG A 51 -4.856 8.795 -7.566 1.00 15.00 H new ATOM 0 HH22 ARG A 51 -4.785 7.930 -9.105 1.00 15.00 H new ATOM 736 N ILE A 52 -1.093 6.609 -1.998 1.00 15.00 N ATOM 737 CA ILE A 52 -1.442 5.581 -1.038 1.00 15.00 C ATOM 738 C ILE A 52 -2.365 6.150 0.043 1.00 15.00 C ATOM 739 O ILE A 52 -2.475 7.367 0.192 1.00 15.00 O ATOM 740 CB ILE A 52 -0.165 4.994 -0.405 1.00 15.00 C ATOM 741 CG1 ILE A 52 -0.480 3.715 0.366 1.00 15.00 C ATOM 742 CG2 ILE A 52 0.510 6.021 0.493 1.00 15.00 C ATOM 743 CD1 ILE A 52 -1.089 2.628 -0.491 1.00 15.00 C ATOM 0 H ILE A 52 -0.180 7.036 -1.842 1.00 15.00 H new ATOM 0 HA ILE A 52 -1.974 4.783 -1.556 1.00 15.00 H new ATOM 0 HB ILE A 52 0.528 4.739 -1.207 1.00 15.00 H new ATOM 0 HG12 ILE A 52 0.437 3.338 0.819 1.00 15.00 H new ATOM 0 HG13 ILE A 52 -1.165 3.951 1.181 1.00 15.00 H new ATOM 0 HG21 ILE A 52 1.409 5.587 0.930 1.00 15.00 H new ATOM 0 HG22 ILE A 52 0.779 6.898 -0.096 1.00 15.00 H new ATOM 0 HG23 ILE A 52 -0.175 6.315 1.289 1.00 15.00 H new ATOM 0 HD11 ILE A 52 -1.287 1.749 0.122 1.00 15.00 H new ATOM 0 HD12 ILE A 52 -2.023 2.986 -0.923 1.00 15.00 H new ATOM 0 HD13 ILE A 52 -0.397 2.364 -1.291 1.00 15.00 H new ATOM 755 N HIS A 53 -3.039 5.273 0.781 1.00 15.00 N ATOM 756 CA HIS A 53 -3.962 5.710 1.826 1.00 15.00 C ATOM 757 C HIS A 53 -3.990 4.752 3.000 1.00 15.00 C ATOM 758 O HIS A 53 -3.602 3.590 2.893 1.00 15.00 O ATOM 759 CB HIS A 53 -5.371 5.881 1.257 1.00 15.00 C ATOM 760 CG HIS A 53 -5.421 6.727 0.022 1.00 15.00 C ATOM 761 ND1 HIS A 53 -5.347 6.205 -1.252 1.00 15.00 N ATOM 762 CD2 HIS A 53 -5.539 8.068 -0.130 1.00 15.00 C ATOM 763 CE1 HIS A 53 -5.418 7.186 -2.133 1.00 15.00 C ATOM 764 NE2 HIS A 53 -5.535 8.326 -1.478 1.00 15.00 N ATOM 0 H HIS A 53 -2.965 4.261 0.677 1.00 15.00 H new ATOM 0 HA HIS A 53 -3.601 6.671 2.193 1.00 15.00 H new ATOM 0 HB2 HIS A 53 -5.784 4.898 1.031 1.00 15.00 H new ATOM 0 HB3 HIS A 53 -6.010 6.327 2.019 1.00 15.00 H new ATOM 0 HD2 HIS A 53 -5.621 8.798 0.662 1.00 15.00 H new ATOM 0 HE1 HIS A 53 -5.386 7.075 -3.207 1.00 15.00 H new ATOM 0 HE2 HIS A 53 -5.610 9.249 -1.905 1.00 15.00 H new ATOM 773 N LYS A 54 -4.438 5.286 4.128 1.00 15.00 N ATOM 774 CA LYS A 54 -4.518 4.551 5.378 1.00 15.00 C ATOM 775 C LYS A 54 -5.068 3.133 5.202 1.00 15.00 C ATOM 776 O LYS A 54 -6.082 2.924 4.536 1.00 15.00 O ATOM 777 CB LYS A 54 -5.391 5.321 6.373 1.00 15.00 C ATOM 778 CG LYS A 54 -4.618 5.898 7.544 1.00 15.00 C ATOM 779 CD LYS A 54 -5.469 5.950 8.803 1.00 15.00 C ATOM 780 CE LYS A 54 -5.614 4.575 9.435 1.00 15.00 C ATOM 781 NZ LYS A 54 -6.908 3.932 9.077 1.00 15.00 N ATOM 0 H LYS A 54 -4.759 6.252 4.199 1.00 15.00 H new ATOM 0 HA LYS A 54 -3.501 4.455 5.757 1.00 15.00 H new ATOM 0 HB2 LYS A 54 -5.896 6.132 5.848 1.00 15.00 H new ATOM 0 HB3 LYS A 54 -6.166 4.656 6.753 1.00 15.00 H new ATOM 0 HG2 LYS A 54 -3.730 5.293 7.729 1.00 15.00 H new ATOM 0 HG3 LYS A 54 -4.274 6.902 7.295 1.00 15.00 H new ATOM 0 HD2 LYS A 54 -5.018 6.635 9.520 1.00 15.00 H new ATOM 0 HD3 LYS A 54 -6.455 6.346 8.561 1.00 15.00 H new ATOM 0 HE2 LYS A 54 -4.791 3.938 9.111 1.00 15.00 H new ATOM 0 HE3 LYS A 54 -5.541 4.664 10.519 1.00 15.00 H new ATOM 0 HZ1 LYS A 54 -7.335 3.514 9.928 1.00 15.00 H new ATOM 0 HZ2 LYS A 54 -7.552 4.646 8.681 1.00 15.00 H new ATOM 0 HZ3 LYS A 54 -6.742 3.186 8.371 1.00 15.00 H new ATOM 795 N GLY A 55 -4.389 2.164 5.822 1.00 15.00 N ATOM 796 CA GLY A 55 -4.818 0.775 5.746 1.00 15.00 C ATOM 797 C GLY A 55 -5.088 0.316 4.333 1.00 15.00 C ATOM 798 O GLY A 55 -5.951 -0.532 4.106 1.00 15.00 O ATOM 0 H GLY A 55 -3.547 2.319 6.377 1.00 15.00 H new ATOM 0 HA2 GLY A 55 -4.051 0.139 6.188 1.00 15.00 H new ATOM 0 HA3 GLY A 55 -5.721 0.647 6.342 1.00 15.00 H new ATOM 802 N ASP A 56 -4.349 0.863 3.378 1.00 15.00 N ATOM 803 CA ASP A 56 -4.528 0.477 1.988 1.00 15.00 C ATOM 804 C ASP A 56 -4.135 -0.981 1.792 1.00 15.00 C ATOM 805 O ASP A 56 -3.020 -1.383 2.130 1.00 15.00 O ATOM 806 CB ASP A 56 -3.706 1.379 1.064 1.00 15.00 C ATOM 807 CG ASP A 56 -4.549 2.451 0.402 1.00 15.00 C ATOM 808 OD1 ASP A 56 -5.770 2.494 0.659 1.00 15.00 O ATOM 809 OD2 ASP A 56 -3.986 3.248 -0.376 1.00 15.00 O ATOM 0 H ASP A 56 -3.628 1.567 3.538 1.00 15.00 H new ATOM 0 HA ASP A 56 -5.581 0.595 1.731 1.00 15.00 H new ATOM 0 HB2 ASP A 56 -2.908 1.851 1.637 1.00 15.00 H new ATOM 0 HB3 ASP A 56 -3.229 0.770 0.296 1.00 15.00 H new ATOM 814 N ARG A 57 -5.059 -1.771 1.250 1.00 15.00 N ATOM 815 CA ARG A 57 -4.810 -3.186 1.010 1.00 15.00 C ATOM 816 C ARG A 57 -4.038 -3.379 -0.288 1.00 15.00 C ATOM 817 O ARG A 57 -4.627 -3.465 -1.366 1.00 15.00 O ATOM 818 CB ARG A 57 -6.128 -3.961 0.956 1.00 15.00 C ATOM 819 CG ARG A 57 -6.052 -5.332 1.607 1.00 15.00 C ATOM 820 CD ARG A 57 -5.632 -6.400 0.611 1.00 15.00 C ATOM 821 NE ARG A 57 -5.890 -7.748 1.110 1.00 15.00 N ATOM 822 CZ ARG A 57 -7.079 -8.343 1.059 1.00 15.00 C ATOM 823 NH1 ARG A 57 -8.123 -7.713 0.535 1.00 15.00 N ATOM 824 NH2 ARG A 57 -7.225 -9.573 1.533 1.00 15.00 N ATOM 0 H ARG A 57 -5.987 -1.453 0.969 1.00 15.00 H new ATOM 0 HA ARG A 57 -4.211 -3.572 1.835 1.00 15.00 H new ATOM 0 HB2 ARG A 57 -6.905 -3.376 1.449 1.00 15.00 H new ATOM 0 HB3 ARG A 57 -6.429 -4.078 -0.085 1.00 15.00 H new ATOM 0 HG2 ARG A 57 -5.342 -5.304 2.433 1.00 15.00 H new ATOM 0 HG3 ARG A 57 -7.023 -5.589 2.030 1.00 15.00 H new ATOM 0 HD2 ARG A 57 -6.168 -6.252 -0.326 1.00 15.00 H new ATOM 0 HD3 ARG A 57 -4.570 -6.292 0.391 1.00 15.00 H new ATOM 0 HE ARG A 57 -5.113 -8.264 1.522 1.00 15.00 H new ATOM 0 HH11 ARG A 57 -8.017 -6.767 0.168 1.00 15.00 H new ATOM 0 HH12 ARG A 57 -9.032 -8.175 0.499 1.00 15.00 H new ATOM 0 HH21 ARG A 57 -6.426 -10.062 1.936 1.00 15.00 H new ATOM 0 HH22 ARG A 57 -8.136 -10.030 1.494 1.00 15.00 H new ATOM 838 N VAL A 58 -2.716 -3.433 -0.181 1.00 15.00 N ATOM 839 CA VAL A 58 -1.864 -3.601 -1.350 1.00 15.00 C ATOM 840 C VAL A 58 -1.713 -5.075 -1.722 1.00 15.00 C ATOM 841 O VAL A 58 -1.258 -5.892 -0.913 1.00 15.00 O ATOM 842 CB VAL A 58 -0.474 -2.957 -1.133 1.00 15.00 C ATOM 843 CG1 VAL A 58 -0.598 -1.671 -0.327 1.00 15.00 C ATOM 844 CG2 VAL A 58 0.486 -3.923 -0.451 1.00 15.00 C ATOM 0 H VAL A 58 -2.212 -3.363 0.703 1.00 15.00 H new ATOM 0 HA VAL A 58 -2.352 -3.088 -2.179 1.00 15.00 H new ATOM 0 HB VAL A 58 -0.064 -2.716 -2.114 1.00 15.00 H new ATOM 0 HG11 VAL A 58 0.390 -1.234 -0.185 1.00 15.00 H new ATOM 0 HG12 VAL A 58 -1.233 -0.966 -0.863 1.00 15.00 H new ATOM 0 HG13 VAL A 58 -1.040 -1.892 0.645 1.00 15.00 H new ATOM 0 HG21 VAL A 58 1.453 -3.439 -0.314 1.00 15.00 H new ATOM 0 HG22 VAL A 58 0.083 -4.211 0.520 1.00 15.00 H new ATOM 0 HG23 VAL A 58 0.610 -4.811 -1.071 1.00 15.00 H new ATOM 854 N LEU A 59 -2.119 -5.407 -2.947 1.00 15.00 N ATOM 855 CA LEU A 59 -2.048 -6.782 -3.436 1.00 15.00 C ATOM 856 C LEU A 59 -0.940 -6.977 -4.473 1.00 15.00 C ATOM 857 O LEU A 59 -0.511 -8.104 -4.718 1.00 15.00 O ATOM 858 CB LEU A 59 -3.390 -7.199 -4.039 1.00 15.00 C ATOM 859 CG LEU A 59 -4.522 -7.387 -3.030 1.00 15.00 C ATOM 860 CD1 LEU A 59 -4.096 -8.342 -1.925 1.00 15.00 C ATOM 861 CD2 LEU A 59 -4.942 -6.046 -2.448 1.00 15.00 C ATOM 0 H LEU A 59 -2.501 -4.741 -3.619 1.00 15.00 H new ATOM 0 HA LEU A 59 -1.813 -7.412 -2.578 1.00 15.00 H new ATOM 0 HB2 LEU A 59 -3.694 -6.446 -4.767 1.00 15.00 H new ATOM 0 HB3 LEU A 59 -3.251 -8.132 -4.585 1.00 15.00 H new ATOM 0 HG LEU A 59 -5.379 -7.821 -3.546 1.00 15.00 H new ATOM 0 HD11 LEU A 59 -4.914 -8.465 -1.215 1.00 15.00 H new ATOM 0 HD12 LEU A 59 -3.843 -9.310 -2.358 1.00 15.00 H new ATOM 0 HD13 LEU A 59 -3.225 -7.937 -1.409 1.00 15.00 H new ATOM 0 HD21 LEU A 59 -5.749 -6.197 -1.731 1.00 15.00 H new ATOM 0 HD22 LEU A 59 -4.092 -5.585 -1.945 1.00 15.00 H new ATOM 0 HD23 LEU A 59 -5.287 -5.393 -3.250 1.00 15.00 H new ATOM 873 N ALA A 60 -0.497 -5.892 -5.104 1.00 15.00 N ATOM 874 CA ALA A 60 0.538 -5.989 -6.132 1.00 15.00 C ATOM 875 C ALA A 60 1.439 -4.758 -6.174 1.00 15.00 C ATOM 876 O ALA A 60 1.032 -3.655 -5.813 1.00 15.00 O ATOM 877 CB ALA A 60 -0.107 -6.206 -7.492 1.00 15.00 C ATOM 0 H ALA A 60 -0.833 -4.946 -4.925 1.00 15.00 H new ATOM 0 HA ALA A 60 1.169 -6.840 -5.877 1.00 15.00 H new ATOM 0 HB1 ALA A 60 0.668 -6.278 -8.255 1.00 15.00 H new ATOM 0 HB2 ALA A 60 -0.687 -7.129 -7.476 1.00 15.00 H new ATOM 0 HB3 ALA A 60 -0.765 -5.367 -7.721 1.00 15.00 H new ATOM 883 N VAL A 61 2.664 -4.968 -6.647 1.00 15.00 N ATOM 884 CA VAL A 61 3.652 -3.903 -6.784 1.00 15.00 C ATOM 885 C VAL A 61 4.393 -4.081 -8.095 1.00 15.00 C ATOM 886 O VAL A 61 5.284 -4.923 -8.206 1.00 15.00 O ATOM 887 CB VAL A 61 4.669 -3.901 -5.628 1.00 15.00 C ATOM 888 CG1 VAL A 61 5.577 -2.685 -5.720 1.00 15.00 C ATOM 889 CG2 VAL A 61 3.954 -3.943 -4.289 1.00 15.00 C ATOM 0 H VAL A 61 3.000 -5.883 -6.947 1.00 15.00 H new ATOM 0 HA VAL A 61 3.121 -2.951 -6.762 1.00 15.00 H new ATOM 0 HB VAL A 61 5.288 -4.794 -5.710 1.00 15.00 H new ATOM 0 HG11 VAL A 61 6.289 -2.700 -4.895 1.00 15.00 H new ATOM 0 HG12 VAL A 61 6.117 -2.705 -6.667 1.00 15.00 H new ATOM 0 HG13 VAL A 61 4.976 -1.777 -5.664 1.00 15.00 H new ATOM 0 HG21 VAL A 61 4.689 -3.941 -3.484 1.00 15.00 H new ATOM 0 HG22 VAL A 61 3.309 -3.070 -4.194 1.00 15.00 H new ATOM 0 HG23 VAL A 61 3.350 -4.849 -4.227 1.00 15.00 H new ATOM 899 N ASN A 62 3.988 -3.318 -9.101 1.00 15.00 N ATOM 900 CA ASN A 62 4.586 -3.428 -10.420 1.00 15.00 C ATOM 901 C ASN A 62 4.272 -4.804 -11.011 1.00 15.00 C ATOM 902 O ASN A 62 4.898 -5.239 -11.977 1.00 15.00 O ATOM 903 CB ASN A 62 6.099 -3.201 -10.353 1.00 15.00 C ATOM 904 CG ASN A 62 6.466 -1.732 -10.449 1.00 15.00 C ATOM 905 OD1 ASN A 62 7.355 -1.352 -11.210 1.00 15.00 O ATOM 906 ND2 ASN A 62 5.780 -0.896 -9.674 1.00 15.00 N ATOM 0 H ASN A 62 3.249 -2.618 -9.027 1.00 15.00 H new ATOM 0 HA ASN A 62 4.163 -2.658 -11.065 1.00 15.00 H new ATOM 0 