USER MOD reduce.3.24.130724 H: found=0, std=0, add=833, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 832 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 104 SER OG : rot -174:sc= -0.124 USER MOD Set 1.2: A 107 SER OG : rot -27:sc= 1.78 USER MOD Set 2.1: A 49 TYR OH : rot 2:sc= 1.3 USER MOD Set 2.2: A 81 HIS : no HD1:sc= 0.661 K(o=2,f=-5.4!) USER MOD Set 2.3: A 83 HIS : no HD1:sc=-0.000361 K(o=2,f=0.4) USER MOD Set 3.1: A 23 MET CE :methyl 161:sc=-0.00037 (180deg=-0.43) USER MOD Set 3.2: A 109 CYS SG : rot -17:sc= 0.67 USER MOD Set 4.1: A 4 MET CE :methyl -173:sc= -0.274 (180deg=-0.382) USER MOD Set 4.2: A 35 THR OG1 : rot 55:sc= 0.464 USER MOD Single : A 5 GLN : amide:sc=-0.00124 X(o=-0.0012,f=-0.11) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc=-0.00961 K(o=-0.0096,f=-1) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -0.135 X(o=-0.14,f=-0.14) USER MOD Single : A 17 ASN : amide:sc= -0.0379 K(o=-0.038,f=-1.7!) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.521 K(o=-0.52,f=-3.2!) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 MET CE :methyl -178:sc= -0.79 (180deg=-0.853) USER MOD Single : A 47 THR OG1 : rot -88:sc= 1.55 USER MOD Single : A 53 LYS NZ :NH3+ -178:sc= 0.921 (180deg=0.916) USER MOD Single : A 55 GLN : amide:sc= 0.776 K(o=0.78,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot -82:sc= 0.683 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 171:sc= 1.18 USER MOD Single : A 68 SER OG : rot -154:sc= 1.28 USER MOD Single : A 70 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 72 MET CE :methyl 159:sc= -0.0822 (180deg=-0.566) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.136 USER MOD Single : A 77 ASN : amide:sc= -0.531 K(o=-0.53,f=-3.5!) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 89 HIS : no HD1:sc= -0.0199 X(o=-0.02,f=-0.38) USER MOD Single : A 91 CYS SG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 108:sc= 1.26 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.396! USER MOD Single : A 100 SER OG : rot 180:sc= -0.125 USER MOD Single : A 106 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 111 SER OG : rot 57:sc= 1.24 USER MOD Single : A 114 SER OG : rot 72:sc= 0.658 USER MOD Single : A 115 MET CE :methyl 162:sc= -0.0449 (180deg=-0.377) USER MOD Single : A 117 SER OG : rot -17:sc= 0.376 USER MOD Single : A 118 SER OG : rot 87:sc= 1.23 USER MOD ----------------------------------------------------------------- ATOM 41 N MET A 4 1.112 -6.711 -18.083 1.00 0.00 N ATOM 42 CA MET A 4 1.285 -6.287 -16.705 1.00 0.00 C ATOM 43 C MET A 4 1.432 -4.778 -16.656 1.00 0.00 C ATOM 44 O MET A 4 0.791 -4.108 -15.844 1.00 0.00 O ATOM 45 CB MET A 4 2.508 -6.951 -16.094 1.00 0.00 C ATOM 46 CG MET A 4 2.761 -6.547 -14.657 1.00 0.00 C ATOM 47 SD MET A 4 3.662 -4.992 -14.488 1.00 0.00 S ATOM 48 CE MET A 4 5.299 -5.443 -15.057 1.00 0.00 C ATOM 0 HA MET A 4 0.409 -6.585 -16.129 1.00 0.00 H new ATOM 0 HB2 MET A 4 2.386 -8.033 -16.143 1.00 0.00 H new ATOM 0 HB3 MET A 4 3.384 -6.702 -16.693 1.00 0.00 H new ATOM 0 HG2 MET A 4 1.806 -6.461 -14.139 1.00 0.00 H new ATOM 0 HG3 MET A 4 3.323 -7.338 -14.160 1.00 0.00 H new ATOM 0 HE1 MET A 4 5.984 -4.612 -14.888 1.00 0.00 H new ATOM 0 HE2 MET A 4 5.647 -6.318 -14.508 1.00 0.00 H new ATOM 0 HE3 MET A 4 5.263 -5.674 -16.122 1.00 0.00 H new ATOM 58 N GLN A 5 2.310 -4.277 -17.524 1.00 0.00 N ATOM 59 CA GLN A 5 2.601 -2.861 -17.651 1.00 0.00 C ATOM 60 C GLN A 5 1.363 -2.131 -18.142 1.00 0.00 C ATOM 61 O GLN A 5 1.093 -1.022 -17.685 1.00 0.00 O ATOM 62 CB GLN A 5 3.774 -2.643 -18.613 1.00 0.00 C ATOM 63 CG GLN A 5 5.111 -3.128 -18.083 1.00 0.00 C ATOM 64 CD GLN A 5 6.245 -2.995 -19.087 1.00 0.00 C ATOM 65 OE1 GLN A 5 6.120 -3.286 -20.283 1.00 0.00 O ATOM 66 NE2 GLN A 5 7.389 -2.538 -18.590 1.00 0.00 N ATOM 0 H GLN A 5 2.845 -4.860 -18.168 1.00 0.00 H new ATOM 0 HA GLN A 5 2.884 -2.463 -16.676 1.00 0.00 H new ATOM 0 HB2 GLN A 5 3.560 -3.155 -19.551 1.00 0.00 H new ATOM 0 HB3 GLN A 5 3.850 -1.580 -18.841 1.00 0.00 H new ATOM 0 HG2 GLN A 5 5.363 -2.564 -17.185 1.00 0.00 H new ATOM 0 HG3 GLN A 5 5.018 -4.173 -17.788 1.00 0.00 H new ATOM 0 HE21 GLN A 5 7.458 -2.307 -17.599 1.00 0.00 H new ATOM 0 HE22 GLN A 5 8.198 -2.418 -19.200 1.00 0.00 H new ATOM 75 N LYS A 6 0.632 -2.752 -19.069 1.00 0.00 N ATOM 76 CA LYS A 6 -0.607 -2.189 -19.580 1.00 0.00 C ATOM 77 C LYS A 6 -1.634 -2.084 -18.464 1.00 0.00 C ATOM 78 O LYS A 6 -2.336 -1.077 -18.394 1.00 0.00 O ATOM 79 CB LYS A 6 -1.155 -3.045 -20.720 1.00 0.00 C ATOM 80 CG LYS A 6 -0.339 -2.986 -22.004 1.00 0.00 C ATOM 81 CD LYS A 6 -0.926 -3.891 -23.078 1.00 0.00 C ATOM 82 CE LYS A 6 -0.092 -3.855 -24.351 1.00 0.00 C ATOM 83 NZ LYS A 6 -0.648 -4.747 -25.407 1.00 0.00 N ATOM 0 H LYS A 6 0.884 -3.651 -19.480 1.00 0.00 H new ATOM 0 HA LYS A 6 -0.400 -1.191 -19.965 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -1.208 -4.081 -20.386 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -2.175 -2.727 -20.938 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -0.306 -1.960 -22.369 1.00 0.00 H new ATOM 0 HG3 LYS A 6 0.689 -3.284 -21.797 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -0.979 -4.914 -22.705 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -1.946 -3.579 -23.301 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -0.047 -2.833 -24.726 1.00 0.00 H new ATOM 0 HE3 LYS A 6 0.931 -4.156 -24.