USER MOD reduce.3.24.130724 H: found=0, std=0, add=992, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 993 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 102 LYS NZ :NH3+ -122:sc= -0.0449 (180deg=0) USER MOD Set 1.2: A 107 LYS NZ :NH3+ -151:sc= -0.525 (180deg=-0.0634) USER MOD Set 1.3: A 109 THR OG1 : rot 180:sc= -1.86! USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -1.18! C(o=-1.2!,f=-8!) USER MOD Single : A 20 THR OG1 : rot 65:sc= 0.516 USER MOD Single : A 21 LYS NZ :NH3+ -162:sc= -0.735 (180deg=-1.01) USER MOD Single : A 23 THR OG1 : rot 169:sc= 0.419 USER MOD Single : A 26 LYS NZ :NH3+ -148:sc= -3.44! (180deg=-5.01!) USER MOD Single : A 27 CYS SG : rot 112:sc= -4.15! USER MOD Single : A 30 SER OG : rot 84:sc= 1.27 USER MOD Single : A 32 SER OG : rot -170:sc= -0.228 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 34 MET CE :methyl -147:sc= -1.23 (180deg=-4.3!) USER MOD Single : A 36 ASN : amide:sc= -0.0106 X(o=-0.011,f=-0.016) USER MOD Single : A 40 GLN : amide:sc= -0.314 X(o=-0.31,f=-0.12) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -177:sc= -2.67 (180deg=-2.79) USER MOD Single : A 56 GLN : amide:sc= -0.156 X(o=-0.16,f=-0.018) USER MOD Single : A 59 GLN : amide:sc= -2.15 K(o=-2.2,f=-2.8!) USER MOD Single : A 62 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0764) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.0819 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot -48:sc= 0.894 USER MOD Single : A 80 GLN : amide:sc= -0.079 X(o=-0.079,f=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 92 HIS : no HD1:sc= -0.0152 X(o=-0.015,f=-0.00055) USER MOD Single : A 93 THR OG1 : rot 28:sc= 0.897 USER MOD Single : A 105 SER OG : rot -40:sc= 0.454 USER MOD Single : A 106 THR OG1 : rot 77:sc= 0.0212 USER MOD Single : A 108 HIS : no HD1:sc= -0.373 K(o=-0.37,f=-1.2) USER MOD Single : A 111 GLN :FLIP amide:sc= -0.902 F(o=-2.9,f=-0.9) USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 SER OG : rot 8:sc= -4.67! USER MOD Single : A 122 LYS NZ :NH3+ 158:sc= -4.25 (180deg=-5.4!) USER MOD Single : A 123 MET CE :methyl -159:sc= -1.82 (180deg=-2.56!) USER MOD Single : A 124 THR OG1 : rot -150:sc= -1.21! USER MOD ----------------------------------------------------------------- ATOM 21 N LEU A 3 -15.885 3.911 14.356 1.00 0.00 N ATOM 22 CA LEU A 3 -14.761 4.657 13.747 1.00 0.00 C ATOM 23 C LEU A 3 -13.620 4.906 14.750 1.00 0.00 C ATOM 24 O LEU A 3 -13.164 6.044 14.932 1.00 0.00 O ATOM 25 CB LEU A 3 -15.246 5.992 13.129 1.00 0.00 C ATOM 26 CG LEU A 3 -16.045 5.876 11.826 1.00 0.00 C ATOM 27 CD1 LEU A 3 -17.499 5.503 12.099 1.00 0.00 C ATOM 28 CD2 LEU A 3 -15.971 7.181 11.046 1.00 0.00 C ATOM 0 HA LEU A 3 -14.362 4.032 12.948 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -15.862 6.508 13.865 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -14.376 6.622 12.944 1.00 0.00 H new ATOM 0 HG LEU A 3 -15.602 5.079 11.228 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -18.039 5.429 11.155 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -17.538 4.544 12.616 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -17.961 6.270 12.721 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -16.542 7.086 10.123 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -16.387 7.989 11.648 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -14.931 7.404 10.808 1.00 0.00 H new ATOM 40 N THR A 4 -13.169 3.827 15.409 1.00 0.00 N ATOM 41 CA THR A 4 -12.069 3.899 16.389 1.00 0.00 C ATOM 42 C THR A 4 -11.591 2.492 16.790 1.00 0.00 C ATOM 43 O THR A 4 -12.187 1.841 17.656 1.00 0.00 O ATOM 44 CB THR A 4 -12.437 4.748 17.661 1.00 0.00 C ATOM 45 OG1 THR A 4 -11.395 4.661 18.643 1.00 0.00 O ATOM 46 CG2 THR A 4 -13.767 4.326 18.292 1.00 0.00 C ATOM 0 H THR A 4 -13.550 2.889 15.281 1.00 0.00 H new ATOM 0 HA THR A 4 -11.249 4.418 15.893 1.00 0.00 H new ATOM 0 HB THR A 4 -12.545 5.778 17.322 1.00 0.00 H new ATOM 0 HG1 THR A 4 -11.639 5.196 19.427 1.00 0.00 H new ATOM 0 HG21 THR A 4 -13.968 4.946 19.165 1.00 0.00 H new ATOM 0 HG22 THR A 4 -14.570 4.450 17.566 1.00 0.00 H new ATOM 0 HG23 THR A 4 -13.710 3.280 18.595 1.00 0.00 H new ATOM 54 N GLY A 5 -10.521 2.030 16.130 1.00 0.00 N ATOM 55 CA GLY A 5 -9.967 0.715 16.425 1.00 0.00 C ATOM 56 C GLY A 5 -8.453 0.661 16.299 1.00 0.00 C ATOM 57 O GLY A 5 -7.743 1.317 17.065 1.00 0.00 O ATOM 0 H GLY A 5 -10.031 2.545 15.398 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -10.251 0.427 17.437 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -10.408 -0.018 15.749 1.00 0.00 H new ATOM 61 N ALA A 6 -7.965 -0.125 15.328 1.00 0.00 N ATOM 62 CA ALA A 6 -6.522 -0.288 15.107 1.00 0.00 C ATOM 63 C ALA A 6 -6.071 0.202 13.721 1.00 0.00 C ATOM 64 O ALA A 6 -4.876 0.156 13.405 1.00 0.00 O ATOM 65 CB ALA A 6 -6.134 -1.747 15.308 1.00 0.00 C ATOM 0 H ALA A 6 -8.549 -0.658 14.684 1.00 0.00 H new ATOM 0 HA ALA A 6 -6.009 0.336 15.838 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -5.063 -1.865 15.143 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -6.380 -2.052 16.325 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -6.681 -2.370 14.600 1.00 0.00 H new ATOM 71 N LEU A 7 -7.020 0.680 12.907 1.00 0.00 N ATOM 72 CA LEU A 7 -6.717 1.183 11.567 1.00 0.00 C ATOM 73 C LEU A 7 -6.712 2.708 11.607 1.00 0.00 C ATOM 74 O LEU A 7 -7.545 3.372 10.975 1.00 0.00 O ATOM 75 CB LEU A 7 -7.751 0.659 10.553 1.00 0.00 C ATOM 76 CG LEU A 7 -7.262 0.451 9.115 1.00 0.00 C ATOM 77 CD1 LEU A 7 -8.252 -0.421 8.359 1.00 0.00 C ATOM 78 CD2 LEU A 7 -7.076 1.779 8.382 1.00 0.00 C ATOM 0 H LEU A 7 -8.008 0.728 13.157 1.00 0.00 H new ATOM 0 HA LEU A 7 -5.736 0.829 11.249 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -8.137 -0.291 10.922 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -8.588 1.356 10.530 1.00 0.00 H new ATOM 0 HG LEU A 7 -6.291 -0.042 9.159 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -7.902 -0.567 7.337 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -8.338 -1.388 8.855 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -9.227 0.066 8.342 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.729 1.589 7.367 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -8.027 2.311 8.347 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -6.340 2.386 8.909 1.00 0.00 H new ATOM 90 N ALA A 8 -5.754 3.267 12.377 1.00 0.00 N ATOM 91 CA ALA A 8 -5.635 4.727 12.582 1.00 0.00 C ATOM 92 C ALA A 8 -6.931 5.266 13.215 1.00 0.00 C ATOM 93 O ALA A 8 -7.313 6.426 13.020 1.00 0.00 O ATOM 94 CB ALA A 8 -5.300 5.453 11.272 1.00 0.00 C ATOM 0 H ALA A 8 -5.046 2.724 12.871 1.00 0.00 H new ATOM 0 HA ALA A 8 -4.808 4.920 13.265 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -5.220 6.524 11.460 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -4.353 5.081 10.882 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -6.089 5.270 10.543 1.00 0.00 H new ATOM 100 N MET A 9 -7.588 4.372 13.998 1.00 0.00 N ATOM 101 CA MET A 9 -8.867 4.634 14.691 1.00 0.00 C ATOM 102 C MET A 9 -10.042 4.605 13.695 1.00 0.00 C ATOM 103 O MET A 9 -10.943 5.448 13.746 1.00 0.00 O ATOM 104 CB MET A 9 -8.841 5.958 15.496 1.00 0.00 C ATOM 105 CG MET A 9 -7.912 5.926 16.703 1.00 0.00 C ATOM 106 SD MET A 9 -7.942 7.460 17.656 1.00 0.00 S ATOM 107 CE MET A 9 -6.875 8.512 16.671 1.00 0.00 C ATOM 0 H MET A 9 -7.232 3.431 14.166 1.00 0.00 H new ATOM 0 HA MET A 9 -9.012 3.833 15.416 1.00 0.00 H new ATOM 0 HB2 MET A 9 -8.534 6.768 14.835 1.00 0.00 H new ATOM 0 HB3 MET A 9 -9.852 6.187 15.833 1.00 0.00 H new ATOM 0 HG2 MET A 9 -8.195 5.096 17.351 1.00 0.00 H new ATOM 0 HG3 MET A 9 -6.893 5.734 16.366 1.00 0.00 H new ATOM 0 HE1 MET A 9 -6.800 9.494 17.139 1.00 0.00 H new ATOM 0 HE2 MET A 9 -5.883 8.065 16.605 1.00 0.00 H new ATOM 0 HE3 MET A 9 -7.292 8.618 15.670 1.00 0.00 H new ATOM 117 N ARG A 10 -10.007 3.620 12.770 1.00 0.00 N ATOM 118 CA ARG A 10 -11.059 3.449 11.740 1.00 0.00 C ATOM 119 C ARG A 10 -11.244 1.975 11.339 1.00 0.00 C ATOM 120 O ARG A 10 -11.983 1.669 10.397 1.00 0.00 O ATOM 121 CB ARG A 10 -10.744 4.284 10.485 1.00 0.00 C ATOM 122 CG ARG A 10 -10.758 5.795 10.706 1.00 0.00 C ATOM 123 CD ARG A 10 -9.757 6.510 9.807 1.00 0.00 C ATOM 124 NE ARG A 10 -10.169 6.510 8.396 1.00 0.00 N ATOM 125 CZ ARG A 10 -9.473 7.072 7.397 1.00 0.00 C ATOM 126 NH1 ARG A 10 -8.317 7.692 7.626 1.00 0.00 N ATOM 127 NH2 ARG A 10 -9.942 7.011 6.158 1.00 0.00 N ATOM 0 H ARG A 10 -9.259 2.929 12.715 1.00 0.00 H new ATOM 0 HA ARG A 10 -11.989 3.801 12.186 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -9.763 3.994 10.109 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -11.469 4.037 9.709 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -11.759 6.181 10.513 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -10.528 6.011 11.749 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -9.637 7.539 10.147 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -8.783 6.029 9.898 1.00 0.00 H new ATOM 0 HE ARG A 10 -11.048 6.049 8.160 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -7.946 7.746 8.575 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -7.802 8.113 6.853 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -10.826 6.539 5.970 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -9.418 7.436 5.393 1.00 0.00 H new ATOM 141 N LEU A 11 -10.588 1.063 12.070 1.00 0.00 N ATOM 142 CA LEU A 11 -10.692 -0.396 11.834 1.00 0.00 C ATOM 143 C LEU A 11 -12.146 -0.881 11.967 1.00 0.00 C ATOM 144 O LEU A 11 -12.464 -2.012 11.591 1.00 0.00 O ATOM 145 CB LEU A 11 -9.760 -1.107 12.849 1.00 0.00 C ATOM 146 CG LEU A 11 -9.685 -2.664 12.874 1.00 0.00 C ATOM 147 CD1 LEU A 11 -10.784 -3.260 13.744 1.00 0.00 C ATOM 148 CD2 LEU A 11 -9.722 -3.271 11.472 1.00 0.00 C ATOM 0 H LEU A 11 -9.969 1.309 12.843 1.00 0.00 H new ATOM 0 HA LEU A 11 -10.383 -0.634 10.816 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -8.750 -0.736 12.678 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -10.055 -0.780 13.846 1.00 0.00 H new ATOM 0 HG LEU A 11 -8.721 -2.919 13.314 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -10.703 -4.347 13.739 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -10.679 -2.893 14.765 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -11.758 -2.967 13.351 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -9.667 -4.357 11.544 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -10.650 -2.987 10.977 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -8.875 -2.903 10.894 1.00 0.00 H new ATOM 160 N ASN A 12 -13.027 -0.005 12.479 1.00 0.00 N ATOM 161 CA ASN A 12 -14.440 -0.331 12.648 1.00 0.00 C ATOM 162 C ASN A 12 -15.092 -0.588 11.304 1.00 0.00 C ATOM 163 O ASN A 12 -14.745 0.021 10.291 1.00 0.00 O ATOM 164 CB ASN A 12 -15.183 0.785 13.391 1.00 0.00 C ATOM 165 CG ASN A 12 -14.657 1.012 14.801 1.00 0.00 C ATOM 166 OD1 ASN A 12 -13.449 0.997 15.040 1.00 0.00 O ATOM 167 ND2 ASN A 12 -15.568 1.210 15.745 1.00 0.00 N ATOM 0 H ASN A 12 -12.777 0.936 12.782 1.00 0.00 H new ATOM 0 HA ASN A 12 -14.501 -1.238 13.249 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -15.097 1.712 12.823 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -16.244 0.538 13.440 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -15.277 1.357 16.711 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -16.559 1.215 15.504 1.00 0.00 H new ATOM 174 N ASP A 13 -16.040 -1.502 11.350 1.00 0.00 N ATOM 175 CA ASP A 13 -16.815 -1.980 10.201 1.00 0.00 C ATOM 176 C ASP A 13 -17.296 -0.887 9.227 1.00 0.00 C ATOM 177 O ASP A 13 -17.448 -1.170 8.041 1.00 0.00 O ATOM 178 CB ASP A 13 -17.993 -2.801 10.739 1.00 0.00 C ATOM 179 CG ASP A 13 -18.831 -3.471 9.658 1.00 0.00 C ATOM 180 OD1 ASP A 13 -19.800 -2.843 9.183 1.00 0.00 O ATOM 181 OD2 ASP A 13 -18.515 -4.622 9.291 1.00 0.00 O ATOM 0 H ASP A 13 -16.310 -1.957 12.222 1.00 0.00 H new ATOM 0 HA ASP A 13 -16.145 -2.587 9.591 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -17.610 -3.567 11.413 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -18.636 -2.149 11.330 1.00 0.00 H new ATOM 186 N GLU A 14 -17.519 0.345 9.700 1.00 0.00 N ATOM 187 CA GLU A 14 -17.974 1.426 8.809 1.00 0.00 C ATOM 188 C GLU A 14 -16.875 1.820 7.825 1.00 0.00 C ATOM 189 O GLU A 14 -17.070 1.794 6.599 1.00 0.00 O ATOM 190 CB GLU A 14 -18.416 2.654 9.616 1.00 0.00 C ATOM 191 CG GLU A 14 -19.835 2.545 10.137 1.00 0.00 C ATOM 192 CD GLU A 14 -20.224 3.710 11.025 1.00 0.00 C ATOM 193 OE1 GLU A 14 -20.008 3.620 12.252 1.00 0.00 O ATOM 194 OE2 GLU A 14 -20.745 4.714 10.494 1.00 0.00 O ATOM 0 H GLU A 14 -17.396 0.618 10.675 1.00 0.00 H new ATOM 0 HA GLU A 14 -18.830 1.051 8.247 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -17.736 2.792 10.457 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -18.333 3.542 8.989 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -20.524 2.490 9.294 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -19.942 1.616 10.697 1.00 0.00 H new ATOM 201 N ASP A 15 -15.690 2.078 8.376 1.00 0.00 N ATOM 202 CA ASP A 15 -14.549 2.499 7.585 1.00 0.00 C ATOM 203 C ASP A 15 -13.838 1.299 7.013 1.00 0.00 C ATOM 204 O ASP A 15 -13.192 1.400 5.989 1.00 0.00 O ATOM 205 CB ASP A 15 -13.586 3.313 8.438 1.00 0.00 C ATOM 206 CG ASP A 15 -14.066 4.734 8.666 1.00 0.00 C ATOM 207 OD1 ASP A 15 -15.206 4.908 9.147 1.00 0.00 O ATOM 208 OD2 ASP A 15 -13.300 5.674 8.365 1.00 0.00 O ATOM 0 H ASP A 15 -15.501 2.000 9.375 1.00 0.00 H new ATOM 0 HA ASP A 15 -14.908 3.122 6.765 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -13.453 2.819 9.401 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -12.609 3.337 7.955 1.00 0.00 H new ATOM 213 N LEU A 16 -14.012 0.162 7.684 1.00 0.00 N ATOM 214 CA LEU A 16 -13.407 -1.101 7.285 1.00 0.00 C ATOM 215 C LEU A 16 -14.150 -1.711 6.100 1.00 0.00 C ATOM 216 O LEU A 16 -13.547 -2.408 5.292 1.00 0.00 O ATOM 217 CB LEU A 16 -13.382 -2.040 8.484 1.00 0.00 C ATOM 218 CG LEU A 16 -13.042 -3.512 8.206 1.00 0.00 C ATOM 219 CD1 LEU A 16 -11.563 -3.688 7.909 1.00 0.00 C ATOM 220 CD2 LEU A 16 -13.459 -4.361 9.383 1.00 0.00 C ATOM 0 H LEU A 16 -14.582 0.094 8.527 1.00 0.00 H new ATOM 0 HA LEU A 16 -12.382 -0.929 6.956 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -12.658 -1.654 9.202 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -14.359 -2.002 8.965 1.00 0.00 H new ATOM 0 HG LEU A 16 -13.592 -3.836 7.322 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -11.353 -4.740 7.716 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -11.295 -3.098 7.032 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -10.978 -3.352 8.765 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -13.217 -5.405 9.183 