HB2 ASN A 62 6.484 -3.609 -9.419 1.00 15.00 H new ATOM 0 HB3 ASN A 62 6.582 -3.748 -11.163 1.00 15.00 H new ATOM 0 HD21 ASN A 62 5.983 0.103 -9.696 1.00 15.00 H new ATOM 0 HD22 ASN A 62 5.051 -1.254 -9.057 1.00 15.00 H new ATOM 913 N GLY A 63 3.280 -5.477 -10.418 1.00 15.00 N ATOM 914 CA GLY A 63 2.869 -6.788 -10.884 1.00 15.00 C ATOM 915 C GLY A 63 3.289 -7.920 -9.964 1.00 15.00 C ATOM 916 O GLY A 63 3.082 -9.090 -10.288 1.00 15.00 O ATOM 0 H GLY A 63 2.753 -5.129 -9.617 1.00 15.00 H new ATOM 0 HA2 GLY A 63 1.784 -6.802 -10.992 1.00 15.00 H new ATOM 0 HA3 GLY A 63 3.290 -6.961 -11.874 1.00 15.00 H new ATOM 920 N VAL A 64 3.865 -7.589 -8.812 1.00 15.00 N ATOM 921 CA VAL A 64 4.286 -8.612 -7.862 1.00 15.00 C ATOM 922 C VAL A 64 3.194 -8.871 -6.823 1.00 15.00 C ATOM 923 O VAL A 64 2.970 -8.065 -5.922 1.00 15.00 O ATOM 924 CB VAL A 64 5.610 -8.237 -7.159 1.00 15.00 C ATOM 925 CG1 VAL A 64 5.395 -7.162 -6.107 1.00 15.00 C ATOM 926 CG2 VAL A 64 6.254 -9.469 -6.544 1.00 15.00 C ATOM 0 H VAL A 64 4.049 -6.630 -8.516 1.00 15.00 H new ATOM 0 HA VAL A 64 4.458 -9.526 -8.431 1.00 15.00 H new ATOM 0 HB VAL A 64 6.285 -7.831 -7.913 1.00 15.00 H new ATOM 0 HG11 VAL A 64 6.346 -6.922 -5.632 1.00 15.00 H new ATOM 0 HG12 VAL A 64 4.989 -6.267 -6.579 1.00 15.00 H new ATOM 0 HG13 VAL A 64 4.695 -7.524 -5.354 1.00 15.00 H new ATOM 0 HG21 VAL A 64 7.185 -9.186 -6.053 1.00 15.00 H new ATOM 0 HG22 VAL A 64 5.576 -9.907 -5.811 1.00 15.00 H new ATOM 0 HG23 VAL A 64 6.463 -10.199 -7.326 1.00 15.00 H new ATOM 936 N SER A 65 2.510 -10.000 -6.965 1.00 15.00 N ATOM 937 CA SER A 65 1.434 -10.367 -6.049 1.00 15.00 C ATOM 938 C SER A 65 1.923 -10.381 -4.605 1.00 15.00 C ATOM 939 O SER A 65 2.955 -10.975 -4.292 1.00 15.00 O ATOM 940 CB SER A 65 0.866 -11.738 -6.421 1.00 15.00 C ATOM 941 OG SER A 65 -0.287 -11.609 -7.236 1.00 15.00 O ATOM 0 H SER A 65 2.681 -10.679 -7.707 1.00 15.00 H new ATOM 0 HA SER A 65 0.647 -9.618 -6.137 1.00 15.00 H new ATOM 0 HB2 SER A 65 1.624 -12.318 -6.947 1.00 15.00 H new ATOM 0 HB3 SER A 65 0.615 -12.289 -5.515 1.00 15.00 H new ATOM 0 HG SER A 65 -0.630 -12.499 -7.461 1.00 15.00 H new ATOM 947 N LEU A 66 1.172 -9.721 -3.730 1.00 15.00 N ATOM 948 CA LEU A 66 1.521 -9.654 -2.317 1.00 15.00 C ATOM 949 C LEU A 66 0.747 -10.693 -1.512 1.00 15.00 C ATOM 950 O LEU A 66 1.183 -11.107 -0.438 1.00 15.00 O ATOM 951 CB LEU A 66 1.243 -8.254 -1.767 1.00 15.00 C ATOM 952 CG LEU A 66 2.333 -7.695 -0.853 1.00 15.00 C ATOM 953 CD1 LEU A 66 2.546 -8.609 0.344 1.00 15.00 C ATOM 954 CD2 LEU A 66 3.630 -7.515 -1.627 1.00 15.00 C ATOM 0 H LEU A 66 0.316 -9.224 -3.976 1.00 15.00 H new ATOM 0 HA LEU A 66 2.585 -9.870 -2.222 1.00 15.00 H new ATOM 0 HB2 LEU A 66 1.106 -7.571 -2.605 1.00 15.00 H new ATOM 0 HB3 LEU A 66 0.303 -8.276 -1.216 1.00 15.00 H new ATOM 0 HG LEU A 66 2.012 -6.720 -0.485 1.00 15.00 H new ATOM 0 HD11 LEU A 66 3.326 -8.195 0.984 1.00 15.00 H new ATOM 0 HD12 LEU A 66 1.618 -8.690 0.910 1.00 15.00 H new ATOM 0 HD13 LEU A 66 2.848 -9.598 -0.002 1.00 15.00 H new ATOM 0 HD21 LEU A 66 4.397 -7.116 -0.963 1.00 15.00 H new ATOM 0 HD22 LEU A 66 3.955 -8.478 -2.021 1.00 15.00 H new ATOM 0 HD23 LEU A 66 3.468 -6.822 -2.452 1.00 15.00 H new ATOM 966 N GLU A 67 -0.404 -11.112 -2.036 1.00 15.00 N ATOM 967 CA GLU A 67 -1.238 -12.105 -1.364 1.00 15.00 C ATOM 968 C GLU A 67 -0.395 -13.271 -0.851 1.00 15.00 C ATOM 969 O GLU A 67 0.067 -14.106 -1.629 1.00 15.00 O ATOM 970 CB GLU A 67 -2.321 -12.617 -2.317 1.00 15.00 C ATOM 971 CG GLU A 67 -3.735 -12.371 -1.817 1.00 15.00 C ATOM 972 CD GLU A 67 -4.140 -13.332 -0.717 1.00 15.00 C ATOM 973 OE1 GLU A 67 -3.254 -13.760 0.053 1.00 15.00 O ATOM 974 OE2 GLU A 67 -5.342 -13.657 -0.625 1.00 15.00 O ATOM 0 H GLU A 67 -0.779 -10.779 -2.924 1.00 15.00 H new ATOM 0 HA GLU A 67 -1.714 -11.626 -0.508 1.00 15.00 H new ATOM 0 HB2 GLU A 67 -2.198 -12.135 -3.287 1.00 15.00 H new ATOM 0 HB3 GLU A 67 -2.180 -13.687 -2.473 1.00 15.00 H new ATOM 0 HG2 GLU A 67 -3.813 -11.348 -1.448 1.00 15.00 H new ATOM 0 HG3 GLU A 67 -4.432 -12.463 -2.650 1.00 15.00 H new ATOM 981 N GLY A 68 -0.196 -13.316 0.461 1.00 15.00 N ATOM 982 CA GLY A 68 0.596 -14.376 1.056 1.00 15.00 C ATOM 983 C GLY A 68 1.936 -13.878 1.562 1.00 15.00 C ATOM 984 O GLY A 68 2.986 -14.352 1.129 1.00 15.00 O ATOM 0 H GLY A 68 -0.569 -12.637 1.124 1.00 15.00 H new ATOM 0 HA2 GLY A 68 0.041 -14.822 1.882 1.00 15.00 H new ATOM 0 HA3 GLY A 68 0.758 -15.163 0.319 1.00 15.00 H new ATOM 988 N ALA A 69 1.897 -12.918 2.480 1.00 15.00 N ATOM 989 CA ALA A 69 3.112 -12.349 3.048 1.00 15.00 C ATOM 990 C ALA A 69 2.784 -11.396 4.195 1.00 15.00 C ATOM 991 O ALA A 69 1.621 -11.081 4.440 1.00 15.00 O ATOM 992 CB ALA A 69 3.908 -11.630 1.969 1.00 15.00 C ATOM 0 H ALA A 69 1.034 -12.517 2.847 1.00 15.00 H new ATOM 0 HA ALA A 69 3.717 -13.162 3.449 1.00 15.00 H new ATOM 0 HB1 ALA A 69 