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -0.051 -4.693 -26.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -0.667 -5.727 -25.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -1.615 -4.445 -25.643 1.00 0.00 H new ATOM 97 N ARG A 7 -1.723 -3.112 -17.612 1.00 0.00 N ATOM 98 CA ARG A 7 -2.622 -3.090 -16.465 1.00 0.00 C ATOM 99 C ARG A 7 -2.234 -1.954 -15.538 1.00 0.00 C ATOM 100 O ARG A 7 -3.129 -1.271 -15.046 1.00 0.00 O ATOM 101 CB ARG A 7 -2.627 -4.414 -15.716 1.00 0.00 C ATOM 102 CG ARG A 7 -3.600 -4.470 -14.542 1.00 0.00 C ATOM 103 CD ARG A 7 -3.666 -5.828 -13.942 1.00 0.00 C ATOM 104 NE ARG A 7 -4.506 -5.883 -12.749 1.00 0.00 N ATOM 105 CZ ARG A 7 -5.840 -6.076 -12.741 1.00 0.00 C ATOM 106 NH1 ARG A 7 -6.481 -6.227 -13.881 1.00 0.00 N ATOM 107 NH2 ARG A 7 -6.519 -6.121 -11.604 1.00 0.00 N ATOM 0 H ARG A 7 -1.179 -3.970 -17.701 1.00 0.00 H new ATOM 0 HA ARG A 7 -3.635 -2.931 -16.834 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -2.874 -5.212 -16.416 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -1.621 -4.613 -15.348 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -3.293 -3.752 -13.782 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -4.593 -4.173 -14.879 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -4.050 -6.529 -14.683 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -2.658 -6.156 -13.686 1.00 0.00 H new ATOM 0 HE ARG A 7 -4.045 -5.766 -11.847 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -5.968 -6.198 -14.762 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -7.490 -6.373 -13.883 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -6.032 -6.009 -10.715 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -7.528 -6.268 -11.618 1.00 0.00 H new ATOM 121 N LEU A 8 -0.934 -1.766 -15.289 1.00 0.00 N ATOM 122 CA LEU A 8 -0.495 -0.626 -14.494 1.00 0.00 C ATOM 123 C LEU A 8 -0.966 0.678 -15.074 1.00 0.00 C ATOM 124 O LEU A 8 -1.488 1.497 -14.324 1.00 0.00 O ATOM 125 CB LEU A 8 1.021 -0.524 -14.351 1.00 0.00 C ATOM 126 CG LEU A 8 1.421 0.776 -13.637 1.00 0.00 C ATOM 127 CD1 LEU A 8 0.798 0.824 -12.255 1.00 0.00 C ATOM 128 CD2 LEU A 8 2.930 0.858 -13.532 1.00 0.00 C ATOM 0 H LEU A 8 -0.186 -2.376 -15.620 1.00 0.00 H new ATOM 0 HA LEU A 8 -0.938 -0.804 -13.514 1.00 0.00 H new ATOM 0 HB2 LEU A 8 1.395 -1.381 -13.791 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.486 -0.560 -15.336 1.00 0.00 H new ATOM 0 HG LEU A 8 1.058 1.627 -14.214 1.00 0.00 H new ATOM 0 HD11 LEU A 8 1.088 1.749 -11.757 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.288 0.784 -12.344 1.00 0.00 H new ATOM 0 HD13 LEU A 8 1.146 -0.027 -11.669 1.00 0.00 H new ATOM 0 HD21 LEU A 8 3.210 1.781 -13.025 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.302 0.005 -12.964 1.00 0.00 H new ATOM 0 HD23 LEU A 8 3.365 0.846 -14.531 1.00 0.00 H new ATOM 140 N GLN A 9 -0.770 0.872 -16.375 1.00 0.00 N ATOM 141 CA GLN A 9 -1.191 2.093 -17.041 1.00 0.00 C ATOM 142 C GLN A 9 -2.687 2.305 -16.881 1.00 0.00 C ATOM 143 O GLN A 9 -3.122 3.436 -16.664 1.00 0.00 O ATOM 144 CB GLN A 9 -0.819 2.024 -18.520 1.00 0.00 C ATOM 145 CG GLN A 9 0.674 2.102 -18.782 1.00 0.00 C ATOM 146 CD GLN A 9 1.014 1.871 -20.242 1.00 0.00 C ATOM 147 OE1 GLN A 9 0.254 1.241 -20.982 1.00 0.00 O ATOM 148 NE2 GLN A 9 2.164 2.382 -20.666 1.00 0.00 N ATOM 0 H GLN A 9 -0.320 0.193 -16.989 1.00 0.00 H new ATOM 0 HA GLN A 9 -0.679 2.939 -16.582 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -1.203 1.094 -18.938 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -1.314 2.839 -19.048 1.00 0.00 H new ATOM 0 HG2 GLN A 9 1.044 3.080 -18.475 1.00 0.00 H new ATOM 0 HG3 GLN A 9 1.188 1.361 -18.170 1.00 0.00 H new ATOM 0 HE21 GLN A 9 2.763 2.896 -20.020 1.00 0.00 H new ATOM 0 HE22 GLN A 9 2.449 2.260 -21.638 1.00 0.00 H new ATOM 157 N LYS A 10 -3.467 1.229 -16.986 1.00 0.00 N ATOM 158 CA LYS A 10 -4.902 1.314 -16.783 1.00 0.00 C ATOM 159 C LYS A 10 -5.236 1.722 -15.354 1.00 0.00 C ATOM 160 O LYS A 10 -6.141 2.533 -15.158 1.00 0.00 O ATOM 161 CB LYS A 10 -5.561 -0.027 -17.103 1.00 0.00 C ATOM 162 CG LYS A 10 -5.581 -0.397 -18.578 1.00 0.00 C