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -12.929 -4.030 10.276 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -14.533 -4.262 9.541 1.00 0.00 H new ATOM 232 N ASP A 17 -15.464 -1.460 6.030 1.00 0.00 N ATOM 233 CA ASP A 17 -16.286 -1.929 4.914 1.00 0.00 C ATOM 234 C ASP A 17 -16.085 -0.975 3.734 1.00 0.00 C ATOM 235 O ASP A 17 -15.659 -1.386 2.628 1.00 0.00 O ATOM 236 CB ASP A 17 -17.761 -1.991 5.320 1.00 0.00 C ATOM 237 CG ASP A 17 -18.529 -3.071 4.580 1.00 0.00 C ATOM 238 OD1 ASP A 17 -18.581 -4.212 5.083 1.00 0.00 O ATOM 239 OD2 ASP A 17 -19.078 -2.773 3.498 1.00 0.00 O ATOM 0 H ASP A 17 -15.978 -0.933 6.736 1.00 0.00 H new ATOM 0 HA ASP A 17 -15.985 -2.937 4.627 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -17.831 -2.172 6.393 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -18.227 -1.024 5.129 1.00 0.00 H new ATOM 244 N PHE A 18 -16.315 0.333 3.994 1.00 0.00 N ATOM 245 CA PHE A 18 -16.119 1.345 2.962 1.00 0.00 C ATOM 246 C PHE A 18 -14.627 1.406 2.566 1.00 0.00 C ATOM 247 O PHE A 18 -14.277 1.970 1.530 1.00 0.00 O ATOM 248 CB PHE A 18 -16.696 2.709 3.391 1.00 0.00 C ATOM 249 CG PHE A 18 -18.208 2.738 3.438 1.00 0.00 C ATOM 250 CD1 PHE A 18 -18.956 2.692 2.266 1.00 0.00 C ATOM 251 CD2 PHE A 18 -18.881 2.814 4.647 1.00 0.00 C ATOM 252 CE1 PHE A 18 -20.336 2.719 2.305 1.00 0.00 C ATOM 253 CE2 PHE A 18 -20.262 2.841 4.690 1.00 0.00 C ATOM 254 CZ PHE A 18 -20.990 2.793 3.518 1.00 0.00 C ATOM 0 H PHE A 18 -16.630 0.695 4.894 1.00 0.00 H new ATOM 0 HA PHE A 18 -16.678 1.063 2.070 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -16.305 2.966 4.375 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -16.347 3.476 2.699 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -18.451 2.634 1.313 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -18.319 2.853 5.568 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -20.903 2.682 1.387 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -20.772 2.900 5.640 1.00 0.00 H new ATOM 0 HZ PHE A 18 -22.069 2.813 3.550 1.00 0.00 H new ATOM 264 N LEU A 19 -13.759 0.845 3.447 1.00 0.00 N ATOM 265 CA LEU A 19 -12.320 0.689 3.186 1.00 0.00 C ATOM 266 C LEU A 19 -12.093 -0.637 2.432 1.00 0.00 C ATOM 267 O LEU A 19 -11.234 -0.729 1.557 1.00 0.00 O ATOM 268 CB LEU A 19 -11.505 0.625 4.505 1.00 0.00 C ATOM 269 CG LEU A 19 -10.015 1.088 4.495 1.00 0.00 C ATOM 270 CD1 LEU A 19 -9.294 0.811 3.177 1.00 0.00 C ATOM 271 CD2 LEU A 19 -9.905 2.562 4.850 1.00 0.00 C ATOM 0 H LEU A 19 -14.047 0.490 4.359 1.00 0.00 H new ATOM 0 HA LEU A 19 -11.989 1.549 2.604 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -12.031 1.225 5.247 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -11.527 -0.407 4.856 1.00 0.00 H new ATOM 0 HG LEU A 19 -9.514 0.488 5.255 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.264 1.160 3.246 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -9.302 -0.260 2.976 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -9.802 1.335 2.367 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -8.857 2.862 4.837 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -10.461 3.154 4.123 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -10.317 2.728 5.845 1.00 0.00 H new ATOM 283 N THR A 20 -12.888 -1.673 2.801 1.00 0.00 N ATOM 284 CA THR A 20 -12.771 -3.018 2.207 1.00 0.00 C ATOM 285 C THR A 20 -13.180 -3.052 0.729 1.00 0.00 C ATOM 286 O THR A 20 -12.925 -4.042 0.038 1.00 0.00 O ATOM 287 CB THR A 20 -13.562 -4.091 3.018 1.00 0.00 C ATOM 288 OG1 THR A 20 -12.907 -5.359 2.903 1.00 0.00 O ATOM 289 CG2 THR A 20 -15.017 -4.244 2.568 1.00 0.00 C ATOM 0 H THR A 20 -13.617 -1.596 3.510 1.00 0.00 H new ATOM 0 HA THR A 20 -11.712 -3.269 2.258 1.00 0.00 H new ATOM 0 HB THR A 20 -13.578 -3.746 4.052 1.00 0.00 H new ATOM 0 HG1 THR A 20 -12.022 -5.309 3.320 1.00 0.00 H new ATOM 0 HG21 THR A 20 -15.507 -5.006 3.174 1.00 0.00 H new ATOM 0 HG22 THR A 20 -15.537 -3.294 2.689 1.00 0.00 H new ATOM 0 HG23 THR A 20 -15.044 -4.541 1.520 1.00 0.00 H new ATOM 297 N LYS A 21 -13.834 -1.967 0.279 1.00 0.00 N ATOM 298 CA LYS A 21 -14.279 -1.790 -1.132 1.00 0.00 C ATOM 299 C LYS A 21 -13.354 -2.440 -2.187 1.00 0.00 C ATOM 300 O LYS A 21 -13.840 -3.009 -3.168 1.00 0.00 O ATOM 301 CB LYS A 21 -14.401 -0.281 -1.471 1.00 0.00 C ATOM 302 CG LYS A 21 -13.324 0.629 -0.873 1.00 0.00 C ATOM 303 CD LYS A 21 -12.021 0.597 -1.657 1.00 0.00 C ATOM 304 CE LYS A 21 -10.857 0.964 -0.768 1.00 0.00 C ATOM 305 NZ LYS A 21 -9.551 0.852 -1.473 1.00 0.00 N ATOM 0 H LYS A 21 -14.074 -1.179 0.880 1.00 0.00 H new ATOM 0 HA LYS A 21 -15.241 -2.300 -1.186 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -14.382 -0.169 -2.555 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -15.375 0.070 -1.131 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -13.697 1.653 -0.840 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -13.131 0.327 0.156 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -11.866 -0.397 -2.076 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -12.078 1.291 -2.496 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.986 1.984 -0.407 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -10.852 0.314 0.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -8.782 0.811 -0.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -9.541 -0.013 -2.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -9.416 1.680 -2.088 1.00 0.00 H new ATOM 319 N TRP A 22 -12.028 -2.347 -1.971 1.00 0.00 N ATOM 320 CA TRP A 22 -11.026 -2.881 -2.911 1.00 0.00 C ATOM 321 C TRP A 22 -9.629 -2.890 -2.263 1.00 0.00 C ATOM 322 O TRP A 22 -9.479 -2.476 -1.113 1.00 0.00 O ATOM 323 CB TRP A 22 -11.029 -2.031 -4.202 1.00 0.00 C ATOM 324 CG TRP A 22 -10.840 -2.823 -5.468 1.00 0.00 C ATOM 325 CD1 TRP A 22 -9.911 -2.588 -6.439 1.00 0.00 C ATOM 326 CD2 TRP A 22 -11.606 -3.959 -5.915 1.00 0.00 C ATOM 327 NE1 TRP A 22 -10.036 -3.510 -7.449 1.00 0.00 N ATOM 328 CE2 TRP A 22 -11.069 -4.360 -7.152 1.00 0.00 C ATOM 329 CE3 TRP A 22 -12.687 -4.678 -5.387 1.00 0.00 C ATOM 330 CZ2 TRP A 22 -11.573 -5.443 -7.867 1.00 0.00 C ATOM 331 CZ3 TRP A 22 -13.186 -5.752 -6.100 1.00 0.00 C ATOM 332 CH2 TRP A 22 -12.628 -6.126 -7.328 1.00 0.00 C ATOM 0 H TRP A 22 -11.624 -1.903 -1.146 1.00 0.00 H new ATOM 0 HA TRP A 22 -11.282 -3.910 -3.164 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -11.973 -1.490 -4.264 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -10.238 -1.285 -4.133 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -9.182 -1.791 -6.417 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -9.454 -3.555 -8.285 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -13.123 -4.398 -4.439 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -11.145 -5.734 -8.815 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -14.020 -6.312 -5.703 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -13.039 -6.971 -7.861 1.00 0.00 H new ATOM 343 N THR A 23 -8.612 -3.353 -3.009 1.00 0.00 N ATOM 344 CA THR A 23 -7.233 -3.428 -2.501 1.00 0.00 C ATOM 345 C THR A 23 -6.382 -2.292 -3.062 1.00 0.00 C ATOM 346 O THR A 23 -6.872 -1.470 -3.839 1.00 0.00 O ATOM 347 CB THR A 23 -6.567 -4.777 -2.840 1.00 0.00 C ATOM 348 OG1 THR A 23 -7.539 -5.750 -3.247 1.00 0.00 O ATOM 349 CG2 THR A 23 -5.808 -5.288 -1.643 1.00 0.00 C ATOM 0 H THR A 23 -8.720 -3.682 -3.969 1.00 0.00 H new ATOM 0 HA THR A 23 -7.294 -3.336 -1.417 1.00 0.00 H new ATOM 0 HB THR A 23 -5.879 -4.615 -3.670 1.00 0.00 H new ATOM 0 HG1 THR A 23 -7.082 -6.534 -3.617 1.00 0.00 H new ATOM 0 HG21 THR A 23 -5.340 -6.241 -1.889 1.00 0.00 H new ATOM 0 HG22 THR A 23 -5.039 -4.567 -1.365 1.00 0.00 H new ATOM 0 HG23 THR A 23 -6.495 -5.426 -0.808 1.00 0.00 H new ATOM 357 N ASP A 24 -5.104 -2.261 -2.673 1.00 0.00 N ATOM 358 CA ASP A 24 -4.191 -1.216 -3.118 1.00 0.00 C ATOM 359 C ASP A 24 -3.035 -1.795 -3.939 1.00 0.00 C ATOM 360 O ASP A 24 -2.080 -1.081 -4.268 1.00 0.00 O ATOM 361 CB ASP A 24 -3.661 -0.447 -1.905 1.00 0.00 C ATOM 362 CG ASP A 24 -4.741 0.355 -1.201 1.00 0.00 C ATOM 363 OD1 ASP A 24 -4.942 1.532 -1.569 1.00 0.00 O ATOM 364 OD2 ASP A 24 -5.386 -0.194 -0.283 1.00 0.00 O ATOM 0 H ASP A 24 -4.682 -2.950 -2.050 1.00 0.00 H new ATOM 0 HA ASP A 24 -4.739 -0.532 -3.766 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -3.218 -1.150 -1.199 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -2.866 0.226 -2.226 1.00 0.00 H new ATOM 369 N PHE A 25 -3.137 -3.083 -4.296 1.00 0.00 N ATOM 370 CA PHE A 25 -2.096 -3.742 -5.073 1.00 0.00 C ATOM 371 C PHE A 25 -2.541 -3.931 -6.533 1.00 0.00 C ATOM 372 O PHE A 25 -2.523 -5.023 -7.107 1.00 0.00 O ATOM 373 CB PHE A 25 -1.755 -5.045 -4.349 1.00 0.00 C ATOM 374 CG PHE A 25 -0.540 -5.829 -4.803 1.00 0.00 C ATOM 375 CD1 PHE A 25 0.612 -5.850 -4.031 1.00 0.00 C ATOM 376 CD2 PHE A 25 -0.560 -6.571 -5.977 1.00 0.00 C ATOM 377 CE1 PHE A 25 1.716 -6.584 -4.422 1.00 0.00 C ATOM 378 CE2 PHE A 25 0.543 -7.303 -6.374 1.00 0.00 C ATOM 379 CZ PHE A 25 1.682 -7.309 -5.595 1.00 0.00 C ATOM 0 H PHE A 25 -3.928 -3.681 -4.057 1.00 0.00 H new ATOM 0 HA PHE A 25 -1.192 -3.137 -5.140 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -1.623 -4.812 -3.292 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -2.621 -5.703 -4.425 1.00 0.00 H new ATOM 0 HD1 PHE A 25 0.647 -5.285 -3.111 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -1.450 -6.576 -6.588 1.00 0.00 H new ATOM 0 HE1 PHE A 25 2.605 -6.590 -3.809 1.00 0.00 H new ATOM 0 HE2 PHE A 25 0.514 -7.870 -7.293 1.00 0.00 H new ATOM 0 HZ PHE A 25 2.545 -7.880 -5.903 1.00 0.00 H new ATOM 389 N LYS A 26 -2.934 -2.801 -7.097 1.00 0.00 N ATOM 390 CA LYS A 26 -3.291 -2.651 -8.498 1.00 0.00 C ATOM 391 C LYS A 26 -2.410 -1.512 -8.990 1.00 0.00 C ATOM 392 O LYS A 26 -2.494 -1.058 -10.135 1.00 0.00 O ATOM 393 CB LYS A 26 -4.815 -2.363 -8.700 1.00 0.00 C ATOM 394 CG LYS A 26 -5.260 -0.881 -8.703 1.00 0.00 C ATOM 395 CD LYS A 26 -5.528 -0.324 -7.299 1.00 0.00 C ATOM 396 CE LYS A 26 -4.253 -0.175 -6.469 1.00 0.00 C ATOM 397 NZ LYS A 26 -4.170 1.103 -5.715 1.00 0.00 N ATOM 0 H LYS A 26 -3.016 -1.930 -6.572 1.00 0.00 H new ATOM 0 HA LYS A 26 -3.125 -3.568 -9.063 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -5.121 -2.809 -9.646 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -5.364 -2.879 -7.912 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -4.489 -0.279 -9.184 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -6.164 -0.782 -9.304 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -6.016 0.647 -7.385 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -6.221 -0.984 -6.777 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -4.190 -1.005 -5.765 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -3.390 -0.252 -7.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -3.175 1.396 -5.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -4.709 1.838 -6.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -4.568 0.971 -4.763 1.00 0.00 H new ATOM 411 N CYS A 27 -1.548 -1.083 -8.052 1.00 0.00 N ATOM 412 CA CYS A 27 -0.625 -0.003 -8.246 1.00 0.00 C ATOM 413 C CYS A 27 0.773 -0.455 -7.870 1.00 0.00 C ATOM 414 O CYS A 27 1.017 -0.970 -6.737 1.00 0.00 O ATOM 415 CB CYS A 27 -1.040 1.206 -7.398 1.00 0.00 C ATOM 416 SG CYS A 27 0.110 2.601 -7.472 1.00 0.00 S ATOM 0 H CYS A 27 -1.490 -1.502 -7.124 1.00 0.00 H new ATOM 0 HA CYS A 27 -0.633 0.292 -9.295 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -2.023 1.544 -7.725 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -1.141 0.889 -6.360 1.00 0.00 H new ATOM 0 HG CYS A 27 -0.453 3.595 -8.091 1.00 0.00 H new ATOM 422 N PHE A 28 1.666 -0.285 -8.853 1.00 0.00 N ATOM 423 CA PHE A 28 3.070 -0.604 -8.713 1.00 0.00 C ATOM 424 C PHE A 28 3.804 0.639 -8.266 1.00 0.00 C ATOM 425 O PHE A 28 3.761 1.663 -8.942 1.00 0.00 O ATOM 426 CB PHE A 28 3.646 -1.117 -10.041 1.00 0.00 C ATOM 427 CG PHE A 28 3.142 -2.478 -10.438 1.00 0.00 C ATOM 428 CD1 PHE A 28 1.985 -2.613 -11.189 1.00 0.00 C ATOM 429 CD2 PHE A 28 3.827 -3.622 -10.059 1.00 0.00 C ATOM 430 CE1 PHE A 28 1.521 -3.862 -11.555 1.00 0.00 C ATOM 431 CE2 PHE A 28 3.368 -4.874 -10.422 1.00 0.00 C ATOM 432 CZ PHE A 28 2.213 -4.994 -11.171 1.00 0.00 C ATOM 0 H PHE A 28 1.420 0.082 -9.772 1.00 0.00 H new ATOM 0 HA PHE A 28 3.192 -1.394 -7.972 1.00 0.00 H new ATOM 0 HB2 PHE A 28 3.403 -0.406 -10.830 1.00 0.00 H new ATOM 0 HB3 PHE A 28 4.733 -1.150 -9.966 1.00 0.00 H new ATOM 0 HD1 PHE A 28 1.440 -1.731 -11.492 1.00 0.00 H new ATOM 0 HD2 PHE A 28 4.730 -3.534 -9.473 1.00 0.00 H new ATOM 0 HE1 PHE A 28 0.618 -3.953 -12.141 1.00 0.00 H new ATOM 0 HE2 PHE A 28 3.911 -5.757 -10.121 1.00 0.00 H new ATOM 0 HZ PHE A 28 1.852 -5.971 -11.456 1.00 0.00 H new ATOM 442 N VAL A 29 4.494 0.545 -7.140 1.00 0.00 N ATOM 443 CA VAL A 29 5.218 1.690 -6.627 1.00 0.00 C ATOM 444 C VAL A 29 6.704 1.554 -6.970 1.00 0.00 C ATOM 445 O VAL A 29 7.322 0.489 -6.785 1.00 0.00 O ATOM 446 CB VAL A 29 4.911 1.915 -5.113 1.00 0.00 C ATOM 447 CG1 VAL A 29 6.059 2.584 -4.352 1.00 0.00 C ATOM 448 CG2 VAL A 29 3.654 2.760 -4.976 1.00 0.00 C ATOM 0 H VAL A 29 4.566 -0.300 -6.573 1.00 0.00 H new ATOM 0 HA VAL A 29 4.877 2.604 -7.114 1.00 0.00 H new ATOM 0 HB VAL A 29 4.772 0.930 -4.668 1.00 0.00 H new ATOM 0 HG11 VAL A 29 5.778 2.710 -3.306 1.00 0.00 H new ATOM 0 HG12 VAL A 29 6.950 1.960 -4.415 1.00 0.00 H new ATOM 0 HG13 VAL A 29 6.267 3.559 -4.792 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.436 2.919 -3.920 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.808 3.722 -5.464 1.00 0.00 H new ATOM 0 HG23 VAL A 29 2.816 2.245 -5.446 1.00 0.00 H new ATOM 458 N SER A 30 7.239 2.707 -7.409 1.00 0.00 N ATOM 459 CA SER A 30 8.605 2.902 -7.941 1.00 0.00 C ATOM 460 C SER A 30 9.643 1.858 -7.577 1.00 0.00 C ATOM 461 O SER A 30 10.265 1.884 -6.515 1.00 0.00 O ATOM 462 CB SER A 30 9.106 4.308 -7.579 1.00 0.00 C ATOM 463 OG SER A 30 8.752 4.658 -6.251 1.00 0.00 O ATOM 0 H SER A 30 6.704 3.576 -7.403 1.00 0.00 H new ATOM 0 HA SER A 30 8.493 2.779 -9.018 1.00 0.00 H new ATOM 0 HB2 SER A 30 10.189 4.350 -7.691 1.00 0.00 H new ATOM 0 HB3 SER A 30 8.685 5.036 -8.273 1.00 0.00 H new ATOM 0 HG SER A 30 9.417 4.297 -5.629 1.00 0.00 H new ATOM 469 N ALA A 31 9.815 0.945 -8.544 1.00 0.00 N ATOM 470 CA ALA A 31 10.801 -0.122 -8.484 1.00 0.00 C ATOM 471 C ALA A 31 12.159 0.460 -8.833 1.00 0.00 C ATOM 472 O ALA A 31 13.186 0.001 -8.326 1.00 0.00 O ATOM 473 CB ALA A 31 10.412 -1.226 -9.425 1.00 0.00 C ATOM 0 H ALA A 31 9.260 0.935 -9.400 1.00 0.00 H new ATOM 0 HA ALA A 31 10.849 -0.548 -7.482 1.00 0.00 H new ATOM 0 HB1 ALA A 31 11.154 -2.023 -9.377 1.00 0.00 H new ATOM 0 HB2 ALA A 31 9.436 -1.620 -9.140 1.00 0.00 H new ATOM 0 HB3 ALA A 31 10.363 -0.837 -10.442 1.00 0.00 H new ATOM 479 N SER A 32 12.124 1.458 -9.754 1.00 0.00 N ATOM 480 CA SER A 32 13.287 2.272 -10.151 1.00 0.00 C ATOM 481 C SER A 32 13.922 1.868 -11.487 1.00 0.00 C ATOM 482 O SER A 32 13.876 2.644 -12.447 1.00 0.00 O ATOM 483 CB SER A 32 14.318 2.284 -9.027 1.00 0.00 C ATOM 484 OG SER A 32 15.022 3.513 -8.975 1.00 0.00 O ATOM 0 H SER A 32 11.269 1.718 -10.246 1.00 0.00 H new ATOM 0 HA SER A 32 12.911 3.281 -10.320 1.00 0.00 H new ATOM 0 HB2 SER A 32 13.819 2.110 -8.074 1.00 0.00 H new ATOM 0 HB3 SER A 32 15.024 1.466 -9.172 1.00 0.00 H new ATOM 0 HG SER A 32 15.776 3.432 -8.354 1.00 0.00 H new ATOM 490 N ASN A 33 14.506 0.670 -11.549 1.00 0.00 N ATOM 491 CA ASN A 33 15.154 0.175 -12.762 1.00 0.00 C ATOM 492 C ASN A 33 14.164 -0.690 -13.514 1.00 0.00 C ATOM 493 O ASN A 33 14.328 -0.986 -14.701 1.00 0.00 O ATOM 494 CB ASN A 33 16.411 -0.614 -12.403 1.00 0.00 C ATOM 495 CG ASN A 33 17.651 0.258 -12.362 1.00 0.00 C ATOM 496 OD1 ASN A 33 17.999 0.814 -11.321 1.00 0.00 O ATOM 497 ND2 ASN A 33 18.324 0.381 -13.500 1.00 0.00 N ATOM 0 H ASN A 33 14.543 0.020 -10.764 1.00 0.00 H new ATOM 0 HA ASN A 33 15.459 1.009 -13.395 1.00 0.00 H new ATOM 0 HB2 ASN A 33 16.273 -1.090 -11.432 1.00 0.00 H new ATOM 0 HB3 ASN A 33 16.556 -1.412 -13.131 1.00 0.00 H new ATOM 0 HD21 ASN A 33 19.166 0.955 -13.535 1.00 0.00 H new ATOM 0 HD22 ASN A 33 17.999 -0.098 -14.339 1.00 0.00 H new ATOM 504 N MET A 34 13.132 -1.082 -12.770 1.00 0.00 N ATOM 505 CA MET A 34 12.034 -1.869 -13.268 1.00 0.00 C ATOM 506 C MET A 34 10.902 -0.918 -13.694 1.00 0.00 C ATOM 507 O MET A 34 10.218 -1.141 -14.694 1.00 0.00 O ATOM 508 CB MET A 34 11.577 -2.808 -12.152 1.00 0.00 C ATOM 509 CG MET A 34 10.516 -3.834 -12.528 1.00 0.00 C ATOM 510 SD MET A 34 10.987 -4.875 -13.921 1.00 0.00 S ATOM 511 CE MET A 34 10.256 -3.941 -15.259 1.00 0.00 C ATOM 0 H MET A 34 13.045 -0.849 -11.781 1.00 0.00 H new ATOM 0 HA MET A 34 12.328 -2.464 -14.132 1.00 0.00 H new ATOM 0 HB2 MET A 34 12.450 -3.341 -11.774 1.00 0.00 H new ATOM 0 HB3 MET A 34 11.192 -2.203 -11.331 1.00 0.00 H new ATOM 0 HG2 MET A 34 10.311 -4.467 -11.664 1.00 0.00 H new ATOM 0 HG3 MET A 34 9.589 -3.315 -12.770 1.00 0.00 H new ATOM 0 HE1 MET A 34 9.922 -4.624 -16.040 1.00 0.00 H new ATOM 0 HE2 MET A 34 9.404 -3.374 -14.884 1.00 0.00 H new ATOM 0 HE3 MET A 34 10.996 -3.255 -15.670 1.00 0.00 H new ATOM 521 N ARG A 35 10.748 0.162 -12.919 1.00 0.00 N ATOM 522 CA ARG A 35 9.736 1.171 -13.170 1.00 0.00 C ATOM 523 C ARG A 35 10.426 2.520 -13.293 1.00 0.00 C ATOM 524 O ARG A 35 11.142 2.944 -12.380 1.00 0.00 O ATOM 525 CB ARG A 35 8.691 1.133 -12.027 1.00 0.00 C ATOM 526 CG ARG A 35 7.930 2.424 -11.727 1.00 0.00 C ATOM 527 CD ARG A 35 6.784 2.660 -12.694 1.00 0.00 C ATOM 528 NE ARG A 35 5.931 1.471 -12.881 1.00 0.00 N ATOM 529 CZ ARG A 35 4.594 1.488 -12.986 1.00 0.00 C ATOM 530 NH1 ARG A 35 3.909 2.627 -12.924 1.00 0.00 N ATOM 531 NH2 ARG A 35 3.937 0.348 -13.155 1.00 0.00 N ATOM 0 H ARG A 35 11.327 0.353 -12.101 1.00 0.00 H new ATOM 0 HA ARG A 35 9.201 0.983 -14.101 1.00 0.00 H new ATOM 0 HB2 ARG A 35 7.961 0.359 -12.264 1.00 0.00 H new ATOM 0 HB3 ARG A 35 9.201 0.823 -11.115 1.00 0.00 H new ATOM 0 HG2 ARG A 35 7.541 2.385 -10.710 1.00 0.00 H new ATOM 0 HG3 ARG A 35 8.619 3.267 -11.772 1.00 0.00 H new ATOM 0 HD2 ARG A 35 6.172 3.485 -12.329 1.00 0.00 H new ATOM 0 HD3 ARG A 35 7.188 2.966 -13.659 1.00 0.00 H new ATOM 0 HE ARG A 35 6.395 0.564 -12.935 1.00 0.00 H new ATOM 0 HH11 ARG A 35 4.401 3.511 -12.794 1.00 0.00 H new ATOM 0 HH12 ARG A 35 2.892 2.616 -13.006 1.00 0.00 H new ATOM 0 HH21 ARG A 35 4.449 -0.533 -13.204 1.00 0.00 H new ATOM 0 HH22 ARG A 35 2.920 0.352 -13.236 1.00 0.00 H new ATOM 545 N ASN A 36 10.182 3.187 -14.426 1.00 0.00 N ATOM 546 CA ASN A 36 10.782 4.495 -14.734 1.00 0.00 C ATOM 547 C ASN A 36 10.364 4.990 -16.138 1.00 0.00 C ATOM 548 O ASN A 36 10.454 6.189 -16.419 1.00 0.00 O ATOM 549 CB ASN A 36 12.332 4.433 -14.623 1.00 0.00 C ATOM 550 CG ASN A 36 13.018 5.774 -14.849 1.00 0.00 C ATOM 551 OD1 ASN A 36 13.366 6.124 -15.977 1.00 0.00 O ATOM 552 ND2 ASN A 36 13.214 6.528 -13.773 1.00 0.00 N ATOM 0 H ASN A 36 9.563 2.837 -15.157 1.00 0.00 H new ATOM 0 HA ASN A 36 10.409 5.208 -13.999 1.00 0.00 H new ATOM 0 HB2 ASN A 36 12.602 4.059 -13.635 1.00 0.00 H new ATOM 0 HB3 ASN A 36 12.711 3.714 -15.350 1.00 0.00 H new ATOM 0 HD21 ASN A 36 13.669 7.436 -13.863 1.00 0.00 H new ATOM 0 HD22 ASN A 36 12.909 6.199 -12.857 1.00 0.00 H new ATOM 559 N ALA A 37 9.910 4.065 -17.011 1.00 0.00 N ATOM 560 CA ALA A 37 9.501 4.402 -18.385 1.00 0.00 C ATOM 561 C ALA A 37 8.150 5.140 -18.449 1.00 0.00 C ATOM 562 O ALA A 37 8.111 6.308 -18.849 1.00 0.00 O ATOM 563 CB ALA A 37 9.474 3.143 -19.246 1.00 0.00 C ATOM 0 H ALA A 37 9.819 3.075 -16.783 1.00 0.00 H new ATOM 0 HA ALA A 37 10.244 5.095 -18.779 1.00 0.00 H new ATOM 0 HB1 ALA A 37 9.170 3.402 -20.260 1.00 0.00 H new ATOM 0 HB2 ALA A 37 10.468 2.696 -19.268 1.00 0.00 H new ATOM 0 HB3 ALA A 37 8.764 2.430 -18.826 1.00 0.00 H new ATOM 569 N ALA A 38 7.051 4.466 -18.059 1.00 0.00 N ATOM 570 CA ALA A 38 5.722 5.087 -18.087 1.00 0.00 C ATOM 571 C ALA A 38 5.341 5.622 -16.709 1.00 0.00 C ATOM 572 O ALA A 38 4.944 6.784 -16.580 1.00 0.00 O ATOM 573 CB ALA A 38 4.682 4.093 -18.590 1.00 0.00 C ATOM 0 H ALA A 38 7.061 3.502 -17.725 1.00 0.00 H new ATOM 0 HA ALA A 38 5.752 5.931 -18.776 1.00 0.00 H new ATOM 0 HB1 ALA A 38 3.701 4.569 -18.605 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.944 3.771 -19.598 1.00 0.00 H new ATOM 0 HB3 ALA A 38 4.655 3.228 -17.928 1.00 0.00 H new ATOM 579 N GLY A 39 5.462 4.764 -15.682 1.00 0.00 N ATOM 580 CA GLY A 39 5.184 5.154 -14.312 1.00 0.00 C ATOM 581 C GLY A 39 3.754 5.553 -14.042 1.00 0.00 C ATOM 582 O GLY A 39 3.503 6.398 -13.178 1.00 0.00 O ATOM 0 H GLY A 39 5.753 3.792 -15.788 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.445 4.325 -13.654 1.00 0.00 H new ATOM 0 HA3 GLY A 39 5.834 5.988 -14.048 1.00 0.00 H new ATOM 586 N GLN A 40 2.816 4.960 -14.783 1.00 0.00 N ATOM 587 CA GLN A 40 1.411 5.244 -14.566 1.00 0.00 C ATOM 588 C GLN A 40 0.864 4.293 -13.516 1.00 0.00 C ATOM 589 O GLN A 40 0.276 3.243 -13.805 1.00 0.00 O ATOM 590 CB GLN A 40 0.623 5.194 -15.866 1.00 0.00 C ATOM 591 CG GLN A 40 0.292 6.584 -16.378 1.00 0.00 C ATOM 592 CD GLN A 40 -0.791 6.601 -17.449 1.00 0.00 C ATOM 593 OE1 GLN A 40 -0.920 5.671 -18.250 1.00 0.00 O ATOM 594 NE2 GLN A 40 -1.578 7.671 -17.470 1.00 0.00 N ATOM 0 H GLN A 40 3.008 4.290 -15.528 1.00 0.00 H new ATOM 0 HA GLN A 40 1.303 6.263 -14.193 1.00 0.00 H new ATOM 0 HB2 GLN A 40 1.199 4.657 -16.620 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -0.300 4.635 -15.711 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -0.028 7.203 -15.540 1.00 0.00 H new ATOM 0 HG3 GLN A 40 1.197 7.038 -16.782 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -1.440 8.419 -16.791 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -2.321 7.744 -18.165 1.00 0.00 H new ATOM 603 N PHE A 41 1.115 4.704 -12.284 1.00 0.00 N ATOM 604 CA PHE A 41 0.736 3.971 -11.091 1.00 0.00 C ATOM 605 C PHE A 41 0.038 4.911 -10.103 1.00 0.00 C ATOM 606 O PHE A 41 -0.885 4.511 -9.378 1.00 0.00 O ATOM 607 CB PHE A 41 2.002 3.338 -10.484 1.00 0.00 C ATOM 608 CG PHE A 41 2.966 4.312 -9.839 1.00 0.00 C ATOM 609 CD1 PHE A 41 3.914 4.978 -10.599 1.00 0.00 C ATOM 610 CD2 PHE A 41 2.921 4.551 -8.474 1.00 0.00 C ATOM 611 CE1 PHE A 41 4.796 5.865 -10.012 1.00 0.00 C ATOM 612 CE2 PHE A 41 3.801 5.437 -7.881 1.00 0.00 C ATOM 613 CZ PHE A 41 4.739 6.095 -8.651 1.00 0.00 C ATOM 0 H PHE A 41 1.600 5.578 -12.083 1.00 0.00 H new ATOM 0 HA PHE A 41 0.031 3.176 -11.334 1.00 0.00 H new ATOM 0 HB2 PHE A 41 1.699 2.604 -9.738 1.00 0.00 H new ATOM 0 HB3 PHE A 41 2.529 2.796 -11.269 1.00 0.00 H new ATOM 0 HD1 PHE A 41 3.964 4.802 -11.663 1.00 0.00 H new ATOM 0 HD2 PHE A 41 2.190 4.039 -7.867 1.00 0.00 H new ATOM 0 HE1 PHE A 41 5.529 6.378 -10.617 1.00 0.00 H new ATOM 0 HE2 PHE A 41 3.755 5.614 -6.817 1.00 0.00 H new ATOM 0 HZ PHE A 41 5.427 6.788 -8.190 1.00 0.00 H new ATOM 623 N ILE A 42 0.494 6.181 -10.104 1.00 0.00 N ATOM 624 CA ILE A 42 -0.061 7.236 -9.247 1.00 0.00 C ATOM 625 C ILE A 42 -1.566 7.416 -9.476 1.00 0.00 C ATOM 626 O ILE A 42 -2.263 7.967 -8.618 1.00 0.00 O ATOM 627 CB ILE A 42 0.668 8.604 -9.438 1.00 0.00 C ATOM 628 CG1 ILE A 42 0.910 8.947 -10.925 1.00 0.00 C ATOM 629 CG2 ILE A 42 1.988 8.603 -8.682 1.00 0.00 C ATOM 630 CD1 ILE A 42 -0.219 9.728 -11.567 1.00 0.00 C ATOM 0 H ILE A 42 1.258 6.498 -10.701 1.00 0.00 H new ATOM 0 HA ILE A 42 0.103 6.907 -8.221 1.00 0.00 H new ATOM 0 HB ILE A 42 0.011 9.375 -9.034 1.00 0.00 H new ATOM 0 HG12 ILE A 42 1.831 9.523 -11.009 1.00 0.00 H new ATOM 0 HG13 ILE A 42 1.061 8.022 -11.481 1.00 0.00 H new ATOM 0 HG21 ILE A 42 2.488 9.561 -8.822 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.799 8.444 -7.620 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.624 7.803 -9.061 1.00 0.00 H new ATOM 0 HD11 ILE A 42 0.025 9.930 -12.610 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -1.139 9.146 -11.516 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.357 10.671 -11.037 1.00 0.00 H new ATOM 642 N GLU A 43 -2.059 6.943 -10.642 1.00 0.00 N ATOM 643 CA GLU A 43 -3.481 7.026 -10.965 1.00 0.00 C ATOM 644 C GLU A 43 -4.306 6.189 -9.977 1.00 0.00 C ATOM 645 O GLU A 43 -5.132 6.744 -9.238 1.00 0.00 O ATOM 646 CB GLU A 43 -3.738 6.573 -12.413 1.00 0.00 C ATOM 647 CG GLU A 43 -4.181 7.700 -13.331 1.00 0.00 C ATOM 648 CD GLU A 43 -4.468 7.224 -14.741 1.00 0.00 C ATOM 649 OE1 GLU A 43 -3.521 7.165 -15.552 1.00 0.00 O ATOM 650 OE2 GLU A 43 -5.641 6.909 -15.033 1.00 0.00 O ATOM 0 H GLU A 43 -1.488 6.504 -11.365 1.00 0.00 H new ATOM 0 HA GLU A 43 -3.794 8.066 -10.876 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -2.828 6.126 -12.813 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -4.501 5.795 -12.412 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -5.076 8.168 -12.920 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -3.406 8.466 -13.361 1.00 0.00 H new ATOM 657 N ALA A 44 -4.064 4.859 -9.935 1.00 0.00 N ATOM 658 CA ALA A 44 -4.777 3.978 -9.004 1.00 0.00 C ATOM 659 C ALA A 44 -4.378 4.246 -7.553 1.00 0.00 C ATOM 660 O ALA A 44 -5.193 4.066 -6.645 1.00 0.00 O ATOM 661 CB ALA A 44 -4.521 2.522 -9.341 1.00 0.00 C ATOM 0 H ALA A 44 -3.387 4.384 -10.531 1.00 0.00 H new ATOM 0 HA ALA A 44 -5.840 4.192 -9.111 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -5.059 1.886 -8.638 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.867 2.317 -10.354 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.453 2.315 -9.273 1.00 0.00 H new ATOM 667 N ALA A 45 -3.117 4.670 -7.338 1.00 0.00 N ATOM 668 CA ALA A 45 -2.624 4.985 -5.989 1.00 0.00 C ATOM 669 C ALA A 45 -3.410 6.152 -5.381 1.00 0.00 C ATOM 670 O ALA A 45 -3.805 6.104 -4.209 1.00 0.00 O ATOM 671 CB ALA A 45 -1.137 5.306 -6.021 1.00 0.00 C ATOM 0 H ALA A 45 -2.428 4.801 -8.078 1.00 0.00 H new ATOM 0 HA ALA A 45 -2.774 4.107 -5.361 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -0.793 5.536 -5.013 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -0.587 4.446 -6.405 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.964 6.166 -6.668 1.00 0.00 H new ATOM 677 N TYR A 46 -3.663 7.180 -6.212 1.00 0.00 N ATOM 678 CA TYR A 46 -4.416 8.367 -5.796 1.00 0.00 C ATOM 679 C TYR A 46 -5.906 8.041 -5.661 1.00 0.00 C ATOM 680 O TYR A 46 -6.577 8.530 -4.747 1.00 0.00 O ATOM 681 CB TYR A 46 -4.221 9.494 -6.812 1.00 0.00 C ATOM 682 CG TYR A 46 -4.202 10.875 -6.196 1.00 0.00 C ATOM 683 CD1 TYR A 46 -3.012 11.449 -5.767 1.00 0.00 C ATOM 684 CD2 TYR A 46 -5.374 11.605 -6.043 1.00 0.00 C ATOM 685 CE1 TYR A 46 -2.990 12.711 -5.203 1.00 0.00 C ATOM 686 CE2 TYR A 46 -5.361 12.867 -5.481 1.00 0.00 C ATOM 687 CZ TYR A 46 -4.167 13.415 -5.063 1.00 0.00 C ATOM 688 OH TYR A 46 -4.150 14.672 -4.502 1.00 0.00 O ATOM 0 H TYR A 46 -3.352 7.207 -7.183 1.00 0.00 H new ATOM 0 HA TYR A 46 -4.041 8.690 -4.825 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -3.284 9.331 -7.346 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -5.021 9.447 -7.551 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -2.088 10.900 -5.876 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -6.311 11.179 -6.369 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -2.056 13.143 -4.874 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -6.281 13.421 -5.370 1.00 0.00 H new ATOM 0 HH TYR A 46 -5.061 15.032 -4.477 1.00 0.00 H new ATOM 698 N ALA A 47 -6.402 7.190 -6.576 1.00 0.00 N ATOM 699 CA ALA A 47 -7.806 6.763 -6.587 1.00 0.00 C ATOM 700 C ALA A 47 -8.152 5.900 -5.374 1.00 0.00 C ATOM 701 O ALA A 47 -9.165 6.139 -4.705 1.00 0.00 O ATOM 702 CB ALA A 47 -8.104 6.001 -7.864 1.00 0.00 C ATOM 0 H ALA A 47 -5.841 6.782 -7.324 1.00 0.00 H new ATOM 0 HA ALA A 47 -8.423 7.660 -6.540 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -9.148 5.687 -7.865 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -7.918 6.645 -8.724 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -7.461 5.123 -7.922 1.00 0.00 H new ATOM 708 N LYS A 48 -7.296 4.902 -5.082 1.00 0.00 N ATOM 709 CA LYS A 48 -7.521 4.012 -3.943 1.00 0.00 C ATOM 710 C LYS A 48 -7.323 4.756 -2.633 1.00 0.00 C ATOM 711 O LYS A 48 -8.119 4.588 -1.712 1.00 0.00 O ATOM 712 CB LYS A 48 -6.649 2.759 -4.016 1.00 0.00 C ATOM 713 CG LYS A 48 -7.115 1.757 -5.076 1.00 0.00 C ATOM 714 CD LYS A 48 -8.363 0.952 -4.667 1.00 0.00 C ATOM 715 CE LYS A 48 -9.690 1.644 -5.027 1.00 0.00 C ATOM 716 NZ LYS A 48 -9.572 2.577 -6.188 1.00 0.00 N ATOM 0 H LYS A 48 -6.452 4.699 -5.618 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.557 3.675 -3.986 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.621 3.052 -4.230 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.645 2.271 -3.042 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.328 2.294 -6.001 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.301 1.064 -5.289 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.330 -0.024 -5.151 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.335 0.776 -3.592 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -10.438 0.885 -5.254 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -10.051 2.197 -4.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.485 3.049 -6.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.844 3.291 -5.