USER MOD reduce.3.24.130724 H: found=0, std=0, add=959, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 956 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 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 98 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 1 MET CE :methyl 139:sc= -1.41 (180deg=-4!) USER MOD Set 2.2: A 35 LYS NZ :NH3+ 167:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 166:sc= -0.0749 (180deg=-0.363) USER MOD Single : A 5 MET CE :methyl 146:sc= -0.372 (180deg=-0.717) USER MOD Single : A 8 GLN : amide:sc=-0.00997 K(o=-0.01,f=-1.1) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.105 X(o=-0.1,f=-0.00037) USER MOD Single : A 41 SER OG : rot 130:sc= 0.222 USER MOD Single : A 46 LYS NZ :NH3+ -171:sc= 0.0676 (180deg=-0.0684) USER MOD Single : A 48 LYS NZ :NH3+ -136:sc= -2.28 (180deg=-7.41!) USER MOD Single : A 52 LYS NZ :NH3+ 175:sc= -0.614 (180deg=-0.777) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 ASN :FLIP amide:sc= -0.0078 F(o=-0.57,f=-0.0078) USER MOD Single : A 59 SER OG : rot 30:sc= 0.666 USER MOD Single : A 63 MET CE :methyl 163:sc= -3.64! (180deg=-4.71!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN :FLIP amide:sc= -0.265 F(o=-2.2!,f=-0.27) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot 18:sc= 1.28 USER MOD Single : A 84 GLN : amide:sc= -0.832 X(o=-0.83,f=-0.75) USER MOD Single : A 86 TYR OH : rot -8:sc= -2.16 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.354 3.720 9.538 1.00 0.00 N ATOM 2 CA MET A 1 -15.233 2.892 9.949 1.00 0.00 C ATOM 3 C MET A 1 -14.936 1.813 8.905 1.00 0.00 C ATOM 4 O MET A 1 -14.395 0.759 9.234 1.00 0.00 O ATOM 5 CB MET A 1 -15.551 2.231 11.291 1.00 0.00 C ATOM 6 CG MET A 1 -14.569 2.686 12.373 1.00 0.00 C ATOM 7 SD MET A 1 -14.095 1.298 13.390 1.00 0.00 S ATOM 8 CE MET A 1 -12.340 1.595 13.521 1.00 0.00 C ATOM 0 H1 MET A 1 -16.687 4.280 10.348 1.00 0.00 H new ATOM 0 H2 MET A 1 -16.052 4.360 8.775 1.00 0.00 H new ATOM 0 H3 MET A 1 -17.126 3.114 9.196 1.00 0.00 H new ATOM 0 HA MET A 1 -14.353 3.528 10.047 1.00 0.00 H new ATOM 0 HB2 MET A 1 -16.569 2.480 11.591 1.00 0.00 H new ATOM 0 HB3 MET A 1 -15.506 1.147 11.186 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.686 3.128 11.912 1.00 0.00 H new ATOM 0 HG3 MET A 1 -15.027 3.459 12.989 1.00 0.00 H new ATOM 0 HE1 MET A 1 -12.011 1.391 14.540 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.808 0.941 12.830 1.00 0.00 H new ATOM 0 HE3 MET A 1 -12.127 2.635 13.273 1.00 0.00 H new ATOM 17 N GLU A 2 -15.305 2.114 7.669 1.00 0.00 N ATOM 18 CA GLU A 2 -15.085 1.182 6.575 1.00 0.00 C ATOM 19 C GLU A 2 -14.566 1.924 5.342 1.00 0.00 C ATOM 20 O GLU A 2 -14.807 3.121 5.186 1.00 0.00 O ATOM 21 CB GLU A 2 -16.364 0.407 6.250 1.00 0.00 C ATOM 22 CG GLU A 2 -16.046 -1.041 5.871 1.00 0.00 C ATOM 23 CD GLU A 2 -17.232 -1.695 5.161 1.00 0.00 C ATOM 24 OE1 GLU A 2 -17.988 -0.943 4.509 1.00 0.00 O ATOM 25 OE2 GLU A 2 -17.357 -2.932 5.287 1.00 0.00 O ATOM 0 H GLU A 2 -15.755 2.989 7.400 1.00 0.00 H new ATOM 0 HA GLU A 2 -14.330 0.460 6.885 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -17.032 0.423 7.111 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -16.890 0.894 5.429 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -15.170 -1.067 5.223 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -15.796 -1.609 6.767 1.00 0.00 H new ATOM 32 N TRP A 3 -13.862 1.184 4.498 1.00 0.00 N ATOM 33 CA TRP A 3 -13.307 1.757 3.284 1.00 0.00 C ATOM 34 C TRP A 3 -13.262 0.658 2.220 1.00 0.00 C ATOM 35 O TRP A 3 -12.919 -0.485 2.517 1.00 0.00 O ATOM 36 CB TRP A 3 -11.938 2.386 3.551 1.00 0.00 C ATOM 37 CG TRP A 3 -11.786 2.972 4.956 1.00 0.00 C ATOM 38 CD1 TRP A 3 -11.341 2.360 6.062 1.00 0.00 C ATOM 39 CD2 TRP A 3 -12.098 4.321 5.363 1.00 0.00 C ATOM 40 NE1 TRP A 3 -11.344 3.211 7.147 1.00 0.00 N ATOM 41 CE2 TRP A 3 -11.819 4.442 6.709 1.00 0.00 C ATOM 42 CE3 TRP A 3 -12.600 5.403 4.619 1.00 0.00 C ATOM 43 CZ2 TRP A 3 -12.009 5.628 7.428 1.00 0.00 C ATOM 44 CZ3 TRP A 3 -12.784 6.581 5.352 1.00 0.00 C ATOM 45 CH2 TRP A 3 -12.508 6.720 6.707 1.00 0.00 C ATOM 0 H TRP A 3 -13.663 0.192 4.631 1.00 0.00 H new ATOM 0 HA TRP A 3 -13.935 2.570 2.919 1.00 0.00 H new ATOM 0 HB2 TRP A 3 -11.167 1.631 3.398 1.00 0.00 H new ATOM 0 HB3 TRP A 3 -11.763 3.174 2.819 1.00 0.00 H new ATOM 0 HD1 TRP A 3 -11.020 1.329 6.099 1.00 0.00 H new ATOM 0 HE1 TRP A 3 -11.051 2.980 8.096 1.00 0.00 H new ATOM 0 HE3 TRP A 3 -12.826 5.331 3.565 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 -11.783 5.697 8.482 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 -13.168 7.443 4.827 1.00 0.00 H new ATOM 0 HH2 TRP A 3 -12.677 7.665 7.201 1.00 0.00 H new ATOM 56 N GLU A 4 -13.614 1.044 1.002 1.00 0.00 N ATOM 57 CA GLU A 4 -13.619 0.106 -0.108 1.00 0.00 C ATOM 58 C GLU A 4 -12.594 0.526 -1.163 1.00 0.00 C ATOM 59 O GLU A 4 -12.054 1.630 -1.103 1.00 0.00 O ATOM 60 CB GLU A 4 -15.017 -0.014 -0.718 1.00 0.00 C ATOM 61 CG GLU A 4 -15.490 1.331 -1.273 1.00 0.00 C ATOM 62 CD GLU A 4 -15.594 1.289 -2.799 1.00 0.00 C ATOM 63 OE1 GLU A 4 -16.608 0.742 -3.284 1.00 0.00 O ATOM 64 OE2 GLU A 4 -14.657 1.805 -3.446 1.00 0.00 O ATOM 0 H GLU A 4 -13.898 1.993 0.760 1.00 0.00 H new ATOM 0 HA GLU A 4 -13.338 -0.877 0.271 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -15.007 -0.757 -1.515 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -15.719 -0.367 0.038 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -16.460 1.584 -0.846 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -14.796 2.116 -0.974 1.00 0.00 H new ATOM 71 N MET A 5 -12.357 -0.376 -2.104 1.00 0.00 N ATOM 72 CA MET A 5 -11.407 -0.112 -3.171 1.00 0.00 C ATOM 73 C MET A 5 -11.418 -1.238 -4.206 1.00 0.00 C ATOM 74 O MET A 5 -10.894 -2.322 -3.955 1.00 0.00 O ATOM 75 CB MET A 5 -10.002 0.025 -2.581 1.00 0.00 C ATOM 76 CG MET A 5 -9.465 1.446 -2.766 1.00 0.00 C ATOM 77 SD MET A 5 -8.032 1.697 -1.733 1.00 0.00 S ATOM 78 CE MET A 5 -8.802 2.461 -0.315 1.00 0.00 C ATOM 0 H MET A 5 -12.807 -1.290 -2.150 1.00 0.00 H new ATOM 0 HA MET A 5 -11.695 0.815 -3.667 1.00 0.00 H new ATOM 0 HB2 MET A 5 -10.023 -0.224 -1.520 1.00 0.00 H new ATOM 0 HB3 MET A 5 -9.331 -0.687 -3.062 1.00 0.00 H new ATOM 0 HG2 MET A 5 -9.203 1.611 -3.811 1.00 0.00 H new ATOM 0 HG3 MET A 5 -10.238 2.171 -2.512 1.00 0.00 H new ATOM 0 HE1 MET A 5 -8.279 2.156 0.591 1.00 0.00 H new ATOM 0 HE2 MET A 5 -8.754 3.545 -0.415 1.00 0.00 H new ATOM 0 HE3 MET A 5 -9.844 2.148 -0.255 1.00 0.00 H new ATOM 88 N GLY A 6 -12.021 -0.943 -5.348 1.00 0.00 N ATOM 89 CA GLY A 6 -12.107 -1.917 -6.423 1.00 0.00 C ATOM 90 C GLY A 6 -10.850 -1.885 -7.294 1.00 0.00 C ATOM 91 O GLY A 6 -10.316 -0.815 -7.581 1.00 0.00 O ATOM 0 H GLY A 6 -12.455 -0.043 -5.553 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -12.238 -2.915 -6.005 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -12.984 -1.710 -7.036 1.00 0.00 H new ATOM 95 N LEU A 7 -10.414 -3.072 -7.691 1.00 0.00 N ATOM 96 CA LEU A 7 -9.229 -3.193 -8.524 1.00 0.00 C ATOM 97 C LEU A 7 -9.176 -4.599 -9.125 1.00 0.00 C ATOM 98 O LEU A 7 -10.067 -5.414 -8.888 1.00 0.00 O ATOM 99 CB LEU A 7 -7.976 -2.816 -7.731 1.00 0.00 C ATOM 100 CG LEU A 7 -7.989 -3.175 -6.244 1.00 0.00 C ATOM 101 CD1 LEU A 7 -7.659 -4.654 -6.035 1.00 0.00 C ATOM 102 CD2 LEU A 7 -7.053 -2.261 -5.451 1.00 0.00 C ATOM 0 H LEU A 7 -10.860 -3.958 -7.451 1.00 0.00 H new ATOM 0 HA LEU A 7 -9.275 -2.491 -9.356 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -7.117 -3.302 -8.194 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -7.822 -1.741 -7.823 1.00 0.00 H new ATOM 0 HG LEU A 7 -8.997 -3.013 -5.862 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -7.675 -4.883 -4.970 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -8.398 -5.268 -6.549 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.668 -4.866 -6.437 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -7.081 -2.538 -4.397 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.036 -2.368 -5.827 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.375 -1.226 -5.563 1.00 0.00 H new ATOM 114 N GLN A 8 -8.123 -4.841 -9.892 1.00 0.00 N ATOM 115 CA GLN A 8 -7.942 -6.134 -10.529 1.00 0.00 C ATOM 116 C GLN A 8 -7.577 -7.193 -9.487 1.00 0.00 C ATOM 117 O GLN A 8 -7.051 -6.867 -8.424 1.00 0.00 O ATOM 118 CB GLN A 8 -6.881 -6.059 -11.629 1.00 0.00 C ATOM 119 CG GLN A 8 -7.444 -6.542 -12.967 1.00 0.00 C ATOM 120 CD GLN A 8 -6.435 -6.327 -14.097 1.00 0.00 C ATOM 121 OE1 GLN A 8 -5.629 -5.410 -14.078 1.00 0.00 O ATOM 122 NE2 GLN A 8 -6.522 -7.220 -15.078 1.00 0.00 N ATOM 0 H GLN A 8 -7.386 -4.163 -10.087 1.00 0.00 H new ATOM 0 HA GLN A 8 -8.884 -6.422 -10.996 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -6.527 -5.033 -11.728 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -6.020 -6.668 -11.351 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -7.698 -7.600 -12.898 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -8.366 -6.007 -13.192 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -7.220 -7.963 -15.031 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -5.891 -7.163 -15.877 1.00 0.00 H new ATOM 131 N GLU A 9 -7.872 -8.439 -9.828 1.00 0.00 N ATOM 132 CA GLU A 9 -7.582 -9.548 -8.935 1.00 0.00 C ATOM 133 C GLU A 9 -6.075 -9.656 -8.695 1.00 0.00 C ATOM 134 O GLU A 9 -5.638 -9.918 -7.575 1.00 0.00 O ATOM 135 CB GLU A 9 -8.145 -10.859 -9.487 1.00 0.00 C ATOM 136 CG GLU A 9 -8.510 -11.819 -8.354 1.00 0.00 C ATOM 137 CD GLU A 9 -9.192 -13.076 -8.899 1.00 0.00 C ATOM 138 OE1 GLU A 9 -10.435 -13.036 -9.029 1.00 0.00 O ATOM 139 OE2 GLU A 9 -8.456 -14.048 -9.172 1.00 0.00 O ATOM 0 H GLU A 9 -8.309 -8.705 -10.710 1.00 0.00 H new ATOM 0 HA GLU A 9 -8.070 -9.356 -7.979 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -9.028 -10.653 -10.093 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -7.410 -11.327 -10.142 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -7.611 -12.098 -7.805 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -9.172 -11.319 -7.648 1.00 0.00 H new ATOM 146 N GLU A 10 -5.321 -9.449 -9.765 1.00 0.00 N ATOM 147 CA GLU A 10 -3.872 -9.520 -9.685 1.00 0.00 C ATOM 148 C GLU A 10 -3.355 -8.594 -8.582 1.00 0.00 C ATOM 149 O GLU A 10 -2.395 -8.925 -7.889 1.00 0.00 O ATOM 150 CB GLU A 10 -3.232 -9.179 -11.032 1.00 0.00 C ATOM 151 CG GLU A 10 -3.839 -7.905 -11.622 1.00 0.00 C ATOM 152 CD GLU A 10 -2.947 -7.331 -12.725 1.00 0.00 C ATOM 153 OE1 GLU A 10 -1.758 -7.089 -12.424 1.00 0.00 O ATOM 154 OE2 GLU A 10 -3.475 -7.148 -13.843 1.00 0.00 O ATOM 0 H GLU A 10 -5.687 -9.232 -10.692 1.00 0.00 H new ATOM 0 HA GLU A 10 -3.591 -10.543 -9.435 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -2.157 -9.049 -10.905 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -3.373 -10.008 -11.726 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -4.828 -8.122 -12.026 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -3.972 -7.163 -10.835 1.00 0.00 H new ATOM 161 N PHE A 11 -4.015 -7.452 -8.455 1.00 0.00 N ATOM 162 CA PHE A 11 -3.634 -6.476 -7.448 1.00 0.00 C ATOM 163 C PHE A 11 -4.024 -6.953 -6.047 1.00 0.00 C ATOM 164 O PHE A 11 -3.360 -6.619 -5.067 1.00 0.00 O ATOM 165 CB PHE A 11 -4.395 -5.187 -7.764 1.00 0.00 C ATOM 166 CG PHE A 11 -3.501 -3.952 -7.890 1.00 0.00 C ATOM 167 CD1 PHE A 11 -2.842 -3.476 -6.799 1.00 0.00 C ATOM 168 CD2 PHE A 11 -3.365 -3.330 -9.092 1.00 0.00 C ATOM 169 CE1 PHE A 11 -2.012 -2.330 -6.916 1.00 0.00 C ATOM 170 CE2 PHE A 11 -2.535 -2.184 -9.208 1.00 0.00 C ATOM 171 CZ PHE A 11 -1.876 -1.708 -8.118 1.00 0.00 C ATOM 0 H PHE A 11 -4.811 -7.181 -9.032 1.00 0.00 H new ATOM 0 HA PHE A 11 -2.554 -6.326 -7.465 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -4.945 -5.321 -8.695 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -5.132 -5.011 -6.981 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -2.950 -3.970 -5.845 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -3.888 -3.708 -9.958 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -1.488 -1.952 -6.050 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -2.427 -1.690 -10.162 1.00 0.00 H new ATOM 0 HZ PHE A 11 -1.245 -0.836 -8.207 1.00 0.00 H new ATOM 181 N LEU A 12 -5.098 -7.727 -5.997 1.00 0.00 N ATOM 182 CA LEU A 12 -5.584 -8.254 -4.733 1.00 0.00 C ATOM 183 C LEU A 12 -4.578 -9.271 -4.189 1.00 0.00 C ATOM 184 O LEU A 12 -4.200 -9.211 -3.020 1.00 0.00 O ATOM 185 CB LEU A 12 -6.999 -8.813 -4.894 1.00 0.00 C ATOM 186 CG LEU A 12 -8.122 -7.779 -4.989 1.00 0.00 C ATOM 187 CD1 LEU A 12 -9.447 -8.442 -5.370 1.00 0.00 C ATOM 188 CD2 LEU A 12 -8.236 -6.972 -3.694 1.00 0.00 C ATOM 0 H LEU A 12 -5.646 -8.002 -6.812 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.664 -7.457 -3.993 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -7.024 -9.431 -5.792 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -7.207 -9.470 -4.049 1.00 0.00 H new ATOM 0 HG LEU A 12 -7.873 -7.077 -5.785 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -10.229 -7.685 -5.431 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -9.343 -8.934 -6.337 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -9.715 -9.180 -4.614 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -9.042 -6.244 -3.789 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -8.450 -7.645 -2.864 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -7.297 -6.451 -3.506 1.00 0.00 H new ATOM 200 N GLU A 13 -4.174 -10.181 -5.063 1.00 0.00 N ATOM 201 CA GLU A 13 -3.220 -11.209 -4.685 1.00 0.00 C ATOM 202 C GLU A 13 -1.941 -10.572 -4.136 1.00 0.00 C ATOM 203 O GLU A 13 -1.258 -11.162 -3.301 1.00 0.00 O ATOM 204 CB GLU A 13 -2.909 -12.130 -5.866 1.00 0.00 C ATOM 205 CG GLU A 13 -2.190 -13.397 -5.400 1.00 0.00 C ATOM 206 CD GLU A 13 -1.713 -14.228 -6.593 1.00 0.00 C ATOM 207 OE1 GLU A 13 -2.541 -14.439 -7.505 1.00 0.00 O ATOM 208 OE2 GLU A 13 -0.531 -14.633 -6.566 1.00 0.00 O ATOM 0 H GLU A 13 -4.490 -10.228 -6.032 1.00 0.00 H new ATOM 0 HA GLU A 13 -3.666 -11.818 -3.899 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -3.834 -12.399 -6.375 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -2.289 -11.602 -6.590 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -1.338 -13.127 -4.776 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -2.861 -13.994 -4.782 1.00 0.00 H new ATOM 215 N LEU A 14 -1.656 -9.375 -4.629 1.00 0.00 N ATOM 216 CA LEU A 14 -0.472 -8.651 -4.199 1.00 0.00 C ATOM 217 C LEU A 14 -0.621 -8.270 -2.724 1.00 0.00 C ATOM 218 O LEU A 14 0.321 -8.410 -1.945 1.00 0.00 O ATOM 219 CB LEU A 14 -0.210 -7.457 -5.119 1.00 0.00 C ATOM 220 CG LEU A 14 0.355 -7.788 -6.502 1.00 0.00 C ATOM 221 CD1 LEU A 14 0.918 -6.536 -7.178 1.00 0.00 C ATOM 222 CD2 LEU A 14 1.392 -8.909 -6.417 1.00 0.00 C ATOM 0 H LEU A 14 -2.225 -8.889 -5.322 1.00 0.00 H new ATOM 0 HA LEU A 14 0.412 -9.284 -4.278 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.145 -6.913 -5.251 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.483 -6.782 -4.617 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.461 -8.152 -7.126 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.313 -6.799 -8.159 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.125 -5.797 -7.292 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.717 -6.120 -6.565 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.777 -9.124 -7.414 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.212 -8.598 -5.770 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.926 -9.805 -6.007 1.00 0.00 H new ATOM 234 N ILE A 15 -1.810 -7.795 -2.386 1.00 0.00 N ATOM 235 CA ILE A 15 -2.094 -7.393 -1.018 1.00 0.00 C ATOM 236 C ILE A 15 -1.830 -8.572 -0.079 1.00 0.00 C ATOM 237 O ILE A 15 -1.325 -8.387 1.027 1.00 0.00 O ATOM 238 CB ILE A 15 -3.511 -6.825 -0.910 1.00 0.00 C ATOM 239 CG1 ILE A 15 -3.497 -5.298 -0.997 1.00 0.00 C ATOM 240 CG2 ILE A 15 -4.204 -7.321 0.361 1.00 0.00 C ATOM 241 CD1 ILE A 15 -3.454 -4.832 -2.454 1.00 0.00 C ATOM 0 H ILE A 15 -2.588 -7.679 -3.035 1.00 0.00 H new ATOM 0 HA ILE A 15 -1.428 -6.586 -0.712 1.00 0.00 H new ATOM 0 HB ILE A 15 -4.092 -7.190 -1.757 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -4.384 -4.894 -0.508 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -2.632 -4.908 -0.461 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -5.209 -6.903 0.414 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -4.264 -8.409 0.342 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -3.633 -7.005 1.234 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -3.445 -3.743 -2.487 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.554 -5.217 -2.933 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -4.333 -5.204 -2.981 1.00 0.00 H new ATOM 253 N LYS A 16 -2.183 -9.757 -0.555 1.00 0.00 N ATOM 254 CA LYS A 16 -1.991 -10.965 0.228 1.00 0.00 C ATOM 255 C LYS A 16 -0.493 -11.209 0.423 1.00 0.00 C ATOM 256 O LYS A 16 -0.076 -11.750 1.445 1.00 0.00 O ATOM 257 CB LYS A 16 -2.727 -12.143 -0.414 1.00 0.00 C ATOM 258 CG LYS A 16 -3.762 -12.732 0.546 1.00 0.00 C ATOM 259 CD LYS A 16 -4.414 -13.982 -0.050 1.00 0.00 C ATOM 260 CE LYS A 16 -5.722 -13.631 -0.761 1.00 0.00 C ATOM 261 NZ LYS A 16 -6.254 -14.811 -1.479 1.00 0.00 N ATOM 0 H LYS A 16 -2.601 -9.906 -1.473 1.00 0.00 H new ATOM 0 HA LYS A 16 -2.427 -10.849 1.220 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -3.220 -11.813 -1.328 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.010 -12.913 -0.698 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -3.284 -12.983 1.493 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -4.527 -11.987 0.763 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.728 -14.454 -0.754 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.609 -14.707 0.740 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -6.455 -13.279 -0.035 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -5.553 -12.816 -1.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -7.142 -14.556 -1.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -5.560 -15.129 -2.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -6.434 -15.578 -0.800 1.00 0.00 H new ATOM 275 N LEU A 17 0.275 -10.796 -0.575 1.00 0.00 N ATOM 276 CA LEU A 17 1.718 -10.963 -0.526 1.00 0.00 C ATOM 277 C LEU A 17 2.332 -9.823 0.289 1.00 0.00 C ATOM 278 O LEU A 17 3.459 -9.934 0.768 1.00 0.00 O ATOM 279 CB LEU A 17 2.291 -11.086 -1.939 1.00 0.00 C ATOM 280 CG LEU A 17 2.133 -12.452 -2.611 1.00 0.00 C ATOM 281 CD1 LEU A 17 1.134 -12.382 -3.767 1.00 0.00 C ATOM 282 CD2 LEU A 17 3.488 -13.004 -3.056 1.00 0.00 C ATOM 0 H LEU A 17 -0.074 -10.347 -1.421 1.00 0.00 H new ATOM 0 HA LEU A 17 1.977 -11.893 -0.019 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.814 -10.336 -2.570 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.353 -10.842 -1.901 1.00 0.00 H new ATOM 0 HG LEU A 17 1.727 -13.149 -1.877 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.040 -13.366 -4.227 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.162 -12.064 -3.389 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.486 -11.666 -4.510 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.347 -13.975 -3.530 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.945 -12.316 -3.767 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.138 -13.115 -2.188 1.00 0.00 H new ATOM 294 N ARG A 18 1.562 -8.753 0.422 1.00 0.00 N ATOM 295 CA ARG A 18 2.015 -7.593 1.172 1.00 0.00 C ATOM 296 C ARG A 18 1.826 -7.823 2.672 1.00 0.00 C ATOM 297 O ARG A 18 2.143 -6.953 3.482 1.00 0.00 O ATOM 298 CB ARG A 18 1.251 -6.335 0.755 1.00 0.00 C ATOM 299 CG ARG A 18 1.688 -5.863 -0.633 1.00 0.00 C ATOM 300 CD ARG A 18 0.501 -5.303 -1.420 1.00 0.00 C ATOM 301 NE ARG A 18 0.948 -4.189 -2.287 1.00 0.00 N ATOM 302 CZ ARG A 18 0.292 -3.777 -3.380 1.00 0.00 C ATOM 303 NH1 ARG A 18 -0.845 -4.384 -3.747 1.00 0.00 N ATOM 304 NH2 ARG A 18 0.772 -2.759 -4.106 1.00 0.00 N ATOM 0 H ARG A 18 0.627 -8.665 0.023 1.00 0.00 H new ATOM 0 HA ARG A 18 3.073 -7.450 0.954 1.00 0.00 H new ATOM 0 HB2 ARG A 18 0.180 -6.539 0.753 1.00 0.00 H new ATOM 0 HB3 ARG A 18 1.423 -5.543 1.483 1.00 0.00 H new ATOM 0 HG2 ARG A 18 2.458 -5.098 -0.535 1.00 0.00 H new ATOM 0 HG3 ARG A 18 2.133 -6.694 -1.181 1.00 0.00 H new ATOM 0 HD2 ARG A 18 0.053 -6.090 -2.027 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -0.269 -4.953 -0.733 1.00 0.00 H new ATOM 0 HE ARG A 18 1.810 -3.705 -2.036 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -1.211 -5.159 -3.194 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -1.345 -4.071 -4.579 1.00 0.00 H new ATOM 0 HH21 ARG A 18 1.637 -2.297 -3.827 1.00 0.00 H new ATOM 0 HH22 ARG A 18 0.272 -2.446 -4.938 1.00 0.00 H new ATOM 318 N LYS A 19 1.310 -9.000 2.998 1.00 0.00 N ATOM 319 CA LYS A 19 1.075 -9.355 4.387 1.00 0.00 C ATOM 320 C LYS A 19 2.414 -9.641 5.069 1.00 0.00 C ATOM 321 O LYS A 19 2.523 -9.554 6.292 1.00 0.00 O ATOM 322 CB LYS A 19 0.077 -10.511 4.482 1.00 0.00 C ATOM 323 CG LYS A 19 -0.469 -10.647 5.905 1.00 0.00 C ATOM 324 CD LYS A 19 -1.130 -12.012 6.110 1.00 0.00 C ATOM 325 CE LYS A 19 -0.145 -13.147 5.821 1.00 0.00 C ATOM 326 NZ LYS A 19 -0.221 -14.180 6.879 1.00 0.00 N ATOM 0 H LYS A 19 1.048 -9.719 2.324 1.00 0.00 H new ATOM 0 HA LYS A 19 0.616 -8.523 4.921 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -0.746 -10.344 3.787 1.00 0.00 H new ATOM 0 HB3 LYS A 19 0.562 -11.441 4.184 1.00 0.00 H new ATOM 0 HG2 LYS A 19 0.341 -10.520 6.623 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -1.193 -9.855 6.098 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -1.494 -12.094 7.134 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -1.997 -12.102 5.455 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -0.369 -13.593 4.852 1.00 0.00 H new ATOM 0 HE3 LYS A 19 0.869 -12.751 5.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 0.453 -14.943 6.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 0.015 -13.754 7.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -1.185 -14.570 6.915 1.00 0.00 H new ATOM 340 N LYS A 20 3.400 -9.976 4.250 1.00 0.00 N ATOM 341 CA LYS A 20 4.727 -10.275 4.760 1.00 0.00 C ATOM 342 C LYS A 20 5.699 -9.182 4.311 1.00 0.00 C ATOM 343 O LYS A 20 6.870 -9.194 4.689 1.00 0.00 O ATOM 344 CB LYS A 20 5.154 -11.685 4.347 1.00 0.00 C ATOM 345 CG LYS A 20 5.449 -12.550 5.575 1.00 0.00 C ATOM 346 CD LYS A 20 4.278 -13.487 5.879 1.00 0.00 C ATOM 347 CE LYS A 20 4.657 -14.944 5.610 1.00 0.00 C ATOM 348 NZ LYS A 20 3.790 -15.858 6.387 1.00 0.00 N ATOM 0 H LYS A 20 3.306 -10.047 3.237 1.00 0.00 H new ATOM 0 HA LYS A 20 4.726 -10.273 5.850 1.00 0.00 H new ATOM 0 HB2 LYS A 20 4.367 -12.148 3.752 1.00 0.00 H new ATOM 0 HB3 LYS A 20 6.040 -11.630 3.715 1.00 0.00 H new ATOM 0 HG2 LYS A 20 6.353 -13.135 5.404 1.00 0.00 H new ATOM 0 HG3 LYS A 20 5.641 -11.911 6.437 1.00 0.00 H new ATOM 0 HD2 LYS A 20 3.977 -13.372 6.920 1.00 0.00 H new ATOM 0 HD3 LYS A 20 3.419 -13.212 5.267 1.00 0.00 H new ATOM 0 HE2 LYS A 20 4.562 -15.160 4.546 1.00 0.00 H new ATOM 0 HE3 LYS A 20 5.701 -15.109 5.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 4.061 -16.843 6.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 3.901 -15.662 7.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 2.797 -15.712 6.113 1.00 0.00 H new ATOM 362 N LYS A 21 5.178 -8.263 3.511 1.00 0.00 N ATOM 363 CA LYS A 21 5.986 -7.165 3.007 1.00 0.00 C ATOM 364 C LYS A 21 5.474 -5.849 3.597 1.00 0.00 C ATOM 365 O LYS A 21 5.604 -5.611 4.797 1.00 0.00 O ATOM 366 CB LYS A 21 6.018 -7.182 1.478 1.00 0.00 C ATOM 367 CG LYS A 21 6.783 -8.401 0.959 1.00 0.00 C ATOM 368 CD LYS A 21 6.073 -9.023 -0.246 1.00 0.00 C ATOM 369 CE LYS A 21 6.977 -9.015 -1.480 1.00 0.00 C ATOM 370 NZ LYS A 21 7.095 -10.378 -2.045 1.00 0.00 N ATOM 0 H LYS A 21 4.207 -8.256 3.199 1.00 0.00 H new ATOM 0 HA LYS A 21 7.022 -7.276 3.326 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.000 -7.195 1.090 1.00 0.00 H new ATOM 0 HB3 LYS A 21 6.488 -6.270 1.110 1.00 0.00 H new ATOM 0 HG2 LYS A 21 7.794 -8.107 0.678 1.00 0.00 H new ATOM 0 HG3 LYS A 21 6.875 -9.142 1.753 1.00 0.00 H new ATOM 0 HD2 LYS A 21 5.781 -10.047 -0.012 1.00 0.00 H new ATOM 0 HD3 LYS A 21 5.158 -8.471 -0.458 1.00 0.00 H new ATOM 0 HE2 LYS A 21 6.571 -8.337 -2.231 1.00 0.00 H new ATOM 0 HE3 LYS A 21 7.965 -8.639 -1.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 7.712 -10.355 -2.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 7.503 -11.015 -1.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 6.153 -10.723 -2.319 1.00 0.00 H new ATOM 384 N ILE A 22 4.905 -5.029 2.726 1.00 0.00 N ATOM 385 CA ILE A 22 4.373 -3.744 3.146 1.00 0.00 C ATOM 386 C ILE A 22 3.525 -3.154 2.017 1.00 0.00 C ATOM 387 O ILE A 22 3.452 -3.723 0.929 1.00 0.00 O ATOM 388 CB ILE A 22 5.503 -2.823 3.611 1.00 0.00 C ATOM 389 CG1 ILE A 22 5.390 -2.529 5.108 1.00 0.00 C ATOM 390 CG2 ILE A 22 5.545 -1.541 2.777 1.00 0.00 C ATOM 391 CD1 ILE A 22 4.730 -1.171 5.352 1.00 0.00 C ATOM 0 H ILE A 22 4.801 -5.229 1.731 1.00 0.00 H new ATOM 0 HA ILE A 22 3.717 -3.867 4.008 1.00 0.00 H new ATOM 0 HB ILE A 22 6.450 -3.340 3.455 1.00 0.00 H new ATOM 0 HG12 ILE A 22 4.808 -3.313 5.593 1.00 0.00 H new ATOM 0 HG13 ILE A 22 6.382 -2.542 5.561 1.00 0.00 H new ATOM 0 HG21 ILE A 22 6.357 -0.905 3.129 1.00 0.00 H new ATOM 0 HG22 ILE A 22 5.709 -1.794 1.730 1.00 0.00 H new ATOM 0 HG23 ILE A 22 4.598 -1.010 2.878 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.662 -0.987 6.424 1.00 0.00 H new ATOM 0 HD12 ILE A 22 5.327 -0.387 4.886 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.729 -1.170 4.920 1.00 0.00 H new ATOM 403 N GLU A 23 2.905 -2.022 2.315 1.00 0.00 N ATOM 404 CA GLU A 23 2.065 -1.349 1.339 1.00 0.00 C ATOM 405 C GLU A 23 2.226 0.168 1.456 1.00 0.00 C ATOM 406 O GLU A 23 1.755 0.773 2.418 1.00 0.00 O ATOM 407 CB GLU A 23 0.600 -1.760 1.501 1.00 0.00 C ATOM 408 CG GLU A 23 -0.318 -0.848 0.685 1.00 0.00 C ATOM 409 CD GLU A 23 -1.558 -1.606 0.206 1.00 0.00 C ATOM 410 OE1 GLU A 23 -1.366 -2.657 -0.443 1.00 0.00 O ATOM 411 OE2 GLU A 23 -2.671 -1.118 0.500 1.00 0.00 O ATOM 0 H GLU A 23 2.968 -1.554 3.219 1.00 0.00 H new ATOM 0 HA GLU A 23 2.385 -1.652 0.342 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.471 -2.794 1.180 1.00 0.00 H new ATOM 0 HB3 GLU A 23 0.320 -1.716 2.554 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.621 0.006 1.291 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.225 -0.453 -0.173 1.00 0.00 H new ATOM 418 N GLY A 24 2.892 0.739 0.463 1.00 0.00 N ATOM 419 CA GLY A 24 3.121 2.173 0.443 1.00 0.00 C ATOM 420 C GLY A 24 1.860 2.923 0.008 1.00 0.00 C ATOM 421 O GLY A 24 0.835 2.307 -0.279 1.00 0.00 O ATOM 0 H GLY A 24 3.280 0.234 -0.334 1.00 0.00 H new ATOM 0 HA2 GLY A 24 3.426 2.510 1.434 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.940 2.405 -0.238 1.00 0.00 H new ATOM 425 N ARG A 25 1.977 4.242 -0.028 1.00 0.00 N ATOM 426 CA ARG A 25 0.860 5.083 -0.423 1.00 0.00 C ATOM 427 C ARG A 25 1.050 6.504 0.110 1.00 0.00 C ATOM 428 O ARG A 25 1.430 6.693 1.265 1.00 0.00 O ATOM 429 CB ARG A 25 -0.464 4.522 0.102 1.00 0.00 C ATOM 430 CG ARG A 25 -1.210 3.762 -0.996 1.00 0.00 C ATOM 431 CD ARG A 25 -2.324 4.621 -1.598 1.00 0.00 C ATOM 432 NE ARG A 25 -3.464 3.765 -1.997 1.00 0.00 N ATOM 433 CZ ARG A 25 -4.611 4.233 -2.507 1.00 0.00 C ATOM 434 NH1 ARG A 25 -4.779 5.550 -2.684 1.00 0.00 N ATOM 435 NH2 ARG A 25 -5.592 3.382 -2.841 1.00 0.00 N ATOM 0 H ARG A 25 2.829 4.750 0.210 1.00 0.00 H new ATOM 0 HA ARG A 25 0.828 5.101 -1.512 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -0.273 3.857 0.944 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -1.087 5.336 0.473 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -0.511 3.467 -1.778 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -1.634 2.846 -0.585 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -2.653 5.365 -0.872 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -1.947 5.166 -2.464 1.00 0.00 H new ATOM 