ATOM 163 CD LYS A 10 -6.213 -1.764 -18.786 1.00 0.00 C ATOM 164 CE LYS A 10 -6.223 -2.156 -20.256 1.00 0.00 C ATOM 165 NZ LYS A 10 -6.829 -3.501 -20.466 1.00 0.00 N ATOM 0 H LYS A 10 -3.125 0.294 -17.210 1.00 0.00 H new ATOM 0 HA LYS A 10 -5.289 2.079 -17.457 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -5.040 -0.811 -16.554 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.587 -0.008 -16.735 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -6.138 0.354 -19.138 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -4.564 -0.399 -18.970 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -5.664 -2.511 -18.213 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -7.234 -1.756 -18.404 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -6.780 -1.413 -20.826 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -5.203 -2.153 -20.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -6.818 -3.732 -21.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -6.282 -4.214 -19.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -7.811 -3.497 -20.123 1.00 0.00 H new ATOM 179 N GLU A 11 -4.519 1.171 -14.370 1.00 0.00 N ATOM 180 CA GLU A 11 -4.759 1.517 -12.974 1.00 0.00 C ATOM 181 C GLU A 11 -4.330 2.960 -12.700 1.00 0.00 C ATOM 182 O GLU A 11 -5.001 3.661 -11.941 1.00 0.00 O ATOM 183 CB GLU A 11 -4.022 0.543 -12.028 1.00 0.00 C ATOM 184 CG GLU A 11 -4.551 -0.900 -12.033 1.00 0.00 C ATOM 185 CD GLU A 11 -3.881 -1.831 -11.044 1.00 0.00 C ATOM 186 OE1 GLU A 11 -3.371 -1.321 -10.076 1.00 0.00 O ATOM 187 OE2 GLU A 11 -3.869 -3.029 -11.241 1.00 0.00 O ATOM 0 H GLU A 11 -3.774 0.489 -14.517 1.00 0.00 H new ATOM 0 HA GLU A 11 -5.828 1.430 -12.781 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -2.966 0.527 -12.299 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -4.084 0.932 -11.012 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.620 -0.880 -11.823 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -4.431 -1.312 -13.035 1.00 0.00 H new ATOM 194 N LEU A 12 -3.238 3.409 -13.328 1.00 0.00 N ATOM 195 CA LEU A 12 -2.758 4.774 -13.160 1.00 0.00 C ATOM 196 C LEU A 12 -3.772 5.767 -13.695 1.00 0.00 C ATOM 197 O LEU A 12 -4.063 6.762 -13.031 1.00 0.00 O ATOM 198 CB LEU A 12 -1.424 4.988 -13.907 1.00 0.00 C ATOM 199 CG LEU A 12 -0.146 4.298 -13.386 1.00 0.00 C ATOM 200 CD1 LEU A 12 0.963 4.480 -14.413 1.00 0.00 C ATOM 201 CD2 LEU A 12 0.302 4.899 -12.063 1.00 0.00 C ATOM 0 H LEU A 12 -2.672 2.840 -13.958 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.608 4.935 -12.093 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.571 4.668 -14.938 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.231 6.060 -13.931 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.360 3.241 -13.230 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.872 3.996 -14.056 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.660 4.031 -15.359 1.00 0.00 H new ATOM 0 HD13 LEU A 12 1.152 5.543 -14.560 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.205 4.393 -11.721 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.510 5.960 -12.197 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.487 4.775 -11.321 1.00 0.00 H new ATOM 213 N LEU A 13 -4.321 5.483 -14.874 1.00 0.00 N ATOM 214 CA LEU A 13 -5.301 6.362 -15.485 1.00 0.00 C ATOM 215 C LEU A 13 -6.642 6.326 -14.778 1.00 0.00 C ATOM 216 O LEU A 13 -7.302 7.360 -14.674 1.00 0.00 O ATOM 217 CB LEU A 13 -5.474 5.976 -16.954 1.00 0.00 C ATOM 218 CG LEU A 13 -4.250 6.256 -17.833 1.00 0.00 C ATOM 219 CD1 LEU A 13 -4.485 5.677 -19.221 1.00 0.00 C ATOM 220 CD2 LEU A 13 -4.015 7.758 -17.887 1.00 0.00 C ATOM 0 H LEU A 13 -4.101 4.651 -15.421 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.928 7.383 -15.400 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -5.712 4.914 -17.012 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -6.329 6.517 -17.360 1.00 0.00 H new ATOM 0 HG LEU A 13 -3.360 5.783 -17.417 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.616 5.874 -19.849 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.641 4.601 -19.145 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.366 6.141 -19.664 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.146 7.968 -18.510 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.892 8.248 -18.310 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.839 8.135 -16.880 1.00 0.00 H new ATOM 232 N ALA A 14 -7.043 5.152 -14.295 1.00 0.00 N ATOM 233 CA ALA A 14 -8.292 5.017 -13.566 1.00 0.00 C ATOM 234 C ALA A 14 -8.266 5.837 -12.295 1.00 0.00 C ATOM 235 O ALA A 14 -9.252 6.499 -11.964 1.00 0.00 O ATOM 236 CB ALA A 14 -8.553 3.559 -13.229 1.00 0.00 C ATOM 0 H ALA A 14 -6.518 4.284 -14.398 1.00 0.00 H new ATOM 0 HA ALA A 14 -9.095 5.387 -14.204 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -9.492 3.474 -12.683 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -8.615 2.978 -14.149 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -7.739 3.177 -12.613 1.00 0.00 H new ATOM 242 N LEU A 15 -7.139 5.808 -11.590 1.00 0.00 N ATOM 243 CA LEU A 15 -7.085 6.543 -10.348 1.00 0.00 C ATOM 244 C LEU A 15 -6.653 7.983 -10.577 1.00 0.00 C ATOM 245 O LEU A 15 -6.745 8.804 -9.667 1.00 0.00 O ATOM 246 CB LEU A 15 -6.158 5.811 -9.398 1.00 0.00 C ATOM 247 CG LEU A 15 -6.631 4.376 -9.136 1.00 0.00 C ATOM 248 CD1 LEU A 15 -5.655 3.711 -8.182 1.00 0.00 C ATOM 249 CD2 LEU A 15 -8.079 4.389 -8.676 1.00 0.00 C ATOM 0 H LEU A 15 -6.290 5.305 -11.848 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.079 6.595 -9.903 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -5.151 5.792 -9.815 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -6.102 6.354 -8.454 1.00 0.00 H new ATOM 0 HG LEU A 15 -6.629 3.772 -10.043 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -5.978 2.689 -7.985 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.661 3.698 -8.629 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -5.625 4.268 -7.246 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -8.411 3.367 -8.491 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -8.164 4.970 -7.758 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -8.702 4.839 -9.449 1.00 0.00 H new ATOM 261 N GLN A 16 -6.139 8.295 -11.768 1.00 0.00 N ATOM 262 CA GLN A 16 -5.914 9.685 -12.126 1.00 0.00 C ATOM 263 C GLN A 16 -7.279 10.332 -12.307 1.00 0.00 C ATOM 264 O GLN A 16 -7.496 11.474 -11.899 1.00 0.00 O ATOM 265 CB GLN A 16 -5.087 9.813 -13.408 1.00 0.00 C ATOM 266 CG GLN A 16 -4.759 11.243 -13.794 1.00 0.00 C ATOM 267 CD GLN A 16 -3.902 11.956 -12.766 1.00 0.00 C ATOM 268 OE1 GLN A 16 -2.828 11.482 -12.386 1.00 0.00 O ATOM 269 NE2 GLN A 16 -4.374 13.110 -12.307 1.00 0.00 N ATOM 0 H GLN A 16 -5.877 7.616 -12.483 1.00 0.00 H new ATOM 0 HA GLN A 16 -5.346 10.181 -11.339 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -4.156 9.259 -13.284 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -5.631 9.343 -14.227 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -4.241 11.244 -14.753 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -5.687 11.798 -13.932 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -5.267 13.467 -12.647 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -3.844 13.639 -11.614 1.00 0.00 H new ATOM 278 N ASN A 17 -8.194 9.591 -12.933 1.00 0.00 N ATOM 279 CA ASN A 17 -9.562 10.044 -13.118 1.00 0.00 C ATOM 280 C ASN A 17 -10.335 10.078 -11.804 1.00 0.00 C ATOM 281 O ASN A 17 -11.194 10.942 -11.620 1.00 0.00 O ATOM 282 CB ASN A 17 -10.263 9.165 -14.131 1.00 0.00 C ATOM 283 CG ASN A 17 -9.781 9.428 -15.530 1.00 0.00 C ATOM 284 OD1 ASN A 17 -9.243 10.502 -15.824 1.00 0.00 O ATOM 285 ND2 ASN A 17 -9.965 8.470 -16.401 1.00 0.00 N ATOM 0 H ASN A 17 -8.004 8.667 -13.322 1.00 0.00 H new ATOM 0 HA ASN A 17 -9.528 11.067 -13.494 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -10.096 8.118 -13.880 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -11.338 9.337 -14.079 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -9.660 8.593 -17.367 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -10.413 7.600 -16.115 1.00 0.00 H new ATOM 292 N ASP A 18 -10.048 9.147 -10.894 1.00 0.00 N ATOM 293 CA ASP A 18 -10.704 9.177 -9.595 1.00 0.00 C ATOM 294 C ASP A 18 -9.814 8.632 -8.476 1.00 0.00 C ATOM 295 O ASP A 18 -9.861 7.436 -8.188 1.00 0.00 O ATOM 296 CB ASP A 18 -11.995 8.358 -9.668 1.00 0.00 C ATOM 297 CG ASP A 18 -12.844 8.420 -8.405 1.00 0.00 C ATOM 298 OD1 ASP A 18 -12.421 9.027 -7.451 1.00 0.00 O ATOM 299 OD2 ASP A 18 -13.911 7.853 -8.408 1.00 0.00 O ATOM 0 H ASP A 18 -9.384 8.384 -11.029 1.00 0.00 H new ATOM 0 HA ASP A 18 -10.920 10.218 -9.356 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -12.590 8.712 -10.510 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -11.741 7.318 -9.872 1.00 0.00 H new ATOM 304 N PRO A 19 -9.001 9.491 -7.845 1.00 0.00 N ATOM 305 CA PRO A 19 -8.136 9.161 -6.730 1.00 0.00 C ATOM 306 C PRO A 19 -8.914 8.570 -5.549 1.00 0.00 C ATOM 307 O PRO A 19 -9.895 9.183 -5.124 1.00 0.00 O ATOM 308 CB PRO A 19 -7.546 10.535 -6.394 1.00 0.00 C ATOM 309 CG PRO A 19 -7.605 11.295 -7.691 1.00 0.00 C ATOM 310 CD PRO A 19 -8.892 10.863 -8.357 1.00 0.00 C ATOM 0 HA PRO A 19 -7.392 8.397 -6.958 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -8.121 11.034 -5.614 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -6.522 10.450 -6.030 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -7.596 12.371 -7.516 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -6.743 11.067 -8.318 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -9.739 11.484 -8.067 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -8.830 10.897 -9.445 1.00 0.00 H new ATOM 318 N PRO A 20 -8.531 7.406 -5.013 1.00 0.00 N ATOM 319 CA PRO A 20 -9.154 6.786 -3.862 1.00 0.00 C ATOM 320 C PRO A 20 -9.059 7.677 -2.622 1.00 0.00 C ATOM 321 O PRO A 20 -8.108 8.453 -2.517 1.00 0.00 O ATOM 322 CB PRO A 20 -8.331 5.504 -3.716 1.00 0.00 C ATOM 323 CG PRO A 20 -7.750 5.286 -5.079 1.00 0.00 C ATOM 324 CD PRO A 20 -7.441 6.655 -5.633 1.00 0.00 C ATOM 0 HA PRO A 20 -10.223 6.607 -3.977 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -7.551 5.615 -2.963 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -8.953 4.664 -3.409 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -6.848 4.676 -5.024 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -8.454 4.757 -5.721 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -6.457 7.017 -5.335 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -7.475 6.686 -6.722 1.00 0.00 H new ATOM 332 N PRO A 21 -10.021 7.607 -1.699 1.00 0.00 N ATOM 333 CA PRO A 21 -10.022 8.370 -0.470 1.00 0.00 C ATOM 334 C PRO A 21 -8.722 8.239 0.311 1.00 0.00 C ATOM 335 O PRO A 21 -8.367 7.148 0.758 1.00 0.00 O ATOM 336 CB PRO A 21 -11.197 7.718 0.266 1.00 0.00 C ATOM 337 CG PRO A 21 -12.096 7.224 -0.834 1.00 0.00 C ATOM 338 CD PRO A 21 -11.175 6.728 -1.925 1.00 0.00 C ATOM 0 HA PRO A 21 -10.113 9.446 -0.619 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -10.862 6.900 0.904 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -11.710 8.433 0.908 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -12.747 6.425 -0.478 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -12.742 8.022 -1.200 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -10.925 5.673 -1.812 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -11.603 6.849 -2.920 1.00 0.00 H new ATOM 346 N GLY A 22 -8.028 9.360 0.485 1.00 0.00 N ATOM 347 CA GLY A 22 -6.768 9.396 1.220 1.00 0.00 C ATOM 348 C GLY A 22 -5.572 8.910 0.400 1.00 0.00 C ATOM 349 O GLY A 22 -4.506 8.662 0.959 1.00 0.00 O ATOM 0 H GLY A 22 -8.322 10.266 0.122 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -6.580 10.416 1.554 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -6.860 8.780 2.115 1.00 0.00 H new ATOM 353 N MET A 23 -5.725 8.783 -0.920 1.00 0.00 N ATOM 354 CA MET A 23 -4.643 8.303 -1.780 1.00 0.00 C ATOM 355 C MET A 23 -4.231 9.177 -2.964 1.00 0.00 C ATOM 356 O MET A 23 -5.065 9.574 -3.778 1.00 0.00 O ATOM 357 CB MET A 23 -5.062 6.951 -2.349 1.00 0.00 C ATOM 358 CG MET A 23 -4.076 6.348 -3.332 1.00 0.00 C ATOM 359 SD MET A 23 -4.539 4.705 -3.905 1.00 0.00 S ATOM 360 CE MET A 23 -3.332 4.367 -5.181 1.00 0.00 C ATOM 0 H MET A 23 -6.588 9.006 -1.416 1.00 0.00 H new ATOM 0 HA MET A 23 -3.772 8.287 -1.125 1.00 0.00 H new ATOM 0 HB2 MET A 23 -5.206 6.253 -1.524 1.00 0.00 H new ATOM 0 HB3 MET A 23 -6.027 7.063 -2.844 1.00 0.00 H new ATOM 0 HG2 MET A 23 -3.983 7.011 -4.193 1.00 0.00 H new ATOM 0 HG3 MET A 23 -3.094 6.296 -2.862 1.00 0.00 H new ATOM 0 HE1 MET A 23 -3.292 3.294 -5.369 1.00 0.00 H new ATOM 0 HE2 MET A 23 -3.616 4.886 -6.097 1.00 0.00 H new ATOM 0 HE3 MET A 23 -2.352 4.715 -4.856 1.00 0.00 H new ATOM 370 N THR A 24 -2.925 9.458 -3.061 1.00 0.00 N ATOM 371 CA THR A 24 -2.386 10.193 -4.204 1.00 0.00 C ATOM 372 C THR A 24 -1.347 9.324 -4.901 1.00 0.00 C ATOM 373 O THR A 24 -0.277 9.025 -4.373 1.00 0.00 O ATOM 374 CB THR A 24 -1.744 11.536 -3.819 1.00 0.00 C ATOM 375 OG1 THR A 24 -2.713 12.385 -3.191 1.00 0.00 O ATOM 376 CG2 THR A 24 -1.201 12.219 -5.065 1.00 0.00 C ATOM 0 H THR A 24 -2.230 9.188 -2.365 1.00 0.00 H new ATOM 0 HA THR A 24 -3.224 10.422 -4.863 1.00 0.00 H new ATOM 0 HB THR A 24 -0.928 11.350 -3.120 1.00 0.00 H new ATOM 0 HG1 THR A 24 -2.293 13.237 -2.948 1.00 0.00 H new ATOM 0 HG21 THR A 24 -0.747 13.171 -4.789 1.00 0.00 H new ATOM 0 HG22 THR A 24 -0.451 11.581 -5.532 1.00 0.00 H new ATOM 0 HG23 THR A 24 -2.016 12.396 -5.767 1.00 0.00 H new ATOM 384 N LEU A 25 -1.668 8.947 -6.127 1.00 0.00 N ATOM 385 CA LEU A 25 -0.843 8.054 -6.927 1.00 0.00 C ATOM 386 C LEU A 25 0.166 8.788 -7.812 1.00 0.00 C ATOM 387 O LEU A 25 -0.235 9.536 -8.704 1.00 0.00 O ATOM 388 CB LEU A 25 -1.816 7.210 -7.754 1.00 0.00 C ATOM 389 CG LEU A 25 -1.266 6.156 -8.704 1.00 0.00 C ATOM 390 CD1 LEU A 25 -0.521 5.107 -7.914 1.00 0.00 C ATOM 391 CD2 LEU A 25 -2.443 5.515 -9.406 1.00 0.00 C ATOM 0 H LEU A 25 -2.517 9.255 -6.601 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.223 7.436 -6.278 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.486 6.706 -7.058 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.426 7.896 -8.343 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.584 