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.305 2.041 -7.038 1.00 0.00 H new ATOM 730 N ALA A 49 -6.255 5.579 -2.554 1.00 0.00 N ATOM 731 CA ALA A 49 -6.018 6.425 -1.369 1.00 0.00 C ATOM 732 C ALA A 49 -7.260 7.299 -1.125 1.00 0.00 C ATOM 733 O ALA A 49 -7.718 7.476 0.019 1.00 0.00 O ATOM 734 CB ALA A 49 -4.777 7.288 -1.560 1.00 0.00 C ATOM 0 H ALA A 49 -5.553 5.674 -3.288 1.00 0.00 H new ATOM 0 HA ALA A 49 -5.845 5.791 -0.499 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -4.622 7.903 -0.674 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -3.909 6.647 -1.714 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -4.912 7.931 -2.430 1.00 0.00 H new ATOM 740 N LEU A 50 -7.825 7.804 -2.245 1.00 0.00 N ATOM 741 CA LEU A 50 -9.055 8.597 -2.228 1.00 0.00 C ATOM 742 C LEU A 50 -10.209 7.721 -1.719 1.00 0.00 C ATOM 743 O LEU A 50 -11.113 8.190 -1.012 1.00 0.00 O ATOM 744 CB LEU A 50 -9.365 9.141 -3.640 1.00 0.00 C ATOM 745 CG LEU A 50 -9.197 10.666 -3.877 1.00 0.00 C ATOM 746 CD1 LEU A 50 -10.181 11.482 -3.041 1.00 0.00 C ATOM 747 CD2 LEU A 50 -7.762 11.126 -3.616 1.00 0.00 C ATOM 0 H LEU A 50 -7.436 7.669 -3.178 1.00 0.00 H new ATOM 0 HA LEU A 50 -8.930 9.450 -1.561 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -8.723 8.618 -4.349 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -10.393 8.875 -3.884 1.00 0.00 H new ATOM 0 HG LEU A 50 -9.422 10.844 -4.929 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -10.031 12.544 -3.236 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -11.201 11.205 -3.307 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -10.014 11.280 -1.983 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.686 12.199 -3.793 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -7.493 10.909 -2.582 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -7.083 10.599 -4.286 1.00 0.00 H new ATOM 759 N ARG A 51 -10.149 6.424 -2.076 1.00 0.00 N ATOM 760 CA ARG A 51 -11.139 5.447 -1.624 1.00 0.00 C ATOM 761 C ARG A 51 -10.943 5.142 -0.127 1.00 0.00 C ATOM 762 O ARG A 51 -11.898 4.789 0.573 1.00 0.00 O ATOM 763 CB ARG A 51 -11.073 4.163 -2.451 1.00 0.00 C ATOM 764 CG ARG A 51 -11.786 4.241 -3.808 1.00 0.00 C ATOM 765 CD ARG A 51 -12.785 3.093 -3.961 1.00 0.00 C ATOM 766 NE ARG A 51 -13.925 3.406 -4.827 1.00 0.00 N ATOM 767 CZ ARG A 51 -15.166 2.919 -4.636 1.00 0.00 C ATOM 768 NH1 ARG A 51 -15.435 2.115 -3.608 1.00 0.00 N ATOM 769 NH2 ARG A 51 -16.126 3.195 -5.502 1.00 0.00 N ATOM 0 H ARG A 51 -9.422 6.035 -2.677 1.00 0.00 H new ATOM 0 HA ARG A 51 -12.129 5.879 -1.766 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -10.027 3.908 -2.619 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -11.510 3.350 -1.871 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -12.305 5.195 -3.897 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -11.052 4.201 -4.613 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -12.265 2.223 -4.363 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -13.157 2.815 -2.975 1.00 0.00 H new ATOM 0 HE ARG A 51 -13.770 4.028 -5.620 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -14.696 1.861 -2.953 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -16.380 1.754 -3.476 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -15.927 3.777 -6.316 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -17.066 2.826 -5.357 1.00 0.00 H new ATOM 783 N ILE A 52 -9.690 5.293 0.359 1.00 0.00 N ATOM 784 CA ILE A 52 -9.371 5.109 1.784 1.00 0.00 C ATOM 785 C ILE A 52 -10.065 6.222 2.569 1.00 0.00 C ATOM 786 O ILE A 52 -10.603 5.989 3.655 1.00 0.00 O ATOM 787 CB ILE A 52 -7.818 5.106 2.039 1.00 0.00 C ATOM 788 CG1 ILE A 52 -7.258 3.675 2.017 1.00 0.00 C ATOM 789 CG2 ILE A 52 -7.433 5.774 3.361 1.00 0.00 C ATOM 790 CD1 ILE A 52 -7.191 3.050 0.640 1.00 0.00 C ATOM 0 H ILE A 52 -8.887 5.542 -0.219 1.00 0.00 H new ATOM 0 HA ILE A 52 -9.732 4.136 2.118 1.00 0.00 H new ATOM 0 HB ILE A 52 -7.380 5.688 1.228 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -6.257 3.683 2.448 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -7.876 3.046 2.658 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -6.350 5.742 3.483 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -7.767 6.811 3.355 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -7.907 5.245 4.188 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -6.784 2.042 0.717 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -8.192 3.006 0.212 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -6.548 3.652 -0.002 1.00 0.00 H new ATOM 802 N GLU A 53 -10.033 7.437 1.994 1.00 0.00 N ATOM 803 CA GLU A 53 -10.721 8.588 2.588 1.00 0.00 C ATOM 804 C GLU A 53 -12.224 8.538 2.274 1.00 0.00 C ATOM 805 O GLU A 53 -12.992 9.278 2.870 1.00 0.00 O ATOM 806 CB GLU A 53 -10.099 9.948 2.196 1.00 0.00 C ATOM 807 CG GLU A 53 -9.626 10.062 0.758 1.00 0.00 C ATOM 808 CD GLU A 53 -9.116 11.449 0.419 1.00 0.00 C ATOM 809 OE1 GLU A 53 -7.904 11.695 0.595 1.00 0.00 O ATOM 810 OE2 GLU A 53 -9.928 12.288 -0.024 1.00 0.00 O ATOM 0 H GLU A 53 -9.541 7.643 1.125 1.00 0.00 H new ATOM 0 HA GLU A 53 -10.587 8.510 3.667 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -10.835 10.731 2.381 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -9.253 10.144 2.855 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -8.834 9.335 0.582 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -10.447 9.807 0.088 1.00 0.00 H new ATOM 817 N LEU A 54 -12.637 7.717 1.279 1.00 0.00 N ATOM 818 CA LEU A 54 -14.069 7.530 1.001 1.00 0.00 C ATOM 819 C LEU A 54 -14.668 6.624 2.068 1.00 0.00 C ATOM 820 O LEU A 54 -15.842 6.739 2.424 1.00 0.00 O ATOM 821 CB LEU A 54 -14.333 6.984 -0.435 1.00 0.00 C ATOM 822 CG LEU A 54 -14.435 5.430 -0.695 1.00 0.00 C ATOM 823 CD1 LEU A 54 -15.499 4.718 0.147 1.00 0.00 C ATOM 824 CD2 LEU A 54 -14.761 5.165 -2.150 1.00 0.00 C ATOM 0 H LEU A 54 -12.011 7.188 0.672 1.00 0.00 H new ATOM 0 HA LEU A 54 -14.558 8.503 1.038 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -15.265 7.430 -0.783 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -13.538 7.366 -1.076 1.00 0.00 H new ATOM 0 HG LEU A 54 -13.461 5.033 -0.411 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -15.502 3.655 -0.094 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -15.274 4.850 1.205 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -16.479 5.142 -0.071 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -14.829 4.090 -2.318 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -15.713 5.632 -2.400 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -13.976 5.582 -2.781 1.00 0.00 H new ATOM 836 N ALA A 55 -13.818 5.701 2.533 1.00 0.00 N ATOM 837 CA ALA A 55 -14.139 4.726 3.591 1.00 0.00 C ATOM 838 C ALA A 55 -14.755 5.378 4.829 1.00 0.00 C ATOM 839 O ALA A 55 -15.324 4.712 5.698 1.00 0.00 O ATOM 840 CB ALA A 55 -12.889 3.970 3.978 1.00 0.00 C ATOM 0 H ALA A 55 -12.866 5.606 2.179 1.00 0.00 H new ATOM 0 HA ALA A 55 -14.886 4.043 3.186 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -13.127 3.249 4.760 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -12.498 3.444 3.107 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -12.139 4.671 4.346 1.00 0.00 H new ATOM 846 N GLN A 56 -14.621 6.687 4.859 1.00 0.00 N ATOM 847 CA GLN A 56 -15.127 7.536 5.921 1.00 0.00 C ATOM 848 C GLN A 56 -16.415 8.215 5.510 1.00 0.00 C ATOM 849 O GLN A 56 -16.721 9.317 5.969 1.00 0.00 O ATOM 850 CB GLN A 56 -14.045 8.531 6.404 1.00 0.00 C ATOM 851 CG GLN A 56 -13.512 9.477 5.346 1.00 0.00 C ATOM 852 CD GLN A 56 -12.722 10.628 5.937 1.00 0.00 C ATOM 853 OE1 GLN A 56 -11.504 10.542 6.097 1.00 0.00 O ATOM 854 NE2 GLN A 56 -13.412 11.713 6.268 1.00 0.00 N ATOM 0 H GLN A 56 -14.143 7.207 4.123 1.00 0.00 H new ATOM 0 HA GLN A 56 -15.371 6.908 6.778 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -14.458 9.123 7.221 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -13.210 7.963 6.813 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -12.877 8.923 4.655 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -14.345 9.873 4.765 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -14.421 11.741 6.118 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -12.934 12.518 6.672 1.00 0.00 H new ATOM 863 N LEU A 57 -17.162 7.532 4.628 1.00 0.00 N ATOM 864 CA LEU A 57 -18.451 8.008 4.150 1.00 0.00 C ATOM 865 C LEU A 57 -19.390 8.251 5.303 1.00 0.00 C ATOM 866 O LEU A 57 -20.224 7.416 5.683 1.00 0.00 O ATOM 867 CB LEU A 57 -19.086 7.038 3.138 1.00 0.00 C ATOM 868 CG LEU A 57 -20.588 7.274 2.818 1.00 0.00 C ATOM 869 CD1 LEU A 57 -20.798 8.436 1.854 1.00 0.00 C ATOM 870 CD2 LEU A 57 -21.233 6.003 2.287 1.00 0.00 C ATOM 0 H LEU A 57 -16.881 6.635 4.232 1.00 0.00 H new ATOM 0 HA LEU A 57 -18.274 8.951 3.633 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -18.523 7.096 2.206 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -18.971 6.022 3.517 1.00 0.00 H new ATOM 0 HG LEU A 57 -21.076 7.546 3.754 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -21.864 8.561 1.661 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -20.399 9.350 2.294 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -20.282 8.229 0.917 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -22.284 6.192 2.070 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -20.724 5.691 1.375 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -21.153 5.214 3.035 1.00 0.00 H new ATOM 882 N VAL A 58 -19.174 9.397 5.884 1.00 0.00 N ATOM 883 CA VAL A 58 -20.009 9.891 6.925 1.00 0.00 C ATOM 884 C VAL A 58 -21.141 10.587 6.179 1.00 0.00 C ATOM 885 O VAL A 58 -22.240 10.783 6.704 1.00 0.00 O ATOM 886 CB VAL A 58 -19.227 10.856 7.862 1.00 0.00 C ATOM 887 CG1 VAL A 58 -20.128 11.482 8.928 1.00 0.00 C ATOM 888 CG2 VAL A 58 -18.059 10.130 8.529 1.00 0.00 C ATOM 0 H VAL A 58 -18.402 10.017 5.640 1.00 0.00 H new ATOM 0 HA VAL A 58 -20.380 9.109 7.588 1.00 0.00 H new ATOM 0 HB VAL A 58 -18.842 11.662 7.238 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -19.538 12.148 9.558 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -20.923 12.050 8.445 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -20.566 10.695 9.542 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -17.525 10.822 9.180 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -18.438 9.296 9.119 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -17.380 9.754 7.764 1.00 0.00 H new ATOM 898 N GLN A 59 -20.811 10.956 4.910 1.00 0.00 N ATOM 899 CA GLN A 59 -21.780 11.610 4.008 1.00 0.00 C ATOM 900 C GLN A 59 -21.386 11.628 2.513 1.00 0.00 C ATOM 901 O GLN A 59 -22.168 11.174 1.672 1.00 0.00 O ATOM 902 CB GLN A 59 -22.054 13.057 4.473 1.00 0.00 C ATOM 903 CG GLN A 59 -20.790 13.796 4.936 1.00 0.00 C ATOM 904 CD GLN A 59 -20.692 15.238 4.443 1.00 0.00 C ATOM 905 OE1 GLN A 59 -19.598 15.731 4.170 1.00 0.00 O ATOM 906 NE2 GLN A 59 -21.826 15.933 4.349 1.00 0.00 N ATOM 0 H GLN A 59 -19.889 10.810 4.499 1.00 0.00 H new ATOM 0 HA GLN A 59 -22.676 10.993 4.075 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -22.513 13.613 3.655 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -22.775 13.038 5.290 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -20.760 13.794 6.026 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -19.914 13.246 4.592 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -22.715 15.492 4.583 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -21.804 16.906 4.043 1.00 0.00 H new ATOM 915 N VAL A 60 -20.189 12.149 2.185 1.00 0.00 N ATOM 916 CA VAL A 60 -19.757 12.281 0.772 1.00 0.00 C ATOM 917 C VAL A 60 -18.471 11.532 0.426 1.00 0.00 C ATOM 918 O VAL A 60 -18.174 11.280 -0.759 1.00 0.00 O ATOM 919 CB VAL A 60 -19.581 13.767 0.356 1.00 0.00 C ATOM 920 CG1 VAL A 60 -20.927 14.387 0.015 1.00 0.00 C ATOM 921 CG2 VAL A 60 -18.871 14.596 1.430 1.00 0.00 C ATOM 0 H VAL A 60 -19.508 12.483 2.867 1.00 0.00 H new ATOM 0 HA VAL A 60 -20.569 11.819 0.211 1.00 0.00 H new ATOM 0 HB VAL A 60 -18.945 13.776 -0.529 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -20.785 15.428 -0.274 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -21.381 13.840 -0.811 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -21.581 14.338 0.886 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -18.774 15.627 1.089 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -19.453 14.572 2.352 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -17.881 14.180 1.615 1.00 0.00 H new ATOM 931 N ASP A 61 -17.700 11.193 1.455 1.00 0.00 N ATOM 932 CA ASP A 61 -16.399 10.535 1.276 1.00 0.00 C ATOM 933 C ASP A 61 -16.461 9.408 0.237 1.00 0.00 C ATOM 934 O ASP A 61 -15.688 9.416 -0.733 1.00 0.00 O ATOM 935 CB ASP A 61 -15.856 10.046 2.625 1.00 0.00 C ATOM 936 CG ASP A 61 -16.015 11.087 3.723 1.00 0.00 C ATOM 937 OD1 ASP A 61 -17.133 11.214 4.264 1.00 0.00 O ATOM 938 OD2 ASP A 61 -15.024 11.782 4.030 1.00 0.00 O ATOM 0 H ASP A 61 -17.951 11.362 2.429 1.00 0.00 H new ATOM 0 HA ASP A 61 -15.701 11.273 0.881 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -16.377 9.133 2.915 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -14.802 9.791 2.519 1.00 0.00 H new ATOM 943 N LYS A 62 -17.393 8.459 0.422 1.00 0.00 N ATOM 944 CA LYS A 62 -17.576 7.332 -0.534 1.00 0.00 C ATOM 945 C LYS A 62 -17.705 7.813 -1.997 1.00 0.00 C ATOM 946 O LYS A 62 -17.168 7.178 -2.914 1.00 0.00 O ATOM 947 CB LYS A 62 -18.809 6.485 -0.157 1.00 0.00 C ATOM 948 CG LYS A 62 -19.558 5.842 -1.337 1.00 0.00 C ATOM 949 CD LYS A 62 -21.020 6.292 -1.406 1.00 0.00 C ATOM 950 CE LYS A 62 -21.191 7.699 -1.979 1.00 0.00 C ATOM 951 NZ LYS A 62 -21.970 7.692 -3.248 1.00 0.00 N ATOM 0 H LYS A 62 -18.032 8.441 1.217 1.00 0.00 H new ATOM 0 HA LYS A 62 -16.678 6.719 -0.463 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -18.491 5.694 0.523 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -19.507 7.116 0.393 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -19.055 6.101 -2.269 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -19.517 4.757 -1.243 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -21.582 5.587 -2.018 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -21.451 6.259 -0.405 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -21.695 8.330 -1.247 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -20.210 8.140 -2.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -22.165 8.671 -3.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -21.421 7.212 -3.