0 HE ARG A 25 -3.370 2.757 -1.876 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -4.033 6.198 -2.430 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -5.653 5.905 -3.072 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -5.465 2.379 -2.707 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -6.466 3.738 -3.229 1.00 0.00 H new ATOM 449 N LEU A 26 0.778 7.469 -0.757 1.00 0.00 N ATOM 450 CA LEU A 26 0.915 8.867 -0.389 1.00 0.00 C ATOM 451 C LEU A 26 -0.001 9.169 0.799 1.00 0.00 C ATOM 452 O LEU A 26 -1.112 8.648 0.879 1.00 0.00 O ATOM 453 CB LEU A 26 0.667 9.768 -1.601 1.00 0.00 C ATOM 454 CG LEU A 26 -0.335 10.906 -1.396 1.00 0.00 C ATOM 455 CD1 LEU A 26 0.262 12.011 -0.523 1.00 0.00 C ATOM 456 CD2 LEU A 26 -0.835 11.444 -2.738 1.00 0.00 C ATOM 0 H LEU A 26 0.463 7.309 -1.714 1.00 0.00 H new ATOM 0 HA LEU A 26 1.935 9.078 -0.068 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.619 10.200 -1.909 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.317 9.147 -2.425 1.00 0.00 H new ATOM 0 HG LEU A 26 -1.200 10.508 -0.866 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.471 12.808 -0.393 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.529 11.601 0.451 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.154 12.413 -1.004 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.546 12.252 -2.564 1.00 0.00 H new ATOM 0 HD22 LEU A 26 0.009 11.821 -3.316 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.325 10.643 -3.292 1.00 0.00 H new ATOM 468 N TYR A 27 0.500 10.009 1.693 1.00 0.00 N ATOM 469 CA TYR A 27 -0.259 10.386 2.874 1.00 0.00 C ATOM 470 C TYR A 27 -1.364 11.383 2.519 1.00 0.00 C ATOM 471 O TYR A 27 -1.301 12.548 2.908 1.00 0.00 O ATOM 472 CB TYR A 27 0.738 11.062 3.818 1.00 0.00 C ATOM 473 CG TYR A 27 0.225 11.227 5.249 1.00 0.00 C ATOM 474 CD1 TYR A 27 -0.269 10.137 5.936 1.00 0.00 C ATOM 475 CD2 TYR A 27 0.255 12.468 5.854 1.00 0.00 C ATOM 476 CE1 TYR A 27 -0.752 10.293 7.284 1.00 0.00 C ATOM 477 CE2 TYR A 27 -0.228 12.624 7.202 1.00 0.00 C ATOM 478 CZ TYR A 27 -0.708 11.529 7.850 1.00 0.00 C ATOM 479 OH TYR A 27 -1.164 11.676 9.123 1.00 0.00 O ATOM 0 H TYR A 27 1.422 10.439 1.623 1.00 0.00 H new ATOM 0 HA TYR A 27 -0.732 9.512 3.322 1.00 0.00 H new ATOM 0 HB2 TYR A 27 1.658 10.477 3.838 1.00 0.00 H new ATOM 0 HB3 TYR A 27 0.993 12.044 3.419 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -0.293 9.167 5.463 1.00 0.00 H new ATOM 0 HD2 TYR A 27 0.641 13.322 5.316 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -1.140 9.448 7.833 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -0.209 13.589 7.687 1.00 0.00 H new ATOM 0 HH TYR A 27 -1.071 12.612 9.398 1.00 0.00 H new ATOM 489 N ASP A 28 -2.350 10.888 1.785 1.00 0.00 N ATOM 490 CA ASP A 28 -3.467 11.721 1.374 1.00 0.00 C ATOM 491 C ASP A 28 -4.332 12.046 2.594 1.00 0.00 C ATOM 492 O ASP A 28 -3.916 11.825 3.730 1.00 0.00 O ATOM 493 CB ASP A 28 -4.345 10.999 0.351 1.00 0.00 C ATOM 494 CG ASP A 28 -3.582 10.277 -0.762 1.00 0.00 C ATOM 495 OD1 ASP A 28 -3.090 9.163 -0.481 1.00 0.00 O ATOM 496 OD2 ASP A 28 -3.508 10.856 -1.867 1.00 0.00 O ATOM 0 H ASP A 28 -2.398 9.921 1.465 1.00 0.00 H new ATOM 0 HA ASP A 28 -3.063 12.629 0.926 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -4.965 10.273 0.876 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -5.019 11.725 -0.103 1.00 0.00 H new ATOM 501 N GLU A 29 -5.519 12.565 2.317 1.00 0.00 N ATOM 502 CA GLU A 29 -6.445 12.922 3.378 1.00 0.00 C ATOM 503 C GLU A 29 -7.106 11.666 3.951 1.00 0.00 C ATOM 504 O GLU A 29 -7.226 11.524 5.167 1.00 0.00 O ATOM 505 CB GLU A 29 -7.497 13.914 2.876 1.00 0.00 C ATOM 506 CG GLU A 29 -6.897 15.312 2.711 1.00 0.00 C ATOM 507 CD GLU A 29 -7.627 16.329 3.591 1.00 0.00 C ATOM 508 OE1 GLU A 29 -8.875 16.344 3.525 1.00 0.00 O ATOM 509 OE2 GLU A 29 -6.920 17.069 4.309 1.00 0.00 O ATOM 0 H GLU A 29 -5.861 12.747 1.373 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.884 13.409 4.175 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -7.899 13.572 1.922 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -8.330 13.952 3.578 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -5.839 15.291 2.974 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -6.960 15.618 1.667 1.00 0.00 H new ATOM 516 N LYS A 30 -7.516 10.787 3.048 1.00 0.00 N ATOM 517 CA LYS A 30 -8.160 9.549 3.448 1.00 0.00 C ATOM 518 C LYS A 30 -7.146 8.662 4.174 1.00 0.00 C ATOM 519 O LYS A 30 -7.474 8.032 5.179 1.00 0.00 O ATOM 520 CB LYS A 30 -8.817 8.872 2.243 1.00 0.00 C ATOM 521 CG LYS A 30 -7.762 8.310 1.288 1.00 0.00 C ATOM 522 CD LYS A 30 -8.330 8.148 -0.123 1.00 0.00 C ATOM 523 CE LYS A 30 -7.351 8.678 -1.172 1.00 0.00 C ATOM 524 NZ LYS A 30 -7.883 8.459 -2.536 1.00 0.00 N ATOM 0 H LYS A 30 -7.414 10.909 2.040 1.00 0.00 H new ATOM 0 HA LYS A 30 -8.968 9.751 4.151 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -9.469 8.068 2.584 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -9.445 9.590 1.715 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -6.899 8.975 1.262 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -7.411 7.346 1.655 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -8.541 7.096 -0.316 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -9.277 8.682 -0.201 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -7.176 9.742 -1.010 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -6.389 8.177 -1.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -7.206 8.825 -3.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -8.027 7.441 -2.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -8.790 8.957 -2.639 1.00 0.00 H new ATOM 538 N ARG A 31 -5.935 8.642 3.638 1.00 0.00 N ATOM 539 CA ARG A 31 -4.871 7.844 4.222 1.00 0.00 C ATOM 540 C ARG A 31 -4.655 8.236 5.685 1.00 0.00 C ATOM 541 O ARG A 31 -4.644 7.378 6.566 1.00 0.00 O ATOM 542 CB ARG A 31 -3.560 8.026 3.453 1.00 0.00 C ATOM 543 CG ARG A 31 -2.994 6.676 3.008 1.00 0.00 C ATOM 544 CD ARG A 31 -3.853 6.059 1.902 1.00 0.00 C ATOM 545 NE ARG A 31 -4.433 4.779 2.366 1.00 0.00 N ATOM 546 CZ ARG A 31 -5.434 4.139 1.747 1.00 0.00 C ATOM 547 NH1 ARG A 31 -5.972 4.656 0.633 1.00 0.00 N ATOM 548 NH2 ARG A 31 -5.897 2.983 2.240 1.00 0.00 N ATOM 0 H ARG A 31 -5.667 9.166 2.805 1.00 0.00 H new ATOM 0 HA ARG A 31 -5.171 6.798 4.163 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -3.730 8.658 2.582 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -2.833 8.540 4.082 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -1.973 6.806 2.650 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.949 5.998 3.860 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -4.650 6.748 1.622 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.248 5.892 1.011 1.00 0.00 H new ATOM 0 HE ARG A 31 -4.046 4.357 3.210 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -5.619 5.536 0.257 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -6.734 4.169 0.161 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -5.487 2.589 3.087 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -6.659 2.496 1.768 1.00 0.00 H new ATOM 562 N ARG A 32 -4.488 9.533 5.898 1.00 0.00 N ATOM 563 CA ARG A 32 -4.273 10.050 7.239 1.00 0.00 C ATOM 564 C ARG A 32 -5.501 9.788 8.112 1.00 0.00 C ATOM 565 O ARG A 32 -5.385 9.654 9.329 1.00 0.00 O ATOM 566 CB ARG A 32 -3.986 11.552 7.211 1.00 0.00 C ATOM 567 CG ARG A 32 -5.142 12.319 6.565 1.00 0.00 C ATOM 568 CD ARG A 32 -4.993 13.825 6.788 1.00 0.00 C ATOM 569 NE ARG A 32 -5.184 14.146 8.220 1.00 0.00 N ATOM 570 CZ ARG A 32 -5.416 15.380 8.689 1.00 0.00 C ATOM 571 NH1 ARG A 32 -5.488 16.416 7.843 1.00 0.00 N ATOM 572 NH2 ARG A 32 -5.577 15.577 10.005 1.00 0.00 N ATOM 0 H ARG A 32 -4.497 10.241 5.164 1.00 0.00 H new ATOM 0 HA ARG A 32 -3.409 9.535 7.658 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -3.827 11.914 8.227 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -3.066 11.740 6.658 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -5.171 12.107 5.496 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -6.089 11.978 6.984 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -4.006 14.153 6.462 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -5.724 14.364 6.185 1.00 0.00 H new ATOM 0 HE ARG A 32 -5.136 13.380 8.892 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -5.366 16.266 6.841 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -5.665 17.355 8.200 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -5.523 14.788 10.649 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -5.754 16.516 10.362 1.00 0.00 H new ATOM 586 N GLN A 33 -6.651 9.722 7.456 1.00 0.00 N ATOM 587 CA GLN A 33 -7.900 9.479 8.157 1.00 0.00 C ATOM 588 C GLN A 33 -7.999 8.009 8.570 1.00 0.00 C ATOM 589 O GLN A 33 -8.631 7.683 9.574 1.00 0.00 O ATOM 590 CB GLN A 33 -9.099 9.890 7.301 1.00 0.00 C ATOM 591 CG GLN A 33 -9.675 11.227 7.771 1.00 0.00 C ATOM 592 CD GLN A 33 -10.772 11.015 8.817 1.00 0.00 C ATOM 593 OE1 GLN A 33 -10.646 11.391 9.970 1.00 0.00 O ATOM 594 NE2 GLN A 33 -11.850 10.392 8.350 1.00 0.00 N ATOM 0 H GLN A 33 -6.743 9.833 6.446 1.00 0.00 H new ATOM 0 HA GLN A 33 -7.913 10.092 9.059 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -8.796 9.967 6.257 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -9.869 9.120 7.353 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -8.880 11.841 8.193 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -10.081 11.772 6.919 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -11.889 10.104 7.372 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -12.638 10.202 8.970 1.00 0.00 H new ATOM 603 N ILE A 34 -7.366 7.160 7.774 1.00 0.00 N ATOM 604 CA ILE A 34 -7.376 5.732 8.043 1.00 0.00 C ATOM 605 C ILE A 34 -6.490 5.441 9.256 1.00 0.00 C ATOM 606 O ILE A 34 -5.310 5.788 9.266 1.00 0.00 O ATOM 607 CB ILE A 34 -6.980 4.948 6.790 1.00 0.00 C ATOM 608 CG1 ILE A 34 -8.054 5.066 5.707 1.00 0.00 C ATOM 609 CG2 ILE A 34 -6.669 3.489 7.132 1.00 0.00 C ATOM 610 CD1 ILE A 34 -7.516 4.613 4.349 1.00 0.00 C ATOM 0 H ILE A 34 -6.843 7.434 6.942 1.00 0.00 H new ATOM 0 HA ILE A 34 -8.383 5.398 8.295 1.00 0.00 H new ATOM 0 HB ILE A 34 -6.067 5.386 6.387 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -8.918 4.461 5.980 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -8.396 6.099 5.640 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -6.390 2.954 6.224 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -5.844 3.450 7.844 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -7.550 3.023 7.572 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -8.300 4.707 3.597 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -6.667 5.236 4.068 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -7.197 3.573 4.413 1.00 0.00 H new ATOM 622 N LYS A 35 -7.093 4.805 10.250 1.00 0.00 N ATOM 623 CA LYS A 35 -6.374 4.463 11.466 1.00 0.00 C ATOM 624 C LYS A 35 -6.113 2.956 11.491 1.00 0.00 C ATOM 625 O LYS A 35 -6.764 2.197 10.775 1.00 0.00 O ATOM 626 CB LYS A 35 -7.125 4.979 12.695 1.00 0.00 C ATOM 627 CG LYS A 35 -8.276 4.041 13.068 1.00 0.00 C ATOM 628 CD LYS A 35 -7.791 2.914 13.981 1.00 0.00 C ATOM 629 CE LYS A 35 -8.340 3.083 15.399 1.00 0.00 C ATOM 630 NZ LYS A 35 -9.555 2.258 15.586 1.00 0.00 N ATOM 0 H LYS A 35 -8.072 4.518 10.238 1.00 0.00 H new ATOM 0 HA LYS A 35 -5.402 4.955 11.486 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -6.437 5.068 13.535 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -7.515 5.977 12.495 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -9.063 4.606 13.568 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -8.713 3.618 12.163 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -8.107 1.952 13.577 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -6.701 2.906 14.008 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -7.581 2.794 16.126 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -8.574 4.132 15.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -9.788 2.208 16.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -10.349 2.687 15.