4.814 -11.209 2.405 1.00 15.00 H new ATOM 0 HB2 ALA A 69 4.178 -12.337 1.184 1.00 15.00 H new ATOM 0 HB3 ALA A 69 3.303 -10.829 1.544 1.00 15.00 H new ATOM 998 N THR A 70 3.816 -10.948 4.900 1.00 15.00 N ATOM 999 CA THR A 70 3.635 -10.036 6.025 1.00 15.00 C ATOM 1000 C THR A 70 3.768 -8.581 5.588 1.00 15.00 C ATOM 1001 O THR A 70 3.866 -8.281 4.398 1.00 15.00 O ATOM 1002 CB THR A 70 4.658 -10.341 7.120 1.00 15.00 C ATOM 1003 OG1 THR A 70 5.936 -9.847 6.762 1.00 15.00 O ATOM 1004 CG2 THR A 70 4.801 -11.819 7.412 1.00 15.00 C ATOM 0 H THR A 70 4.786 -11.201 4.713 1.00 15.00 H new ATOM 0 HA THR A 70 2.628 -10.184 6.415 1.00 15.00 H new ATOM 0 HB THR A 70 4.280 -9.847 8.015 1.00 15.00 H new ATOM 0 HG1 THR A 70 6.577 -10.050 7.475 1.00 15.00 H new ATOM 0 HG21 THR A 70 5.542 -11.965 8.198 1.00 15.00 H new ATOM 0 HG22 THR A 70 3.842 -12.220 7.739 1.00 15.00 H new ATOM 0 HG23 THR A 70 5.122 -12.339 6.509 1.00 15.00 H new ATOM 1012 N HIS A 71 3.770 -7.684 6.568 1.00 15.00 N ATOM 1013 CA HIS A 71 3.889 -6.254 6.313 1.00 15.00 C ATOM 1014 C HIS A 71 5.243 -5.929 5.691 1.00 15.00 C ATOM 1015 O HIS A 71 5.320 -5.398 4.583 1.00 15.00 O ATOM 1016 CB HIS A 71 3.680 -5.481 7.626 1.00 15.00 C ATOM 1017 CG HIS A 71 4.676 -4.391 7.890 1.00 15.00 C ATOM 1018 ND1 HIS A 71 5.378 -4.287 9.073 1.00 15.00 N ATOM 1019 CD2 HIS A 71 5.080 -3.352 7.124 1.00 15.00 C ATOM 1020 CE1 HIS A 71 6.168 -3.231 9.023 1.00 15.00 C ATOM 1021 NE2 HIS A 71 6.007 -2.647 7.851 1.00 15.00 N ATOM 0 H HIS A 71 3.690 -7.926 7.556 1.00 15.00 H new ATOM 0 HA HIS A 71 3.121 -5.950 5.602 1.00 15.00 H new ATOM 0 HB2 HIS A 71 2.681 -5.044 7.617 1.00 15.00 H new ATOM 0 HB3 HIS A 71 3.711 -6.189 8.455 1.00 15.00 H new ATOM 0 HD1 HIS A 71 5.299 -4.927 9.863 1.00 15.00 H new ATOM 0 HD2 HIS A 71 4.737 -3.120 6.126 1.00 15.00 H new ATOM 0 HE1 HIS A 71 6.833 -2.901 9.808 1.00 15.00 H new ATOM 1030 N LYS A 72 6.305 -6.256 6.413 1.00 15.00 N ATOM 1031 CA LYS A 72 7.662 -6.007 5.938 1.00 15.00 C ATOM 1032 C LYS A 72 7.859 -6.591 4.546 1.00 15.00 C ATOM 1033 O LYS A 72 8.597 -6.041 3.733 1.00 15.00 O ATOM 1034 CB LYS A 72 8.676 -6.608 6.910 1.00 15.00 C ATOM 1035 CG LYS A 72 10.105 -6.158 6.654 1.00 15.00 C ATOM 1036 CD LYS A 72 11.104 -7.016 7.415 1.00 15.00 C ATOM 1037 CE LYS A 72 11.007 -8.477 7.007 1.00 15.00 C ATOM 1038 NZ LYS A 72 12.177 -9.265 7.483 1.00 15.00 N ATOM 0 H LYS A 72 6.255 -6.695 7.332 1.00 15.00 H new ATOM 0 HA LYS A 72 7.818 -4.930 5.884 1.00 15.00 H new ATOM 0 HB2 LYS A 72 8.396 -6.337 7.928 1.00 15.00 H new ATOM 0 HB3 LYS A 72 8.629 -7.695 6.845 1.00 15.00 H new ATOM 0 HG2 LYS A 72 10.318 -6.210 5.586 1.00 15.00 H new ATOM 0 HG3 LYS A 72 10.218 -5.115 6.951 1.00 15.00 H new ATOM 0 HD2 LYS A 72 12.114 -6.651 7.229 1.00 15.00 H new ATOM 0 HD3 LYS A 72 10.924 -6.923 8.486 1.00 15.00 H new ATOM 0 HE2 LYS A 72 10.091 -8.907 7.412 1.00 15.00 H new ATOM 0 HE3 LYS A 72 10.939 -8.547 5.921 1.00 15.00 H new ATOM 0 HZ1 LYS A 72 12.073 -10.256 7.184 1.00 15.00 H new ATOM 0 HZ2 LYS A 72 13.049 -8.871 7.077 1.00 15.00 H new ATOM 0 HZ3 LYS A 72 12.227 -9.220 8.521 1.00 15.00 H new ATOM 1052 N GLN A 73 7.184 -7.701 4.269 1.00 15.00 N ATOM 1053 CA GLN A 73 7.286 -8.335 2.963 1.00 15.00 C ATOM 1054 C GLN A 73 6.835 -7.359 1.887 1.00 15.00 C ATOM 1055 O GLN A 73 7.555 -7.106 0.921 1.00 15.00 O ATOM 1056 CB GLN A 73 6.440 -9.608 2.915 1.00 15.00 C ATOM 1057 CG GLN A 73 6.986 -10.728 3.784 1.00 15.00 C ATOM 1058 CD GLN A 73 6.621 -12.104 3.262 1.00 15.00 C ATOM 1059 OE1 GLN A 73 5.874 -12.845 3.901 1.00 15.00 O ATOM 1060 NE2 GLN A 73 7.148 -12.454 2.094 1.00 15.00 N ATOM 0 H GLN A 73 6.565 -8.176 4.926 1.00 15.00 H new ATOM 0 HA GLN A 73 8.325 -8.612 2.784 1.00 15.00 H new ATOM 0 HB2 GLN A 73 5.425 -9.373 3.234 1.00 15.00 H new ATOM 0 HB3 GLN A 73 6.378 -9.956 1.884 1.00 15.00 H new ATOM 0 HG2 GLN A 73 8.071 -10.642 3.842 1.00 15.00 H new ATOM 0 HG3 GLN A 73 6.603 -10.615 4.798 1.00 15.00 H new ATOM 0 HE21 GLN A 73 7.762 -11.809 1.598 1.00 15.00 H new ATOM 0 HE22 GLN A 73 6.938 -13.368 1.693 1.00 15.00 H new ATOM 1069 N ALA A 74 5.649 -6.789 2.077 1.00 15.00 N ATOM 1070 CA ALA A 74 5.121 -5.814 1.136 1.00 15.00 C ATOM 1071 C ALA A 74 5.962 -4.548 1.171 1.00 15.00 C ATOM 1072 O ALA A 74 6.321 -4.002 0.130 1.00 15.00 O ATOM 1073 CB ALA A 74 3.675 -5.492 1.444 1.00 15.00 C ATOM 0 H ALA A 74 5.040 -6.986 2.871 1.00 15.00 H new ATOM 0 HA ALA A 74 5.166 -6.244 0.135 1.00 15.00 H new ATOM 0 HB1 ALA A 74 3.304 -4.761 0.726 1.00 15.00 H new ATOM 0 HB2 ALA A 74 3.078 -6.401 1.377 1.00 15.00 H new ATOM 0 HB3 ALA A 74 3.600 -5.082 2.451 1.00 15.00 H new ATOM 1079 N VAL A 75 6.293 -4.099 2.383 1.00 15.00 N ATOM 1080 CA VAL A 75 7.121 -2.910 2.565 1.00 15.00 C ATOM 1081 C VAL A 75 8.256 -2.931 1.556 1.00 15.00 C ATOM 1082 O VAL A 75 8.585 -1.919 0.940 1.00 15.00 O ATOM 1083 CB VAL A 75 7.682 -2.853 