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -22.868 7.189 -3.101 1.00 0.00 H new ATOM 965 N VAL A 63 -18.401 8.945 -2.195 1.00 0.00 N ATOM 966 CA VAL A 63 -18.641 9.492 -3.535 1.00 0.00 C ATOM 967 C VAL A 63 -17.342 10.022 -4.166 1.00 0.00 C ATOM 968 O VAL A 63 -17.077 9.785 -5.361 1.00 0.00 O ATOM 969 CB VAL A 63 -19.786 10.561 -3.515 1.00 0.00 C ATOM 970 CG1 VAL A 63 -19.319 11.953 -3.110 1.00 0.00 C ATOM 971 CG2 VAL A 63 -20.516 10.603 -4.853 1.00 0.00 C ATOM 0 H VAL A 63 -18.807 9.498 -1.440 1.00 0.00 H new ATOM 0 HA VAL A 63 -18.985 8.680 -4.176 1.00 0.00 H new ATOM 0 HB VAL A 63 -20.480 10.239 -2.739 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -20.167 12.638 -3.119 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -18.893 11.916 -2.107 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -18.563 12.302 -3.813 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -21.306 11.353 -4.813 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -19.811 10.860 -5.644 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -20.953 9.626 -5.060 1.00 0.00 H new ATOM 981 N ARG A 64 -16.515 10.703 -3.350 1.00 0.00 N ATOM 982 CA ARG A 64 -15.222 11.226 -3.867 1.00 0.00 C ATOM 983 C ARG A 64 -14.316 10.068 -4.282 1.00 0.00 C ATOM 984 O ARG A 64 -13.715 10.088 -5.367 1.00 0.00 O ATOM 985 CB ARG A 64 -14.443 12.127 -2.887 1.00 0.00 C ATOM 986 CG ARG A 64 -14.898 12.059 -1.449 1.00 0.00 C ATOM 987 CD ARG A 64 -15.923 13.134 -1.122 1.00 0.00 C ATOM 988 NE ARG A 64 -16.739 13.550 -2.275 1.00 0.00 N ATOM 989 CZ ARG A 64 -17.419 14.703 -2.352 1.00 0.00 C ATOM 990 NH1 ARG A 64 -17.400 15.583 -1.352 1.00 0.00 N ATOM 991 NH2 ARG A 64 -18.123 14.976 -3.442 1.00 0.00 N ATOM 0 H ARG A 64 -16.702 10.902 -2.367 1.00 0.00 H new ATOM 0 HA ARG A 64 -15.495 11.853 -4.716 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -13.388 11.856 -2.930 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -14.521 13.159 -3.227 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -15.328 11.077 -1.251 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -14.036 12.168 -0.791 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -16.583 12.766 -0.336 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -15.406 14.006 -0.722 1.00 0.00 H new ATOM 0 HE ARG A 64 -16.791 12.916 -3.072 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -16.861 15.385 -0.509 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -17.924 16.455 -1.430 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -18.145 14.311 -4.215 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -18.643 15.851 -3.508 1.00 0.00 H new ATOM 1005 N GLY A 65 -14.251 9.039 -3.413 1.00 0.00 N ATOM 1006 CA GLY A 65 -13.430 7.869 -3.688 1.00 0.00 C ATOM 1007 C GLY A 65 -13.902 7.052 -4.879 1.00 0.00 C ATOM 1008 O GLY A 65 -13.073 6.494 -5.602 1.00 0.00 O ATOM 0 H GLY A 65 -14.756 9.005 -2.527 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -12.404 8.191 -3.864 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -13.417 7.231 -2.804 1.00 0.00 H new ATOM 1012 N THR A 66 -15.232 6.975 -5.091 1.00 0.00 N ATOM 1013 CA THR A 66 -15.780 6.217 -6.225 1.00 0.00 C ATOM 1014 C THR A 66 -15.447 6.908 -7.562 1.00 0.00 C ATOM 1015 O THR A 66 -15.044 6.246 -8.533 1.00 0.00 O ATOM 1016 CB THR A 66 -17.313 5.946 -6.085 1.00 0.00 C ATOM 1017 OG1 THR A 66 -17.715 4.955 -7.037 1.00 0.00 O ATOM 1018 CG2 THR A 66 -18.170 7.191 -6.282 1.00 0.00 C ATOM 0 H THR A 66 -15.933 7.422 -4.500 1.00 0.00 H new ATOM 0 HA THR A 66 -15.296 5.240 -6.217 1.00 0.00 H new ATOM 0 HB THR A 66 -17.472 5.601 -5.063 1.00 0.00 H new ATOM 0 HG1 THR A 66 -18.676 4.785 -6.947 1.00 0.00 H new ATOM 0 HG21 THR A 66 -19.222 6.930 -6.171 1.00 0.00 H new ATOM 0 HG22 THR A 66 -17.901 7.939 -5.536 1.00 0.00 H new ATOM 0 HG23 THR A 66 -18.000 7.596 -7.280 1.00 0.00 H new ATOM 1026 N LEU A 67 -15.587 8.252 -7.586 1.00 0.00 N ATOM 1027 CA LEU A 67 -15.274 9.051 -8.784 1.00 0.00 C ATOM 1028 C LEU A 67 -13.772 8.979 -9.100 1.00 0.00 C ATOM 1029 O LEU A 67 -13.374 8.907 -10.270 1.00 0.00 O ATOM 1030 CB LEU A 67 -15.711 10.521 -8.568 1.00 0.00 C ATOM 1031 CG LEU A 67 -16.178 11.336 -9.806 1.00 0.00 C ATOM 1032 CD1 LEU A 67 -15.051 11.547 -10.813 1.00 0.00 C ATOM 1033 CD2 LEU A 67 -17.389 10.694 -10.483 1.00 0.00 C ATOM 0 H LEU A 67 -15.914 8.801 -6.791 1.00 0.00 H new ATOM 0 HA LEU A 67 -15.823 8.642 -9.632 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -16.523 10.524 -7.841 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -14.875 11.054 -8.114 1.00 0.00 H new ATOM 0 HG LEU A 67 -16.478 12.316 -9.434 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -15.424 12.121 -11.661 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -14.235 12.091 -10.337 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -14.688 10.580 -11.161 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -17.685 11.294 -11.344 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -17.130 9.688 -10.813 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -18.216 10.642 -9.775 1.00 0.00 H new ATOM 1045 N ALA A 68 -12.949 8.972 -8.035 1.00 0.00 N ATOM 1046 CA ALA A 68 -11.489 8.875 -8.160 1.00 0.00 C ATOM 1047 C ALA A 68 -11.101 7.474 -8.636 1.00 0.00 C ATOM 1048 O ALA A 68 -10.241 7.306 -9.517 1.00 0.00 O ATOM 1049 CB ALA A 68 -10.819 9.188 -6.827 1.00 0.00 C ATOM 0 H ALA A 68 -13.278 9.033 -7.071 1.00 0.00 H new ATOM 0 HA ALA A 68 -11.148 9.605 -8.894 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -9.737 9.112 -6.937 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -11.082 10.199 -6.516 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -11.158 8.477 -6.073 1.00 0.00 H new ATOM 1055 N LYS A 69 -11.795 6.474 -8.061 1.00 0.00 N ATOM 1056 CA LYS A 69 -11.605 5.068 -8.384 1.00 0.00 C ATOM 1057 C LYS A 69 -11.759 4.835 -9.879 1.00 0.00 C ATOM 1058 O LYS A 69 -10.890 4.237 -10.491 1.00 0.00 O ATOM 1059 CB LYS A 69 -12.589 4.225 -7.566 1.00 0.00 C ATOM 1060 CG LYS A 69 -13.196 3.060 -8.328 1.00 0.00 C ATOM 1061 CD LYS A 69 -12.742 1.710 -7.791 1.00 0.00 C ATOM 1062 CE LYS A 69 -13.817 1.036 -6.951 1.00 0.00 C ATOM 1063 NZ LYS A 69 -13.627 -0.439 -6.885 1.00 0.00 N ATOM 0 H LYS A 69 -12.510 6.633 -7.351 1.00 0.00 H new ATOM 0 HA LYS A 69 -10.592 4.763 -8.121 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -12.075 3.840 -6.685 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -13.393 4.869 -7.210 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -14.283 3.122 -8.274 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -12.925 3.138 -9.381 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -12.474 1.061 -8.624 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -11.843 1.844 -7.189 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -13.802 1.449 -5.943 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -14.798 1.257 -7.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -14.380 -0.860 -6.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -13.667 -0.837 -7.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -12.702 -0.651 -6.460 1.00 0.00 H new ATOM 1077 N LEU A 70 -12.869 5.323 -10.448 1.00 0.00 N ATOM 1078 CA LEU A 70 -13.130 5.202 -11.883 1.00 0.00 C ATOM 1079 C LEU A 70 -12.071 5.998 -12.672 1.00 0.00 C ATOM 1080 O LEU A 70 -11.468 5.481 -13.646 1.00 0.00 O ATOM 1081 CB LEU A 70 -14.575 5.679 -12.160 1.00 0.00 C ATOM 1082 CG LEU A 70 -14.860 6.338 -13.519 1.00 0.00 C ATOM 1083 CD1 LEU A 70 -16.250 5.966 -14.012 1.00 0.00 C ATOM 1084 CD2 LEU A 70 -14.725 7.850 -13.403 1.00 0.00 C ATOM 0 H LEU A 70 -13.603 5.807 -9.931 1.00 0.00 H new ATOM 0 HA LEU A 70 -13.051 4.166 -12.214 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -15.238 4.819 -12.058 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -14.850 6.388 -11.379 1.00 0.00 H new ATOM 0 HG LEU A 70 -14.132 5.974 -14.243 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -16.434 6.442 -14.975 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -16.319 4.884 -14.123 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -16.994 6.305 -13.292 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -14.929 8.309 -14.371 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -15.437 8.223 -12.667 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -13.712 8.102 -13.088 1.00 0.00 H new ATOM 1096 N GLU A 71 -11.805 7.234 -12.173 1.00 0.00 N ATOM 1097 CA GLU A 71 -10.829 8.163 -12.775 1.00 0.00 C ATOM 1098 C GLU A 71 -9.528 7.436 -13.128 1.00 0.00 C ATOM 1099 O GLU A 71 -8.945 7.663 -14.192 1.00 0.00 O ATOM 1100 CB GLU A 71 -10.602 9.360 -11.808 1.00 0.00 C ATOM 1101 CG GLU A 71 -9.190 9.524 -11.222 1.00 0.00 C ATOM 1102 CD GLU A 71 -8.260 10.302 -12.136 1.00 0.00 C ATOM 1103 OE1 GLU A 71 -8.270 11.549 -12.069 1.00 0.00 O ATOM 1104 OE2 GLU A 71 -7.523 9.664 -12.916 1.00 0.00 O ATOM 0 H GLU A 71 -12.264 7.608 -11.343 1.00 0.00 H new ATOM 0 HA GLU A 71 -11.221 8.556 -13.713 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -10.858 10.277 -12.338 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -11.304 9.264 -10.980 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -9.257 10.034 -10.261 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -8.764 8.539 -11.031 1.00 0.00 H new ATOM 1111 N ALA A 72 -9.097 6.566 -12.214 1.00 0.00 N ATOM 1112 CA ALA A 72 -7.901 5.765 -12.417 1.00 0.00 C ATOM 1113 C ALA A 72 -8.239 4.430 -13.067 1.00 0.00 C ATOM 1114 O ALA A 72 -7.606 4.041 -14.036 1.00 0.00 O ATOM 1115 CB ALA A 72 -7.201 5.532 -11.102 1.00 0.00 C ATOM 0 H ALA A 72 -9.565 6.401 -11.323 1.00 0.00 H new ATOM 0 HA ALA A 72 -7.238 6.314 -13.085 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -6.307 4.931 -11.267 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -6.919 6.490 -10.665 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -7.871 5.006 -10.421 1.00 0.00 H new ATOM 1121 N PHE A 73 -9.286 3.768 -12.561 1.00 0.00 N ATOM 1122 CA PHE A 73 -9.738 2.441 -13.040 1.00 0.00 C ATOM 1123 C PHE A 73 -9.975 2.386 -14.559 1.00 0.00 C ATOM 1124 O PHE A 73 -10.294 1.322 -15.103 1.00 0.00 O ATOM 1125 CB PHE A 73 -11.033 2.065 -12.298 1.00 0.00 C ATOM 1126 CG PHE A 73 -10.973 0.823 -11.436 1.00 0.00 C ATOM 1127 CD1 PHE A 73 -12.014 -0.093 -11.468 1.00 0.00 C ATOM 1128 CD2 PHE A 73 -9.905 0.581 -10.575 1.00 0.00 C ATOM 1129 CE1 PHE A 73 -11.993 -1.219 -10.670 1.00 0.00 C ATOM 1130 CE2 PHE A 73 -9.879 -0.548 -9.778 1.00 0.00 C ATOM 1131 CZ PHE A 73 -10.925 -1.448 -9.825 1.00 0.00 C ATOM 0 H PHE A 73 -9.855 4.136 -11.799 1.00 0.00 H new ATOM 0 HA PHE A 73 -8.940 1.729 -12.830 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -11.323 2.906 -11.668 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -11.824 1.932 -13.036 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -12.853 0.077 -12.127 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -9.087 1.285 -10.530 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -12.812 -1.922 -10.706 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -9.042 -0.726 -9.119 1.00 0.00 H new ATOM 0 HZ PHE A 73 -10.908 -2.330 -9.202 1.00 0.00 H new ATOM 1141 N ALA A 74 -9.820 3.542 -15.221 1.00 0.00 N ATOM 1142 CA ALA A 74 -9.981 3.673 -16.675 1.00 0.00 C ATOM 1143 C ALA A 74 -9.378 2.527 -17.526 1.00 0.00 C ATOM 1144 O ALA A 74 -10.146 1.795 -18.157 1.00 0.00 O ATOM 1145 CB ALA A 74 -9.426 5.019 -17.130 1.00 0.00 C ATOM 0 H ALA A 74 -9.578 4.418 -14.758 1.00 0.00 H new ATOM 0 HA ALA A 74 -11.054 3.606 -16.852 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -9.546 5.116 -18.209 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -9.967 5.823 -16.631 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -8.368 5.081 -16.875 1.00 0.00 H new ATOM 1151 N ASP A 75 -8.038 2.352 -17.559 1.00 0.00 N ATOM 1152 CA ASP A 75 -7.454 1.282 -18.397 1.00 0.00 C ATOM 1153 C ASP A 75 -6.324 0.477 -17.743 1.00 0.00 C ATOM 1154 O ASP A 75 -6.485 -0.719 -17.485 1.00 0.00 O ATOM 1155 CB ASP A 75 -6.985 1.851 -19.748 1.00 0.00 C ATOM 1156 CG ASP A 75 -8.140 2.267 -20.640 1.00 0.00 C ATOM 1157 OD1 ASP A 75 -8.619 1.421 -21.424 1.00 0.00 O ATOM 1158 OD2 ASP A 75 -8.564 3.439 -20.554 1.00 0.00 O ATOM 0 H ASP A 75 -7.364 2.913 -17.038 1.00 0.00 H new ATOM 0 HA ASP A 75 -8.266 0.569 -18.541 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -6.340 2.711 -19.571 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -6.384 1.102 -20.264 1.00 0.00 H new ATOM 1163 N THR A 76 -5.195 1.137 -17.478 1.00 0.00 N ATOM 1164 CA THR A 76 -4.004 0.466 -16.917 1.00 0.00 C ATOM 1165 C THR A 76 -3.933 0.675 -15.411 1.00 0.00 C ATOM 1166 O THR A 76 -2.858 0.711 -14.799 1.00 0.00 O ATOM 1167 CB THR A 76 -2.693 0.936 -17.628 1.00 0.00 C ATOM 1168 OG1 THR A 76 -1.557 0.247 -17.086 1.00 0.00 O ATOM 1169 CG2 THR A 76 -2.468 2.448 -17.520 1.00 0.00 C ATOM 0 H THR A 76 -5.073 2.137 -17.640 1.00 0.00 H new ATOM 0 HA THR A 76 -4.099 -0.604 -17.103 1.00 0.00 H new ATOM 0 HB THR A 76 -2.810 0.695 -18.685 1.00 0.00 H new ATOM 0 HG1 THR A 76 -1.596 0.271 -16.107 1.00 0.00 H new ATOM 0 HG21 THR A 76 -1.544 2.716 -18.032 1.00 0.00 H new ATOM 0 HG22 THR A 76 -3.304 2.974 -17.982 1.00 0.00 H new ATOM 0 HG23 THR A 76 -2.397 2.731 -16.470 1.00 0.00 H new ATOM 1177 N VAL A 77 -5.120 0.784 -14.839 1.00 0.00 N ATOM 1178 CA VAL A 77 -5.311 1.032 -13.418 1.00 0.00 C ATOM 1179 C VAL A 77 -6.698 0.521 -12.996 1.00 0.00 C ATOM 1180 O VAL A 77 -7.306 1.007 -12.036 1.00 0.00 O ATOM 1181 CB VAL A 77 -5.139 2.542 -13.112 1.00 0.00 C ATOM 1182 CG1 VAL A 77 -3.725 2.790 -12.609 1.00 0.00 C ATOM 1183 CG2 VAL A 77 -5.415 3.408 -14.350 1.00 0.00 C ATOM 0 H VAL A 77 -5.994 0.701 -15.358 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.558 0.494 -12.842 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.864 2.823 -12.348 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -3.597 3.850 -12.392 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -3.555 2.211 -11.702 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -3.009 2.487 -13.373 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -5.284 4.460 -14.095 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.720 3.138 -15.145 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -6.437 3.242 -14.690 1.00 0.00 H new ATOM 1193 N ALA A 78 -7.156 -0.506 -13.734 1.00 0.00 N ATOM 1194 CA ALA A 78 -8.460 -1.144 -13.538 1.00 0.00 C ATOM 1195 C ALA A 78 -8.339 -2.393 -12.622 1.00 0.00 C ATOM 1196 O ALA A 78 -7.306 -2.533 -11.969 1.00 0.00 O ATOM 1197 CB ALA A 78 -9.023 -1.476 -14.921 1.00 0.00 C ATOM 0 H ALA A 78 -6.617 -0.919 -14.495 1.00 0.00 H new ATOM 0 HA ALA A 78 -9.148 -0.473 -13.024 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -9.997 -1.954 -14.812 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -9.132 -0.559 -15.499 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -8.343 -2.153 -15.438 1.00 0.00 H new ATOM 1203 N PRO A 79 -9.386 -3.307 -12.505 1.00 0.00 N ATOM 1204 CA PRO A 79 -9.300 -4.521 -11.646 1.00 0.00 C ATOM 1205 C PRO A 79 -8.073 -5.408 -11.930 1.00 0.00 C ATOM 1206 O PRO A 79 -8.163 -6.436 -12.615 1.00 0.00 O ATOM 1207 CB PRO A 79 -10.597 -5.278 -11.963 1.00 