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -9.383 1.299 15.222 1.00 0.00 H new ATOM 644 N PRO A 36 -5.134 2.557 12.347 1.00 0.00 N ATOM 645 CA PRO A 36 -4.778 1.154 12.475 1.00 0.00 C ATOM 646 C PRO A 36 -5.836 0.392 13.276 1.00 0.00 C ATOM 647 O PRO A 36 -5.714 0.246 14.491 1.00 0.00 O ATOM 648 CB PRO A 36 -3.413 1.154 13.144 1.00 0.00 C ATOM 649 CG PRO A 36 -3.262 2.524 13.783 1.00 0.00 C ATOM 650 CD PRO A 36 -4.342 3.428 13.211 1.00 0.00 C ATOM 0 HA PRO A 36 -4.736 0.641 11.514 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -3.345 0.364 13.892 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -2.622 0.973 12.417 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -3.359 2.452 14.866 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -2.273 2.934 13.578 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -4.953 3.864 14.001 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -3.909 4.256 12.649 1.00 0.00 H new ATOM 658 N GLY A 37 -6.850 -0.074 12.562 1.00 0.00 N ATOM 659 CA GLY A 37 -7.928 -0.818 13.190 1.00 0.00 C ATOM 660 C GLY A 37 -9.093 -1.023 12.219 1.00 0.00 C ATOM 661 O GLY A 37 -9.801 -2.025 12.295 1.00 0.00 O ATOM 0 H GLY A 37 -6.948 0.049 11.554 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -7.558 -1.786 13.528 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -8.277 -0.284 14.074 1.00 0.00 H new ATOM 665 N ASP A 38 -9.254 -0.056 11.327 1.00 0.00 N ATOM 666 CA ASP A 38 -10.321 -0.117 10.342 1.00 0.00 C ATOM 667 C ASP A 38 -10.044 -1.264 9.368 1.00 0.00 C ATOM 668 O ASP A 38 -9.128 -2.057 9.582 1.00 0.00 O ATOM 669 CB ASP A 38 -10.399 1.180 9.534 1.00 0.00 C ATOM 670 CG ASP A 38 -10.450 2.460 10.371 1.00 0.00 C ATOM 671 OD1 ASP A 38 -10.424 2.328 11.613 1.00 0.00 O ATOM 672 OD2 ASP A 38 -10.514 3.543 9.748 1.00 0.00 O ATOM 0 H ASP A 38 -8.664 0.774 11.266 1.00 0.00 H new ATOM 0 HA ASP A 38 -11.261 -0.269 10.872 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -9.535 1.231 8.872 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -11.285 1.143 8.900 1.00 0.00 H new ATOM 677 N VAL A 39 -10.853 -1.316 8.320 1.00 0.00 N ATOM 678 CA VAL A 39 -10.707 -2.353 7.313 1.00 0.00 C ATOM 679 C VAL A 39 -10.927 -1.746 5.926 1.00 0.00 C ATOM 680 O VAL A 39 -11.731 -0.829 5.767 1.00 0.00 O ATOM 681 CB VAL A 39 -11.657 -3.514 7.615 1.00 0.00 C ATOM 682 CG1 VAL A 39 -11.569 -4.591 6.532 1.00 0.00 C ATOM 683 CG2 VAL A 39 -11.378 -4.104 8.999 1.00 0.00 C ATOM 0 H VAL A 39 -11.612 -0.657 8.147 1.00 0.00 H new ATOM 0 HA VAL A 39 -9.697 -2.764 7.332 1.00 0.00 H new ATOM 0 HB VAL A 39 -12.674 -3.123 7.616 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -12.254 -5.404 6.771 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -11.839 -4.160 5.568 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -10.551 -4.977 6.484 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -12.067 -4.927 9.189 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -10.353 -4.472 9.038 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -11.516 -3.333 9.758 1.00 0.00 H new ATOM 693 N ILE A 40 -10.198 -2.282 4.958 1.00 0.00 N ATOM 694 CA ILE A 40 -10.304 -1.804 3.590 1.00 0.00 C ATOM 695 C ILE A 40 -10.740 -2.957 2.684 1.00 0.00 C ATOM 696 O ILE A 40 -9.930 -3.813 2.330 1.00 0.00 O ATOM 697 CB ILE A 40 -8.998 -1.138 3.153 1.00 0.00 C ATOM 698 CG1 ILE A 40 -8.447 -0.233 4.256 1.00 0.00 C ATOM 699 CG2 ILE A 40 -9.181 -0.386 1.833 1.00 0.00 C ATOM 700 CD1 ILE A 40 -6.935 -0.051 4.113 1.00 0.00 C ATOM 0 H ILE A 40 -9.532 -3.042 5.094 1.00 0.00 H new ATOM 0 HA ILE A 40 -11.070 -1.032 3.514 1.00 0.00 H new ATOM 0 HB ILE A 40 -8.258 -1.920 2.979 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -8.939 0.739 4.214 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -8.674 -0.663 5.231 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -8.238 0.078 1.545 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -9.494 -1.084 1.057 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -9.942 0.385 1.956 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -6.570 0.597 4.910 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -6.444 -1.022 4.180 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -6.713 0.402 3.147 1.00 0.00 H new ATOM 712 N SER A 41 -12.018 -2.943 2.335 1.00 0.00 N ATOM 713 CA SER A 41 -12.571 -3.977 1.477 1.00 0.00 C ATOM 714 C SER A 41 -12.230 -3.681 0.015 1.00 0.00 C ATOM 715 O SER A 41 -12.134 -2.521 -0.382 1.00 0.00 O ATOM 716 CB SER A 41 -14.086 -4.089 1.656 1.00 0.00 C ATOM 717 OG SER A 41 -14.797 -3.471 0.587 1.00 0.00 O ATOM 0 H SER A 41 -12.687 -2.232 2.631 1.00 0.00 H new ATOM 0 HA SER A 41 -12.127 -4.931 1.761 1.00 0.00 H new ATOM 0 HB2 SER A 41 -14.367 -5.140 1.718 1.00 0.00 H new ATOM 0 HB3 SER A 41 -14.375 -3.625 2.599 1.00 0.00 H new ATOM 0 HG SER A 41 -15.475 -4.090 0.244 1.00 0.00 H new ATOM 723 N PHE A 42 -12.056 -4.751 -0.747 1.00 0.00 N ATOM 724 CA PHE A 42 -11.728 -4.621 -2.157 1.00 0.00 C ATOM 725 C PHE A 42 -12.682 -5.448 -3.020 1.00 0.00 C ATOM 726 O PHE A 42 -12.955 -6.608 -2.714 1.00 0.00 O ATOM 727 CB PHE A 42 -10.305 -5.155 -2.336 1.00 0.00 C ATOM 728 CG PHE A 42 -9.219 -4.227 -1.788 1.00 0.00 C ATOM 729 CD1 PHE A 42 -9.125 -4.007 -0.449 1.00 0.00 C ATOM 730 CD2 PHE A 42 -8.348 -3.622 -2.639 1.00 0.00 C ATOM 731 CE1 PHE A 42 -8.117 -3.145 0.060 1.00 0.00 C ATOM 732 CE2 PHE A 42 -7.340 -2.761 -2.131 1.00 0.00 C ATOM 733 CZ PHE A 42 -7.246 -2.540 -0.792 1.00 0.00 C ATOM 0 H PHE A 42 -12.136 -5.712 -0.415 1.00 0.00 H new ATOM 0 HA PHE A 42 -11.814 -3.579 -2.464 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -10.226 -6.123 -1.840 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -10.122 -5.325 -3.397 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -9.817 -4.488 0.227 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -8.423 -3.797 -3.702 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -8.042 -2.970 1.123 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -6.648 -2.282 -2.807 1.00 0.00 H new ATOM 0 HZ PHE A 42 -6.480 -1.884 -0.405 1.00 0.00 H new ATOM 743 N GLU A 43 -13.164 -4.819 -4.083 1.00 0.00 N ATOM 744 CA GLU A 43 -14.082 -5.482 -4.993 1.00 0.00 C ATOM 745 C GLU A 43 -15.303 -6.000 -4.231 1.00 0.00 C ATOM 746 O GLU A 43 -15.810 -7.082 -4.524 1.00 0.00 O ATOM 747 CB GLU A 43 -13.384 -6.616 -5.746 1.00 0.00 C ATOM 748 CG GLU A 43 -12.384 -6.065 -6.764 1.00 0.00 C ATOM 749 CD GLU A 43 -13.106 -5.360 -7.915 1.00 0.00 C ATOM 750 OE1 GLU A 43 -13.777 -6.077 -8.688 1.00 0.00 O ATOM 751 OE2 GLU A 43 -12.970 -4.120 -7.995 1.00 0.00 O ATOM 0 H GLU A 43 -12.936 -3.857 -4.334 1.00 0.00 H new ATOM 0 HA GLU A 43 -14.420 -4.754 -5.731 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -12.867 -7.264 -5.038 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -14.127 -7.230 -6.256 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -11.707 -5.367 -6.273 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -11.774 -6.878 -7.157 1.00 0.00 H new ATOM 758 N GLY A 44 -15.741 -5.203 -3.267 1.00 0.00 N ATOM 759 CA GLY A 44 -16.894 -5.568 -2.461 1.00 0.00 C ATOM 760 C GLY A 44 -16.464 -6.312 -1.194 1.00 0.00 C ATOM 761 O GLY A 44 -16.685 -5.833 -0.083 1.00 0.00 O ATOM 0 H GLY A 44 -15.318 -4.306 -3.026 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -17.451 -4.671 -2.189 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -17.567 -6.196 -3.045 1.00 0.00 H new ATOM 765 N GLY A 45 -15.857 -7.470 -1.405 1.00 0.00 N ATOM 766 CA GLY A 45 -15.394 -8.285 -0.294 1.00 0.00 C ATOM 767 C GLY A 45 -14.504 -9.428 -0.786 1.00 0.00 C ATOM 768 O GLY A 45 -14.438 -10.483 -0.158 1.00 0.00 O ATOM 0 H GLY A 45 -15.675 -7.864 -2.328 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -14.839 -7.665 0.410 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -16.250 -8.692 0.245 1.00 0.00 H new ATOM 772 N LYS A 46 -13.840 -9.178 -1.906 1.00 0.00 N ATOM 773 CA LYS A 46 -12.956 -10.173 -2.489 1.00 0.00 C ATOM 774 C LYS A 46 -11.655 -10.226 -1.686 1.00 0.00 C ATOM 775 O LYS A 46 -11.086 -11.299 -1.491 1.00 0.00 O ATOM 776 CB LYS A 46 -12.748 -9.896 -3.980 1.00 0.00 C ATOM 777 CG LYS A 46 -12.651 -11.202 -4.771 1.00 0.00 C ATOM 778 CD LYS A 46 -11.193 -11.640 -4.928 1.00 0.00 C ATOM 779 CE LYS A 46 -10.959 -12.285 -6.296 1.00 0.00 C ATOM 780 NZ LYS A 46 -11.897 -13.411 -6.505 1.00 0.00 N ATOM 0 H LYS A 46 -13.897 -8.301 -2.424 1.00 0.00 H new ATOM 0 HA LYS A 46 -13.407 -11.164 -2.432 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -13.575 -9.296 -4.361 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -11.839 -9.312 -4.122 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -13.216 -11.983 -4.262 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -13.103 -11.071 -5.754 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -10.536 -10.778 -4.811 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -10.935 -12.347 -4.140 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -11.092 -11.542 -7.083 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -9.931 -12.642 -6.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -11.628 -13.932 -7.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -11.859 -14.051 -5.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -12.864 -13.042 -6.612 1.00 0.00 H new ATOM 794 N LEU A 47 -11.222 -9.055 -1.243 1.00 0.00 N ATOM 795 CA LEU A 47 -9.999 -8.955 -0.465 1.00 0.00 C ATOM 796 C LEU A 47 -10.203 -7.952 0.672 1.00 0.00 C ATOM 797 O LEU A 47 -10.351 -6.755 0.430 1.00 0.00 O ATOM 798 CB LEU A 47 -8.813 -8.623 -1.373 1.00 0.00 C ATOM 799 CG LEU A 47 -7.493 -9.319 -1.035 1.00 0.00 C ATOM 800 CD1 LEU A 47 -6.957 -8.851 0.320 1.00 0.00 C ATOM 801 CD2 LEU A 47 -7.645 -10.840 -1.096 1.00 0.00 C ATOM 0 H LEU A 47 -11.696 -8.167 -1.408 1.00 0.00 H new ATOM 0 HA LEU A 47 -9.760 -9.914 -0.005 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -9.083 -8.878 -2.398 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -8.650 -7.546 -1.345 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.756 -9.038 -1.787 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -6.018 -9.361 0.536 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -6.787 -7.775 0.292 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -7.684 -9.083 1.099 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -6.693 -11.311 -0.852 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -8.402 -11.159 -0.380 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -7.949 -11.135 -2.100 1.00 0.00 H new ATOM 813 N LYS A 48 -10.204 -8.478 1.889 1.00 0.00 N ATOM 814 CA LYS A 48 -10.387 -7.643 3.064 1.00 0.00 C ATOM 815 C LYS A 48 -9.046 -7.479 3.782 1.00 0.00 C ATOM 816 O LYS A 48 -8.340 -8.458 4.017 1.00 0.00 O ATOM 817 CB LYS A 48 -11.496 -8.208 3.954 1.00 0.00 C ATOM 818 CG LYS A 48 -12.743 -8.542 3.132 1.00 0.00 C ATOM 819 CD LYS A 48 -13.581 -7.288 2.873 1.00 0.00 C ATOM 820 CE LYS A 48 -15.054 -7.535 3.206 1.00 0.00 C ATOM 821 NZ LYS A 48 -15.512 -8.812 2.614 1.00 0.00 N ATOM 0 H LYS A 48 -10.081 -9.471 2.086 1.00 0.00 H new ATOM 0 HA LYS A 48 -10.718 -6.645 2.775 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -11.139 -9.105 4.460 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -11.750 -7.484 4.728 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -12.448 -8.989 2.183 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -13.344 -9.282 3.660 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -13.202 -6.462 3.475 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -13.485 -6.991 1.828 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -15.189 -7.559 4.287 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -15.661 -6.713 2.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -16.446 -8.677 2.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -14.833 -9.123 1.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -15.580 -9.535 3.358 1.00 0.00 H new ATOM 835 N VAL A 49 -8.736 -6.234 4.111 1.00 0.00 N ATOM 836 CA VAL A 49 -7.492 -5.929 4.797 1.00 0.00 C ATOM 837 C VAL A 49 -7.777 -4.977 5.961 1.00 0.00 C ATOM 838 O VAL A 49 -8.724 -4.194 5.910 1.00 0.00 O ATOM 839 CB VAL A 49 -6.470 -5.370 3.805 1.00 0.00 C ATOM 840 CG1 VAL A 49 -6.268 -6.328 2.629 1.00 0.00 C ATOM 841 CG2 VAL A 49 -6.883 -3.981 3.316 1.00 0.00 C ATOM 0 H VAL A 49 -9.325 -5.424 3.915 1.00 0.00 H new ATOM 0 HA VAL A 49 -7.055 -6.835 5.217 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.517 -5.272 4.325 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -5.537 -5.907 1.938 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -5.907 -7.288 2.999 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -7.216 -6.472 2.110 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -6.139 -3.607 2.612 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -7.852 -4.043 2.821 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -6.952 -3.302 4.166 1.00 0.00 H new ATOM 851 N ARG A 50 -6.940 -5.077 6.983 1.00 0.00 N ATOM 852 CA ARG A 50 -7.090 -4.235 8.158 1.00 0.00 C ATOM 853 C ARG A 50 -5.762 -3.554 8.496 1.00 0.00 C ATOM 854 O ARG A 50 -4.782 -4.223 8.820 1.00 0.00 O ATOM 855 CB ARG A 50 -7.559 -5.051 9.364 1.00 0.00 C ATOM 856 CG ARG A 50 -7.119 -4.394 10.674 1.00 0.00 C ATOM 857 CD ARG A 50 -7.750 -5.097 11.878 1.00 0.00 C ATOM 858 NE ARG A 50 -7.098 -4.644 13.127 1.00 0.00 N ATOM 859 CZ ARG A 50 -7.309 -5.198 14.329 1.00 0.00 C ATOM 860 NH1 ARG A 50 -8.156 -6.229 14.451 1.00 0.00 N ATOM 861 NH2 ARG A 50 -6.674 -4.722 15.408 1.00 0.00 N ATOM 0 H ARG A 50 -6.156 -5.728 7.022 1.00 0.00 H new ATOM 0 HA ARG A 50 -7.842 -3.479 7.931 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -8.645 -5.143 9.346 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -7.153 -6.061 9.305 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -6.033 -4.429 10.756 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -7.405 -3.342 10.672 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -8.818 -4.882 11.917 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -7.646 -6.177 11.775 1.00 0.00 H new ATOM 0 HE ARG A 50 -6.447 -3.861 13.069 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -8.640 -6.592 13.629 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -8.317 -6.651 15.365 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -6.029 -3.937 15.315 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -6.835 -5.144 16.322 1.00 0.00 H new ATOM 875 N VAL A 51 -5.772 -2.232 8.409 1.00 0.00 N ATOM 876 CA VAL A 51 -4.581 -1.454 8.702 1.00 0.00 C ATOM 877 C VAL A 51 -3.951 -1.962 10.000 1.00 0.00 C ATOM 878 O VAL A 51 -4.606 -1.998 11.040 1.00 0.00 O ATOM 879 CB VAL A 51 -4.928 0.036 8.750 1.00 0.00 C ATOM 880 CG1 VAL A 51 -3.711 0.869 9.156 1.00 0.00 C ATOM 881 CG2 VAL A 51 -5.494 0.510 7.410 1.00 0.00 C ATOM 0 H VAL A 51 -6.586 -1.680 8.140 1.00 0.00 H new ATOM 0 HA VAL A 51 -3.841 -1.577 7.911 1.00 0.00 H new ATOM 0 HB VAL A 51 -5.699 0.177 9.508 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -3.984 1.924 9.182 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -3.370 0.558 10.143 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -2.910 0.720 8.432 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -5.732 1.572 7.471 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -4.755 0.348 6.625 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -6.399 -0.052 7.178 1.00 0.00 H new ATOM 891 N LYS A 52 -2.686 -2.343 9.897 1.00 0.00 N ATOM 892 CA LYS A 52 -1.960 -2.848 11.049 1.00 0.00 C ATOM 893 C LYS A 52 -1.308 -1.678 11.789 1.00 0.00 C ATOM 894 O LYS A 52 -1.417 -1.572 13.010 1.00 0.00 O ATOM 895 CB LYS A 52 -0.970 -3.935 10.625 1.00 0.00 C ATOM 896 CG LYS A 52 -1.392 -5.302 11.169 1.00 0.00 C ATOM 897 CD LYS A 52 -2.772 -5.699 10.643 1.00 0.00 C ATOM 898 CE LYS A 52 -3.840 -5.531 11.725 1.00 0.00 C ATOM 899 NZ LYS A 52 -4.911 -6.539 11.558 1.00 0.00 N ATOM 0 H LYS A 52 -2.145 -2.312 9.033 1.00 0.00 H new ATOM 0 HA LYS A 52 -2.644 -3.328 11.749 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -0.911 -3.975 9.537 1.00 0.00 H new ATOM 0 HB3 LYS A 52 0.027 -3.686 10.989 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -0.658 -6.055 10.880 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.408 -5.275 12.259 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -3.026 -5.086 9.778 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -2.752 -6.735 10.304 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -3.386 -5.634 12.711 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -4.265 -4.529 11.