4.008 1.00 15.00 C ATOM 1084 CG1 VAL A 75 9.191 -3.072 4.047 1.00 15.00 C ATOM 1085 CG2 VAL A 75 7.322 -1.545 4.680 1.00 15.00 C ATOM 0 H VAL A 75 5.999 -4.543 3.253 1.00 15.00 H new ATOM 0 HA VAL A 75 6.511 -2.021 2.405 1.00 15.00 H new ATOM 0 HB VAL A 75 7.217 -3.670 4.560 1.00 15.00 H new ATOM 0 HG11 VAL A 75 9.539 -3.023 5.079 1.00 15.00 H new ATOM 0 HG12 VAL A 75 9.427 -4.051 3.630 1.00 15.00 H new ATOM 0 HG13 VAL A 75 9.686 -2.298 3.460 1.00 15.00 H new ATOM 0 HG21 VAL A 75 7.728 -1.532 5.691 1.00 15.00 H new ATOM 0 HG22 VAL A 75 7.741 -0.716 4.110 1.00 15.00 H new ATOM 0 HG23 VAL A 75 6.237 -1.445 4.723 1.00 15.00 H new ATOM 1095 N GLU A 76 8.825 -4.114 1.382 1.00 15.00 N ATOM 1096 CA GLU A 76 9.902 -4.309 0.434 1.00 15.00 C ATOM 1097 C GLU A 76 9.394 -4.132 -0.994 1.00 15.00 C ATOM 1098 O GLU A 76 10.035 -3.469 -1.805 1.00 15.00 O ATOM 1099 CB GLU A 76 10.517 -5.699 0.608 1.00 15.00 C ATOM 1100 CG GLU A 76 11.059 -5.953 2.006 1.00 15.00 C ATOM 1101 CD GLU A 76 11.134 -7.430 2.342 1.00 15.00 C ATOM 1102 OE1 GLU A 76 10.481 -8.232 1.642 1.00 15.00 O ATOM 1103 OE2 GLU A 76 11.847 -7.784 3.305 1.00 15.00 O ATOM 0 H GLU A 76 8.554 -4.956 1.890 1.00 15.00 H new ATOM 0 HA GLU A 76 10.670 -3.560 0.625 1.00 15.00 H new ATOM 0 HB2 GLU A 76 9.764 -6.452 0.377 1.00 15.00 H new ATOM 0 HB3 GLU A 76 11.324 -5.823 -0.114 1.00 15.00 H new ATOM 0 HG2 GLU A 76 12.053 -5.514 2.092 1.00 15.00 H new ATOM 0 HG3 GLU A 76 10.424 -5.450 2.735 1.00 15.00 H new ATOM 1110 N THR A 77 8.237 -4.724 -1.301 1.00 15.00 N ATOM 1111 CA THR A 77 7.664 -4.615 -2.641 1.00 15.00 C ATOM 1112 C THR A 77 7.294 -3.173 -2.977 1.00 15.00 C ATOM 1113 O THR A 77 7.740 -2.633 -3.989 1.00 15.00 O ATOM 1114 CB THR A 77 6.441 -5.516 -2.788 1.00 15.00 C ATOM 1115 OG1 THR A 77 5.507 -5.272 -1.754 1.00 15.00 O ATOM 1116 CG2 THR A 77 6.778 -6.990 -2.768 1.00 15.00 C ATOM 0 H THR A 77 7.685 -5.278 -0.646 1.00 15.00 H new ATOM 0 HA THR A 77 8.428 -4.943 -3.345 1.00 15.00 H new ATOM 0 HB THR A 77 6.019 -5.270 -3.763 1.00 15.00 H new ATOM 0 HG1 THR A 77 5.840 -4.555 -1.175 1.00 15.00 H new ATOM 0 HG21 THR A 77 5.864 -7.574 -2.877 1.00 15.00 H new ATOM 0 HG22 THR A 77 7.455 -7.220 -3.591 1.00 15.00 H new ATOM 0 HG23 THR A 77 7.258 -7.241 -1.822 1.00 15.00 H new ATOM 1124 N LEU A 78 6.478 -2.550 -2.126 1.00 15.00 N ATOM 1125 CA LEU A 78 6.059 -1.167 -2.350 1.00 15.00 C ATOM 1126 C LEU A 78 7.277 -0.281 -2.550 1.00 15.00 C ATOM 1127 O LEU A 78 7.327 0.538 -3.468 1.00 15.00 O ATOM 1128 CB LEU A 78 5.238 -0.642 -1.167 1.00 15.00 C ATOM 1129 CG LEU A 78 4.285 -1.650 -0.524 1.00 15.00 C ATOM 1130 CD1 LEU A 78 3.441 -0.974 0.546 1.00 15.00 C ATOM 1131 CD2 LEU A 78 3.399 -2.299 -1.578 1.00 15.00 C ATOM 0 H LEU A 78 6.097 -2.977 -1.282 1.00 15.00 H new ATOM 0 HA LEU A 78 5.436 -1.144 -3.244 1.00 15.00 H new ATOM 0 HB2 LEU A 78 5.926 -0.281 -0.402 1.00 15.00 H new ATOM 0 HB3 LEU A 78 4.657 0.216 -1.504 1.00 15.00 H new ATOM 0 HG LEU A 78 4.878 -2.432 -0.051 1.00 15.00 H new ATOM 0 HD11 LEU A 78 2.768 -1.705 0.994 1.00 15.00 H new ATOM 0 HD12 LEU A 78 4.092 -0.561 1.316 1.00 15.00 H new ATOM 0 HD13 LEU A 78 2.857 -0.171 0.096 1.00 15.00 H new ATOM 0 HD21 LEU A 78 2.728 -3.013 -1.100 1.00 15.00 H new ATOM 0 HD22 LEU A 78 2.812 -1.532 -2.083 1.00 15.00 H new ATOM 0 HD23 LEU A 78 4.021 -2.818 -2.307 1.00 15.00 H new ATOM 1143 N ARG A 79 8.259 -0.464 -1.682 1.00 15.00 N ATOM 1144 CA ARG A 79 9.493 0.297 -1.746 1.00 15.00 C ATOM 1145 C ARG A 79 10.299 -0.087 -2.986 1.00 15.00 C ATOM 1146 O ARG A 79 10.597 0.758 -3.830 1.00 15.00 O ATOM 1147 CB ARG A 79 10.310 0.052 -0.477 1.00 15.00 C ATOM 1148 CG ARG A 79 11.237 1.203 -0.115 1.00 15.00 C ATOM 1149 CD ARG A 79 10.934 1.759 1.269 1.00 15.00 C ATOM 1150 NE ARG A 79 12.107 1.725 2.140 1.00 15.00 N ATOM 1151 CZ ARG A 79 12.596 0.612 2.681 1.00 15.00 C ATOM 1152 NH1 ARG A 79 12.018 -0.559 2.443 1.00 15.00 N ATOM 1153 NH2 ARG A 79 13.665 0.669 3.463 1.00 15.00 N ATOM 0 H ARG A 79 8.223 -1.140 -0.919 1.00 15.00 H new ATOM 0 HA ARG A 79 9.253 1.358 -1.817 1.00 15.00 H new ATOM 0 HB2 ARG A 79 9.628 -0.129 0.354 1.00 15.00 H new ATOM 0 HB3 ARG A 79 10.903 -0.854 -0.606 1.00 15.00 H new ATOM 0 HG2 ARG A 79 12.272 0.862 -0.151 1.00 15.00 H new ATOM 0 HG3 ARG A 79 11.137 1.997 -0.855 1.00 15.00 H new ATOM 0 HD2 ARG A 79 10.579 2.786 1.178 1.00 15.00 H new ATOM 0 HD3 ARG A 79 10.128 1.183 1.723 1.00 15.00 H new ATOM 0 HE ARG A 79 12.578 2.606 2.345 1.00 15.00 H new ATOM 0 HH11 ARG A 79 11.195 -0.609 1.843 1.00 15.00 H new ATOM 0 HH12 ARG A 79 12.397 -1.409 2.860 1.00 15.00 H new ATOM 0 HH21 ARG A 79 14.113 1.566 3.650 1.00 15.00 H new ATOM 0 HH22 ARG A 79 14.040 -0.184 3.878 1.00 15.00 H new ATOM 1167 N ASN A 80 10.647 -1.368 -3.084 1.00 15.00 N ATOM 1168 CA ASN A 80 11.417 -1.879 -4.217 1.00 15.00 C ATOM 1169 C ASN A 80 10.628 -1.802 -5.525 1.00 15.00 C