6.606 -9.426 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.127 4.352 -8.594 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.302 5.575 -7.374 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.200 4.636 -7.203 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.083 4.752 -10.097 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.101 5.055 -8.668 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.994 6.275 -9.960 1.00 0.00 H new ATOM 403 N ASN A 26 1.466 8.588 -7.577 1.00 0.00 N ATOM 404 CA ASN A 26 2.484 9.270 -8.376 1.00 0.00 C ATOM 405 C ASN A 26 3.559 8.349 -8.974 1.00 0.00 C ATOM 406 O ASN A 26 4.497 7.937 -8.288 1.00 0.00 O ATOM 407 CB ASN A 26 3.130 10.343 -7.517 1.00 0.00 C ATOM 408 CG ASN A 26 4.117 11.204 -8.254 1.00 0.00 C ATOM 409 OD1 ASN A 26 4.399 10.989 -9.437 1.00 0.00 O ATOM 410 ND2 ASN A 26 4.648 12.187 -7.572 1.00 0.00 N ATOM 0 H ASN A 26 1.833 7.970 -6.853 1.00 0.00 H new ATOM 0 HA ASN A 26 1.972 9.698 -9.238 1.00 0.00 H new ATOM 0 HB2 ASN A 26 2.349 10.979 -7.100 1.00 0.00 H new ATOM 0 HB3 ASN A 26 3.635 9.866 -6.677 1.00 0.00 H new ATOM 0 HD21 ASN A 26 5.322 12.810 -8.016 1.00 0.00 H new ATOM 0 HD22 ASN A 26 4.388 12.330 -6.596 1.00 0.00 H new ATOM 542 N THR A 35 8.333 -0.856 -13.296 1.00 0.00 N ATOM 543 CA THR A 35 7.112 -0.353 -12.676 1.00 0.00 C ATOM 544 C THR A 35 7.141 -0.134 -11.162 1.00 0.00 C ATOM 545 O THR A 35 6.613 -0.935 -10.386 1.00 0.00 O ATOM 546 CB THR A 35 5.975 -1.344 -12.981 1.00 0.00 C ATOM 547 OG1 THR A 35 6.343 -2.630 -12.470 1.00 0.00 O ATOM 548 CG2 THR A 35 5.731 -1.452 -14.477 1.00 0.00 C ATOM 0 HA THR A 35 6.975 0.639 -13.106 1.00 0.00 H new ATOM 0 HB THR A 35 5.059 -0.987 -12.510 1.00 0.00 H new ATOM 0 HG1 THR A 35 6.558 -2.554 -11.517 1.00 0.00 H new ATOM 0 HG21 THR A 35 4.923 -2.159 -14.664 1.00 0.00 H new ATOM 0 HG22 THR A 35 5.456 -0.474 -14.872 1.00 0.00 H new ATOM 0 HG23 THR A 35 6.639 -1.801 -14.969 1.00 0.00 H new ATOM 556 N GLN A 36 7.787 0.967 -10.763 1.00 0.00 N ATOM 557 CA GLN A 36 7.860 1.437 -9.378 1.00 0.00 C ATOM 558 C GLN A 36 7.238 2.830 -9.207 1.00 0.00 C ATOM 559 O GLN A 36 7.313 3.673 -10.104 1.00 0.00 O ATOM 560 CB GLN A 36 9.316 1.476 -8.896 1.00 0.00 C ATOM 561 CG GLN A 36 9.979 0.118 -8.778 1.00 0.00 C ATOM 562 CD GLN A 36 11.447 0.189 -8.380 1.00 0.00 C ATOM 563 OE1 GLN A 36 12.304 0.654 -9.139 1.00 0.00 O ATOM 564 NE2 GLN A 36 11.744 -0.274 -7.170 1.00 0.00 N ATOM 0 H GLN A 36 8.287 1.572 -11.414 1.00 0.00 H new ATOM 0 HA GLN A 36 7.289 0.730 -8.777 1.00 0.00 H new ATOM 0 HB2 GLN A 36 9.896 2.090 -9.584 1.00 0.00 H new ATOM 0 HB3 GLN A 36 9.350 1.968 -7.924 1.00 0.00 H new ATOM 0 HG2 GLN A 36 9.440 -0.477 -8.041 1.00 0.00 H new ATOM 0 HG3 GLN A 36 9.895 -0.402 -9.732 1.00 0.00 H new ATOM 0 HE21 GLN A 36 11.008 -0.650 -6.573 1.00 0.00 H new ATOM 0 HE22 GLN A 36 12.708 -0.253 -6.838 1.00 0.00 H new ATOM 573 N TRP A 37 6.570 3.055 -8.077 1.00 0.00 N ATOM 574 CA TRP A 37 5.993 4.378 -7.844 1.00 0.00 C ATOM 575 C TRP A 37 5.727 4.702 -6.384 1.00 0.00 C ATOM 576 O TRP A 37 5.787 3.837 -5.509 1.00 0.00 O ATOM 577 CB TRP A 37 4.704 4.543 -8.632 1.00 0.00 C ATOM 578 CG TRP A 37 3.616 3.622 -8.255 1.00 0.00 C ATOM 579 CD1 TRP A 37 2.626 3.850 -7.360 1.00 0.00 C ATOM 580 CD2 TRP A 37 3.411 2.294 -8.767 1.00 0.00 C ATOM 581 NE1 TRP A 37 1.808 2.755 -7.279 1.00 0.00 N ATOM 582 CE2 TRP A 37 2.278 1.792 -8.130 1.00 0.00 C ATOM 583 CE3 TRP A 37 4.095 1.512 -9.699 1.00 0.00 C ATOM 584 CZ2 TRP A 37 1.812 0.522 -8.384 1.00 0.00 C ATOM 585 CZ3 TRP A 37 3.640 0.240 -9.948 1.00 0.00 C ATOM 586 CH2 TRP A 37 2.543 -0.217 -9.300 1.00 0.00 C ATOM 0 H TRP A 37 6.418 2.371 -7.336 1.00 0.00 H new ATOM 0 HA TRP A 37 6.752 5.082 -8.186 1.00 0.00 H new ATOM 0 HB2 TRP A 37 4.351 5.567 -8.510 1.00 0.00 H new ATOM 0 HB3 TRP A 37 4.924 4.406 -9.691 1.00 0.00 H new ATOM 0 HD1 TRP A 37 2.500 4.761 -6.794 1.00 0.00 H new ATOM 0 HE1 TRP A 37 0.985 2.671 -6.683 1.00 0.00 H new ATOM 0 HE3 TRP A 37 4.963 1.898 -10.213 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 0.932 0.126 -7.900 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 4.155 -0.392 -10.657 1.00 0.00 H new ATOM 0 HH2 TRP A 37 2.216 -1.224 -9.511 1.00 0.00 H new ATOM 597 N ILE A 38 5.399 5.967 -6.123 1.00 0.00 N ATOM 598 CA ILE A 38 5.157 6.406 -4.755 1.00 0.00 C ATOM 599 C ILE A 38 3.722 6.874 -4.548 1.00 0.00 C ATOM 600 O ILE A 38 3.174 7.637 -5.343 1.00 0.00 O ATOM 601 CB ILE A 38 6.129 7.526 -4.332 1.00 0.00 C ATOM 602 CG1 ILE A 38 7.569 7.006 -4.393 1.00 0.00 C ATOM 603 CG2 ILE A 38 5.803 7.998 -2.916 1.00 0.00 C ATOM 604 CD1 ILE A 38 8.604 8.092 -4.216 1.00 0.00 C ATOM 0 H ILE A 38 5.297 6.694 -6.831 1.00 0.00 H new ATOM 0 HA ILE A 38 5.330 5.534 -4.125 1.00 0.00 H new ATOM 0 HB ILE A 38 