0.00 C ATOM 1208 CG PRO A 79 -11.552 -4.233 -12.395 1.00 0.00 C ATOM 1209 CD PRO A 79 -10.733 -3.219 -13.141 1.00 0.00 C ATOM 0 HA PRO A 79 -9.185 -4.246 -10.598 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -10.441 -6.019 -12.747 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -10.966 -5.813 -11.088 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -12.331 -4.653 -13.032 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -12.051 -3.780 -11.538 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -10.688 -3.447 -14.206 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -11.154 -2.218 -13.047 1.00 0.00 H new ATOM 1217 N GLN A 80 -6.925 -4.975 -11.408 1.00 0.00 N ATOM 1218 CA GLN A 80 -5.666 -5.700 -11.558 1.00 0.00 C ATOM 1219 C GLN A 80 -4.997 -5.848 -10.183 1.00 0.00 C ATOM 1220 O GLN A 80 -4.061 -5.119 -9.843 1.00 0.00 O ATOM 1221 CB GLN A 80 -4.756 -4.983 -12.594 1.00 0.00 C ATOM 1222 CG GLN A 80 -4.510 -3.491 -12.353 1.00 0.00 C ATOM 1223 CD GLN A 80 -3.603 -2.874 -13.399 1.00 0.00 C ATOM 1224 OE1 GLN A 80 -2.382 -2.854 -13.245 1.00 0.00 O ATOM 1225 NE2 GLN A 80 -4.198 -2.367 -14.473 1.00 0.00 N ATOM 0 H GLN A 80 -6.843 -4.112 -10.870 1.00 0.00 H new ATOM 0 HA GLN A 80 -5.851 -6.703 -11.943 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -3.792 -5.491 -12.614 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -5.200 -5.103 -13.582 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -5.465 -2.965 -12.349 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -4.067 -3.354 -11.367 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -5.214 -2.405 -14.559 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -3.639 -1.939 -15.211 1.00 0.00 H new ATOM 1234 N LEU A 81 -5.498 -6.815 -9.392 1.00 0.00 N ATOM 1235 CA LEU A 81 -5.007 -7.058 -8.023 1.00 0.00 C ATOM 1236 C LEU A 81 -5.574 -8.353 -7.428 1.00 0.00 C ATOM 1237 O LEU A 81 -6.423 -9.013 -8.035 1.00 0.00 O ATOM 1238 CB LEU A 81 -5.373 -5.863 -7.099 1.00 0.00 C ATOM 1239 CG LEU A 81 -6.872 -5.617 -6.789 1.00 0.00 C ATOM 1240 CD1 LEU A 81 -7.043 -4.267 -6.120 1.00 0.00 C ATOM 1241 CD2 LEU A 81 -7.765 -5.696 -8.026 1.00 0.00 C ATOM 0 H LEU A 81 -6.247 -7.444 -9.680 1.00 0.00 H new ATOM 0 HA LEU A 81 -3.924 -7.161 -8.085 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.854 -6.003 -6.151 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -4.972 -4.956 -7.551 1.00 0.00 H new ATOM 0 HG LEU A 81 -7.189 -6.417 -6.120 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -8.098 -4.099 -5.904 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.475 -4.247 -5.190 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -6.679 -3.483 -6.784 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -8.801 -5.515 -7.739 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -7.452 -4.943 -8.750 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -7.681 -6.687 -8.473 1.00 0.00 H new ATOM 1253 N SER A 82 -5.083 -8.695 -6.227 1.00 0.00 N ATOM 1254 CA SER A 82 -5.523 -9.880 -5.494 1.00 0.00 C ATOM 1255 C SER A 82 -6.766 -9.557 -4.618 1.00 0.00 C ATOM 1256 O SER A 82 -7.125 -8.382 -4.490 1.00 0.00 O ATOM 1257 CB SER A 82 -4.362 -10.404 -4.641 1.00 0.00 C ATOM 1258 OG SER A 82 -3.958 -11.695 -5.065 1.00 0.00 O ATOM 0 H SER A 82 -4.369 -8.153 -5.741 1.00 0.00 H new ATOM 0 HA SER A 82 -5.819 -10.655 -6.201 1.00 0.00 H new ATOM 0 HB2 SER A 82 -3.519 -9.716 -4.707 1.00 0.00 H new ATOM 0 HB3 SER A 82 -4.663 -10.440 -3.594 1.00 0.00 H new ATOM 0 HG SER A 82 -3.215 -12.005 -4.506 1.00 0.00 H new ATOM 1264 N PRO A 83 -7.451 -10.587 -4.002 1.00 0.00 N ATOM 1265 CA PRO A 83 -8.674 -10.388 -3.171 1.00 0.00 C ATOM 1266 C PRO A 83 -8.632 -9.267 -2.126 1.00 0.00 C ATOM 1267 O PRO A 83 -9.642 -8.577 -1.949 1.00 0.00 O ATOM 1268 CB PRO A 83 -8.853 -11.742 -2.486 1.00 0.00 C ATOM 1269 CG PRO A 83 -8.292 -12.723 -3.445 1.00 0.00 C ATOM 1270 CD PRO A 83 -7.115 -12.039 -4.086 1.00 0.00 C ATOM 0 HA PRO A 83 -9.493 -10.065 -3.814 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -8.328 -11.776 -1.531 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -9.904 -11.946 -2.279 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -7.984 -13.636 -2.936 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -9.033 -13.008 -4.192 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -6.187 -12.265 -3.560 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -6.982 -12.359 -5.120 1.00 0.00 H new ATOM 1278 N GLY A 84 -7.503 -9.072 -1.439 1.00 0.00 N ATOM 1279 CA GLY A 84 -7.463 -8.020 -0.434 1.00 0.00 C ATOM 1280 C GLY A 84 -6.184 -7.970 0.392 1.00 0.00 C ATOM 1281 O GLY A 84 -5.432 -8.941 0.433 1.00 0.00 O ATOM 0 H GLY A 84 -6.642 -9.606 -1.555 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -7.596 -7.059 -0.930 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -8.309 -8.150 0.241 1.00 0.00 H new ATOM 1285 N ASP A 85 -5.975 -6.814 1.071 1.00 0.00 N ATOM 1286 CA ASP A 85 -4.801 -6.515 1.956 1.00 0.00 C ATOM 1287 C ASP A 85 -3.410 -6.539 1.272 1.00 0.00 C ATOM 1288 O ASP A 85 -2.468 -7.168 1.770 1.00 0.00 O ATOM 1289 CB ASP A 85 -4.811 -7.386 3.235 1.00 0.00 C ATOM 1290 CG ASP A 85 -4.614 -8.880 3.005 1.00 0.00 C ATOM 1291 OD1 ASP A 85 -5.625 -9.613 2.979 1.00 0.00 O ATOM 1292 OD2 ASP A 85 -3.453 -9.312 2.854 1.00 0.00 O ATOM 0 H ASP A 85 -6.633 -6.036 1.022 1.00 0.00 H new ATOM 0 HA ASP A 85 -4.946 -5.470 2.231 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -4.026 -7.031 3.903 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -5.760 -7.236 3.750 1.00 0.00 H new ATOM 1297 N ILE A 86 -3.294 -5.844 0.140 1.00 0.00 N ATOM 1298 CA ILE A 86 -2.031 -5.737 -0.603 1.00 0.00 C ATOM 1299 C ILE A 86 -1.897 -4.400 -1.366 1.00 0.00 C ATOM 1300 O ILE A 86 -2.899 -3.814 -1.784 1.00 0.00 O ATOM 1301 CB ILE A 86 -1.785 -6.931 -1.576 1.00 0.00 C ATOM 1302 CG1 ILE A 86 -3.054 -7.281 -2.403 1.00 0.00 C ATOM 1303 CG2 ILE A 86 -1.220 -8.135 -0.822 1.00 0.00 C ATOM 1304 CD1 ILE A 86 -3.927 -8.388 -1.876 1.00 0.00 C ATOM 0 H ILE A 86 -4.069 -5.339 -0.290 1.00 0.00 H new ATOM 0 HA ILE A 86 -1.259 -5.771 0.165 1.00 0.00 H new ATOM 0 HB ILE A 86 -1.034 -6.624 -2.303 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -3.662 -6.381 -2.488 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -2.738 -7.549 -3.411 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -1.056 -8.957 -1.519 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -0.274 -7.861 -0.355 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -1.927 -8.447 -0.053 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -4.776 -8.531 -2.544 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -3.350 -9.311 -1.820 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -4.288 -8.125 -0.882 1.00 0.00 H new ATOM 1316 N VAL A 87 -0.639 -3.924 -1.485 1.00 0.00 N ATOM 1317 CA VAL A 87 -0.262 -2.709 -2.264 1.00 0.00 C ATOM 1318 C VAL A 87 1.173 -2.922 -2.821 1.00 0.00 C ATOM 1319 O VAL A 87 2.038 -3.366 -2.060 1.00 0.00 O ATOM 1320 CB VAL A 87 -0.366 -1.408 -1.403 1.00 0.00 C ATOM 1321 CG1 VAL A 87 0.484 -1.470 -0.131 1.00 0.00 C ATOM 1322 CG2 VAL A 87 -0.025 -0.158 -2.216 1.00 0.00 C ATOM 0 H VAL A 87 0.160 -4.374 -1.039 1.00 0.00 H new ATOM 0 HA VAL A 87 -0.960 -2.571 -3.090 1.00 0.00 H new ATOM 0 HB VAL A 87 -1.409 -1.340 -1.093 1.00 0.00 H new ATOM 0 HG11 VAL A 87 0.373 -0.540 0.427 1.00 0.00 H new ATOM 0 HG12 VAL A 87 0.154 -2.305 0.487 1.00 0.00 H new ATOM 0 HG13 VAL A 87 1.531 -1.609 -0.400 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.109 0.724 -1.581 1.00 0.00 H new ATOM 0 HG22 VAL A 87 0.994 -0.237 -2.594 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -0.717 -0.069 -3.054 1.00 0.00 H new ATOM 1332 N VAL A 88 1.451 -2.616 -4.123 1.00 0.00 N ATOM 1333 CA VAL A 88 2.801 -2.882 -4.660 1.00 0.00 C ATOM 1334 C VAL A 88 3.757 -1.687 -4.499 1.00 0.00 C ATOM 1335 O VAL A 88 3.451 -0.579 -4.933 1.00 0.00 O ATOM 1336 CB VAL A 88 2.791 -3.298 -6.158 1.00 0.00 C ATOM 1337 CG1 VAL A 88 3.955 -4.229 -6.478 1.00 0.00 C ATOM 1338 CG2 VAL A 88 1.480 -3.936 -6.595 1.00 0.00 C ATOM 0 H VAL A 88 0.790 -2.206 -4.783 1.00 0.00 H new ATOM 0 HA VAL A 88 3.163 -3.717 -4.060 1.00 0.00 H new ATOM 0 HB VAL A 88 2.902 -2.373 -6.724 1.00 0.00 H new ATOM 0 HG11 VAL A 88 3.922 -4.503 -7.532 1.00 0.00 H new ATOM 0 HG12 VAL A 88 4.896 -3.722 -6.264 1.00 0.00 H new ATOM 0 HG13 VAL A 88 3.880 -5.128 -5.867 1.00 0.00 H new ATOM 0 HG21 VAL A 88 1.539 -4.203 -7.650 1.00 0.00 H new ATOM 0 HG22 VAL A 88 1.297 -4.833 -6.004 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.664 -3.230 -6.445 1.00 0.00 H new ATOM 1348 N ALA A 89 4.906 -1.947 -3.838 1.00 0.00 N ATOM 1349 CA ALA A 89 5.978 -0.969 -3.621 1.00 0.00 C ATOM 1350 C ALA A 89 7.318 -1.706 -3.598 1.00 0.00 C ATOM 1351 O ALA A 89 7.682 -2.309 -2.583 1.00 0.00 O ATOM 1352 CB ALA A 89 5.756 -0.196 -2.318 1.00 0.00 C ATOM 0 H ALA A 89 5.112 -2.861 -3.435 1.00 0.00 H new ATOM 0 HA ALA A 89 5.977 -0.242 -4.433 1.00 0.00 H new ATOM 0 HB1 ALA A 89 6.564 0.523 -2.179 1.00 0.00 H new ATOM 0 HB2 ALA A 89 4.804 0.333 -2.366 1.00 0.00 H new ATOM 0 HB3 ALA A 89 5.742 -0.892 -1.480 1.00 0.00 H new ATOM 1358 N LEU A 90 8.047 -1.674 -4.719 1.00 0.00 N ATOM 1359 CA LEU A 90 9.330 -2.384 -4.804 1.00 0.00 C ATOM 1360 C LEU A 90 10.454 -1.486 -5.284 1.00 0.00 C ATOM 1361 O LEU A 90 10.218 -0.579 -6.064 1.00 0.00 O ATOM 1362 CB LEU A 90 9.221 -3.639 -5.711 1.00 0.00 C ATOM 1363 CG LEU A 90 8.883 -3.470 -7.226 1.00 0.00 C ATOM 1364 CD1 LEU A 90 8.488 -4.811 -7.820 1.00 0.00 C ATOM 1365 CD2 LEU A 90 7.764 -2.462 -7.496 1.00 0.00 C ATOM 0 H LEU A 90 7.778 -1.174 -5.566 1.00 0.00 H new ATOM 0 HA LEU A 90 9.573 -2.705 -3.791 1.00 0.00 H new ATOM 0 HB2 LEU A 90 10.170 -4.171 -5.646 1.00 0.00 H new ATOM 0 HB3 LEU A 90 8.461 -4.289 -5.278 1.00 0.00 H new ATOM 0 HG LEU A 90 9.787 -3.082 -7.696 1.00 0.00 H new ATOM 0 HD11 LEU A 90 8.253 -4.686 -8.877 1.00 0.00 H new ATOM 0 HD12 LEU A 90 9.314 -5.514 -7.712 1.00 0.00 H new ATOM 0 HD13 LEU A 90 7.613 -5.197 -7.297 1.00 0.00 H new ATOM 0 HD21 LEU A 90 7.584 -2.397 -8.569 1.00 0.00 H new ATOM 0 HD22 LEU A 90 6.853 -2.787 -6.994 1.00 0.00 H new ATOM 0 HD23 LEU A 90 8.057 -1.483 -7.117 1.00 0.00 H new ATOM 1377 N GLY A 91 11.668 -1.724 -4.767 1.00 0.00 N ATOM 1378 CA GLY A 91 12.843 -0.952 -5.180 1.00 0.00 C ATOM 1379 C GLY A 91 12.906 0.442 -4.574 1.00 0.00 C ATOM 1380 O GLY A 91 12.842 0.595 -3.353 1.00 0.00 O ATOM 0 H GLY A 91 11.859 -2.441 -4.067 1.00 0.00 H new ATOM 0 HA2 GLY A 91 13.743 -1.500 -4.901 1.00 0.00 H new ATOM 0 HA3 GLY A 91 12.846 -0.866 -6.267 1.00 0.00 H new ATOM 1384 N HIS A 92 13.019 1.458 -5.446 1.00 0.00 N ATOM 1385 CA HIS A 92 13.095 2.877 -5.015 1.00 0.00 C ATOM 1386 C HIS A 92 11.759 3.319 -4.425 1.00 0.00 C ATOM 1387 O HIS A 92 10.957 4.014 -5.058 1.00 0.00 O ATOM 1388 CB HIS A 92 13.492 3.785 -6.181 1.00 0.00 C ATOM 1389 CG HIS A 92 13.819 5.199 -5.790 1.00 0.00 C ATOM 1390 ND1 HIS A 92 15.110 5.664 -5.655 1.00 0.00 N ATOM 1391 CD2 HIS A 92 13.011 6.250 -5.510 1.00 0.00 C ATOM 1392 CE1 HIS A 92 15.083 6.939 -5.307 1.00 0.00 C ATOM 1393 NE2 HIS A 92 13.822 7.318 -5.213 1.00 0.00 N ATOM 0 H HIS A 92 13.060 1.329 -6.457 1.00 0.00 H new ATOM 0 HA HIS A 92 13.864 2.961 -4.248 1.00 0.00 H new ATOM 0 HB2 HIS A 92 14.357 3.352 -6.684 1.00 0.00 H new ATOM 0 HB3 HIS A 92 12.678 3.801 -6.905 1.00 0.00 H new ATOM 0 HD2 HIS A 92 11.931 6.248 -5.519 1.00 0.00 H new ATOM 0 HE1 HIS A 92 15.946 7.564 -5.130 1.00 0.00 H new ATOM 0 HE2 HIS A 92 13.502 8.253 -4.961 1.00 0.00 H new ATOM 1402 N THR A 93 11.550 2.880 -3.204 1.00 0.00 N ATOM 1403 CA THR A 93 10.326 3.142 -2.466 1.00 0.00 C ATOM 1404 C THR A 93 10.691 3.676 -1.066 1.00 0.00 C ATOM 1405 O THR A 93 11.230 2.922 -0.251 1.00 0.00 O ATOM 1406 CB THR A 93 9.468 1.839 -2.403 1.00 0.00 C ATOM 1407 OG1 THR A 93 10.091 0.865 -1.552 1.00 0.00 O ATOM 1408 CG2 THR A 93 9.311 1.248 -3.808 1.00 0.00 C ATOM 0 H THR A 93 12.231 2.324 -2.686 1.00 0.00 H new ATOM 0 HA THR A 93 9.725 3.901 -2.966 1.00 0.00 H new ATOM 0 HB THR A 93 8.489 2.094 -1.998 1.00 0.00 H new ATOM 0 HG1 THR A 93 10.633 1.321 -0.875 1.00 0.00 H new ATOM 0 HG21 THR A 93 8.711 0.339 -3.756 1.00 0.00 H new ATOM 0 HG22 THR A 93 8.816 1.973 -4.454 1.00 0.00 H new ATOM 0 HG23 THR A 93 10.294 1.011 -4.215 1.00 0.00 H new ATOM 1416 N PRO A 94 10.418 4.992 -0.764 1.00 0.00 N ATOM 1417 CA PRO A 94 10.791 5.611 0.533 1.00 0.00 C ATOM 1418 C PRO A 94 10.082 5.003 1.755 1.00 0.00 C ATOM 1419 O PRO A 94 9.089 5.544 2.258 1.00 0.00 O ATOM 1420 CB PRO A 94 10.425 7.094 0.347 1.00 0.00 C ATOM 1421 CG PRO A 94 9.402 7.121 -0.734 1.00 0.00 C ATOM 1422 CD PRO A 94 9.723 5.969 -1.647 1.00 0.00 C ATOM 0 HA PRO A 94 11.845 5.443 0.755 1.00 0.00 H new ATOM 0 HB2 PRO A 94 10.031 7.519 1.270 1.00 0.00 H new ATOM 0 HB3 PRO A 94 11.301 7.683 0.073 1.00 0.00 H new ATOM 0 HG2 PRO A 94 8.398 7.022 -0.322 1.00 0.00 H new ATOM 0 HG3 PRO A 94 9.433 8.067 -1.275 1.00 0.00 H new ATOM 0 HD2 PRO A 94 8.820 5.541 -2.082 1.00 0.00 H new ATOM 0 HD3 PRO A 94 10.359 6.281 -2.475 1.00 0.00 H new ATOM 1430 N VAL A 95 10.622 3.865 2.216 1.00 0.00 N ATOM 1431 CA VAL A 95 10.099 3.133 3.383 1.00 0.00 C ATOM 1432 C VAL A 95 11.169 2.211 3.978 1.00 0.00 C ATOM 1433 O VAL A 95 11.322 2.134 5.200 1.00 0.00 O ATOM 1434 CB VAL A 95 8.827 2.286 3.065 1.00 0.00 C ATOM 1435 CG1 VAL A 95 7.580 3.157 3.099 1.00 0.00 C ATOM 1436 CG2 VAL A 95 8.929 1.559 1.719 1.00 0.00 C ATOM 0 H VAL A 95 11.437 3.424 1.790 1.00 0.00 H new ATOM 0 HA VAL A 95 9.817 3.901 4.103 1.00 0.00 H new ATOM 0 HB VAL A 95 8.753 1.524 3.840 1.00 0.00 H new ATOM 0 HG11 VAL A 95 6.704 2.548 2.875 1.00 0.00 H new ATOM 0 HG12 VAL A 95 7.471 3.598 4.090 1.00 0.00 H new ATOM 0 HG13 VAL A 95 7.670 3.950 2.357 1.00 0.00 H new ATOM 0 HG21 VAL A 95 8.019 0.985 1.546 1.00 0.00 H new ATOM 0 HG22 VAL A 95 9.055 2.289 0.920 1.00 0.00 H new ATOM 0 HG23 VAL A 95 9.786 0.886 1.733 1.00 0.00 H new ATOM 1446 N GLY A 96 11.901 1.520 3.092 1.00 0.00 N ATOM 1447 CA GLY A 96 12.949 0.598 3.509 1.00 0.00 C ATOM 1448 C GLY A 96 14.309 1.245 3.614 1.00 0.00 C ATOM 1449 O GLY A 96 14.802 1.840 2.651 1.00 0.00 O ATOM 0 H GLY A 96 11.780 1.588 2.081 1.00 0.00 H new ATOM 0 HA2 GLY A 96 12.683 0.170 4.475 1.00 0.00 H new ATOM 0 HA3 GLY A 96 13.001 -0.227 2.798 1.00 0.00 H new ATOM 1453 N GLY A 97 14.910 1.118 4.803 1.00 0.00 N ATOM 1454 CA GLY A 97 16.244 1.655 5.052 1.00 0.00 C ATOM 1455 C GLY A 97 17.326 0.670 4.635 1.00 0.00 C ATOM 1456 O GLY A 97 18.508 0.854 4.937 1.00 0.00 O ATOM 0 H GLY A 97 14.490 0.647 5.605 1.00 0.00 H new ATOM 0 HA2 GLY A 97 16.370 2.589 4.505 1.00 0.00 H new ATOM 0 HA3 GLY A 97 16.352 1.889 6.111 1.00 0.00 H new ATOM 1460 N ILE A 98 