ATOM 1170 O ASN A 80 10.350 -2.827 -6.149 1.00 15.00 O ATOM 1171 CB ASN A 80 11.843 -3.327 -3.962 1.00 15.00 C ATOM 1172 CG ASN A 80 12.951 -3.433 -2.931 1.00 15.00 C ATOM 1173 OD1 ASN A 80 14.120 -3.610 -3.276 1.00 15.00 O ATOM 1174 ND2 ASN A 80 12.590 -3.326 -1.658 1.00 15.00 N ATOM 0 H ASN A 80 10.407 -2.075 -2.389 1.00 15.00 H new ATOM 0 HA ASN A 80 12.300 -1.248 -4.317 1.00 15.00 H new ATOM 0 HB2 ASN A 80 10.981 -3.902 -3.625 1.00 15.00 H new ATOM 0 HB3 ASN A 80 12.178 -3.774 -4.898 1.00 15.00 H new ATOM 0 HD21 ASN A 80 13.293 -3.390 -0.921 1.00 15.00 H new ATOM 0 HD22 ASN A 80 11.610 -3.180 -1.416 1.00 15.00 H new ATOM 1181 N THR A 81 10.279 -0.593 -5.949 1.00 15.00 N ATOM 1182 CA THR A 81 9.538 -0.415 -7.194 1.00 15.00 C ATOM 1183 C THR A 81 10.505 -0.179 -8.353 1.00 15.00 C ATOM 1184 O THR A 81 10.762 -1.081 -9.150 1.00 15.00 O ATOM 1185 CB THR A 81 8.548 0.747 -7.074 1.00 15.00 C ATOM 1186 OG1 THR A 81 8.785 1.490 -5.891 1.00 15.00 O ATOM 1187 CG2 THR A 81 7.100 0.298 -7.052 1.00 15.00 C ATOM 0 H THR A 81 10.495 0.273 -5.454 1.00 15.00 H new ATOM 0 HA THR A 81 8.970 -1.324 -7.392 1.00 15.00 H new ATOM 0 HB THR A 81 8.711 1.358 -7.962 1.00 15.00 H new ATOM 0 HG1 THR A 81 8.266 1.106 -5.154 1.00 15.00 H new ATOM 0 HG21 THR A 81 6.450 1.169 -6.965 1.00 15.00 H new ATOM 0 HG22 THR A 81 6.871 -0.236 -7.974 1.00 15.00 H new ATOM 0 HG23 THR A 81 6.937 -0.362 -6.200 1.00 15.00 H new ATOM 1195 N GLY A 82 11.050 1.032 -8.432 1.00 15.00 N ATOM 1196 CA GLY A 82 11.994 1.352 -9.484 1.00 15.00 C ATOM 1197 C GLY A 82 11.558 2.527 -10.335 1.00 15.00 C ATOM 1198 O GLY A 82 11.644 3.679 -9.913 1.00 15.00 O ATOM 0 H GLY A 82 10.854 1.796 -7.785 1.00 15.00 H new ATOM 0 HA2 GLY A 82 12.964 1.573 -9.039 1.00 15.00 H new ATOM 0 HA3 GLY A 82 12.128 0.479 -10.122 1.00 15.00 H new ATOM 1202 N GLN A 83 11.102 2.229 -11.542 1.00 15.00 N ATOM 1203 CA GLN A 83 10.659 3.268 -12.473 1.00 15.00 C ATOM 1204 C GLN A 83 9.428 3.998 -11.941 1.00 15.00 C ATOM 1205 O GLN A 83 9.541 5.063 -11.335 1.00 15.00 O ATOM 1206 CB GLN A 83 10.371 2.700 -13.879 1.00 15.00 C ATOM 1207 CG GLN A 83 10.460 1.183 -13.997 1.00 15.00 C ATOM 1208 CD GLN A 83 9.327 0.471 -13.283 1.00 15.00 C ATOM 1209 OE1 GLN A 83 9.325 0.356 -12.057 1.00 15.00 O ATOM 1210 NE2 GLN A 83 8.356 -0.013 -14.049 1.00 15.00 N ATOM 0 H GLN A 83 11.027 1.278 -11.904 1.00 15.00 H new ATOM 0 HA GLN A 83 11.479 3.981 -12.560 1.00 15.00 H new ATOM 0 HB2 GLN A 83 9.372 3.014 -14.183 1.00 15.00 H new ATOM 0 HB3 GLN A 83 11.073 3.145 -14.584 1.00 15.00 H new ATOM 0 HG2 GLN A 83 10.452 0.904 -15.051 1.00 15.00 H new ATOM 0 HG3 GLN A 83 11.411 0.846 -13.585 1.00 15.00 H new ATOM 0 HE21 GLN A 83 8.398 0.105 -15.061 1.00 15.00 H new ATOM 0 HE22 GLN A 83 7.568 -0.503 -13.625 1.00 15.00 H new ATOM 1219 N VAL A 84 8.253 3.422 -12.179 1.00 15.00 N ATOM 1220 CA VAL A 84 7.001 4.016 -11.730 1.00 15.00 C ATOM 1221 C VAL A 84 6.376 3.195 -10.606 1.00 15.00 C ATOM 1222 O VAL A 84 6.666 2.008 -10.450 1.00 15.00 O ATOM 1223 CB VAL A 84 5.998 4.146 -12.898 1.00 15.00 C ATOM 1224 CG1 VAL A 84 4.643 4.638 -12.409 1.00 15.00 C ATOM 1225 CG2 VAL A 84 6.550 5.080 -13.963 1.00 15.00 C ATOM 0 H VAL A 84 8.143 2.542 -12.682 1.00 15.00 H new ATOM 0 HA VAL A 84 7.231 5.012 -11.351 1.00 15.00 H new ATOM 0 HB VAL A 84 5.857 3.157 -13.334 1.00 15.00 H new ATOM 0 HG11 VAL A 84 3.959 4.719 -13.254 1.00 15.00 H new ATOM 0 HG12 VAL A 84 4.240 3.932 -11.682 1.00 15.00 H new ATOM 0 HG13 VAL A 84 4.758 5.615 -11.940 1.00 15.00 H new ATOM 0 HG21 VAL A 84 5.834 5.163 -14.781 1.00 15.00 H new ATOM 0 HG22 VAL A 84 6.722 6.065 -13.529 1.00 15.00 H new ATOM 0 HG23 VAL A 84 7.491 4.682 -14.344 1.00 15.00 H new ATOM 1235 N VAL A 85 5.508 3.829 -9.831 1.00 15.00 N ATOM 1236 CA VAL A 85 4.840 3.157 -8.732 1.00 15.00 C ATOM 1237 C VAL A 85 3.450 2.697 -9.162 1.00 15.00 C ATOM 1238 O VAL A 85 2.451 3.371 -8.914 1.00 15.00 O ATOM 1239 CB VAL A 85 4.742 4.084 -7.495 1.00 15.00 C ATOM 1240 CG1 VAL A 85 3.595 3.684 -6.577 1.00 15.00 C ATOM 1241 CG2 VAL A 85 6.057 4.090 -6.732 1.00 15.00 C ATOM 0 H VAL A 85 5.251 4.810 -9.945 1.00 15.00 H new ATOM 0 HA VAL A 85 5.430 2.283 -8.456 1.00 15.00 H new ATOM 0 HB VAL A 85 4.536 5.092 -7.855 1.00 15.00 H new ATOM 0 HG11 VAL A 85 3.561 4.359 -5.722 1.00 15.00 H new ATOM 0 HG12 VAL A 85 2.654 3.743 -7.124 1.00 15.00 H new ATOM 0 HG13 VAL A 85 3.748 2.663 -6.227 1.00 15.00 H new ATOM 0 HG21 VAL A 85 5.972 4.746 -5.866 1.00 15.00 H new ATOM 0 HG22 VAL A 85 6.289 3.078 -6.400 1.00 15.00 H new ATOM 0 HG23 VAL A 85 6.854 4.450 -7.383 1.00 15.00 H new ATOM 1251 N HIS A 86 3.401 1.540 -9.813 1.00 15.00 N ATOM 1252 CA HIS A 86 2.139 0.975 -10.280 1.00 15.00 C ATOM 1253 C HIS A 86 1.659 -0.107 -9.321 1.00 15.00 C ATOM 1254 O HIS A 86 1.882 -1.297 -9.546 1.00 15.00 O ATOM 1255 CB HIS A 86 2.299 0.398 -11.688 1.00 15.00 C