6.022 8.369 -5.015 1.00 0.00 H new ATOM 0 HG12 ILE A 38 7.708 6.251 -3.619 1.00 0.00 H new ATOM 0 HG13 ILE A 38 7.730 6.513 -5.352 1.00 0.00 H new ATOM 0 HG21 ILE A 38 6.495 8.789 -2.628 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.783 8.380 -2.886 1.00 0.00 H new ATOM 0 HG23 ILE A 38 5.898 7.162 -2.223 1.00 0.00 H new ATOM 0 HD11 ILE A 38 9.602 7.656 -4.270 1.00 0.00 H new ATOM 0 HD12 ILE A 38 8.490 8.835 -5.005 1.00 0.00 H new ATOM 0 HD13 ILE A 38 8.468 8.569 -3.245 1.00 0.00 H new ATOM 616 N VAL A 39 3.114 6.374 -3.482 1.00 0.00 N ATOM 617 CA VAL A 39 1.759 6.758 -3.128 1.00 0.00 C ATOM 618 C VAL A 39 1.688 7.517 -1.817 1.00 0.00 C ATOM 619 O VAL A 39 2.163 7.041 -0.788 1.00 0.00 O ATOM 620 CB VAL A 39 0.851 5.530 -3.015 1.00 0.00 C ATOM 621 CG1 VAL A 39 -0.527 5.958 -2.571 1.00 0.00 C ATOM 622 CG2 VAL A 39 0.743 4.840 -4.361 1.00 0.00 C ATOM 0 H VAL A 39 3.541 5.700 -2.847 1.00 0.00 H new ATOM 0 HA VAL A 39 1.420 7.412 -3.931 1.00 0.00 H new ATOM 0 HB VAL A 39 1.278 4.841 -2.286 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.172 5.083 -2.491 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.460 6.449 -1.600 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -0.945 6.651 -3.301 1.00 0.00 H new ATOM 0 HG21 VAL A 39 0.096 3.968 -4.272 1.00 0.00 H new ATOM 0 HG22 VAL A 39 0.322 5.531 -5.091 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.734 4.525 -4.689 1.00 0.00 H new ATOM 632 N ASP A 40 1.108 8.713 -1.845 1.00 0.00 N ATOM 633 CA ASP A 40 0.982 9.439 -0.594 1.00 0.00 C ATOM 634 C ASP A 40 -0.290 8.927 0.064 1.00 0.00 C ATOM 635 O ASP A 40 -1.322 8.767 -0.592 1.00 0.00 O ATOM 636 CB ASP A 40 0.933 10.958 -0.767 1.00 0.00 C ATOM 637 CG ASP A 40 2.241 11.573 -1.260 1.00 0.00 C ATOM 638 OD1 ASP A 40 3.201 10.856 -1.396 1.00 0.00 O ATOM 639 OD2 ASP A 40 2.289 12.770 -1.429 1.00 0.00 O ATOM 0 H ASP A 40 0.737 9.178 -2.674 1.00 0.00 H new ATOM 0 HA ASP A 40 1.866 9.262 0.019 1.00 0.00 H new ATOM 0 HB2 ASP A 40 0.139 11.207 -1.471 1.00 0.00 H new ATOM 0 HB3 ASP A 40 0.667 11.413 0.187 1.00 0.00 H new ATOM 644 N MET A 41 -0.238 8.678 1.364 1.00 0.00 N ATOM 645 CA MET A 41 -1.425 8.166 2.034 1.00 0.00 C ATOM 646 C MET A 41 -1.775 8.939 3.292 1.00 0.00 C ATOM 647 O MET A 41 -0.924 9.175 4.140 1.00 0.00 O ATOM 648 CB MET A 41 -1.213 6.693 2.337 1.00 0.00 C ATOM 649 CG MET A 41 -2.351 6.000 3.054 1.00 0.00 C ATOM 650 SD MET A 41 -1.975 4.261 3.327 1.00 0.00 S ATOM 651 CE MET A 41 -2.076 3.667 1.640 1.00 0.00 C ATOM 0 H MET A 41 0.580 8.815 1.958 1.00 0.00 H new ATOM 0 HA MET A 41 -2.277 8.294 1.366 1.00 0.00 H new ATOM 0 HB2 MET A 41 -1.028 6.171 1.398 1.00 0.00 H new ATOM 0 HB3 MET A 41 -0.312 6.591 2.941 1.00 0.00 H new ATOM 0 HG2 MET A 41 -2.536 6.490 4.010 1.00 0.00 H new ATOM 0 HG3 MET A 41 -3.265 6.091 2.467 1.00 0.00 H new ATOM 0 HE1 MET A 41 -1.904 2.591 1.622 1.00 0.00 H new ATOM 0 HE2 MET A 41 -3.065 3.883 1.237 1.00 0.00 H new ATOM 0 HE3 MET A 41 -1.320 4.165 1.033 1.00 0.00 H new ATOM 661 N GLU A 42 -3.036 9.338 3.427 1.00 0.00 N ATOM 662 CA GLU A 42 -3.456 10.103 4.600 1.00 0.00 C ATOM 663 C GLU A 42 -4.172 9.254 5.644 1.00 0.00 C ATOM 664 O GLU A 42 -5.119 8.539 5.314 1.00 0.00 O ATOM 665 CB GLU A 42 -4.368 11.255 4.186 1.00 0.00 C ATOM 666 CG GLU A 42 -4.812 12.127 5.352 1.00 0.00 C ATOM 667 CD GLU A 42 -5.695 13.269 4.932 1.00 0.00 C ATOM 668 OE1 GLU A 42 -5.965 13.385 3.761 1.00 0.00 O ATOM 669 OE2 GLU A 42 -6.097 14.028 5.782 1.00 0.00 O ATOM 0 H GLU A 42 -3.776 9.149 2.751 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.542 10.485 5.055 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.848 11.875 3.456 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.250 10.850 3.689 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.345 11.511 6.076 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.931 12.523 5.857 1.00 0.00 H new ATOM 676 N GLY A 43 -3.717 9.319 6.897 1.00 0.00 N ATOM 677 CA GLY A 43 -4.381 8.548 7.945 1.00 0.00 C ATOM 678 C GLY A 43 -5.793 9.057 8.234 1.00 0.00 C ATOM 679 O GLY A 43 -6.063 10.260 8.234 1.00 0.00 O ATOM 0 H GLY A 43 -2.920 9.877 7.202 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -4.429 7.501 7.647 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -3.787 8.593 8.858 1.00 0.00 H new ATOM 683 N ALA A 44 -6.676 8.111 8.551 1.00 0.00 N ATOM 684 CA ALA A 44 -8.099 8.364 8.769 1.00 0.00 C ATOM 685 C ALA A 44 -8.444 9.252 9.981 1.00 0.00 C ATOM 686 O ALA A 44 -7.864 9.071 11.056 1.00 0.00 O ATOM 687 CB ALA A 44 -8.818 7.040 8.955 1.00 0.00 C ATOM 0 H ALA A 44 -6.418 7.131 8.665 1.00 0.00 H new ATOM 0 HA ALA A 44 -8.421 8.911 7.883 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -9.880 7.223 9.118 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -8.688 