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -5.583 -6.466 12.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -5.411 -6.369 10.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -4.493 -7.491 11.546 1.00 0.00 H new ATOM 913 N ALA A 53 -0.644 -0.829 11.019 1.00 0.00 N ATOM 914 CA ALA A 53 0.026 0.330 11.585 1.00 0.00 C ATOM 915 C ALA A 53 0.307 1.345 10.476 1.00 0.00 C ATOM 916 O ALA A 53 0.525 0.968 9.325 1.00 0.00 O ATOM 917 CB ALA A 53 1.301 -0.118 12.302 1.00 0.00 C ATOM 0 H ALA A 53 -0.555 -0.920 10.007 1.00 0.00 H new ATOM 0 HA ALA A 53 -0.610 0.818 12.324 1.00 0.00 H new ATOM 0 HB1 ALA A 53 1.804 0.751 12.727 1.00 0.00 H new ATOM 0 HB2 ALA A 53 1.044 -0.815 13.100 1.00 0.00 H new ATOM 0 HB3 ALA A 53 1.965 -0.610 11.591 1.00 0.00 H new ATOM 923 N ILE A 54 0.291 2.613 10.860 1.00 0.00 N ATOM 924 CA ILE A 54 0.542 3.685 9.911 1.00 0.00 C ATOM 925 C ILE A 54 1.969 4.203 10.099 1.00 0.00 C ATOM 926 O ILE A 54 2.455 4.299 11.225 1.00 0.00 O ATOM 927 CB ILE A 54 -0.528 4.771 10.036 1.00 0.00 C ATOM 928 CG1 ILE A 54 -1.065 5.173 8.661 1.00 0.00 C ATOM 929 CG2 ILE A 54 0.001 5.975 10.819 1.00 0.00 C ATOM 930 CD1 ILE A 54 -1.485 6.644 8.645 1.00 0.00 C ATOM 0 H ILE A 54 0.108 2.922 11.815 1.00 0.00 H new ATOM 0 HA ILE A 54 0.470 3.314 8.889 1.00 0.00 H new ATOM 0 HB ILE A 54 -1.365 4.362 10.601 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -0.300 5.001 7.904 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.917 4.545 8.402 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.780 6.732 10.893 1.00 0.00 H new ATOM 0 HG22 ILE A 54 0.295 5.658 11.819 1.00 0.00 H new ATOM 0 HG23 ILE A 54 0.865 6.394 10.303 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.863 6.904 7.656 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -2.267 6.807 9.387 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -0.625 7.271 8.881 1.00 0.00 H new ATOM 942 N ARG A 55 2.600 4.523 8.979 1.00 0.00 N ATOM 943 CA ARG A 55 3.962 5.028 9.006 1.00 0.00 C ATOM 944 C ARG A 55 4.155 6.090 7.921 1.00 0.00 C ATOM 945 O ARG A 55 3.582 5.988 6.838 1.00 0.00 O ATOM 946 CB ARG A 55 4.973 3.900 8.791 1.00 0.00 C ATOM 947 CG ARG A 55 5.081 3.017 10.035 1.00 0.00 C ATOM 948 CD ARG A 55 6.436 3.199 10.721 1.00 0.00 C ATOM 949 NE ARG A 55 6.550 2.274 11.871 1.00 0.00 N ATOM 950 CZ ARG A 55 6.972 1.005 11.775 1.00 0.00 C ATOM 951 NH1 ARG A 55 7.322 0.504 10.583 1.00 0.00 N ATOM 952 NH2 ARG A 55 7.044 0.238 12.872 1.00 0.00 N ATOM 0 H ARG A 55 2.193 4.442 8.047 1.00 0.00 H new ATOM 0 HA ARG A 55 4.132 5.470 9.988 1.00 0.00 H new ATOM 0 HB2 ARG A 55 4.672 3.295 7.936 1.00 0.00 H new ATOM 0 HB3 ARG A 55 5.950 4.322 8.554 1.00 0.00 H new ATOM 0 HG2 ARG A 55 4.280 3.265 10.732 1.00 0.00 H new ATOM 0 HG3 ARG A 55 4.948 1.972 9.756 1.00 0.00 H new ATOM 0 HD2 ARG A 55 7.241 3.010 10.011 1.00 0.00 H new ATOM 0 HD3 ARG A 55 6.546 4.229 11.060 1.00 0.00 H new ATOM 0 HE ARG A 55 6.291 2.624 12.794 1.00 0.00 H new ATOM 0 HH11 ARG A 55 7.267 1.088 9.748 1.00 0.00 H new ATOM 0 HH12 ARG A 55 7.643 -0.461 10.510 1.00 0.00 H new ATOM 0 HH21 ARG A 55 6.778 0.620 13.780 1.00 0.00 H new ATOM 0 HH22 ARG A 55 7.365 -0.727 12.799 1.00 0.00 H new ATOM 966 N VAL A 56 4.966 7.086 8.250 1.00 0.00 N ATOM 967 CA VAL A 56 5.242 8.165 7.318 1.00 0.00 C ATOM 968 C VAL A 56 6.749 8.248 7.071 1.00 0.00 C ATOM 969 O VAL A 56 7.544 7.992 7.975 1.00 0.00 O ATOM 970 CB VAL A 56 4.649 9.475 7.842 1.00 0.00 C ATOM 971 CG1 VAL A 56 4.890 10.620 6.857 1.00 0.00 C ATOM 972 CG2 VAL A 56 3.158 9.318 8.147 1.00 0.00 C ATOM 0 H VAL A 56 5.440 7.167 9.149 1.00 0.00 H new ATOM 0 HA VAL A 56 4.766 7.970 6.357 1.00 0.00 H new ATOM 0 HB VAL A 56 5.157 9.724 8.774 1.00 0.00 H new ATOM 0 HG11 VAL A 56 4.458 11.539 7.254 1.00 0.00 H new ATOM 0 HG12 VAL A 56 5.962 10.756 6.712 1.00 0.00 H new ATOM 0 HG13 VAL A 56 4.422 10.383 5.902 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.761 10.263 8.518 1.00 0.00 H new ATOM 0 HG22 VAL A 56 2.629 9.034 7.238 1.00 0.00 H new ATOM 0 HG23 VAL A 56 3.021 8.545 8.903 1.00 0.00 H new ATOM 982 N TYR A 57 7.098 8.606 5.844 1.00 0.00 N ATOM 983 CA TYR A 57 8.496 8.725 5.468 1.00 0.00 C ATOM 984 C TYR A 57 8.751 10.031 4.712 1.00 0.00 C ATOM 985 O TYR A 57 7.837 10.833 4.525 1.00 0.00 O ATOM 986 CB TYR A 57 8.785 7.546 4.537 1.00 0.00 C ATOM 987 CG TYR A 57 9.010 6.219 5.265 1.00 0.00 C ATOM 988 CD1 TYR A 57 7.942 5.388 5.531 1.00 0.00 C ATOM 989 CD2 TYR A 57 10.283 5.854 5.655 1.00 0.00 C ATOM 990 CE1 TYR A 57 8.154 4.139 6.217 1.00 0.00 C ATOM 991 CE2 TYR A 57 10.495 4.605 6.341 1.00 0.00 C ATOM 992 CZ TYR A 57 9.420 3.810 6.587 1.00 0.00 C ATOM 993 OH TYR A 57 9.621 2.630 7.234 1.00 0.00 O ATOM 0 H TYR A 57 6.436 8.818 5.097 1.00 0.00 H new ATOM 0 HA TYR A 57 9.133 8.724 6.353 1.00 0.00 H new ATOM 0 HB2 TYR A 57 7.952 7.431 3.843 1.00 0.00 H new ATOM 0 HB3 TYR A 57 9.668 7.775 3.940 1.00 0.00 H new ATOM 0 HD1 TYR A 57 6.946 5.674 5.225 1.00 0.00 H new ATOM 0 HD2 TYR A 57 11.119 6.504 5.446 1.00 0.00 H new ATOM 0 HE1 TYR A 57 7.326 3.479 6.432 1.00 0.00 H new ATOM 0 HE2 TYR A 57 11.485 4.307 6.653 1.00 0.00 H new ATOM 0 HH TYR A 57 10.574 2.526 7.436 1.00 0.00 H new ATOM 1003 N ASN A 58 9.998 10.204 4.297 1.00 0.00 N ATOM 1004 CA ASN A 58 10.384 11.398 3.566 1.00 0.00 C ATOM 1005 C ASN A 58 9.876 11.296 2.126 1.00 0.00 C ATOM 1006 O ASN A 58 9.306 12.249 1.596 1.00 0.00 O ATOM 1007 CB ASN A 58 11.906 11.548 3.520 1.00 0.00 C ATOM 1008 CG ASN A 58 12.307 12.999 3.246 1.00 0.00 C ATOM 1009 OD1 ASN A 58 12.134 13.378 1.983 1.00 0.00 O flip ATOM 1010 ND2 ASN A 58 12.743 13.725 4.123 1.00 0.00 N flip ATOM 0 H ASN A 58 10.753 9.537 4.453 1.00 0.00 H new ATOM 0 HA ASN A 58 9.952 12.259 4.075 1.00 0.00 H new ATOM 0 HB2 ASN A 58 12.336 11.221 4.467 1.00 0.00 H new ATOM 0 HB3 ASN A 58 12.315 10.901 2.744 1.00 0.00 H new ATOM 0 HD21 ASN A 58 12.851 13.369 5.073 1.00 0.00 H new ATOM 0 HD22 ASN A 58 13.000 14.688 3.907 1.00 0.00 H new ATOM 1017 N SER A 59 10.100 10.132 1.535 1.00 0.00 N ATOM 1018 CA SER A 59 9.672 9.893 0.167 1.00 0.00 C ATOM 1019 C SER A 59 9.594 8.389 -0.102 1.00 0.00 C ATOM 1020 O SER A 59 9.931 7.582 0.762 1.00 0.00 O ATOM 1021 CB SER A 59 10.618 10.563 -0.832 1.00 0.00 C ATOM 1022 OG SER A 59 10.260 11.920 -1.078 1.00 0.00 O ATOM 0 H SER A 59 10.572 9.344 1.978 1.00 0.00 H new ATOM 0 HA SER A 59 8.682 10.330 0.037 1.00 0.00 H new ATOM 0 HB2 SER A 59 11.638 10.521 -0.450 1.00 0.00 H new ATOM 0 HB3 SER A 59 10.606 10.009 -1.771 1.00 0.00 H new ATOM 0 HG SER A 59 9.832 12.295 -0.280 1.00 0.00 H new ATOM 1028 N PHE A 60 9.147 8.057 -1.305 1.00 0.00 N ATOM 1029 CA PHE A 60 9.021 6.664 -1.699 1.00 0.00 C ATOM 1030 C PHE A 60 10.382 5.964 -1.679 1.00 0.00 C ATOM 1031 O PHE A 60 10.483 4.807 -1.274 1.00 0.00 O ATOM 1032 CB PHE A 60 8.474 6.651 -3.127 1.00 0.00 C ATOM 1033 CG PHE A 60 7.027 7.134 -3.244 1.00 0.00 C ATOM 1034 CD1 PHE A 60 6.018 6.394 -2.710 1.00 0.00 C ATOM 1035 CD2 PHE A 60 6.750 8.303 -3.881 1.00 0.00 C ATOM 1036 CE1 PHE A 60 4.675 6.843 -2.819 1.00 0.00 C ATOM 1037 CE2 PHE A 60 5.407 8.751 -3.990 1.00 0.00 C ATOM 1038 CZ PHE A 60 4.398 8.012 -3.456 1.00 0.00 C ATOM 0 H PHE A 60 8.868 8.729 -2.020 1.00 0.00 H new ATOM 0 HA PHE A 60 8.362 6.139 -1.007 1.00 0.00 H new ATOM 0 HB2 PHE A 60 9.108 7.279 -3.753 1.00 0.00 H new ATOM 0 HB3 PHE A 60 8.541 5.637 -3.521 1.00 0.00 H new ATOM 0 HD1 PHE A 60 6.238 5.466 -2.204 1.00 0.00 H new ATOM 0 HD2 PHE A 60 7.551 8.891 -4.304 1.00 0.00 H new ATOM 0 HE1 PHE A 60 3.873 6.256 -2.396 1.00 0.00 H new ATOM 0 HE2 PHE A 60 5.187 9.679 -4.497 1.00 0.00 H new ATOM 0 HZ PHE A 60 3.377 8.354 -3.538 1.00 0.00 H new ATOM 1048 N ARG A 61 11.394 6.695 -2.123 1.00 0.00 N ATOM 1049 CA ARG A 61 12.744 6.158 -2.162 1.00 0.00 C ATOM 1050 C ARG A 61 13.163 5.674 -0.772 1.00 0.00 C ATOM 1051 O ARG A 61 13.661 4.559 -0.624 1.00 0.00 O ATOM 1052 CB ARG A 61 13.741 7.211 -2.650 1.00 0.00 C ATOM 1053 CG ARG A 61 15.072 6.565 -3.041 1.00 0.00 C ATOM 1054 CD ARG A 61 15.167 6.380 -4.557 1.00 0.00 C ATOM 1055 NE ARG A 61 15.492 7.670 -5.205 1.00 0.00 N ATOM 1056 CZ ARG A 61 16.726 8.191 -5.265 1.00 0.00 C ATOM 1057 NH1 ARG A 61 17.758 7.535 -4.717 1.00 0.00 N ATOM 1058 NH2 ARG A 61 16.927 9.367 -5.874 1.00 0.00 N ATOM 0 H ARG A 61 11.306 7.654 -2.459 1.00 0.00 H new ATOM 0 HA ARG A 61 12.748 5.320 -2.859 1.00 0.00 H new ATOM 0 HB2 ARG A 61 13.325 7.742 -3.506 1.00 0.00 H new ATOM 0 HB3 ARG A 61 13.908 7.950 -1.867 1.00 0.00 H new ATOM 0 HG2 ARG A 61 15.898 7.186 -2.694 1.00 0.00 H new ATOM 0 HG3 ARG A 61 15.171 5.599 -2.546 1.00 0.00 H new ATOM 0 HD2 ARG A 61 15.933 5.641 -4.794 1.00 0.00 H new ATOM 0 HD3 ARG A 61 14.223 5.996 -4.945 1.00 0.00 H new ATOM 0 HE ARG A 61 14.730 8.196 -5.633 1.00 0.00 H new ATOM 0 HH11 ARG A 61 17.605 6.639 -4.254 1.00 0.00 H new ATOM 0 HH12 ARG A 61 18.697 7.932 -4.763 1.00 0.00 H new ATOM 0 HH21 ARG A 61 16.141 9.866 -6.292 1.00 0.00 H new ATOM 0 HH22 ARG A 61 17.866 9.764 -5.920 1.00 0.00 H new ATOM 1072 N GLU A 62 12.945 6.536 0.210 1.00 0.00 N ATOM 1073 CA GLU A 62 13.293 6.210 1.582 1.00 0.00 C ATOM 1074 C GLU A 62 12.466 5.019 2.072 1.00 0.00 C ATOM 1075 O GLU A 62 12.943 4.214 2.871 1.00 0.00 O ATOM 1076 CB GLU A 62 13.106 7.421 2.498 1.00 0.00 C ATOM 1077 CG GLU A 62 14.362 8.294 2.516 1.00 0.00 C ATOM 1078 CD GLU A 62 14.653 8.866 1.127 1.00 0.00 C ATOM 1079 OE1 GLU A 62 13.776 9.600 0.621 1.00 0.00 O ATOM 1080 OE2 GLU A 62 15.744 8.556 0.602 1.00 0.00 O ATOM 0 H GLU A 62 12.532 7.460 0.083 1.00 0.00 H new ATOM 0 HA GLU A 62 14.347 5.932 1.612 1.00 0.00 H new ATOM 0 HB2 GLU A 62 12.254 8.010 2.158 1.00 0.00 H new ATOM 0 HB3 GLU A 62 12.878 7.085 3.509 1.00 0.00 H new ATOM 0 HG2 GLU A 62 14.233 9.109 3.229 1.00 0.00 H new ATOM 0 HG3 GLU A 62 15.214 7.705 2.856 1.00 0.00 H new ATOM 1087 N MET A 63 11.241 4.945 1.573 1.00 0.00 N ATOM 1088 CA MET A 63 10.344 3.867 1.949 1.00 0.00 C ATOM 1089 C MET A 63 10.782 2.543 1.319 1.00 0.00 C ATOM 1090 O MET A 63 10.900 1.532 2.009 1.00 0.00 O ATOM 1091 CB MET A 63 8.922 4.203 1.494 1.00 0.00 C ATOM 1092 CG MET A 63 8.113 4.822 2.635 1.00 0.00 C ATOM 1093 SD MET A 63 6.452 5.175 2.084 1.00 0.00 S ATOM 1094 CE MET A 63 6.106 3.684 1.166 1.00 0.00 C ATOM 0 H MET A 63 10.849 5.615 0.911 1.00 0.00 H new ATOM 0 HA MET A 63 10.372 3.759 3.033 1.00 0.00 H new ATOM 0 HB2 MET A 63 8.960 4.895 0.653 1.00 0.00 H new ATOM 0 HB3 MET A 63 8.426 3.299 1.141 1.00 0.00 H new ATOM 0 HG2 MET A 63 8.086 4.140 3.485 1.00 0.00 H new ATOM 0 HG3 MET A 63 8.594 5.738 2.977 1.00 0.00 H new ATOM 0 HE1 MET A 63 5.031 3.595 1.009 1.00 0.00 H new ATOM 0 HE2 MET A 63 6.612 3.725 0.201 1.00 0.00 H new ATOM 0 HE3 MET A 63 6.464 2.820 1.726 1.00 0.00 H new ATOM 1104 N LEU A 64 11.012 2.593 0.015 1.00 0.00 N ATOM 1105 CA LEU A 64 11.435 1.410 -0.716 1.00 0.00 C ATOM 1106 C LEU A 64 12.870 1.058 -0.321 1.00 0.00 C ATOM 1107 O LEU A 64 13.270 -0.103 -0.391 1.00 0.00 O ATOM 1108 CB LEU A 64 11.243 1.613 -2.220 1.00 0.00 C ATOM 1109 CG LEU A 64 9.835 2.008 -2.670 1.00 0.00 C ATOM 1110 CD1 LEU A 64 9.852 2.576 -4.091 1.00 0.00 C ATOM 1111 CD2 LEU A 64 8.866 0.833 -2.534 1.00 0.00 C ATOM 0 H LEU A 64 10.914 3.434 -0.554 1.00 0.00 H new ATOM 0 HA LEU A 64 10.813 0.555 -0.451 1.00 0.00 H new ATOM 0 HB2 LEU A 64 11.939 2.383 -2.554 1.00 0.00 H new ATOM 0 HB3 LEU A 64 11.520 0.690 -2.729 1.00 0.00 H new ATOM 0 HG LEU A 64 9.476 2.799 -2.012 1.00 0.00 H new ATOM 0 HD11 LEU A 64 8.839 2.849 -4.386 1.00 0.00 H new ATOM 0 HD12 LEU A 64 10.489 3.460 -4.122 1.00 0.00 H new ATOM 0 HD13 LEU A 64 10.240 1.825 -4.779 1.00 0.00 H new ATOM 0 HD21 LEU A 64 7.873 1.141 -2.860 1.00 0.00 H new ATOM 0 HD22 LEU A 64 9.210 0.004 -3.152 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.823 0.515 -1.492 1.00 0.00 H new ATOM 1123 N GLU A 65 13.606 2.082 0.086 1.00 0.00 N ATOM 1124 CA GLU A 65 14.988 1.895 0.493 1.00 0.00 C ATOM 1125 C GLU A 65 15.052 1.247 1.877 1.00 0.00 C ATOM 1126 O GLU A 65 15.752 0.254 2.070 1.00 0.00 O ATOM 1127 CB GLU A 65 15.750 3.222 0.473 1.00 0.00 C ATOM 1128 CG GLU A 65 16.152 3.603 -0.953 1.00 0.00 C ATOM 1129 CD GLU A 65 17.406 2.843 -1.391 1.00 0.00 C ATOM 1130 OE1 GLU A 65 18.499 3.244 -0.937 1.00 0.00 O ATOM 1131 OE2 GLU A 65 17.242 1.879 -2.169 1.00 0.00 O ATOM 0 H GLU A 65 13.271 3.044 0.143 1.00 0.00 H new ATOM 0 HA GLU A 65 15.469 1.227 -0.221 1.00 0.00 H new ATOM 0 HB2 GLU A 65 15.129 4.008 0.902 1.00 0.00 H new ATOM 0 HB3 GLU A 65 16.640 3.143 1.097 1.00 0.00 H new ATOM 0 HG2 GLU A 65 15.332 3.383 -1.637 1.00 0.00 H new ATOM 0 HG3 GLU A 65 16.335 4.676 -1.009 1.00 0.00 H new ATOM 1138 N LYS A 66 14.311 1.834 2.805 1.00 0.00 N ATOM 1139 CA LYS A 66 14.274 1.326 4.166 1.00 0.00 C ATOM 1140 C LYS A 66 13.268 0.177 4.250 1.00 0.00 C ATOM 1141 O LYS A 66 13.644 -0.965 4.511 1.00 0.00 O ATOM 1142 CB LYS A 66 13.995 2.461 5.154 1.00 0.00 C ATOM 1143 CG LYS A 66 15.060 2.506 6.251 1.00 0.00 C ATOM 1144 CD LYS A 66 16.033 3.666 6.024 1.00 0.00 C ATOM 1145 CE LYS A 66 15.787 4.792 7.030 1.00 0.00 C ATOM 1146 NZ LYS A 66 16.511 4.527 8.293 1.00 0.00 N ATOM 0 H LYS A 66 13.731 2.657 2.641 1.00 0.00 H new ATOM 0 HA LYS A 66 15.246 0.920 4.448 1.00 0.00 H new ATOM 0 HB2 LYS A 66 13.974 3.413 4.623 1.00 0.00 H new ATOM 0 HB3 LYS A 66 13.011 2.324 5.603 1.00 0.00 H new ATOM 0 HG2 LYS A 66 14.581 2.614 7.224 1.00 0.00 H new ATOM 0 HG3 LYS A 66 15.609 1.564 6.269 1.00 0.00 H new ATOM 0 HD2 LYS A 66 17.059 3.309 6.116 1.00 0.00 H new ATOM 0 HD3 LYS A 66 15.919 4.048 5.010 1.00 0.00 H new ATOM 0 HE2 LYS A 66 16.115 5.742 6.608 1.00 0.00 H new ATOM 0 HE3 LYS A 66 14.719 4.883 7.