ATOM 1256 CG HIS A 86 1.023 0.370 -12.472 1.00 15.00 C ATOM 1257 ND1 HIS A 86 -0.211 0.619 -11.910 1.00 15.00 N ATOM 1258 CD2 HIS A 86 0.794 0.121 -13.784 1.00 15.00 C ATOM 1259 CE1 HIS A 86 -1.144 0.524 -12.841 1.00 15.00 C ATOM 1260 NE2 HIS A 86 -0.560 0.223 -13.986 1.00 15.00 N ATOM 0 H HIS A 86 4.221 0.974 -10.030 1.00 15.00 H new ATOM 0 HA HIS A 86 1.395 1.771 -10.313 1.00 15.00 H new ATOM 0 HB2 HIS A 86 3.037 0.988 -12.232 1.00 15.00 H new ATOM 0 HB3 HIS A 86 2.693 -0.616 -11.614 1.00 15.00 H new ATOM 0 HD2 HIS A 86 1.538 -0.114 -14.531 1.00 15.00 H new ATOM 0 HE1 HIS A 86 -2.204 0.668 -12.691 1.00 15.00 H new ATOM 0 HE2 HIS A 86 -1.038 0.088 -14.877 1.00 15.00 H new ATOM 1269 N LEU A 87 1.015 0.319 -8.241 1.00 15.00 N ATOM 1270 CA LEU A 87 0.519 -0.603 -7.229 1.00 15.00 C ATOM 1271 C LEU A 87 -0.991 -0.796 -7.328 1.00 15.00 C ATOM 1272 O LEU A 87 -1.750 0.168 -7.305 1.00 15.00 O ATOM 1273 CB LEU A 87 0.875 -0.079 -5.837 1.00 15.00 C ATOM 1274 CG LEU A 87 1.849 -0.950 -5.049 1.00 15.00 C ATOM 1275 CD1 LEU A 87 2.984 -0.113 -4.474 1.00 15.00 C ATOM 1276 CD2 LEU A 87 1.114 -1.692 -3.943 1.00 15.00 C ATOM 0 H LEU A 87 0.824 1.301 -8.044 1.00 15.00 H new ATOM 0 HA LEU A 87 0.993 -1.570 -7.400 1.00 15.00 H new ATOM 0 HB2 LEU A 87 1.304 0.918 -5.939 1.00 15.00 H new ATOM 0 HB3 LEU A 87 -0.043 0.027 -5.259 1.00 15.00 H new ATOM 0 HG LEU A 87 2.284 -1.682 -5.729 1.00 15.00 H new ATOM 0 HD11 LEU A 87 3.665 -0.757 -3.917 1.00 15.00 H new ATOM 0 HD12 LEU A 87 3.526 0.372 -5.286 1.00 15.00 H new ATOM 0 HD13 LEU A 87 2.575 0.646 -3.807 1.00 15.00 H new ATOM 0 HD21 LEU A 87 1.820 -2.310 -3.388 1.00 15.00 H new ATOM 0 HD22 LEU A 87 0.652 -0.973 -3.267 1.00 15.00 H new ATOM 0 HD23 LEU A 87 0.343 -2.326 -4.380 1.00 15.00 H new ATOM 1288 N LEU A 88 -1.420 -2.049 -7.408 1.00 15.00 N ATOM 1289 CA LEU A 88 -2.842 -2.366 -7.473 1.00 15.00 C ATOM 1290 C LEU A 88 -3.314 -2.844 -6.106 1.00 15.00 C ATOM 1291 O LEU A 88 -3.078 -3.990 -5.722 1.00 15.00 O ATOM 1292 CB LEU A 88 -3.114 -3.440 -8.531 1.00 15.00 C ATOM 1293 CG LEU A 88 -2.361 -3.271 -9.855 1.00 15.00 C ATOM 1294 CD1 LEU A 88 -2.335 -1.811 -10.286 1.00 15.00 C ATOM 1295 CD2 LEU A 88 -0.945 -3.820 -9.739 1.00 15.00 C ATOM 0 H LEU A 88 -0.805 -2.862 -7.429 1.00 15.00 H new ATOM 0 HA LEU A 88 -3.391 -1.468 -7.756 1.00 15.00 H new ATOM 0 HB2 LEU A 88 -2.858 -4.412 -8.110 1.00 15.00 H new ATOM 0 HB3 LEU A 88 -4.183 -3.455 -8.741 1.00 15.00 H new ATOM 0 HG LEU A 88 -2.891 -3.839 -10.620 1.00 15.00 H new ATOM 0 HD11 LEU A 88 -1.795 -1.719 -11.228 1.00 15.00 H new ATOM 0 HD12 LEU A 88 -3.356 -1.452 -10.417 1.00 15.00 H new ATOM 0 HD13 LEU A 88 -1.836 -1.215 -9.522 1.00 15.00 H new ATOM 0 HD21 LEU A 88 -0.426 -3.691 -10.689 1.00 15.00 H new ATOM 0 HD22 LEU A 88 -0.409 -3.282 -8.957 1.00 15.00 H new ATOM 0 HD23 LEU A 88 -0.985 -4.880 -9.488 1.00 15.00 H new ATOM 1307 N LEU A 89 -3.956 -1.952 -5.363 1.00 15.00 N ATOM 1308 CA LEU A 89 -4.432 -2.275 -4.023 1.00 15.00 C ATOM 1309 C LEU A 89 -5.940 -2.485 -3.994 1.00 15.00 C ATOM 1310 O LEU A 89 -6.577 -2.702 -5.024 1.00 15.00 O ATOM 1311 CB LEU A 89 -4.061 -1.159 -3.042 1.00 15.00 C ATOM 1312 CG LEU A 89 -3.036 -0.159 -3.555 1.00 15.00 C ATOM 1313 CD1 LEU A 89 -2.982 1.059 -2.653 1.00 15.00 C ATOM 1314 CD2 LEU A 89 -1.679 -0.817 -3.650 1.00 15.00 C ATOM 0 H LEU A 89 -4.159 -0.999 -5.665 1.00 15.00 H new ATOM 0 HA LEU A 89 -3.949 -3.206 -3.726 1.00 15.00 H new ATOM 0 HB2 LEU A 89 -4.968 -0.619 -2.772 1.00 15.00 H new ATOM 0 HB3 LEU A 89 -3.676 -1.613 -2.129 1.00 15.00 H new ATOM 0 HG LEU A 89 -3.333 0.173 -4.550 1.00 15.00 H new ATOM 0 HD11 LEU A 89 -2.243 1.763 -3.036 1.00 15.00 H new ATOM 0 HD12 LEU A 89 -3.961 1.538 -2.629 1.00 15.00 H new ATOM 0 HD13 LEU A 89 -2.703 0.753 -1.645 1.00 15.00 H new ATOM 0 HD21 LEU A 89 -0.950 -0.095 -4.018 1.00 15.00 H new ATOM 0 HD22 LEU A 89 -1.376 -1.169 -2.664 1.00 15.00 H new ATOM 0 HD23 LEU A 89 -1.732 -1.662 -4.337 1.00 15.00 H new ATOM 1326 N GLU A 90 -6.497 -2.400 -2.791 1.00 15.00 N ATOM 1327 CA GLU A 90 -7.929 -2.558 -2.583 1.00 15.00 C ATOM 1328 C GLU A 90 -8.411 -1.573 -1.521 1.00 15.00 C ATOM 1329 O GLU A 90 -7.771 -1.404 -0.484 1.00 15.00 O ATOM 1330 CB GLU A 90 -8.251 -4.003 -2.175 1.00 15.00 C ATOM 1331 CG GLU A 90 -9.398 -4.138 -1.184 1.00 15.00 C ATOM 1332 CD GLU A 90 -9.848 -5.574 -1.004 1.00 15.00 C ATOM 1333 OE1 GLU A 90 -9.551 -6.404 -1.889 1.00 15.00 O ATOM 1334 OE2 GLU A 90 -10.497 -5.869 0.021 1.00 15.00 O ATOM 0 H GLU A 90 -5.970 -2.220 -1.937 1.00 15.00 H new ATOM 0 HA GLU A 90 -8.451 -2.345 -3.516 1.00 15.00 H new ATOM 0 HB2 GLU A 90 -8.492 -4.575 -3.071 1.00 15.00 H new ATOM 0 HB3 GLU A 90 -7.358 -4.452 -1.741 1.00 15.00 H new ATOM 0 HG2 GLU A 90 -9.089 -3.735 -0.220 1.00 15.00 H new ATOM 0 HG3 GLU A 90 -10.241 -3.537 -1.526 1.00 15.00 H new ATOM 1341 N LYS A 91 -9.539 -0.921 -1.788 