16.884 -0.378 3.932 1.00 0.00 N ATOM 1461 CA ILE A 98 17.737 -1.441 3.419 1.00 0.00 C ATOM 1462 C ILE A 98 18.236 -1.059 2.003 1.00 0.00 C ATOM 1463 O ILE A 98 17.827 -0.023 1.473 1.00 0.00 O ATOM 1464 CB ILE A 98 16.953 -2.818 3.463 1.00 0.00 C ATOM 1465 CG1 ILE A 98 17.566 -3.914 2.572 1.00 0.00 C ATOM 1466 CG2 ILE A 98 15.472 -2.639 3.118 1.00 0.00 C ATOM 1467 CD1 ILE A 98 18.740 -4.639 3.202 1.00 0.00 C ATOM 0 H ILE A 98 15.899 -0.508 3.702 1.00 0.00 H new ATOM 0 HA ILE A 98 18.622 -1.567 4.042 1.00 0.00 H new ATOM 0 HB ILE A 98 17.045 -3.158 4.495 1.00 0.00 H new ATOM 0 HG12 ILE A 98 16.793 -4.642 2.326 1.00 0.00 H new ATOM 0 HG13 ILE A 98 17.891 -3.465 1.634 1.00 0.00 H new ATOM 0 HG21 ILE A 98 14.969 -3.605 3.159 1.00 0.00 H new ATOM 0 HG22 ILE A 98 15.011 -1.959 3.835 1.00 0.00 H new ATOM 0 HG23 ILE A 98 15.380 -2.225 2.114 1.00 0.00 H new ATOM 0 HD11 ILE A 98 19.114 -5.395 2.511 1.00 0.00 H new ATOM 0 HD12 ILE A 98 19.533 -3.924 3.423 1.00 0.00 H new ATOM 0 HD13 ILE A 98 18.418 -5.120 4.126 1.00 0.00 H new ATOM 1479 N PHE A 99 19.141 -1.864 1.421 1.00 0.00 N ATOM 1480 CA PHE A 99 19.671 -1.588 0.080 1.00 0.00 C ATOM 1481 C PHE A 99 19.637 -2.834 -0.818 1.00 0.00 C ATOM 1482 O PHE A 99 20.576 -3.639 -0.834 1.00 0.00 O ATOM 1483 CB PHE A 99 21.103 -1.039 0.175 1.00 0.00 C ATOM 1484 CG PHE A 99 21.192 0.335 0.782 1.00 0.00 C ATOM 1485 CD1 PHE A 99 21.121 1.465 -0.017 1.00 0.00 C ATOM 1486 CD2 PHE A 99 21.346 0.494 2.150 1.00 0.00 C ATOM 1487 CE1 PHE A 99 21.203 2.728 0.537 1.00 0.00 C ATOM 1488 CE2 PHE A 99 21.428 1.755 2.710 1.00 0.00 C ATOM 1489 CZ PHE A 99 21.356 2.873 1.902 1.00 0.00 C ATOM 0 H PHE A 99 19.517 -2.706 1.857 1.00 0.00 H new ATOM 0 HA PHE A 99 19.028 -0.836 -0.378 1.00 0.00 H new ATOM 0 HB2 PHE A 99 21.706 -1.727 0.768 1.00 0.00 H new ATOM 0 HB3 PHE A 99 21.538 -1.013 -0.824 1.00 0.00 H new ATOM 0 HD1 PHE A 99 21.000 1.357 -1.085 1.00 0.00 H new ATOM 0 HD2 PHE A 99 21.403 -0.377 2.786 1.00 0.00 H new ATOM 0 HE1 PHE A 99 21.148 3.601 -0.097 1.00 0.00 H new ATOM 0 HE2 PHE A 99 21.548 1.866 3.778 1.00 0.00 H new ATOM 0 HZ PHE A 99 21.419 3.859 2.337 1.00 0.00 H new ATOM 1499 N ASP A 100 18.522 -2.981 -1.558 1.00 0.00 N ATOM 1500 CA ASP A 100 18.309 -4.079 -2.509 1.00 0.00 C ATOM 1501 C ASP A 100 17.248 -3.687 -3.543 1.00 0.00 C ATOM 1502 O ASP A 100 16.114 -3.399 -3.188 1.00 0.00 O ATOM 1503 CB ASP A 100 17.841 -5.363 -1.791 1.00 0.00 C ATOM 1504 CG ASP A 100 18.950 -6.059 -1.026 1.00 0.00 C ATOM 1505 OD1 ASP A 100 19.139 -5.741 0.167 1.00 0.00 O ATOM 1506 OD2 ASP A 100 19.629 -6.924 -1.619 1.00 0.00 O ATOM 0 H ASP A 100 17.737 -2.331 -1.509 1.00 0.00 H new ATOM 0 HA ASP A 100 19.263 -4.272 -3.000 1.00 0.00 H new ATOM 0 HB2 ASP A 100 17.035 -5.112 -1.101 1.00 0.00 H new ATOM 0 HB3 ASP A 100 17.428 -6.053 -2.527 1.00 0.00 H new ATOM 1511 N LEU A 101 17.604 -3.733 -4.825 1.00 0.00 N ATOM 1512 CA LEU A 101 16.658 -3.410 -5.902 1.00 0.00 C ATOM 1513 C LEU A 101 16.380 -4.661 -6.729 1.00 0.00 C ATOM 1514 O LEU A 101 17.308 -5.308 -7.219 1.00 0.00 O ATOM 1515 CB LEU A 101 17.207 -2.295 -6.801 1.00 0.00 C ATOM 1516 CG LEU A 101 16.318 -1.047 -6.980 1.00 0.00 C ATOM 1517 CD1 LEU A 101 16.270 -0.207 -5.706 1.00 0.00 C ATOM 1518 CD2 LEU A 101 16.842 -0.210 -8.135 1.00 0.00 C ATOM 0 H LEU A 101 18.537 -3.990 -5.147 1.00 0.00 H new ATOM 0 HA LEU A 101 15.730 -3.055 -5.454 1.00 0.00 H new ATOM 0 HB2 LEU A 101 18.167 -1.974 -6.396 1.00 0.00 H new ATOM 0 HB3 LEU A 101 17.402 -2.718 -7.787 1.00 0.00 H new ATOM 0 HG LEU A 101 15.303 -1.380 -7.197 1.00 0.00 H new ATOM 0 HD11 LEU A 101 15.635 0.664 -5.868 1.00 0.00 H new ATOM 0 HD12 LEU A 101 15.864 -0.806 -4.891 1.00 0.00 H new ATOM 0 HD13 LEU A 101 17.277 0.121 -5.448 1.00 0.00 H new ATOM 0 HD21 LEU A 101 16.213 0.671 -8.260 1.00 0.00 H new ATOM 0 HD22 LEU A 101 17.865 0.101 -7.924 1.00 0.00 H new ATOM 0 HD23 LEU A 101 16.824 -0.802 -9.050 1.00 0.00 H new ATOM 1530 N LYS A 102 15.113 -5.068 -6.778 1.00 0.00 N ATOM 1531 CA LYS A 102 14.725 -6.235 -7.563 1.00 0.00 C ATOM 1532 C LYS A 102 14.272 -5.855 -8.977 1.00 0.00 C ATOM 1533 O LYS A 102 13.229 -5.222 -9.169 1.00 0.00 O ATOM 1534 CB LYS A 102 13.662 -7.069 -6.812 1.00 0.00 C ATOM 1535 CG LYS A 102 12.292 -6.401 -6.641 1.00 0.00 C ATOM 1536 CD LYS A 102 11.269 -6.922 -7.651 1.00 0.00 C ATOM 1537 CE LYS A 102 10.187 -7.758 -6.978 1.00 0.00 C ATOM 1538 NZ LYS A 102 10.681 -9.109 -6.589 1.00 0.00 N ATOM 0 H LYS A 102 14.344 -4.611 -6.288 1.00 0.00 H new ATOM 0 HA LYS A 102 15.609 -6.861 -7.688 1.00 0.00 H new ATOM 0 HB2 LYS A 102 13.523 -8.010 -7.344 1.00 0.00 H new ATOM 0 HB3 LYS A 102 14.051 -7.315 -5.824 1.00 0.00 H new ATOM 0 HG2 LYS A 102 11.926 -6.579 -5.630 1.00 0.00 H new ATOM 0 HG3 LYS A 102 12.398 -5.322 -6.756 1.00 0.00 H new ATOM 0 HD2 LYS A 102 10.809 -6.081 -8.170 1.00 0.00 H new ATOM 0 HD3 LYS A 102 11.776 -7.523 -8.406 1.00 0.00 H new ATOM 0 HE2 LYS A 102 9.825 -7.236 -6.092 1.00 0.00 H new ATOM 0 HE3 LYS A 102 9.339 -7.864 -7.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 10.097 -9.837 -7.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 11.670 -9.217 -6.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 10.621 -9.216 -5.556 1.00 0.00 H new ATOM 1552 N VAL A 103 15.105 -6.214 -9.959 1.00 0.00 N ATOM 1553 CA VAL A 103 14.811 -5.951 -11.369 1.00 0.00 C ATOM 1554 C VAL A 103 15.324 -7.128 -12.226 1.00 0.00 C ATOM 1555 O VAL A 103 16.464 -7.116 -12.709 1.00 0.00 O ATOM 1556 CB VAL A 103 15.416 -4.595 -11.880 1.00 0.00 C ATOM 1557 CG1 VAL A 103 14.991 -4.300 -13.320 1.00 0.00 C ATOM 1558 CG2 VAL A 103 15.008 -3.427 -10.984 1.00 0.00 C ATOM 0 H VAL A 103 15.993 -6.690 -9.800 1.00 0.00 H new ATOM 0 HA VAL A 103 13.729 -5.858 -11.466 1.00 0.00 H new ATOM 0 HB VAL A 103 16.500 -4.704 -11.846 1.00 0.00 H new ATOM 0 HG11 VAL A 103 15.427 -3.354 -13.642 1.00 0.00 H new ATOM 0 HG12 VAL A 103 15.338 -5.101 -13.973 1.00 0.00 H new ATOM 0 HG13 VAL A 103 13.904 -4.235 -13.372 1.00 0.00 H new ATOM 0 HG21 VAL A 103 15.444 -2.505 -11.367 1.00 0.00 H new ATOM 0 HG22 VAL A 103 13.922 -3.338 -10.974 1.00 0.00 H new ATOM 0 HG23 VAL A 103 15.366 -3.604 -9.970 1.00 0.00 H new ATOM 1568 N GLY A 104 14.478 -8.165 -12.357 1.00 0.00 N ATOM 1569 CA GLY A 104 14.799 -9.358 -13.155 1.00 0.00 C ATOM 1570 C GLY A 104 16.120 -10.024 -12.804 1.00 0.00 C ATOM 1571 O GLY A 104 16.206 -10.754 -11.814 1.00 0.00 O ATOM 0 H GLY A 104 13.559 -8.199 -11.915 1.00 0.00 H new ATOM 0 HA2 GLY A 104 13.997 -10.086 -13.032 1.00 0.00 H new ATOM 0 HA3 GLY A 104 14.818 -9.079 -14.208 1.00 0.00 H new ATOM 1575 N SER A 105 17.149 -9.769 -13.631 1.00 0.00 N ATOM 1576 CA SER A 105 18.494 -10.327 -13.411 1.00 0.00 C ATOM 1577 C SER A 105 19.220 -9.552 -12.295 1.00 0.00 C ATOM 1578 O SER A 105 20.427 -9.704 -12.074 1.00 0.00 O ATOM 1579 CB SER A 105 19.300 -10.282 -14.717 1.00 0.00 C ATOM 1580 OG SER A 105 20.529 -10.977 -14.589 1.00 0.00 O ATOM 0 H SER A 105 17.074 -9.179 -14.459 1.00 0.00 H new ATOM 0 HA SER A 105 18.399 -11.366 -13.097 1.00 0.00 H new ATOM 0 HB2 SER A 105 18.714 -10.722 -15.524 1.00 0.00 H new ATOM 0 HB3 SER A 105 19.493 -9.245 -14.992 1.00 0.00 H new ATOM 0 HG SER A 105 20.919 -10.792 -13.709 1.00 0.00 H new ATOM 1586 N THR A 106 18.430 -8.739 -11.596 1.00 0.00 N ATOM 1587 CA THR A 106 18.873 -7.910 -10.486 1.00 0.00 C ATOM 1588 C THR A 106 17.807 -7.997 -9.394 1.00 0.00 C ATOM 1589 O THR A 106 17.592 -7.061 -8.627 1.00 0.00 O ATOM 1590 CB THR A 106 19.026 -6.439 -10.936 1.00 0.00 C ATOM 1591 OG1 THR A 106 19.467 -6.378 -12.295 1.00 0.00 O ATOM 1592 CG2 THR A 106 20.006 -5.675 -10.049 1.00 0.00 C ATOM 0 H THR A 106 17.435 -8.639 -11.796 1.00 0.00 H new ATOM 0 HA THR A 106 19.840 -8.258 -10.122 1.00 0.00 H new ATOM 0 HB THR A 106 18.047 -5.969 -10.846 1.00 0.00 H new ATOM 0 HG1 THR A 106 18.713 -6.565 -12.892 1.00 0.00 H new ATOM 0 HG21 THR A 106 20.086 -4.645 -10.398 1.00 0.00 H new ATOM 0 HG22 THR A 106 19.647 -5.683 -9.020 1.00 0.00 H new ATOM 0 HG23 THR A 106 20.986 -6.151 -10.095 1.00 0.00 H new ATOM 1600 N LYS A 107 17.155 -9.159 -9.340 1.00 0.00 N ATOM 1601 CA LYS A 107 16.060 -9.423 -8.416 1.00 0.00 C ATOM 1602 C LYS A 107 16.511 -9.507 -6.936 1.00 0.00 C ATOM 1603 O LYS A 107 16.817 -10.587 -6.417 1.00 0.00 O ATOM 1604 CB LYS A 107 15.342 -10.698 -8.893 1.00 0.00 C ATOM 1605 CG LYS A 107 13.913 -10.861 -8.376 1.00 0.00 C ATOM 1606 CD LYS A 107 13.054 -11.685 -9.332 1.00 0.00 C ATOM 1607 CE LYS A 107 12.161 -10.798 -10.194 1.00 0.00 C ATOM 1608 NZ LYS A 107 11.041 -10.198 -9.414 1.00 0.00 N ATOM 0 H LYS A 107 17.378 -9.950 -9.945 1.00 0.00 H new ATOM 0 HA LYS A 107 15.368 -8.581 -8.429 1.00 0.00 H new ATOM 0 HB2 LYS A 107 15.321 -10.700 -9.983 1.00 0.00 H new ATOM 0 HB3 LYS A 107 15.926 -11.564 -8.583 1.00 0.00 H new ATOM 0 HG2 LYS A 107 13.933 -11.343 -7.398 1.00 0.00 H new ATOM 0 HG3 LYS A 107 13.462 -9.878 -8.238 1.00 0.00 H new ATOM 0 HD2 LYS A 107 13.698 -12.286 -9.974 1.00 0.00 H new ATOM 0 HD3 LYS A 107 12.436 -12.378 -8.761 1.00 0.00 H new ATOM 0 HE2 LYS A 107 12.761 -10.002 -10.636 1.00 0.00 H new ATOM 0 HE3 LYS A 107 11.754 -11.386 -11.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 10.228 -10.036 -10.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 10.764 -10.846 -8.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 11.349 -9.292 -9.005 1.00 0.00 H new ATOM 1622 N HIS A 108 16.564 -8.326 -6.285 1.00 0.00 N ATOM 1623 CA HIS A 108 16.913 -8.202 -4.862 1.00 0.00 C ATOM 1624 C HIS A 108 16.065 -7.070 -4.292 1.00 0.00 C ATOM 1625 O HIS A 108 16.353 -5.919 -4.521 1.00 0.00 O ATOM 1626 CB HIS A 108 18.412 -7.909 -4.645 1.00 0.00 C ATOM 1627 CG HIS A 108 19.341 -8.862 -5.343 1.00 0.00 C ATOM 1628 ND1 HIS A 108 19.281 -10.231 -5.185 1.00 0.00 N ATOM 1629 CD2 HIS A 108 20.342 -8.631 -6.225 1.00 0.00 C ATOM 1630 CE1 HIS A 108 20.205 -10.800 -5.941 1.00 0.00 C ATOM 1631 NE2 HIS A 108 20.862 -9.851 -6.581 1.00 0.00 N ATOM 0 H HIS A 108 16.365 -7.433 -6.736 1.00 0.00 H new ATOM 0 HA HIS A 108 16.714 -9.147 -4.357 1.00 0.00 H new ATOM 0 HB2 HIS A 108 18.625 -6.897 -4.989 1.00 0.00 H new ATOM 0 HB3 HIS A 108 18.623 -7.933 -3.576 1.00 0.00 H new ATOM 0 HD2 HIS A 108 20.671 -7.666 -6.582 1.00 0.00 H new ATOM 0 HE1 HIS A 108 20.390 -11.861 -6.021 1.00 0.00 H new ATOM 0 HE2 HIS A 108 21.631 -10.000 -7.234 1.00 0.00 H new ATOM 1640 N THR A 109 15.035 -7.401 -3.535 1.00 0.00 N ATOM 1641 CA THR A 109 14.099 -6.387 -3.027 1.00 0.00 C ATOM 1642 C THR A 109 14.380 -5.871 -1.616 1.00 0.00 C ATOM 1643 O THR A 109 14.601 -6.639 -0.682 1.00 0.00 O ATOM 1644 CB THR A 109 12.645 -6.924 -3.054 1.00 0.00 C ATOM 1645 OG1 THR A 109 12.487 -7.911 -4.079 1.00 0.00 O ATOM 1646 CG2 THR A 109 11.624 -5.802 -3.265 1.00 0.00 C ATOM 0 H THR A 109 14.817 -8.357 -3.254 1.00 0.00 H new ATOM 0 HA THR A 109 14.241 -5.544 -3.703 1.00 0.00 H new ATOM 0 HB THR A 109 12.458 -7.377 -2.081 1.00 0.00 H new ATOM 0 HG1 THR A 109 11.563 -8.238 -4.078 1.00 0.00 H new ATOM 0 HG21 THR A 109 10.619 -6.223 -3.277 1.00 0.00 H new ATOM 0 HG22 THR A 109 11.705 -5.079 -2.453 1.00 0.00 H new ATOM 0 HG23 THR A 109 11.821 -5.305 -4.215 1.00 0.00 H new ATOM 1654 N LEU A 110 14.373 -4.534 -1.511 1.00 0.00 N ATOM 1655 CA LEU A 110 14.507 -3.830 -0.236 1.00 0.00 C ATOM 1656 C LEU A 110 13.130 -3.217 0.121 1.00 0.00 C ATOM 1657 O LEU A 110 12.770 -2.146 -0.378 1.00 0.00 O ATOM 1658 CB LEU A 110 15.628 -2.739 -0.350 1.00 0.00 C ATOM 1659 CG LEU A 110 15.264 -1.348 -0.962 1.00 0.00 C ATOM 1660 CD1 LEU A 110 16.487 -0.456 -1.044 1.00 0.00 C ATOM 1661 CD2 LEU A 110 14.649 -1.463 -2.351 1.00 0.00 C ATOM 0 H LEU A 110 14.274 -3.912 -2.313 1.00 0.00 H new ATOM 0 HA LEU A 110 14.804 -4.511 0.561 1.00 0.00 H new ATOM 0 HB2 LEU A 110 16.023 -2.566 0.651 1.00 0.00 H new ATOM 0 HB3 LEU A 110 16.439 -3.160 -0.945 1.00 0.00 H new ATOM 0 HG LEU A 110 14.524 -0.909 -0.293 1.00 0.00 H new ATOM 0 HD11 LEU A 110 16.207 0.506 -1.473 1.00 0.00 H new ATOM 0 HD12 LEU A 110 16.893 -0.303 -0.044 1.00 0.00 H new ATOM 0 HD13 LEU A 110 17.241 -0.929 -1.674 1.00 0.00 H new ATOM 0 HD21 LEU A 110 14.415 -0.468 -2.729 1.00 0.00 H new ATOM 0 HD22 LEU A 110 15.356 -1.950 -3.023 1.00 0.00 H new ATOM 0 HD23 LEU A 110 13.735 -2.054 -2.296 1.00 0.00 H new ATOM 1673 N GLN A 111 12.325 -3.893 0.952 1.00 0.00 N ATOM 1674 CA GLN A 111 11.011 -3.335 1.291 1.00 0.00 C ATOM 1675 C GLN A 111 10.616 -3.623 2.743 1.00 0.00 C ATOM 1676 O GLN A 111 10.052 -4.673 3.063 1.00 0.00 O ATOM 1677 CB GLN A 111 9.965 -3.883 0.294 1.00 0.00 C ATOM 1678 CG GLN A 111 8.633 -3.136 0.270 1.00 0.00 C ATOM 1679 CD GLN A 111 7.477 -3.990 -0.238 1.00 0.00 C ATOM 1680 OE1 GLN A 111 6.279 -3.721 0.267 1.00 0.00 O flip ATOM 1681 NE2 GLN A 111 7.653 -4.877 -1.079 1.00 0.00 N flip ATOM 0 H GLN A 111 12.547 -4.789 1.386 1.00 0.00 H new ATOM 0 HA GLN A 111 11.057 -2.249 1.207 1.00 0.00 H new ATOM 0 HB2 GLN A 111 10.394 -3.859 -0.708 1.00 0.00 H new ATOM 0 HB3 GLN A 111 9.772 -4.929 0.533 1.00 0.00 H new ATOM 0 HG2 GLN A 111 8.402 -2.784 1.276 1.00 0.00 H new ATOM 0 HG3 GLN A 111 8.730 -2.253 -0.362 1.00 0.00 H new ATOM 0 HE21 GLN A 111 8.589 -5.055 -1.444 1.00 0.00 H new ATOM 0 HE22 GLN A 111 6.863 -5.432 -1.408 1.00 0.00 H new ATOM 1690 N ALA A 112 10.938 -2.660 3.605 1.00 0.00 N ATOM 1691 CA ALA A 112 10.605 -2.719 5.027 1.00 0.00 C ATOM 1692 C ALA A 112 9.598 -1.635 5.394 1.00 0.00 C ATOM 1693 O ALA A 112 9.932 -0.444 5.376 1.00 0.00 O ATOM 1694 CB ALA A 112 11.863 -2.619 5.882 1.00 0.00 C ATOM 0 H ALA A 112 11.439 -1.814 3.335 1.00 0.00 H new ATOM 0 HA ALA A 112 10.141 -3.684 5.229 1.00 0.00 H new ATOM 0 HB1 ALA A 112 11.591 -2.665 6.936 1.00 0.00 H new ATOM 0 HB2 ALA A 112 12.532 -3.446 5.643 1.00 0.00 H new ATOM 0 HB3 ALA A 112 12.367 -1.674 5.678 1.00 0.00 H new ATOM 1700 N ILE A 113 8.367 -2.039 5.709 1.00 0.00 N ATOM 1701 CA ILE A 113 7.337 -1.073 6.093 1.00 0.00 C ATOM 1702 C ILE A 113 6.797 -1.350 7.491 1.00 0.00 C ATOM 1703 O ILE A 113 7.065 -0.575 8.415 1.00 0.00 O ATOM 1704 CB ILE A 113 6.125 -0.979 5.110 1.00 0.00 C ATOM 1705 CG1 ILE A 113 5.893 -2.262 4.290 1.00 0.00 C ATOM 1706 CG2 ILE A 113 6.238 0.216 4.192 1.00 0.00 C ATOM 1707 CD1 ILE A 113 6.846 -2.475 3.128 1.00 0.00 C ATOM 0 H ILE A 113 8.062 -3.012 5.707 1.00 0.00 H new ATOM 0 HA ILE A 113 7.858 -0.116 6.061 1.00 0.00 H new ATOM 0 HB ILE A 113 5.251 -0.851 5.749 1.00 0.00 H new ATOM 0 HG12 ILE A 113 5.967 -3.119 4.960 1.00 0.00 H new ATOM 0 HG13 ILE A 113 4.874 -2.246 3.904 1.00 0.00 H new ATOM 0 HG21 ILE A 113 5.376 0.245 3.525 1.00 0.00 H new ATOM 0 HG22 ILE A 113 6.268 1.129 4.786 1.00 0.00 H new ATOM 0 HG23 ILE A 113 7.151 0.137 3.602 1.00 0.00 H new ATOM 0 HD11 ILE A 113 6.596 -3.405 2.618 1.00 0.00 H new ATOM 0 HD12 ILE