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 16.333 5.301 8.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 16.179 3.631 8.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 17.531 4.463 8.101 1.00 0.00 H new ATOM 1160 N GLU A 67 12.008 0.518 4.023 1.00 0.00 N ATOM 1161 CA GLU A 67 10.945 -0.471 4.070 1.00 0.00 C ATOM 1162 C GLU A 67 11.258 -1.632 3.124 1.00 0.00 C ATOM 1163 O GLU A 67 11.140 -2.796 3.504 1.00 0.00 O ATOM 1164 CB GLU A 67 9.593 0.161 3.733 1.00 0.00 C ATOM 1165 CG GLU A 67 8.506 -0.323 4.695 1.00 0.00 C ATOM 1166 CD GLU A 67 8.560 -1.843 4.863 1.00 0.00 C ATOM 1167 OE1 GLU A 67 8.496 -2.532 3.822 1.00 0.00 O ATOM 1168 OE2 GLU A 67 8.665 -2.282 6.029 1.00 0.00 O ATOM 0 H GLU A 67 11.699 1.466 3.806 1.00 0.00 H new ATOM 0 HA GLU A 67 10.884 -0.862 5.086 1.00 0.00 H new ATOM 0 HB2 GLU A 67 9.672 1.247 3.785 1.00 0.00 H new ATOM 0 HB3 GLU A 67 9.315 -0.090 2.709 1.00 0.00 H new ATOM 0 HG2 GLU A 67 8.633 0.158 5.665 1.00 0.00 H new ATOM 0 HG3 GLU A 67 7.526 -0.030 4.319 1.00 0.00 H new ATOM 1175 N GLY A 68 11.651 -1.275 1.910 1.00 0.00 N ATOM 1176 CA GLY A 68 11.983 -2.272 0.907 1.00 0.00 C ATOM 1177 C GLY A 68 11.114 -2.104 -0.341 1.00 0.00 C ATOM 1178 O GLY A 68 9.889 -2.041 -0.246 1.00 0.00 O ATOM 0 H GLY A 68 11.747 -0.308 1.598 1.00 0.00 H new ATOM 0 HA2 GLY A 68 13.035 -2.185 0.636 1.00 0.00 H new ATOM 0 HA3 GLY A 68 11.842 -3.270 1.321 1.00 0.00 H new ATOM 1182 N LEU A 69 11.782 -2.037 -1.484 1.00 0.00 N ATOM 1183 CA LEU A 69 11.086 -1.877 -2.749 1.00 0.00 C ATOM 1184 C LEU A 69 10.164 -3.077 -2.974 1.00 0.00 C ATOM 1185 O LEU A 69 8.950 -2.917 -3.098 1.00 0.00 O ATOM 1186 CB LEU A 69 12.085 -1.648 -3.885 1.00 0.00 C ATOM 1187 CG LEU A 69 11.532 -1.792 -5.304 1.00 0.00 C ATOM 1188 CD1 LEU A 69 10.670 -0.585 -5.681 1.00 0.00 C ATOM 1189 CD2 LEU A 69 12.659 -2.028 -6.311 1.00 0.00 C ATOM 0 H LEU A 69 12.798 -2.091 -1.560 1.00 0.00 H new ATOM 0 HA LEU A 69 10.455 -0.989 -2.727 1.00 0.00 H new ATOM 0 HB2 LEU A 69 12.502 -0.647 -3.779 1.00 0.00 H new ATOM 0 HB3 LEU A 69 12.909 -2.351 -3.765 1.00 0.00 H new ATOM 0 HG LEU A 69 10.887 -2.670 -5.332 1.00 0.00 H new ATOM 0 HD11 LEU A 69 10.289 -0.712 -6.694 1.00 0.00 H new ATOM 0 HD12 LEU A 69 9.834 -0.504 -4.987 1.00 0.00 H new ATOM 0 HD13 LEU A 69 11.272 0.322 -5.631 1.00 0.00 H new ATOM 0 HD21 LEU A 69 12.238 -2.127 -7.312 1.00 0.00 H new ATOM 0 HD22 LEU A 69 13.349 -1.184 -6.289 1.00 0.00 H new ATOM 0 HD23 LEU A 69 13.194 -2.941 -6.051 1.00 0.00 H new ATOM 1201 N GLU A 70 10.774 -4.252 -3.019 1.00 0.00 N ATOM 1202 CA GLU A 70 10.023 -5.478 -3.226 1.00 0.00 C ATOM 1203 C GLU A 70 9.133 -5.767 -2.016 1.00 0.00 C ATOM 1204 O GLU A 70 8.270 -6.642 -2.070 1.00 0.00 O ATOM 1205 CB GLU A 70 10.960 -6.654 -3.511 1.00 0.00 C ATOM 1206 CG GLU A 70 11.063 -6.923 -5.013 1.00 0.00 C ATOM 1207 CD GLU A 70 12.074 -8.034 -5.304 1.00 0.00 C ATOM 1208 OE1 GLU A 70 13.051 -8.128 -4.530 1.00 0.00 O ATOM 1209 OE2 GLU A 70 11.847 -8.763 -6.293 1.00 0.00 O ATOM 0 H GLU A 70 11.781 -4.381 -2.916 1.00 0.00 H new ATOM 0 HA GLU A 70 9.384 -5.346 -4.099 1.00 0.00 H new ATOM 0 HB2 GLU A 70 11.950 -6.441 -3.108 1.00 0.00 H new ATOM 0 HB3 GLU A 70 10.594 -7.546 -3.003 1.00 0.00 H new ATOM 0 HG2 GLU A 70 10.085 -7.205 -5.403 1.00 0.00 H new ATOM 0 HG3 GLU A 70 11.361 -6.011 -5.530 1.00 0.00 H new ATOM 1216 N ASN A 71 9.374 -5.015 -0.952 1.00 0.00 N ATOM 1217 CA ASN A 71 8.605 -5.179 0.270 1.00 0.00 C ATOM 1218 C ASN A 71 7.441 -4.185 0.273 1.00 0.00 C ATOM 1219 O ASN A 71 6.751 -4.035 1.279 1.00 0.00 O ATOM 1220 CB ASN A 71 9.466 -4.902 1.504 1.00 0.00 C ATOM 1221 CG ASN A 71 10.501 -6.010 1.710 1.00 0.00 C ATOM 1222 OD1 ASN A 71 11.277 -6.228 0.652 1.00 0.00 O flip ATOM 1223 ND2 ASN A 71 10.590 -6.625 2.759 1.00 0.00 N flip ATOM 0 H ASN A 71 10.091 -4.291 -0.911 1.00 0.00 H new ATOM 0 HA ASN A 71 8.244 -6.207 0.305 1.00 0.00 H new ATOM 0 HB2 ASN A 71 9.972 -3.943 1.391 1.00 0.00 H new ATOM 0 HB3 ASN A 71 8.830 -4.825 2.386 1.00 0.00 H new ATOM 0 HD21 ASN A 71 9.962 -6.407 3.533 1.00 0.00 H new ATOM 0 HD22 ASN A 71 11.292 -7.357 2.863 1.00 0.00 H new ATOM 1230 N VAL A 72 7.260 -3.532 -0.866 1.00 0.00 N ATOM 1231 CA VAL A 72 6.193 -2.557 -1.008 1.00 0.00 C ATOM 1232 C VAL A 72 5.498 -2.759 -2.356 1.00 0.00 C ATOM 1233 O VAL A 72 4.280 -2.919 -2.413 1.00 0.00 O ATOM 1234 CB VAL A 72 6.748 -1.143 -0.827 1.00 0.00 C ATOM 1235 CG1 VAL A 72 5.665 -0.092 -1.080 1.00 0.00 C ATOM 1236 CG2 VAL A 72 7.367 -0.970 0.561 1.00 0.00 C ATOM 0 H VAL A 72 7.835 -3.660 -1.699 1.00 0.00 H new ATOM 0 HA VAL A 72 5.442 -2.698 -0.231 1.00 0.00 H new ATOM 0 HB VAL A 72 7.536 -0.996 -1.565 1.00 0.00 H new ATOM 0 HG11 VAL A 72 6.086 0.904 -0.945 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.291 -0.193 -2.099 1.00 0.00 H new ATOM 0 HG13 VAL A 72 4.845 -0.238 -0.377 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.754 0.044 0.663 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.608 -1.147 1.323 1.00 0.00 H new ATOM 0 HG23 VAL A 72 8.181 -1.683 0.688 1.00 0.00 H new ATOM 1246 N LEU A 73 6.304 -2.747 -3.408 1.00 0.00 N ATOM 1247 CA LEU A 73 5.782 -2.927 -4.752 1.00 0.00 C ATOM 1248 C LEU A 73 6.397 -4.185 -5.368 1.00 0.00 C ATOM 1249 O LEU A 73 7.475 -4.129 -5.958 1.00 0.00 O ATOM 1250 CB LEU A 73 6.003 -1.663 -5.586 1.00 0.00 C ATOM 1251 CG LEU A 73 5.079 -1.487 -6.793 1.00 0.00 C ATOM 1252 CD1 LEU A 73 3.940 -0.517 -6.474 1.00 0.00 C ATOM 1253 CD2 LEU A 73 5.870 -1.055 -8.030 1.00 0.00 C ATOM 0 H LEU A 73 7.314 -2.615 -3.357 1.00 0.00 H new ATOM 0 HA LEU A 73 4.703 -3.079 -4.725 1.00 0.00 H new ATOM 0 HB2 LEU A 73 5.887 -0.797 -4.935 1.00 0.00 H new ATOM 0 HB3 LEU A 73 7.034 -1.660 -5.939 1.00 0.00 H new ATOM 0 HG LEU A 73 4.626 -2.452 -7.021 1.00 0.00 H new ATOM 0 HD11 LEU A 73 3.298 -0.410 -7.348 1.00 0.00 H new ATOM 0 HD12 LEU A 73 3.355 -0.904 -5.640 1.00 0.00 H new ATOM 0 HD13 LEU A 73 4.354 0.455 -6.206 1.00 0.00 H new ATOM 0 HD21 LEU A 73 5.190 -0.937 -8.874 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.368 -0.106 -7.830 1.00 0.00 H new ATOM 0 HD23 LEU A 73 6.616 -1.814 -8.268 1.00 0.00 H new ATOM 1265 N PRO A 74 5.665 -5.320 -5.207 1.00 0.00 N ATOM 1266 CA PRO A 74 6.126 -6.590 -5.741 1.00 0.00 C ATOM 1267 C PRO A 74 5.943 -6.646 -7.259 1.00 0.00 C ATOM 1268 O PRO A 74 4.817 -6.602 -7.754 1.00 0.00 O ATOM 1269 CB PRO A 74 5.314 -7.644 -5.005 1.00 0.00 C ATOM 1270 CG PRO A 74 4.110 -6.916 -4.430 1.00 0.00 C ATOM 1271 CD PRO A 74 4.383 -5.424 -4.515 1.00 0.00 C ATOM 0 HA PRO A 74 7.193 -6.749 -5.587 1.00 0.00 H new ATOM 0 HB2 PRO A 74 5.003 -8.440 -5.681 1.00 0.00 H new ATOM 0 HB3 PRO A 74 5.903 -8.109 -4.215 1.00 0.00 H new ATOM 0 HG2 PRO A 74 3.208 -7.171 -4.986 1.00 0.00 H new ATOM 0 HG3 PRO A 74 3.942 -7.215 -3.395 1.00 0.00 H new ATOM 0 HD2 PRO A 74 3.594 -4.908 -5.063 1.00 0.00 H new ATOM 0 HD3 PRO A 74 4.430 -4.973 -3.524 1.00 0.00 H new ATOM 1279 N GLY A 75 7.066 -6.743 -7.955 1.00 0.00 N ATOM 1280 CA GLY A 75 7.043 -6.806 -9.407 1.00 0.00 C ATOM 1281 C GLY A 75 7.779 -5.612 -10.019 1.00 0.00 C ATOM 1282 O GLY A 75 8.276 -5.693 -11.141 1.00 0.00 O ATOM 0 H GLY A 75 7.997 -6.780 -7.541 1.00 0.00 H new ATOM 0 HA2 GLY A 75 7.506 -7.734 -9.742 1.00 0.00 H new ATOM 0 HA3 GLY A 75 6.011 -6.820 -9.758 1.00 0.00 H new ATOM 1286 N VAL A 76 7.825 -4.531 -9.254 1.00 0.00 N ATOM 1287 CA VAL A 76 8.491 -3.322 -9.707 1.00 0.00 C ATOM 1288 C VAL A 76 9.772 -3.700 -10.454 1.00 0.00 C ATOM 1289 O VAL A 76 10.357 -4.751 -10.198 1.00 0.00 O ATOM 1290 CB VAL A 76 8.745 -2.389 -8.521 1.00 0.00 C ATOM 1291 CG1 VAL A 76 9.908 -2.894 -7.665 1.00 0.00 C ATOM 1292 CG2 VAL A 76 8.995 -0.956 -8.994 1.00 0.00 C ATOM 0 H VAL A 76 7.412 -4.467 -8.324 1.00 0.00 H new ATOM 0 HA VAL A 76 7.857 -2.775 -10.404 1.00 0.00 H new ATOM 0 HB VAL A 76 7.849 -2.385 -7.900 1.00 0.00 H new ATOM 0 HG11 VAL A 76 10.067 -2.213 -6.829 1.00 0.00 H new ATOM 0 HG12 VAL A 76 9.674 -3.888 -7.284 1.00 0.00 H new ATOM 0 HG13 VAL A 76 10.812 -2.942 -8.272 1.00 0.00 H new ATOM 0 HG21 VAL A 76 9.173 -0.314 -8.131 1.00 0.00 H new ATOM 0 HG22 VAL A 76 9.867 -0.935 -9.647 1.00 0.00 H new ATOM 0 HG23 VAL A 76 8.123 -0.596 -9.541 1.00 0.00 H new ATOM 1302 N LYS A 77 10.169 -2.822 -11.364 1.00 0.00 N ATOM 1303 CA LYS A 77 11.369 -3.051 -12.150 1.00 0.00 C ATOM 1304 C LYS A 77 12.587 -2.548 -11.373 1.00 0.00 C ATOM 1305 O LYS A 77 13.668 -3.128 -11.462 1.00 0.00 O ATOM 1306 CB LYS A 77 11.226 -2.426 -13.540 1.00 0.00 C ATOM 1307 CG LYS A 77 10.153 -3.149 -14.358 1.00 0.00 C ATOM 1308 CD LYS A 77 10.419 -3.007 -15.858 1.00 0.00 C ATOM 1309 CE LYS A 77 10.893 -4.331 -16.458 1.00 0.00 C ATOM 1310 NZ LYS A 77 11.595 -4.098 -17.740 1.00 0.00 N ATOM 0 H LYS A 77 9.681 -1.951 -11.574 1.00 0.00 H new ATOM 0 HA LYS A 77 11.516 -4.118 -12.318 1.00 0.00 H new ATOM 0 HB2 LYS A 77 10.966 -1.372 -13.444 1.00 0.00 H new ATOM 0 HB3 LYS A 77 12.181 -2.473 -14.064 1.00 0.00 H new ATOM 0 HG2 LYS A 77 10.134 -4.205 -14.087 1.00 0.00 H new ATOM 0 HG3 LYS A 77 9.171 -2.740 -14.119 1.00 0.00 H new ATOM 0 HD2 LYS A 77 9.510 -2.680 -16.363 1.00 0.00 H new ATOM 0 HD3 LYS A 77 11.172 -2.237 -16.026 1.00 0.00 H new ATOM 0 HE2 LYS A 77 11.559 -4.836 -15.759 1.00 0.00 H new ATOM 0 HE3 LYS A 77 10.040 -4.990 -16.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 11.910 -5.008 -18.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 10.948 -3.636 -18.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 12.420 -3.487 -17.578 1.00 0.00 H new ATOM 1324 N SER A 78 12.371 -1.474 -10.628 1.00 0.00 N ATOM 1325 CA SER A 78 13.437 -0.886 -9.835 1.00 0.00 C ATOM 1326 C SER A 78 12.871 0.199 -8.918 1.00 0.00 C ATOM 1327 O SER A 78 11.733 0.633 -9.092 1.00 0.00 O ATOM 1328 CB SER A 78 14.533 -0.305 -10.731 1.00 0.00 C ATOM 1329 OG SER A 78 15.437 -1.307 -11.188 1.00 0.00 O ATOM 0 H SER A 78 11.473 -0.995 -10.557 1.00 0.00 H new ATOM 0 HA SER A 78 13.882 -1.672 -9.225 1.00 0.00 H new ATOM 0 HB2 SER A 78 14.076 0.189 -11.588 1.00 0.00 H new ATOM 0 HB3 SER A 78 15.085 0.457 -10.181 1.00 0.00 H new ATOM 0 HG SER A 78 15.030 -2.191 -11.074 1.00 0.00 H new ATOM 1335 N ILE A 79 13.690 0.607 -7.960 1.00 0.00 N ATOM 1336 CA ILE A 79 13.285 1.634 -7.015 1.00 0.00 C ATOM 1337 C ILE A 79 12.800 2.865 -7.783 1.00 0.00 C ATOM 1338 O ILE A 79 11.784 3.461 -7.430 1.00 0.00 O ATOM 1339 CB ILE A 79 14.416 1.930 -6.028 1.00 0.00 C ATOM 1340 CG1 ILE A 79 14.828 0.666 -5.271 1.00 0.00 C ATOM 1341 CG2 ILE A 79 14.032 3.068 -5.080 1.00 0.00 C ATOM 1342 CD1 ILE A 79 15.798 0.999 -4.136 1.00 0.00 C ATOM 0 H ILE A 79 14.633 0.245 -7.818 1.00 0.00 H new ATOM 0 HA ILE A 79 12.448 1.286 -6.409 1.00 0.00 H new ATOM 0 HB ILE A 79 15.286 2.263 -6.594 1.00 0.00 H new ATOM 0 HG12 ILE A 79 13.943 0.176 -4.866 1.00 0.00 H new ATOM 0 HG13 ILE A 79 15.296 -0.038 -5.959 1.00 0.00 H new ATOM 0 HG21 ILE A 79 14.853 3.258 -4.389 1.00 0.00 H new ATOM 0 HG22 ILE A 79 13.827 3.969 -5.658 1.00 0.00 H new ATOM 0 HG23 ILE A 79 13.142 2.788 -4.517 1.00 0.00 H new ATOM 0 HD11 ILE A 79 16.075 0.083 -3.614 1.00 0.00 H new ATOM 0 HD12 ILE A 79 16.692 1.467 -4.547 1.00 0.00 H new ATOM 0 HD13 ILE A 79 15.319 1.684 -3.437 1.00 0.00 H new ATOM 1354 N GLU A 80 13.550 3.210 -8.819 1.00 0.00 N ATOM 1355 CA GLU A 80 13.210 4.360 -9.640 1.00 0.00 C ATOM 1356 C GLU A 80 11.844 4.155 -10.299 1.00 0.00 C ATOM 1357 O GLU A 80 11.023 5.071 -10.331 1.00 0.00 O ATOM 1358 CB GLU A 80 14.291 4.624 -10.689 1.00 0.00 C ATOM 1359 CG GLU A 80 15.089 5.884 -10.349 1.00 0.00 C ATOM 1360 CD GLU A 80 14.922 6.949 -11.435 1.00 0.00 C ATOM 1361 OE1 GLU A 80 15.612 6.818 -12.469 1.00 0.00 O ATOM 1362 OE2 GLU A 80 14.109 7.870 -11.207 1.00 0.00 O ATOM 0 H GLU A 80 14.392 2.713 -9.109 1.00 0.00 H new ATOM 0 HA GLU A 80 13.154 5.238 -8.996 1.00 0.00 H new ATOM 0 HB2 GLU A 80 14.963 3.768 -10.747 1.00 0.00 H new ATOM 0 HB3 GLU A 80 13.831 4.735 -11.671 1.00 0.00 H new ATOM 0 HG2 GLU A 80 14.756 6.282 -9.390 1.00 0.00 H new ATOM 0 HG3 GLU A 80 16.144 5.632 -10.241 1.00 0.00 H new ATOM 1369 N GLU A 81 11.643 2.949 -10.809 1.00 0.00 N ATOM 1370 CA GLU A 81 10.392 2.613 -11.466 1.00 0.00 C ATOM 1371 C GLU A 81 9.233 2.686 -10.469 1.00 0.00 C ATOM 1372 O GLU A 81 8.139 3.130 -10.814 1.00 0.00 O ATOM 1373 CB GLU A 81 10.468 1.231 -12.117 1.00 0.00 C ATOM 1374 CG GLU A 81 10.870 1.341 -13.589 1.00 0.00 C ATOM 1375 CD GLU A 81 9.669 1.098 -14.506 1.00 0.00 C ATOM 1376 OE1 GLU A 81 9.288 -0.085 -14.641 1.00 0.00 O ATOM 1377 OE2 GLU A 81 9.159 2.101 -15.050 1.00 0.00 O ATOM 0 H GLU A 81 12.326 2.192 -10.780 1.00 0.00 H new ATOM 0 HA GLU A 81 10.213 3.341 -12.257 1.00 0.00 H new ATOM 0 HB2 GLU A 81 11.191 0.613 -11.584 1.00 0.00 H new ATOM 0 HB3 GLU A 81 9.502 0.733 -12.036 1.00 0.00 H new ATOM 0 HG2 GLU A 81 11.286 2.330 -13.783 1.00 0.00 H new ATOM 0 HG3 GLU A 81 11.654 0.616 -13.811 1.00 0.00 H new ATOM 1384 N GLY A 82 9.513 2.244 -9.252 1.00 0.00 N ATOM 1385 CA GLY A 82 8.508 2.253 -8.202 1.00 0.00 C ATOM 1386 C GLY A 82 7.915 3.652 -8.024 1.00 0.00 C ATOM 1387 O GLY A 82 6.696 3.812 -7.981 1.00 0.00 O ATOM 0 H GLY A 82 10.422 1.877 -8.969 1.00 0.00 H new ATOM 0 HA2 GLY A 82 7.715 1.546 -8.446 1.00 0.00 H new ATOM 0 HA3 GLY A 82 8.953 1.921 -7.264 1.00 0.00 H new ATOM 1391 N ILE A 83 8.804 4.629 -7.925 1.00 0.00 N ATOM 1392 CA ILE A 83 8.384 6.009 -7.752 1.00 0.00 C ATOM 1393 C ILE A 83 7.493 6.417 -8.927 1.00 0.00 C ATOM 1394 O ILE A 83 6.491 7.106 -8.741 1.00 0.00 O ATOM 1395 CB ILE A 83 9.598 6.919 -7.557 1.00 0.00 C ATOM 1396 CG1 ILE A 83 10.170 6.774 -6.145 1.00 0.00 C ATOM 1397 CG2 ILE A 83 9.254 8.372 -7.889 1.00 0.00 C ATOM 1398 CD1 ILE A 83 11.516 6.046 -6.171 1.00 0.00 C ATOM 0 H ILE A 83 9.814 4.492 -7.961 1.00 0.00 H new ATOM 