1.00 15.00 N ATOM 1342 CA LYS A 91 -10.098 0.052 -0.855 1.00 15.00 C ATOM 1343 C LYS A 91 -10.120 -0.499 0.569 1.00 15.00 C ATOM 1344 O LYS A 91 -10.941 -1.352 0.905 1.00 15.00 O ATOM 1345 CB LYS A 91 -11.510 0.448 -1.284 1.00 15.00 C ATOM 1346 CG LYS A 91 -11.974 1.769 -0.694 1.00 15.00 C ATOM 1347 CD LYS A 91 -11.220 2.945 -1.295 1.00 15.00 C ATOM 1348 CE LYS A 91 -11.587 3.156 -2.755 1.00 15.00 C ATOM 1349 NZ LYS A 91 -12.457 4.350 -2.943 1.00 15.00 N ATOM 0 H LYS A 91 -10.083 -1.049 -2.641 1.00 15.00 H new ATOM 0 HA LYS A 91 -9.459 0.935 -0.869 1.00 15.00 H new ATOM 0 HB2 LYS A 91 -11.546 0.512 -2.372 1.00 15.00 H new ATOM 0 HB3 LYS A 91 -12.205 -0.338 -0.988 1.00 15.00 H new ATOM 0 HG2 LYS A 91 -13.042 1.892 -0.871 1.00 15.00 H new ATOM 0 HG3 LYS A 91 -11.829 1.757 0.386 1.00 15.00 H new ATOM 0 HD2 LYS A 91 -11.443 3.849 -0.729 1.00 15.00 H new ATOM 0 HD3 LYS A 91 -10.147 2.772 -1.210 1.00 15.00 H new ATOM 0 HE2 LYS A 91 -10.678 3.273 -3.344 1.00 15.00 H new ATOM 0 HE3 LYS A 91 -12.099 2.271 -3.132 1.00 15.00 H new ATOM 0 HZ1 LYS A 91 -12.684 4.458 -3.952 1.00 15.00 H new ATOM 0 HZ2 LYS A 91 -13.336 4.228 -2.401 1.00 15.00 H new ATOM 0 HZ3 LYS A 91 -11.959 5.199 -2.607 1.00 15.00 H new ATOM 1363 N GLY A 92 -9.206 -0.005 1.397 1.00 15.00 N ATOM 1364 CA GLY A 92 -9.126 -0.455 2.774 1.00 15.00 C ATOM 1365 C GLY A 92 -10.272 0.058 3.623 1.00 15.00 C ATOM 1366 O GLY A 92 -11.312 0.457 3.099 1.00 15.00 O ATOM 0 H GLY A 92 -8.517 0.701 1.138 1.00 15.00 H new ATOM 0 HA2 GLY A 92 -9.122 -1.545 2.796 1.00 15.00 H new ATOM 0 HA3 GLY A 92 -8.182 -0.124 3.206 1.00 15.00 H new ATOM 1370 N GLN A 93 -10.081 0.048 4.939 1.00 15.00 N ATOM 1371 CA GLN A 93 -11.106 0.515 5.864 1.00 15.00 C ATOM 1372 C GLN A 93 -11.166 2.039 5.884 1.00 15.00 C ATOM 1373 O GLN A 93 -10.157 2.708 6.113 1.00 15.00 O ATOM 1374 CB GLN A 93 -10.830 -0.014 7.273 1.00 15.00 C ATOM 1375 CG GLN A 93 -11.516 -1.337 7.572 1.00 15.00 C ATOM 1376 CD GLN A 93 -11.235 -1.835 8.976 1.00 15.00 C ATOM 1377 OE1 GLN A 93 -10.163 -2.373 9.254 1.00 15.00 O ATOM 1378 NE2 GLN A 93 -12.201 -1.658 9.871 1.00 15.00 N ATOM 0 H GLN A 93 -9.225 -0.279 5.388 1.00 15.00 H new ATOM 0 HA GLN A 93 -12.069 0.135 5.523 1.00 15.00 H new ATOM 0 HB2 GLN A 93 -9.754 -0.135 7.402 1.00 15.00 H new ATOM 0 HB3 GLN A 93 -11.157 0.728 8.001 1.00 15.00 H new ATOM 0 HG2 GLN A 93 -12.592 -1.222 7.440 1.00 15.00 H new ATOM 0 HG3 GLN A 93 -11.184 -2.085 6.852 1.00 15.00 H new ATOM 0 HE21 GLN A 93 -13.074 -1.207 9.597 1.00 15.00 H new ATOM 0 HE22 GLN A 93 -12.070 -1.973 10.832 1.00 15.00 H new ATOM 1387 N SER A 94 -12.354 2.583 5.641 1.00 15.00 N ATOM 1388 CA SER A 94 -12.545 4.029 5.631 1.00 15.00 C ATOM 1389 C SER A 94 -12.655 4.573 7.053 1.00 15.00 C ATOM 1390 O SER A 94 -12.943 3.830 7.991 1.00 15.00 O ATOM 1391 CB SER A 94 -13.799 4.392 4.834 1.00 15.00 C ATOM 1392 OG SER A 94 -14.963 3.860 5.443 1.00 15.00 O ATOM 0 H SER A 94 -13.199 2.045 5.448 1.00 15.00 H new ATOM 0 HA SER A 94 -11.676 4.483 5.154 1.00 15.00 H new ATOM 0 HB2 SER A 94 -13.886 5.476 4.761 1.00 15.00 H new ATOM 0 HB3 SER A 94 -13.710 4.010 3.817 1.00 15.00 H new ATOM 0 HG SER A 94 -15.751 4.108 4.915 1.00 15.00 H new ATOM 1398 N PRO A 95 -12.427 5.886 7.232 1.00 15.00 N ATOM 1399 CA PRO A 95 -12.502 6.529 8.548 1.00 15.00 C ATOM 1400 C PRO A 95 -13.806 6.213 9.273 1.00 15.00 C ATOM 1401 O PRO A 95 -14.846 6.021 8.644 1.00 15.00 O ATOM 1402 CB PRO A 95 -12.419 8.021 8.220 1.00 15.00 C ATOM 1403 CG PRO A 95 -11.686 8.083 6.925 1.00 15.00 C ATOM 1404 CD PRO A 95 -12.078 6.845 6.166 1.00 15.00 C ATOM 0 HA PRO A 95 -11.714 6.183 9.217 1.00 15.00 H new ATOM 0 HB2 PRO A 95 -13.411 8.464 8.135 1.00 15.00 H new ATOM 0 HB3 PRO A 95 -11.891 8.569 9.000 1.00 15.00 H new ATOM 0 HG2 PRO A 95 -11.952 8.982 6.369 1.00 15.00 H new ATOM 0 HG3 PRO A 95 -10.609 8.116 7.088 1.00 15.00 H new ATOM 0 HD2 PRO A 95 -12.922 7.031 5.501 1.00 15.00 H new ATOM 0 HD3 PRO A 95 -11.260 6.477 5.547 1.00 15.00 H new ATOM 1412 N THR A 96 -13.742 6.162 10.599 1.00 15.00 N ATOM 1413 CA THR A 96 -14.918 5.869 11.410 1.00 15.00 C ATOM 1414 C THR A 96 -15.625 7.155 11.826 1.00 15.00 C ATOM 1415 O THR A 96 -16.782 7.070 12.290 1.00 15.00 O ATOM 1416 CB THR A 96 -14.522 5.067 12.650 1.00 15.00 C ATOM 1417 OG1 THR A 96 -15.651 4.822 13.470 1.00 15.00 O ATOM 1418 CG2 THR A 96 -13.478 5.757 13.501 1.00 15.00 C ATOM 1419 OXT THR A 96 -15.017 8.237 11.684 1.00 15.00 O ATOM 0 H THR A 96 -12.889 6.320 11.135 1.00 15.00 H new ATOM 0 HA THR A 96 -15.606 5.276 10.807 1.00 15.00 H new ATOM 0 HB THR A 96 -14.100 4.137 12.270 1.00 15.00 H new ATOM 0 HG1 THR A 96 -16.363 5.456 13.244 1.00 15.00 H new ATOM 0 HG21 THR A 96 -13.243 5.134 14.364 1.00 15.00 H new ATOM 0 HG22 THR A 96 -12.575 5.916 12.911 1.00 15.00 H new ATOM 0 HG23 THR A 96 -13.863 6.718 13.841 1.00 15.00 H new TER 1427 THR A 96