A 113 6.759 -1.643 2.429 1.00 0.00 H new ATOM 0 HD13 ILE A 113 7.869 -2.530 3.501 1.00 0.00 H new ATOM 1719 N GLU A 114 6.040 -2.458 7.656 1.00 0.00 N ATOM 1720 CA GLU A 114 5.426 -2.790 8.964 1.00 0.00 C ATOM 1721 C GLU A 114 4.828 -4.208 8.913 1.00 0.00 C ATOM 1722 O GLU A 114 5.086 -4.938 7.967 1.00 0.00 O ATOM 1723 CB GLU A 114 4.357 -1.683 9.268 1.00 0.00 C ATOM 1724 CG GLU A 114 3.195 -2.045 10.200 1.00 0.00 C ATOM 1725 CD GLU A 114 3.553 -1.920 11.667 1.00 0.00 C ATOM 1726 OE1 GLU A 114 4.139 -2.875 12.219 1.00 0.00 O ATOM 1727 OE2 GLU A 114 3.246 -0.867 12.265 1.00 0.00 O ATOM 0 H GLU A 114 5.841 -3.129 6.914 1.00 0.00 H new ATOM 0 HA GLU A 114 6.159 -2.800 9.771 1.00 0.00 H new ATOM 0 HB2 GLU A 114 4.876 -0.826 9.698 1.00 0.00 H new ATOM 0 HB3 GLU A 114 3.934 -1.356 8.318 1.00 0.00 H new ATOM 0 HG2 GLU A 114 2.346 -1.397 9.982 1.00 0.00 H new ATOM 0 HG3 GLU A 114 2.877 -3.067 9.995 1.00 0.00 H new ATOM 1734 N THR A 115 4.135 -4.633 9.978 1.00 0.00 N ATOM 1735 CA THR A 115 3.448 -5.916 9.961 1.00 0.00 C ATOM 1736 C THR A 115 1.955 -5.660 10.230 1.00 0.00 C ATOM 1737 O THR A 115 1.457 -5.843 11.348 1.00 0.00 O ATOM 1738 CB THR A 115 4.042 -6.903 11.005 1.00 0.00 C ATOM 1739 OG1 THR A 115 5.464 -6.742 11.082 1.00 0.00 O ATOM 1740 CG2 THR A 115 3.726 -8.352 10.645 1.00 0.00 C ATOM 0 H THR A 115 4.040 -4.109 10.848 1.00 0.00 H new ATOM 0 HA THR A 115 3.580 -6.385 8.986 1.00 0.00 H new ATOM 0 HB THR A 115 3.587 -6.675 11.969 1.00 0.00 H new ATOM 0 HG1 THR A 115 5.829 -7.367 11.743 1.00 0.00 H new ATOM 0 HG21 THR A 115 4.156 -9.015 11.395 1.00 0.00 H new ATOM 0 HG22 THR A 115 2.645 -8.492 10.613 1.00 0.00 H new ATOM 0 HG23 THR A 115 4.151 -8.585 9.669 1.00 0.00 H new ATOM 1748 N ARG A 116 1.263 -5.208 9.172 1.00 0.00 N ATOM 1749 CA ARG A 116 -0.173 -4.914 9.216 1.00 0.00 C ATOM 1750 C ARG A 116 -0.861 -5.484 7.993 1.00 0.00 C ATOM 1751 O ARG A 116 -0.471 -5.163 6.877 1.00 0.00 O ATOM 1752 CB ARG A 116 -0.415 -3.397 9.322 1.00 0.00 C ATOM 1753 CG ARG A 116 -1.660 -3.010 10.124 1.00 0.00 C ATOM 1754 CD ARG A 116 -1.393 -2.954 11.627 1.00 0.00 C ATOM 1755 NE ARG A 116 -1.210 -4.289 12.213 1.00 0.00 N ATOM 1756 CZ ARG A 116 -0.795 -4.523 13.466 1.00 0.00 C ATOM 1757 NH1 ARG A 116 -0.509 -3.521 14.296 1.00 0.00 N ATOM 1758 NH2 ARG A 116 -0.665 -5.773 13.890 1.00 0.00 N ATOM 0 H ARG A 116 1.688 -5.037 8.261 1.00 0.00 H new ATOM 0 HA ARG A 116 -0.597 -5.385 10.103 1.00 0.00 H new ATOM 0 HB2 ARG A 116 0.457 -2.933 9.782 1.00 0.00 H new ATOM 0 HB3 ARG A 116 -0.502 -2.984 8.317 1.00 0.00 H new ATOM 0 HG2 ARG A 116 -2.019 -2.038 9.785 1.00 0.00 H new ATOM 0 HG3 ARG A 116 -2.454 -3.730 9.926 1.00 0.00 H new ATOM 0 HD2 ARG A 116 -0.503 -2.353 11.813 1.00 0.00 H new ATOM 0 HD3 ARG A 116 -2.225 -2.453 12.123 1.00 0.00 H new ATOM 0 HE ARG A 116 -1.414 -5.096 11.624 1.00 0.00 H new ATOM 0 HH11 ARG A 116 -0.604 -2.555 13.982 1.00 0.00 H new ATOM 0 HH12 ARG A 116 -0.195 -3.719 15.246 1.00 0.00 H new ATOM 0 HH21 ARG A 116 -0.880 -6.549 13.264 1.00 0.00 H new ATOM 0 HH22 ARG A 116 -0.350 -5.958 14.842 1.00 0.00 H new ATOM 1772 N VAL A 117 -1.862 -6.338 8.215 1.00 0.00 N ATOM 1773 CA VAL A 117 -2.607 -6.977 7.136 1.00 0.00 C ATOM 1774 C VAL A 117 -4.130 -6.804 7.321 1.00 0.00 C ATOM 1775 O VAL A 117 -4.756 -7.619 8.013 1.00 0.00 O ATOM 1776 CB VAL A 117 -2.248 -8.502 7.062 1.00 0.00 C ATOM 1777 CG1 VAL A 117 -2.906 -9.175 5.871 1.00 0.00 C ATOM 1778 CG2 VAL A 117 -0.738 -8.731 7.016 1.00 0.00 C ATOM 0 H VAL A 117 -2.176 -6.604 9.148 1.00 0.00 H new ATOM 0 HA VAL A 117 -2.323 -6.492 6.202 1.00 0.00 H new ATOM 0 HB VAL A 117 -2.636 -8.953 7.975 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -2.634 -10.230 5.853 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -3.989 -9.081 5.952 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -2.568 -8.698 4.951 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -0.534 -9.800 6.965 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -0.322 -8.240 6.136 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -0.280 -8.316 7.914 1.00 0.00 H new ATOM 1788 N LEU A 118 -4.737 -5.746 6.740 1.00 0.00 N ATOM 1789 CA LEU A 118 -6.188 -5.592 6.849 1.00 0.00 C ATOM 1790 C LEU A 118 -6.849 -5.903 5.505 1.00 0.00 C ATOM 1791 O LEU A 118 -6.559 -5.252 4.498 1.00 0.00 O ATOM 1792 CB LEU A 118 -6.572 -4.185 7.348 1.00 0.00 C ATOM 1793 CG LEU A 118 -6.428 -3.894 8.868 1.00 0.00 C ATOM 1794 CD1 LEU A 118 -7.179 -4.912 9.725 1.00 0.00 C ATOM 1795 CD2 LEU A 118 -4.960 -3.826 9.282 1.00 0.00 C ATOM 0 H LEU A 118 -4.259 -5.016 6.212 1.00 0.00 H new ATOM 0 HA LEU A 118 -6.553 -6.303 7.590 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -5.963 -3.460 6.808 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -7.609 -4.001 7.068 1.00 0.00 H new ATOM 0 HG LEU A 118 -6.883 -2.919 9.044 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -7.049 -4.667 10.779 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -8.240 -4.886 9.475 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -6.785 -5.910 9.533 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -4.892 -3.621 10.350 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -4.476 -4.778 9.064 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -4.462 -3.030 8.728 1.00 0.00 H new ATOM 1807 N ALA A 119 -7.739 -6.918 5.506 1.00 0.00 N ATOM 1808 CA ALA A 119 -8.453 -7.383 4.295 1.00 0.00 C ATOM 1809 C ALA A 119 -9.196 -6.260 3.565 1.00 0.00 C ATOM 1810 O ALA A 119 -10.208 -5.745 4.057 1.00 0.00 O ATOM 1811 CB ALA A 119 -9.414 -8.508 4.662 1.00 0.00 C ATOM 0 H ALA A 119 -7.984 -7.440 6.347 1.00 0.00 H new ATOM 0 HA ALA A 119 -7.698 -7.752 3.601 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -9.937 -8.846 3.767 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -8.854 -9.339 5.091 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -10.139 -8.144 5.390 1.00 0.00 H new ATOM 1817 N GLY A 120 -8.666 -5.875 2.389 1.00 0.00 N ATOM 1818 CA GLY A 120 -9.269 -4.818 1.600 1.00 0.00 C ATOM 1819 C GLY A 120 -8.760 -3.451 2.007 1.00 0.00 C ATOM 1820 O GLY A 120 -9.025 -2.449 1.340 1.00 0.00 O ATOM 0 H GLY A 120 -7.827 -6.285 1.978 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -9.055 -4.986 0.544 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -10.352 -4.851 1.715 1.00 0.00 H new ATOM 1824 N SER A 121 -8.038 -3.430 3.123 1.00 0.00 N ATOM 1825 CA SER A 121 -7.446 -2.231 3.650 1.00 0.00 C ATOM 1826 C SER A 121 -5.925 -2.342 3.537 1.00 0.00 C ATOM 1827 O SER A 121 -5.413 -3.251 2.873 1.00 0.00 O ATOM 1828 CB SER A 121 -7.932 -1.931 5.078 1.00 0.00 C ATOM 1829 OG SER A 121 -7.644 -0.589 5.424 1.00 0.00 O ATOM 0 H SER A 121 -7.852 -4.261 3.685 1.00 0.00 H new ATOM 0 HA SER A 121 -7.768 -1.372 3.061 1.00 0.00 H new ATOM 0 HB2 SER A 121 -9.005 -2.110 5.149 1.00 0.00 H new ATOM 0 HB3 SER A 121 -7.449 -2.607 5.783 1.00 0.00 H new ATOM 0 HG SER A 121 -7.313 -0.112 4.635 1.00 0.00 H new ATOM 1835 N LYS A 122 -5.209 -1.426 4.177 1.00 0.00 N ATOM 1836 CA LYS A 122 -3.757 -1.350 4.079 1.00 0.00 C ATOM 1837 C LYS A 122 -3.036 -2.533 4.714 1.00 0.00 C ATOM 1838 O LYS A 122 -3.518 -3.160 5.674 1.00 0.00 O ATOM 1839 CB LYS A 122 -3.269 -0.033 4.686 1.00 0.00 C ATOM 1840 CG LYS A 122 -3.755 1.190 3.904 1.00 0.00 C ATOM 1841 CD LYS A 122 -2.706 1.733 2.924 1.00 0.00 C ATOM 1842 CE LYS A 122 -2.549 0.867 1.672 1.00 0.00 C ATOM 1843 NZ LYS A 122 -1.680 -0.317 1.923 1.00 0.00 N ATOM 0 H LYS A 122 -5.620 -0.713 4.780 1.00 0.00 H new ATOM 0 HA LYS A 122 -3.511 -1.389 3.018 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -3.615 0.038 5.717 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -2.179 -0.032 4.715 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -4.657 0.926 3.352 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -4.030 1.977 4.606 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -2.984 2.744 2.627 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -1.745 1.804 3.433 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -3.531 0.533 1.336 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -2.123 1.466 0.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -1.884 -1.053 1.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -0.681 -0.036 1.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -1.867 -0.689 2.876 1.00 0.00 H new ATOM 1857 N MET A 123 -1.893 -2.849 4.105 1.00 0.00 N ATOM 1858 CA MET A 123 -1.020 -3.917 4.553 1.00 0.00 C ATOM 1859 C MET A 123 0.430 -3.538 4.299 1.00 0.00 C ATOM 1860 O MET A 123 0.836 -3.299 3.155 1.00 0.00 O ATOM 1861 CB MET A 123 -1.351 -5.257 3.869 1.00 0.00 C ATOM 1862 CG MET A 123 -0.505 -6.437 4.366 1.00 0.00 C ATOM 1863 SD MET A 123 1.111 -6.575 3.563 1.00 0.00 S ATOM 1864 CE MET A 123 0.668 -7.092 1.907 1.00 0.00 C ATOM 0 H MET A 123 -1.550 -2.361 3.278 1.00 0.00 H new ATOM 0 HA MET A 123 -1.179 -4.052 5.623 1.00 0.00 H new ATOM 0 HB2 MET A 123 -2.405 -5.485 4.030 1.00 0.00 H new ATOM 0 HB3 MET A 123 -1.209 -5.149 2.794 1.00 0.00 H new ATOM 0 HG2 MET A 123 -0.357 -6.337 5.441 1.00 0.00 H new ATOM 0 HG3 MET A 123 -1.059 -7.362 4.205 1.00 0.00 H new ATOM 0 HE1 MET A 123 1.527 -7.565 1.431 1.00 0.00 H new ATOM 0 HE2 MET A 123 -0.156 -7.804 1.956 1.00 0.00 H new ATOM 0 HE3 MET A 123 0.363 -6.223 1.324 1.00 0.00 H new ATOM 1874 N THR A 124 1.189 -3.479 5.381 1.00 0.00 N ATOM 1875 CA THR A 124 2.602 -3.169 5.318 1.00 0.00 C ATOM 1876 C THR A 124 3.388 -4.375 5.793 1.00 0.00 C ATOM 1877 O THR A 124 2.984 -5.030 6.759 1.00 0.00 O ATOM 1878 CB THR A 124 2.936 -1.940 6.170 1.00 0.00 C ATOM 1879 OG1 THR A 124 2.108 -1.919 7.339 1.00 0.00 O ATOM 1880 CG2 THR A 124 2.728 -0.655 5.380 1.00 0.00 C ATOM 0 H THR A 124 0.840 -3.645 6.325 1.00 0.00 H new ATOM 0 HA THR A 124 2.872 -2.935 4.288 1.00 0.00 H new ATOM 0 HB THR A 124 3.984 -2.004 6.461 1.00 0.00 H new ATOM 0 HG1 THR A 124 1.955 -0.991 7.615 1.00 0.00 H new ATOM 0 HG21 THR A 124 2.972 0.202 6.008 1.00 0.00 H new ATOM 0 HG22 THR A 124 3.375 -0.658 4.503 1.00 0.00 H new ATOM 0 HG23 THR A 124 1.687 -0.587 5.063 1.00 0.00 H new ATOM 1888 N VAL A 125 4.477 -4.700 5.088 1.00 0.00 N ATOM 1889 CA VAL A 125 5.287 -5.875 5.433 1.00 0.00 C ATOM 1890 C VAL A 125 6.801 -5.597 5.469 1.00 0.00 C ATOM 1891 O VAL A 125 7.288 -4.666 4.838 1.00 0.00 O ATOM 1892 CB VAL A 125 4.936 -7.050 4.478 1.00 0.00 C ATOM 1893 CG1 VAL A 125 5.522 -6.873 3.074 1.00 0.00 C ATOM 1894 CG2 VAL A 125 5.328 -8.402 5.072 1.00 0.00 C ATOM 0 H VAL A 125 4.816 -4.173 4.283 1.00 0.00 H new ATOM 0 HA VAL A 125 5.032 -6.153 6.456 1.00 0.00 H new ATOM 0 HB VAL A 125 3.852 -7.033 4.370 1.00 0.00 H new ATOM 0 HG11 VAL A 125 5.243 -7.725 2.453 1.00 0.00 H new ATOM 0 HG12 VAL A 125 5.132 -5.957 2.630 1.00 0.00 H new ATOM 0 HG13 VAL A 125 6.608 -6.811 3.138 1.00 0.00 H new ATOM 0 HG21 VAL A 125 5.066 -9.196 4.373 1.00 0.00 H new ATOM 0 HG22 VAL A 125 6.402 -8.421 5.256 1.00 0.00 H new ATOM 0 HG23 VAL A 125 4.796 -8.555 6.011 1.00 0.00 H new ATOM 1904 N ALA A 126 7.535 -6.421 6.217 1.00 0.00 N ATOM 1905 CA ALA A 126 8.984 -6.294 6.271 1.00 0.00 C ATOM 1906 C ALA A 126 9.601 -7.440 5.472 1.00 0.00 C ATOM 1907 O ALA A 126 9.594 -8.594 5.918 1.00 0.00 O ATOM 1908 CB ALA A 126 9.476 -6.289 7.715 1.00 0.00 C ATOM 0 H ALA A 126 7.151 -7.175 6.787 1.00 0.00 H new ATOM 0 HA ALA A 126 9.290 -5.345 5.831 1.00 0.00 H new ATOM 0 HB1 ALA A 126 10.562 -6.193 7.729 1.00 0.00 H new ATOM 0 HB2 ALA A 126 9.031 -5.449 8.248 1.00 0.00 H new ATOM 0 HB3 ALA A 126 9.188 -7.221 8.201 1.00 0.00 H new ATOM 1914 N ARG A 127 10.121 -7.118 4.274 1.00 0.00 N ATOM 1915 CA ARG A 127 10.708 -8.134 3.393 1.00 0.00 C ATOM 1916 C ARG A 127 11.879 -7.603 2.562 1.00 0.00 C ATOM 1917 O ARG A 127 11.751 -6.602 1.839 1.00 0.00 O ATOM 1918 CB ARG A 127 9.632 -8.706 2.453 1.00 0.00 C ATOM 1919 CG ARG A 127 9.820 -10.184 2.123 1.00 0.00 C ATOM 1920 CD ARG A 127 8.732 -10.698 1.190 1.00 0.00 C ATOM 1921 NE ARG A 127 7.443 -10.863 1.874 1.00 0.00 N ATOM 1922 CZ ARG A 127 6.310 -11.272 1.283 1.00 0.00 C ATOM 1923 NH1 ARG A 127 6.279 -11.566 -0.016 1.00 0.00 N ATOM 1924 NH2 ARG A 127 5.201 -11.385 2.000 1.00 0.00 N ATOM 0 H ARG A 127 10.145 -6.170 3.899 1.00 0.00 H new ATOM 0 HA ARG A 127 11.100 -8.917 4.042 1.00 0.00 H new ATOM 0 HB2 ARG A 127 8.653 -8.568 2.911 1.00 0.00 H new ATOM 0 HB3 ARG A 127 9.633 -8.134 1.525 1.00 0.00 H new ATOM 0 HG2 ARG A 127 10.796 -10.332 1.660 1.00 0.00 H new ATOM 0 HG3 ARG A 127 9.813 -10.766 3.045 1.00 0.00 H new ATOM 0 HD2 ARG A 127 8.613 -10.004 0.358 1.00 0.00 H new ATOM 0 HD3 ARG A 127 9.041 -11.654 0.767 1.00 0.00 H new ATOM 0 HE ARG A 127 7.406 -10.651 2.871 1.00 0.00 H new ATOM 0 HH11 ARG A 127 7.126 -11.482 -0.578 1.00 0.00 H new ATOM 0 HH12 ARG A 127 5.408 -11.875 -0.448 1.00 0.00 H new ATOM 0 HH21 ARG A 127 5.212 -11.162 2.995 1.00 0.00 H new ATOM 0 HH22 ARG A 127 4.336 -11.695 1.557 1.00 0.00 H new ATOM 1938 N VAL A 128 13.024 -8.270 2.705 1.00 0.00 N ATOM 1939 CA VAL A 128 14.221 -7.953 1.929 1.00 0.00 C ATOM 1940 C VAL A 128 14.683 -9.210 1.176 1.00 0.00 C ATOM 1941 O VAL A 128 15.294 -10.107 1.767 1.00 0.00 O ATOM 1942 CB VAL A 128 15.375 -7.326 2.790 1.00 0.00 C ATOM 1943 CG1 VAL A 128 15.607 -8.082 4.094 1.00 0.00 C ATOM 1944 CG2 VAL A 128 16.680 -7.225 1.999 1.00 0.00 C ATOM 0 H VAL A 128 13.147 -9.042 3.360 1.00 0.00 H new ATOM 0 HA VAL A 128 13.957 -7.177 1.210 1.00 0.00 H new ATOM 0 HB VAL A 128 15.046 -6.319 3.046 1.00 0.00 H new ATOM 0 HG11 VAL A 128 16.415 -7.607 4.651 1.00 0.00 H new ATOM 0 HG12 VAL A 128 14.696 -8.065 4.692 1.00 0.00 H new ATOM 0 HG13 VAL A 128 15.877 -9.115 3.873 1.00 0.00 H new ATOM 0 HG21 VAL A 128 17.454 -6.786 2.629 1.00 0.00 H new ATOM 0 HG22 VAL A 128 16.991 -8.220 1.682 1.00 0.00 H new ATOM 0 HG23 VAL A 128 16.526 -6.596 1.122 1.00 0.00 H new ATOM 1954 N VAL A 129 14.376 -9.264 -0.126 1.00 0.00 N ATOM 1955 CA VAL A 129 14.762 -10.400 -0.973 1.00 0.00 C ATOM 1956 C VAL A 129 16.202 -10.206 -1.457 1.00 0.00 C ATOM 1957 O VAL A 129 16.462 -9.405 -2.357 1.00 0.00 O ATOM 1958 CB VAL A 129 13.795 -10.598 -2.187 1.00 0.00 C ATOM 1959 CG1 VAL A 129 14.033 -11.940 -2.878 1.00 0.00 C ATOM 1960 CG2 VAL A 129 12.333 -10.495 -1.757 1.00 0.00 C ATOM 0 H VAL A 129 13.861 -8.533 -0.617 1.00 0.00 H new ATOM 0 HA VAL A 129 14.692 -11.305 -0.370 1.00 0.00 H new ATOM 0 HB VAL A 129 14.010 -9.798 -2.895 1.00 0.00 H new ATOM 0 HG11 VAL A 129 13.344 -12.045 -3.716 1.00 0.00 H new ATOM 0 HG12 VAL A 129 15.059 -11.984 -3.243 1.00 0.00 H new ATOM 0 HG13 VAL A 129 13.865 -12.750 -2.168 1.00 0.00 H new ATOM 0 HG21 VAL A 129 11.688 -10.637 -2.624 1.00 0.00 H new ATOM 0 HG22 VAL A 129 12.117 -11.263 -1.014 1.00 0.00 H new ATOM 0 HG23 VAL A 129 12.149 -9.511 -1.325 1.00 0.00 H new