0 HA ILE A 83 7.787 6.114 -6.846 1.00 0.00 H new ATOM 0 HB ILE A 83 10.375 6.605 -8.254 1.00 0.00 H new ATOM 0 HG12 ILE A 83 10.294 7.759 -5.696 1.00 0.00 H new ATOM 0 HG13 ILE A 83 9.467 6.225 -5.519 1.00 0.00 H new ATOM 0 HG21 ILE A 83 10.135 8.997 -7.742 1.00 0.00 H new ATOM 0 HG22 ILE A 83 8.929 8.441 -8.927 1.00 0.00 H new ATOM 0 HG23 ILE A 83 8.452 8.715 -7.235 1.00 0.00 H new ATOM 0 HD11 ILE A 83 11.901 5.956 -5.155 1.00 0.00 H new ATOM 0 HD12 ILE A 83 11.384 5.052 -6.598 1.00 0.00 H new ATOM 0 HD13 ILE A 83 12.223 6.611 -6.778 1.00 0.00 H new ATOM 1410 N GLN A 84 7.890 5.974 -10.111 1.00 0.00 N ATOM 1411 CA GLN A 84 7.140 6.284 -11.316 1.00 0.00 C ATOM 1412 C GLN A 84 5.700 5.782 -11.190 1.00 0.00 C ATOM 1413 O GLN A 84 4.766 6.443 -11.642 1.00 0.00 O ATOM 1414 CB GLN A 84 7.820 5.693 -12.553 1.00 0.00 C ATOM 1415 CG GLN A 84 8.805 6.691 -13.166 1.00 0.00 C ATOM 1416 CD GLN A 84 8.096 7.984 -13.571 1.00 0.00 C ATOM 1417 OE1 GLN A 84 7.008 7.979 -14.124 1.00 0.00 O ATOM 1418 NE2 GLN A 84 8.770 9.089 -13.266 1.00 0.00 N ATOM 0 H GLN A 84 8.722 5.403 -10.261 1.00 0.00 H new ATOM 0 HA GLN A 84 7.117 7.367 -11.437 1.00 0.00 H new ATOM 0 HB2 GLN A 84 8.346 4.778 -12.281 1.00 0.00 H new ATOM 0 HB3 GLN A 84 7.066 5.420 -13.291 1.00 0.00 H new ATOM 0 HG2 GLN A 84 9.595 6.915 -12.449 1.00 0.00 H new ATOM 0 HG3 GLN A 84 9.283 6.246 -14.038 1.00 0.00 H new ATOM 0 HE21 GLN A 84 9.676 9.022 -12.803 1.00 0.00 H new ATOM 0 HE22 GLN A 84 8.381 10.003 -13.495 1.00 0.00 H new ATOM 1427 N VAL A 85 5.565 4.617 -10.573 1.00 0.00 N ATOM 1428 CA VAL A 85 4.255 4.019 -10.381 1.00 0.00 C ATOM 1429 C VAL A 85 3.423 4.909 -9.455 1.00 0.00 C ATOM 1430 O VAL A 85 2.287 5.252 -9.776 1.00 0.00 O ATOM 1431 CB VAL A 85 4.405 2.588 -9.859 1.00 0.00 C ATOM 1432 CG1 VAL A 85 3.198 2.185 -9.010 1.00 0.00 C ATOM 1433 CG2 VAL A 85 4.618 1.604 -11.011 1.00 0.00 C ATOM 0 H VAL A 85 6.342 4.071 -10.200 1.00 0.00 H new ATOM 0 HA VAL A 85 3.723 3.951 -11.330 1.00 0.00 H new ATOM 0 HB VAL A 85 5.289 2.555 -9.222 1.00 0.00 H new ATOM 0 HG11 VAL A 85 3.330 1.164 -8.652 1.00 0.00 H new ATOM 0 HG12 VAL A 85 3.110 2.860 -8.159 1.00 0.00 H new ATOM 0 HG13 VAL A 85 2.293 2.243 -9.614 1.00 0.00 H new ATOM 0 HG21 VAL A 85 4.722 0.595 -10.613 1.00 0.00 H new ATOM 0 HG22 VAL A 85 3.762 1.642 -11.685 1.00 0.00 H new ATOM 0 HG23 VAL A 85 5.522 1.873 -11.557 1.00 0.00 H new ATOM 1443 N TYR A 86 4.022 5.257 -8.326 1.00 0.00 N ATOM 1444 CA TYR A 86 3.351 6.100 -7.352 1.00 0.00 C ATOM 1445 C TYR A 86 3.116 7.504 -7.911 1.00 0.00 C ATOM 1446 O TYR A 86 2.105 8.136 -7.609 1.00 0.00 O ATOM 1447 CB TYR A 86 4.296 6.193 -6.152 1.00 0.00 C ATOM 1448 CG TYR A 86 4.694 4.837 -5.567 1.00 0.00 C ATOM 1449 CD1 TYR A 86 3.758 3.829 -5.461 1.00 0.00 C ATOM 1450 CD2 TYR A 86 5.991 4.622 -5.144 1.00 0.00 C ATOM 1451 CE1 TYR A 86 4.133 2.553 -4.909 1.00 0.00 C ATOM 1452 CE2 TYR A 86 6.365 3.345 -4.593 1.00 0.00 C ATOM 1453 CZ TYR A 86 5.418 2.374 -4.503 1.00 0.00 C ATOM 1454 OH TYR A 86 5.772 1.169 -3.982 1.00 0.00 O ATOM 0 H TYR A 86 4.965 4.970 -8.064 1.00 0.00 H new ATOM 0 HA TYR A 86 2.380 5.682 -7.088 1.00 0.00 H new ATOM 0 HB2 TYR A 86 5.198 6.726 -6.453 1.00 0.00 H new ATOM 0 HB3 TYR A 86 3.820 6.788 -5.373 1.00 0.00 H new ATOM 0 HD1 TYR A 86 2.744 3.997 -5.792 1.00 0.00 H new ATOM 0 HD2 TYR A 86 6.724 5.411 -5.226 1.00 0.00 H new ATOM 0 HE1 TYR A 86 3.410 1.756 -4.820 1.00 0.00 H new ATOM 0 HE2 TYR A 86 7.376 3.163 -4.259 1.00 0.00 H new ATOM 0 HH TYR A 86 4.971 0.618 -3.859 1.00 0.00 H new ATOM 1464 N ARG A 87 4.067 7.952 -8.718 1.00 0.00 N ATOM 1465 CA ARG A 87 3.976 9.270 -9.323 1.00 0.00 C ATOM 1466 C ARG A 87 2.926 9.272 -10.436 1.00 0.00 C ATOM 1467 O ARG A 87 2.286 10.292 -10.688 1.00 0.00 O ATOM 1468 CB ARG A 87 5.324 9.704 -9.903 1.00 0.00 C ATOM 1469 CG ARG A 87 5.443 11.229 -9.932 1.00 0.00 C ATOM 1470 CD ARG A 87 5.542 11.743 -11.370 1.00 0.00 C ATOM 1471 NE ARG A 87 6.941 12.117 -11.678 1.00 0.00 N ATOM 1472 CZ ARG A 87 7.416 12.287 -12.919 1.00 0.00 C ATOM 1473 NH1 ARG A 87 6.609 12.119 -13.975 1.00 0.00 N ATOM 1474 NH2 ARG A 87 8.700 12.627 -13.104 1.00 0.00 N ATOM 0 H ARG A 87 4.904 7.425 -8.967 1.00 0.00 H new ATOM 0 HA ARG A 87 3.685 9.973 -8.543 1.00 0.00 H new ATOM 0 HB2 ARG A 87 6.133 9.284 -9.306 1.00 0.00 H new ATOM 0 HB3 ARG A 87 5.434 9.308 -10.912 1.00 0.00 H new ATOM 0 HG2 ARG A 87 4.578 11.674 -9.441 1.00 0.00 H new ATOM 0 HG3 ARG A 87 6.323 11.540 -9.369 1.00 0.00 H new ATOM 0 HD2 ARG A 87 5.201 10.975 -12.064 1.00 0.00 H new ATOM 0 HD3 ARG A 87 4.889 12.605 -11.503 1.00 0.00 H new ATOM 0 HE ARG A 87 7.583 12.254 -10.897 1.00 0.00 H new ATOM 0 HH11 ARG A 87 5.632 11.861 -13.834 1.00 0.00 H new ATOM 0 HH12 ARG A 87 6.971 12.249 -14.920 1.00 0.00 H new ATOM 0 HH21 ARG A 87 9.314 12.756 -12.300 1.00 0.00 H new ATOM 0 HH22 ARG A 87 9.062 12.757 -14.049 1.00 0.00 H new ATOM 1488 N ARG A 88 2.782 8.119 -11.072 1.00 0.00 N ATOM 1489 CA ARG A 88 1.820 7.975 -12.152 1.00 0.00 C ATOM 1490 C ARG A 88 0.401 8.219 -11.635 1.00 0.00 C ATOM 1491 O ARG A 88 -0.330 9.043 -12.183 1.00 0.00 O ATOM 1492 CB ARG A 88 1.895 6.579 -12.774 1.00 0.00 C ATOM 1493 CG ARG A 88 2.819 6.571 -13.993 1.00 0.00 C ATOM 1494 CD ARG A 88 2.224 5.734 -15.127 1.00 0.00 C ATOM 1495 NE ARG A 88 2.746 4.350 -15.061 1.00 0.00 N ATOM 1496 CZ ARG A 88 4.022 4.017 -15.297 1.00 0.00 C ATOM 1497 NH1 ARG A 88 4.914 4.964 -15.615 1.00 0.00 N ATOM 1498 NH2 ARG A 88 4.406 2.735 -15.215 1.00 0.00 N ATOM 0 H ARG A 88 3.315 7.276 -10.860 1.00 0.00 H new ATOM 0 HA ARG A 88 2.065 8.714 -12.915 1.00 0.00 H new ATOM 0 HB2 ARG A 88 2.258 5.866 -12.034 1.00 0.00 H new ATOM 0 HB3 ARG A 88 0.897 6.254 -13.068 1.00 0.00 H new ATOM 0 HG2 ARG A 88 2.982 7.592 -14.337 1.00 0.00 H new ATOM 0 HG3 ARG A 88 3.793 6.170 -13.713 1.00 0.00 H new ATOM 0 HD2 ARG A 88 1.137 5.725 -15.052 1.00 0.00 H new ATOM 0 HD3 ARG A 88 2.474 6.180 -16.090 1.00 0.00 H new ATOM 0 HE ARG A 88 2.093 3.604 -14.821 1.00 0.00 H new ATOM 0 HH11 ARG A 88 4.622 5.939 -15.678 1.00 0.00 H new ATOM 0 HH12 ARG A 88 5.885 4.710 -15.795 1.00 0.00 H new ATOM 0 HH21 ARG A 88 3.727 2.014 -14.973 1.00 0.00 H new ATOM 0 HH22 ARG A 88 5.377 2.481 -15.395 1.00 0.00 H new ATOM 1512 N PHE A 89 0.053 7.488 -10.586 1.00 0.00 N ATOM 1513 CA PHE A 89 -1.265 7.616 -9.989 1.00 0.00 C ATOM 1514 C PHE A 89 -1.342 8.849 -9.087 1.00 0.00 C ATOM 1515 O PHE A 89 -2.271 9.648 -9.199 1.00 0.00 O ATOM 1516 CB PHE A 89 -1.495 6.363 -9.140 1.00 0.00 C ATOM 1517 CG PHE A 89 -1.536 5.064 -9.947 1.00 0.00 C ATOM 1518 CD1 PHE A 89 -2.458 4.906 -10.934 1.00 0.00 C ATOM 1519 CD2 PHE A 89 -0.651 4.067 -9.677 1.00 0.00 C ATOM 1520 CE1 PHE A 89 -2.497 3.700 -11.683 1.00 0.00 C ATOM 1521 CE2 PHE A 89 -0.689 2.862 -10.426 1.00 0.00 C ATOM 1522 CZ PHE A 89 -1.611 2.703 -11.413 1.00 0.00 C ATOM 0 H PHE A 89 0.661 6.805 -10.134 1.00 0.00 H new ATOM 0 HA PHE A 89 -2.018 7.723 -10.770 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -0.703 6.291 -8.395 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -2.434 6.472 -8.597 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.161 5.698 -11.148 1.00 0.00 H new ATOM 0 HD2 PHE A 89 0.081 4.192 -8.893 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -3.230 3.574 -12.467 1.00 0.00 H new ATOM 0 HE2 PHE A 89 0.015 2.071 -10.212 1.00 0.00 H new ATOM 0 HZ PHE A 89 -1.640 1.786 -11.982 1.00 0.00 H new ATOM 1532 N TYR A 90 -0.354 8.966 -8.212 1.00 0.00 N ATOM 1533 CA TYR A 90 -0.298 10.089 -7.292 1.00 0.00 C ATOM 1534 C TYR A 90 0.555 11.224 -7.863 1.00 0.00 C ATOM 1535 O TYR A 90 1.572 10.977 -8.508 1.00 0.00 O ATOM 1536 CB TYR A 90 0.366 9.558 -6.020 1.00 0.00 C ATOM 1537 CG TYR A 90 0.149 8.063 -5.782 1.00 0.00 C ATOM 1538 CD1 TYR A 90 -1.062 7.482 -6.098 1.00 0.00 C ATOM 1539 CD2 TYR A 90 1.165 7.294 -5.250 1.00 0.00 C ATOM 1540 CE1 TYR A 90 -1.267 6.075 -5.874 1.00 0.00 C ATOM 1541 CE2 TYR A 90 0.960 5.886 -5.026 1.00 0.00 C ATOM 1542 CZ TYR A 90 -0.245 5.346 -5.349 1.00 0.00 C ATOM 1543 OH TYR A 90 -0.438 4.017 -5.138 1.00 0.00 O ATOM 0 H TYR A 90 0.414 8.301 -8.121 1.00 0.00 H new ATOM 0 HA TYR A 90 -1.297 10.486 -7.109 1.00 0.00 H new ATOM 0 HB2 TYR A 90 1.437 9.755 -6.072 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -0.019 10.111 -5.163 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -1.857 8.084 -6.514 1.00 0.00 H new ATOM 0 HD2 TYR A 90 2.113 7.748 -5.002 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -2.210 5.609 -6.117 1.00 0.00 H new ATOM 0 HE2 TYR A 90 1.746 5.273 -4.611 1.00 0.00 H new ATOM 0 HH TYR A 90 0.377 3.624 -4.761 1.00 0.00 H new ATOM 1553 N ASP A 91 0.108 12.444 -7.604 1.00 0.00 N ATOM 1554 CA ASP A 91 0.817 13.618 -8.084 1.00 0.00 C ATOM 1555 C ASP A 91 2.151 13.740 -7.345 1.00 0.00 C ATOM 1556 O ASP A 91 2.243 13.408 -6.164 1.00 0.00 O ATOM 1557 CB ASP A 91 0.013 14.893 -7.823 1.00 0.00 C ATOM 1558 CG ASP A 91 -1.507 14.717 -7.855 1.00 0.00 C ATOM 1559 OD1 ASP A 91 -2.067 14.427 -6.776 1.00 0.00 O ATOM 1560 OD2 ASP A 91 -2.073 14.876 -8.958 1.00 0.00 O ATOM 0 H ASP A 91 -0.736 12.645 -7.068 1.00 0.00 H new ATOM 0 HA ASP A 91 0.971 13.503 -9.157 1.00 0.00 H new ATOM 0 HB2 ASP A 91 0.297 15.291 -6.849 1.00 0.00 H new ATOM 0 HB3 ASP A 91 0.293 15.640 -8.566 1.00 0.00 H new ATOM 1565 N GLU A 92 3.152 14.219 -8.070 1.00 0.00 N ATOM 1566 CA GLU A 92 4.476 14.389 -7.497 1.00 0.00 C ATOM 1567 C GLU A 92 4.501 15.605 -6.569 1.00 0.00 C ATOM 1568 O GLU A 92 5.290 15.656 -5.627 1.00 0.00 O ATOM 1569 CB GLU A 92 5.535 14.515 -8.594 1.00 0.00 C ATOM 1570 CG GLU A 92 6.943 14.349 -8.018 1.00 0.00 C ATOM 1571 CD GLU A 92 7.981 14.220 -9.135 1.00 0.00 C ATOM 1572 OE1 GLU A 92 7.775 14.876 -10.179 1.00 0.00 O ATOM 1573 OE2 GLU A 92 8.956 13.469 -8.920 1.00 0.00 O ATOM 0 H GLU A 92 3.072 14.494 -9.049 1.00 0.00 H new ATOM 0 HA GLU A 92 4.713 13.503 -6.908 1.00 0.00 H new ATOM 0 HB2 GLU A 92 5.361 13.761 -9.361 1.00 0.00 H new ATOM 0 HB3 GLU A 92 5.448 15.488 -9.078 1.00 0.00 H new ATOM 0 HG2 GLU A 92 7.185 15.205 -7.389 1.00 0.00 H new ATOM 0 HG3 GLU A 92 6.977 13.465 -7.381 1.00 0.00 H new ATOM 1580 N GLU A 93 3.627 16.555 -6.868 1.00 0.00 N ATOM 1581 CA GLU A 93 3.538 17.768 -6.072 1.00 0.00 C ATOM 1582 C GLU A 93 2.862 17.474 -4.731 1.00 0.00 C ATOM 1583 O GLU A 93 3.415 17.774 -3.674 1.00 0.00 O ATOM 1584 CB GLU A 93 2.796 18.869 -6.831 1.00 0.00 C ATOM 1585 CG GLU A 93 3.588 20.178 -6.813 1.00 0.00 C ATOM 1586 CD GLU A 93 3.326 20.995 -8.079 1.00 0.00 C ATOM 1587 OE1 GLU A 93 2.366 21.795 -8.050 1.00 0.00 O ATOM 1588 OE2 GLU A 93 4.092 20.802 -9.048 1.00 0.00 O ATOM 0 H GLU A 93 2.974 16.509 -7.650 1.00 0.00 H new ATOM 0 HA GLU A 93 4.549 18.126 -5.876 1.00 0.00 H new ATOM 0 HB2 GLU A 93 2.628 18.556 -7.861 1.00 0.00 H new ATOM 0 HB3 GLU A 93 1.815 19.027 -6.382 1.00 0.00 H new ATOM 0 HG2 GLU A 93 3.312 20.762 -5.935 1.00 0.00 H new ATOM 0 HG3 GLU A 93 4.653 19.962 -6.730 1.00 0.00 H new ATOM 1595 N LYS A 94 1.675 16.892 -4.818 1.00 0.00 N ATOM 1596 CA LYS A 94 0.917 16.555 -3.625 1.00 0.00 C ATOM 1597 C LYS A 94 1.770 15.664 -2.719 1.00 0.00 C ATOM 1598 O LYS A 94 1.805 15.858 -1.505 1.00 0.00 O ATOM 1599 CB LYS A 94 -0.430 15.937 -4.003 1.00 0.00 C ATOM 1600 CG LYS A 94 -1.588 16.827 -3.547 1.00 0.00 C ATOM 1601 CD LYS A 94 -2.278 16.241 -2.314 1.00 0.00 C ATOM 1602 CE LYS A 94 -3.800 16.260 -2.475 1.00 0.00 C ATOM 1603 NZ LYS A 94 -4.459 15.830 -1.222 1.00 0.00 N ATOM 0 H LYS A 94 1.219 16.645 -5.697 1.00 0.00 H new ATOM 0 HA LYS A 94 0.680 17.455 -3.057 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -0.479 15.795 -5.083 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -0.523 14.951 -3.547 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -1.216 17.826 -3.319 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -2.310 16.933 -4.356 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -1.938 15.217 -2.155 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -1.995 16.812 -1.429 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -4.131 17.264 -2.741 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -4.093 15.601 -3.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -5.491 15.849 -1.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -4.157 14.864 -0.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -4.193 16.475 -0.451 1.00 0.00 H new ATOM 1617 N GLU A 95 2.437 14.705 -3.345 1.00 0.00 N ATOM 1618 CA GLU A 95 3.287 13.783 -2.611 1.00 0.00 C ATOM 1619 C GLU A 95 4.457 14.534 -1.972 1.00 0.00 C ATOM 1620 O GLU A 95 4.729 14.372 -0.783 1.00 0.00 O ATOM 1621 CB GLU A 95 3.789 12.658 -3.519 1.00 0.00 C ATOM 1622 CG GLU A 95 4.272 11.463 -2.695 1.00 0.00 C ATOM 1623 CD GLU A 95 5.795 11.476 -2.551 1.00 0.00 C ATOM 1624 OE1 GLU A 95 6.464 11.213 -3.573 1.00 0.00 O ATOM 1625 OE2 GLU A 95 6.256 11.748 -1.421 1.00 0.00 O ATOM 0 H GLU A 95 2.406 14.547 -4.352 1.00 0.00 H new ATOM 0 HA GLU A 95 2.695 13.328 -1.817 1.00 0.00 H new ATOM 0 HB2 GLU A 95 2.989 12.343 -4.189 1.00 0.00 H new ATOM 0 HB3 GLU A 95 4.603 13.026 -4.144 1.00 0.00 H new ATOM 0 HG2 GLU A 95 3.810 11.486 -1.708 1.00 0.00 H new ATOM 0 HG3 GLU A 95 3.956 10.536 -3.173 1.00 0.00 H new ATOM 1632 N LYS A 96 5.118 15.341 -2.789 1.00 0.00 N ATOM 1633 CA LYS A 96 6.252 16.118 -2.318 1.00 0.00 C ATOM 1634 C LYS A 96 5.778 17.112 -1.256 1.00 0.00 C ATOM 1635 O LYS A 96 6.590 17.686 -0.532 1.00 0.00 O ATOM 1636 CB LYS A 96 6.977 16.774 -3.495 1.00 0.00 C ATOM 1637 CG LYS A 96 7.993 15.814 -4.117 1.00 0.00 C ATOM 1638 CD LYS A 96 9.369 15.974 -3.466 1.00 0.00 C ATOM 1639 CE LYS A 96 10.062 17.248 -3.954 1.00 0.00 C ATOM 1640 NZ LYS A 96 11.348 17.441 -3.248 1.00 0.00 N ATOM 0 H LYS A 96 4.890 15.474 -3.774 1.00 0.00 H new ATOM 0 HA LYS A 96 6.987 15.469 -1.842 1.00 0.00 H new ATOM 0 HB2 LYS A 96 6.252 17.080 -4.249 1.00 0.00 H new ATOM 0 HB3 LYS A 96 7.485 17.677 -3.156 1.00 0.00 H new ATOM 0 HG2 LYS A 96 7.648 14.787 -3.998 1.00 0.00 H new ATOM 0 HG3 LYS A 96 8.069 16.003 -5.188 1.00 0.00 H new ATOM 0 HD2 LYS A 96 9.261 16.007 -2.382 1.00 0.00 H new ATOM 0 HD3 LYS A 96 9.988 15.107 -3.698 1.00 0.00 H new ATOM 0 HE2 LYS A 96 10.236 17.186 -5.028 1.00 0.00 H new ATOM 0 HE3 LYS A 96 9.415 18.109 -3.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 11.805 18.310 -3.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 11.174 17.521 -2.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 11.970 16.627 -3.430 1.00 0.00 H new ATOM 1654 N LYS A 97 4.466 17.285 -1.196 1.00 0.00 N ATOM 1655 CA LYS A 97 3.875 18.199 -0.235 1.00 0.00 C ATOM 1656 C LYS A 97 3.910 17.563 1.156 1.00 0.00 C ATOM 1657 O LYS A 97 4.502 18.117 2.081 1.00 0.00 O ATOM 1658 CB LYS A 97 2.473 18.617 -0.684 1.00 0.00 C ATOM 1659 CG LYS A 97 2.043 19.917 -0.002 1.00 0.00 C ATOM 1660 CD LYS A 97 0.578 19.850 0.432 1.00 0.00 C ATOM 1661 CE LYS A 97 -0.287 20.792 -0.408 1.00 0.00 C ATOM 1662 NZ LYS A 97 -1.608 20.990 0.229 1.00 0.00 N ATOM 0 H LYS A 97 3.795 16.807 -1.798 1.00 0.00 H new ATOM 0 HA LYS A 97 4.455 19.120 -0.180 1.00 0.00 H new ATOM 0 HB2 LYS A 97 2.458 18.748 -1.766 1.00 0.00 H new ATOM 0 HB3 LYS A 97 1.761 17.826 -0.448 1.00 0.00 H new ATOM 0 HG2 LYS A 97 2.675 20.103 0.866 1.00 0.00 H new ATOM 0 HG3 LYS A 97 2.186 20.755 -0.685 1.00 0.00 H new ATOM 0 HD2 LYS A 97 0.212 18.828 0.332 1.00 0.00 H new ATOM 0 HD3 LYS A 97 0.495 20.117 1.486 1.00 0.00 H new ATOM 0 HE2 LYS A 97 0.216 21.752 -0.522 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -0.417 20.380 -1.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -2.182 21.632 -0.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -2.093 20.074 0.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -1.479 21.404 1.174 1.00 0.00 H new ATOM 1676 N TYR A 98 3.269 16.408 1.260 1.00 0.00 N ATOM 1677 CA TYR A 98 3.220 15.691 2.523 1.00 0.00 C ATOM 1678 C TYR A 98 4.290 14.598 2.575 1.00 0.00 C ATOM 1679 O TYR A 98 5.103 14.565 3.497 1.00 0.00 O ATOM 1680 CB TYR A 98 1.838 15.037 2.583 1.00 0.00 C ATOM 1681 CG TYR A 98 0.690 16.028 2.788 1.00 0.00 C ATOM 1682 CD1 TYR A 98 0.669 16.838 3.905 1.00 0.00 C ATOM 1683 CD2 TYR A 98 -0.325 16.110 1.857 1.00 0.00 C ATOM 1684 CE1 TYR A 98 -0.412 17.770 4.099 1.00 0.00 C ATOM 1685 CE2 TYR A 98 -1.406 17.042 2.050 1.00 0.00 C ATOM 1686 CZ TYR A 98 -1.396 17.826 3.161 1.00 0.00 C ATOM 1687 OH TYR A 98 -2.417 18.706 3.344 1.00 0.00 O ATOM 0 H TYR A 98 2.779 15.951 0.491 1.00 0.00 H new ATOM 0 HA TYR A 98 3.398 16.370 3.357 1.00 0.00 H new ATOM 0 HB2 TYR A 98 1.668 14.485 1.658 1.00 0.00 H new ATOM 0 HB3 TYR A 98 1.826 14.310 3.395 1.00 0.00 H new ATOM 0 HD1 TYR A 98 1.463 16.773 4.634 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -0.309 15.475 0.983 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -0.441 18.410 4.969 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -2.206 17.116 1.329 1.00 0.00 H new ATOM 0 HH TYR A 98 -3.046 18.638 2.596 1.00 0.00 H new ATOM 1697 N GLY A 99 4.255 13.732 1.573 1.00 0.00 N ATOM 1698 CA GLY A 99 5.211 12.641 1.493 1.00 0.00 C ATOM 1699 C GLY A 99 4.501 11.304 1.275 1.00 0.00 C ATOM 1700 O GLY A 99 3.386 11.266 0.758 1.00 0.00 O ATOM 0 H GLY A 99 3.579 13.764 0.810 1.00 0.00 H new ATOM 0 HA2 GLY A 99 5.909 12.824 0.676 1.00 0.00 H new ATOM 0 HA3 GLY A 99 5.798 12.599 2.410 1.00 0.00 H new ATOM 1704 N VAL A 100 5.176 10.239 1.681 1.00 0.00 N ATOM 1705 CA VAL A 100 4.624 8.903 1.536 1.00 0.00 C ATOM 1706 C VAL A 100 4.327 8.325 2.922 1.00 0.00 C ATOM 1707 O VAL A 100 4.934 8.733 3.911 1.00 0.00 O ATOM 1708 CB VAL A 100 5.575 8.029 0.716 1.00 0.00 C ATOM 1709 CG1 VAL A 100 4.849 6.804 0.156 1.00 0.00 C ATOM 1710 CG2 VAL A 100 6.233 8.837 -0.405 1.00 0.00 C ATOM 0 H VAL A 100 6.101 10.274 2.110 1.00 0.00 H new ATOM 0 HA VAL A 100 3.682 8.937 0.989 1.00 0.00 H new ATOM 0 HB VAL A 100 6.363 7.676 1.381 1.00 0.00 H new ATOM 0 HG11 VAL A 100 5.548 6.200 -0.423 1.00 0.00 H new ATOM 0 HG12 VAL A 100 4.450 6.210 0.978 1.00 0.00 H new ATOM 0 HG13 VAL A 100 4.031 7.128 -0.487 1.00 0.00 H new ATOM 0 HG21 VAL A 100 6.904 8.192 -0.973 1.00 0.00 H new ATOM 0 HG22 VAL A 100 5.464 9.233 -1.068 1.00 0.00 H new ATOM 0 HG23 VAL A 100 6.801 9.662 0.026 1.00 0.00 H new ATOM 1720 N VAL A 101 3.394 7.386 2.949 1.00 0.00 N ATOM 1721 CA VAL A 101 3.009 6.748 4.197 1.00 0.00 C ATOM 1722 C VAL A 101 2.892 5.239 3.979 1.00 0.00 C ATOM 1723 O VAL A 101 1.957 4.772 3.330 1.00 0.00 O ATOM 1724 CB VAL A 101 1.720 7.377 4.730 1.00 0.00 C ATOM 1725 CG1 VAL A 101 0.633 7.396 3.653 1.00 0.00 C ATOM 1726 CG2 VAL A 101 1.235 6.651 5.986 1.00 0.00 C ATOM 0 H VAL A 101 2.893 7.051 2.126 1.00 0.00 H new ATOM 0 HA VAL A 101 3.772 6.908 4.959 1.00 0.00 H new ATOM 0 HB VAL A 101 1.939 8.409 5.003 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -0.272 7.848 4.058 1.00 0.00 H new ATOM 0 HG12 VAL A 101 0.978 7.978 2.798 1.00 0.00 H new ATOM 0 HG13 VAL A 101 0.418 6.376 3.335 1.00 0.00 H new ATOM 0 HG21 VAL A 101 0.318 7.118 6.345 1.00 0.00 H new ATOM 0 HG22 VAL A 101 1.042 5.605 5.750 1.00 0.00 H new ATOM 0 HG23 VAL A 101 2.000 6.713 6.760 1.00 0.00 H new ATOM 1736 N ALA A 102 3.855 4.516 4.533 1.00 0.00 N ATOM 1737 CA ALA A 102 3.872 3.069 4.407 1.00 0.00 C ATOM 1738 C ALA A 102 2.915 2.461 5.434 1.00 0.00 C ATOM 1739 O ALA A 102 3.273 2.298 6.600 1.00 0.00 O ATOM 1740 CB ALA A 102 5.305 2.559 4.570 1.00 0.00 C ATOM 0 H ALA A 102 4.629 4.906 5.070 1.00 0.00 H new ATOM 0 HA ALA A 102 3.529 2.765 3.418 1.00 0.00 H new ATOM 0 HB1 ALA A 102 5.318 1.473 4.475 1.00 0.00 H new ATOM 0 HB2 ALA A 102 5.937 2.998 3.798 1.00 0.00 H new ATOM 0 HB3 ALA A 102 5.682 2.842 5.553 1.00 0.00 H new ATOM 1746 N ILE A 103 1.718 2.142 4.965 1.00 0.00 N ATOM 1747 CA ILE A 103 0.707 1.556 5.829 1.00 0.00 C ATOM 1748 C ILE A 103 0.751 0.032 5.696 1.00 0.00 C ATOM 1749 O ILE A 103 0.429 -0.512 4.640 1.00 0.00 O ATOM 1750 CB ILE A 103 -0.667 2.160 5.533 1.00 0.00 C ATOM 1751 CG1 ILE A 103 -0.680 3.662 5.826 1.00 0.00 C ATOM 1752 CG2 ILE A 103 -1.768 1.418 6.293 1.00 0.00 C ATOM 1753 CD1 ILE A 103 -1.006 4.464 4.564 1.00 0.00 C ATOM 0 H ILE A 103 1.425 2.278 3.997 1.00 0.00 H new ATOM 0 HA ILE A 103 0.914 1.792 6.873 1.00 0.00 H new ATOM 0 HB ILE A 103 -0.872 2.037 4.469 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -1.417 3.879 6.599 1.00 0.00 H new ATOM 0 HG13 ILE A 103 0.291 3.969 6.215 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -2.734 1.868 6.065 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -1.775 0.370 5.992 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -1.580 1.487 7.364 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -1.009 5.528 4.800 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -0.254 4.263 3.801 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -1.988 4.172 4.191 1.00 0.00 H new ATOM 1765 N GLU A 104 1.151 -0.614 6.782 1.00 0.00 N ATOM 1766 CA GLU A 104 1.240 -2.064 6.799 1.00 0.00 C ATOM 1767 C GLU A 104 -0.156 -2.683 6.705 1.00 0.00 C ATOM 1768 O GLU A 104 -0.921 -2.647 7.667 1.00 0.00 O ATOM 1769 CB GLU A 104 1.973 -2.552 8.050 1.00 0.00 C ATOM 1770 CG GLU A 104 2.720 -3.859 7.773 1.00 0.00 C ATOM 1771 CD GLU A 104 3.771 -4.129 8.851 1.00 0.00 C ATOM 1772 OE1 GLU A 104 3.423 -3.958 10.039 1.00 0.00 O ATOM 1773 OE2 GLU A 104 4.900 -4.500 8.463 1.00 0.00 O ATOM 0 H GLU A 104 1.417 -0.160 7.656 1.00 0.00 H new ATOM 0 HA GLU A 104 1.817 -2.384 5.931 1.00 0.00 H new ATOM 0 HB2 GLU A 104 2.677 -1.790 8.384 1.00 0.00 H new ATOM 0 HB3 GLU A 104 1.258 -2.702 8.859 1.00 0.00 H new ATOM 0 HG2 GLU A 104 2.011 -4.686 7.736 1.00 0.00 H new ATOM 0 HG3 GLU A 104 3.201 -3.807 6.796 1.00 0.00 H new ATOM 1780 N ILE A 105 -0.445 -3.237 5.536 1.00 0.00 N ATOM 1781 CA ILE A 105 -1.735 -3.863 5.304 1.00 0.00 C ATOM 1782 C ILE A 105 -1.608 -5.374 5.509 1.00 0.00 C ATOM 1783 O ILE A 105 -0.560 -5.956 5.232 1.00 0.00 O ATOM 1784 CB ILE A 105 -2.280 -3.473 3.928 1.00 0.00 C ATOM 1785 CG1 ILE A 105 -1.325 -3.911 2.816 1.00 0.00 C ATOM 1786 CG2 ILE A 105 -2.585 -1.975 3.864 1.00 0.00 C ATOM 1787 CD1 ILE A 105 -1.293 -5.436 2.690 1.00 0.00 C ATOM 0 H ILE A 105 0.192 -3.265 4.740 1.00 0.00 H new ATOM 0 HA ILE A 105 -2.468 -3.503 6.026 1.00 0.00 H new ATOM 0 HB ILE A 105 -3.221 -4.001 3.771 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -1.637 -3.471 1.869 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -0.322 -3.539 3.025 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -2.971 -1.724 2.876 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -3.330 -1.723 4.619 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -1.672 -1.410 4.051 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -0.607 -5.721 1.893 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -0.957 -5.872 3.631 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -2.293 -5.803 2.457 1.00 0.00 H new ATOM 1799 N GLU A 106 -2.690 -5.966 5.992 1.00 0.00 N ATOM 1800 CA GLU A 106 -2.713 -7.398 6.237 1.00 0.00 C ATOM 1801 C GLU A 106 -4.129 -7.946 6.049 1.00 0.00 C ATOM 1802 O GLU A 106 -5.011 -7.692 6.868 1.00 0.00 O ATOM 1803 CB GLU A 106 -2.181 -7.724 7.634 1.00 0.00 C ATOM 1804 CG GLU A 106 -2.641 -9.111 8.087 1.00 0.00 C ATOM 1805 CD GLU A 106 -1.582 -9.780 8.965 1.00 0.00 C ATOM 1806 OE1 GLU A 106 -0.418 -9.332 8.891 1.00 0.00 O ATOM 1807 OE2 GLU A 106 -1.961 -10.726 9.690 1.00 0.00 O ATOM 0 H GLU A 106 -3.557 -5.480 6.220 1.00 0.00 H new ATOM 0 HA GLU A 106 -2.058 -7.881 5.512 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -1.092 -7.681 7.631 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -2.528 -6.972 8.343 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -3.576 -9.025 8.640 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -2.842 -9.734 7.216 1.00 0.00 H new ATOM 1814 N PRO A 107 -4.307 -8.708 4.936 1.00 0.00 N ATOM 1815 CA PRO A 107 -5.601 -9.294 4.629 1.00 0.00 C ATOM 1816 C PRO A 107 -5.889 -10.491 5.537 1.00 0.00 C ATOM 1817 O PRO A 107 -5.136 -11.463 5.546 1.00 0.00 O ATOM 1818 CB PRO A 107 -5.525 -9.668 3.158 1.00 0.00 C ATOM 1819 CG PRO A 107 -4.045 -9.707 2.814 1.00 0.00 C ATOM 1820 CD PRO A 107 -3.286 -9.029 3.944 1.00 0.00 C ATOM 0 HA PRO A 107 -6.428 -8.607 4.808 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -5.994 -10.635 2.976 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -6.050 -8.938 2.542 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -3.708 -10.737 2.692 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -3.859 -9.197 1.869 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -2.523 -9.687 4.360 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -2.776 -8.131 3.596 1.00 0.00 H new ATOM 1828 N LEU A 108 -6.982 -10.382 6.278 1.00 0.00 N ATOM 1829 CA LEU A 108 -7.379 -11.444 7.187 1.00 0.00 C ATOM 1830 C LEU A 108 -8.411 -12.339 6.498 1.00 0.00 C ATOM 1831 O LEU A 108 -9.604 -12.253 6.787 1.00 0.00 O ATOM 1832 CB LEU A 108 -7.862 -10.859 8.516 1.00 0.00 C ATOM 1833 CG LEU A 108 -8.725 -9.599 8.420 1.00 0.00 C ATOM 1834 CD1 LEU A 108 -9.881 -9.649 9.421 1.00 0.00 C ATOM 1835 CD2 LEU A 108 -7.874 -8.338 8.589 1.00 0.00 C ATOM 0 H LEU A 108 -7.605 -9.574 6.267 1.00 0.00 H new ATOM 0 HA LEU A 108 -6.524 -12.074 7.434 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -8.431 -11.626 9.042 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -6.990 -10.632 9.129 1.00 0.00 H new ATOM 0 HG LEU A 108 -9.164 -9.560 7.423 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -10.479 -8.742 9.332 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -10.506 -10.517 9.212 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -9.483 -9.724 10.433 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -8.511 -7.457 8.517 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -7.388 -8.355 9.564 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -7.116 -8.303 7.806 1.00 0.00 H new ATOM 1847 N GLU A 109 -7.915 -13.179 5.602 1.00 0.00 N ATOM 1848 CA GLU A 109 -8.779 -14.089 4.870 1.00 0.00 C ATOM 1849 C GLU A 109 -8.049 -15.405 4.591 1.00 0.00 C ATOM 1850 O GLU A 109 -7.282 -15.882 5.425 1.00 0.00 O ATOM 1851 CB GLU A 109 -9.274 -13.450 3.571 1.00 0.00 C ATOM 1852 CG GLU A 109 -10.650 -13.995 3.182 1.00 0.00 C ATOM 1853 CD GLU A 109 -11.747 -12.969 3.471 1.00 0.00 C ATOM 1854 OE1 GLU A 109 -12.130 -12.865 4.656 1.00 0.00 O ATOM 1855 OE2 GLU A 109 -12.179 -12.311 2.500 1.00 0.00 O ATOM 0 H GLU A 109 -6.925 -13.249 5.366 1.00 0.00 H new ATOM 0 HA GLU A 109 -9.652 -14.304 5.486 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -9.328 -12.368 3.691 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -8.561 -13.647 2.770 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -10.657 -14.252 2.123 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -10.851 -14.913 3.734 1.00 0.00 H new ATOM 1862 N TYR A 110 -8.313 -15.953 3.414 1.00 0.00 N ATOM 1863 CA TYR A 110 -7.691 -17.203 3.014 1.00 0.00 C ATOM 1864 C TYR A 110 -6.444 -16.948 2.165 1.00 0.00 C ATOM 1865 O TYR A 110 -5.954 -15.822 2.097 1.00 0.00 O ATOM 1866 CB TYR A 110 -8.730 -17.939 2.165 1.00 0.00 C ATOM 1867 CG TYR A 110 -8.674 -19.462 2.295 1.00 0.00 C ATOM 1868 CD1 TYR A 110 -8.989 -20.064 3.497 1.00 0.00 C ATOM 1869 CD2 TYR A 110 -8.310 -20.235 1.212 1.00 0.00 C ATOM 1870 CE1 TYR A 110 -8.937 -21.498 3.620 1.00 0.00 C ATOM 1871 CE2 TYR A 110 -8.257 -21.669 1.334 1.00 0.00 C ATOM 1872 CZ TYR A 110 -8.574 -22.229 2.532 1.00 0.00 C ATOM 1873 OH TYR A 110 -8.524 -23.583 2.648 1.00 0.00 O ATOM 0 H TYR A 110 -8.950 -15.554 2.724 1.00 0.00 H new ATOM 0 HA TYR A 110 -7.385 -17.776 3.889 1.00 0.00 H new ATOM 0 HB2 TYR A 110 -9.725 -17.597 2.450 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -8.587 -17.668 1.119 1.00 0.00 H new ATOM 0 HD1 TYR A 110 -9.274 -19.459 4.345 1.00 0.00 H new ATOM 0 HD2 TYR A 110 -8.064 -19.764 0.272 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -9.181 -21.982 4.554 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -7.972 -22.285 0.494 1.00 0.00 H new ATOM 0 HH TYR A 110 -8.251 -23.975 1.792 1.00 0.00 H new TER 1883 TYR A 110