6.427 8.063 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -8.403 6.519 9.817 1.00 0.00 H new ATOM 693 N PRO A 45 -9.390 10.192 9.816 1.00 0.00 N ATOM 694 CA PRO A 45 -9.896 11.057 10.859 1.00 0.00 C ATOM 695 C PRO A 45 -10.449 10.313 12.053 1.00 0.00 C ATOM 696 O PRO A 45 -11.192 9.341 11.912 1.00 0.00 O ATOM 697 CB PRO A 45 -10.985 11.829 10.107 1.00 0.00 C ATOM 698 CG PRO A 45 -10.515 11.843 8.683 1.00 0.00 C ATOM 699 CD PRO A 45 -9.843 10.514 8.455 1.00 0.00 C ATOM 0 HA PRO A 45 -9.123 11.681 11.308 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -11.955 11.341 10.201 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -11.098 12.840 10.498 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -11.351 11.980 7.997 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -9.822 12.666 8.509 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -10.531 9.766 8.062 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -9.014 10.586 7.751 1.00 0.00 H new ATOM 707 N GLY A 46 -10.093 10.799 13.236 1.00 0.00 N ATOM 708 CA GLY A 46 -10.538 10.192 14.477 1.00 0.00 C ATOM 709 C GLY A 46 -9.576 9.122 14.982 1.00 0.00 C ATOM 710 O GLY A 46 -9.748 8.629 16.097 1.00 0.00 O ATOM 0 H GLY A 46 -9.494 11.616 13.358 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -10.647 10.965 15.237 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -11.523 9.749 14.328 1.00 0.00 H new ATOM 714 N THR A 47 -8.572 8.750 14.183 1.00 0.00 N ATOM 715 CA THR A 47 -7.632 7.736 14.627 1.00 0.00 C ATOM 716 C THR A 47 -6.335 8.397 15.018 1.00 0.00 C ATOM 717 O THR A 47 -6.129 9.593 14.805 1.00 0.00 O ATOM 718 CB THR A 47 -7.281 6.710 13.541 1.00 0.00 C ATOM 719 OG1 THR A 47 -6.481 7.348 12.537 1.00 0.00 O ATOM 720 CG2 THR A 47 -8.557 6.188 12.903 1.00 0.00 C ATOM 0 H THR A 47 -8.397 9.128 13.252 1.00 0.00 H new ATOM 0 HA THR A 47 -8.118 7.221 15.456 1.00 0.00 H new ATOM 0 HB THR A 47 -6.731 5.881 13.986 1.00 0.00 H new ATOM 0 HG1 THR A 47 -7.065 7.750 11.860 1.00 0.00 H new ATOM 0 HG21 THR A 47 -8.307 5.459 12.132 1.00 0.00 H new ATOM 0 HG22 THR A 47 -9.176 5.713 13.664 1.00 0.00 H new ATOM 0 HG23 THR A 47 -9.105 7.017 12.455 1.00 0.00 H new ATOM 728 N LEU A 48 -5.425 7.581 15.530 1.00 0.00 N ATOM 729 CA LEU A 48 -4.101 8.022 15.940 1.00 0.00 C ATOM 730 C LEU A 48 -3.231 8.461 14.766 1.00 0.00 C ATOM 731 O LEU A 48 -2.170 9.047 14.979 1.00 0.00 O ATOM 732 CB LEU A 48 -3.381 6.881 16.665 1.00 0.00 C ATOM 733 CG LEU A 48 -3.987 6.452 18.004 1.00 0.00 C ATOM 734 CD1 LEU A 48 -3.233 5.234 18.520 1.00 0.00 C ATOM 735 CD2 LEU A 48 -3.904 7.611 18.985 1.00 0.00 C ATOM 0 H LEU A 48 -5.587 6.584 15.674 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.248 8.882 16.594 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -3.358 6.014 16.004 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.347 7.180 16.835 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.036 6.183 17.883 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.657 4.921 19.474 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.319 4.421 17.800 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.182 5.488 18.656 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.334 7.311 19.940 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.861 7.892 19.129 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.457 8.463 18.590 1.00 0.00 H new ATOM 747 N TYR A 49 -3.666 8.178 13.537 1.00 0.00 N ATOM 748 CA TYR A 49 -2.900 8.520 12.366 1.00 0.00 C ATOM 749 C TYR A 49 -3.538 9.666 11.577 1.00 0.00 C ATOM 750 O TYR A 49 -3.065 9.981 10.485 1.00 0.00 O ATOM 751 CB TYR A 49 -2.798 7.248 11.540 1.00 0.00 C ATOM 752 CG TYR A 49 -2.144 6.139 12.343 1.00 0.00 C ATOM 753 CD1 TYR A 49 -0.779 6.121 12.592 1.00 0.00 C ATOM 754 CD2 TYR A 49 -2.944 5.125 12.853 1.00 0.00 C ATOM 755 CE1 TYR A 49 -0.219 5.098 13.332 1.00 0.00 C ATOM 756 CE2 TYR A 49 -2.384 4.103 13.598 1.00 0.00 C ATOM 757 CZ TYR A 49 -1.013 4.089 13.836 1.00 0.00 C ATOM 758 OH TYR A 49 -0.454 3.067 14.573 1.00 0.00 O ATOM 0 H TYR A 49 -4.551 7.710 13.340 1.00 0.00 H new ATOM 0 HA TYR A 49 -1.911 8.885 12.642 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -3.792 6.935 11.221 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -2.219 7.440 10.637 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -0.152 6.911 12.205 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -4.008 5.134 12.667 1.00 0.00 H new ATOM 0 HE1 TYR A 49 0.845 5.088 13.517 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -3.010 3.317 13.994 1.00 0.00 H new ATOM 0 HH TYR A 49 0.508 3.223 14.672 1.00 0.00 H new ATOM 768 N GLU A 50 -4.585 10.291 12.132 1.00 0.00 N ATOM 769 CA GLU A 50 -5.312 11.368 11.461 1.00 0.00 C ATOM 770 C GLU A 50 -4.511 12.502 10.853 1.00 0.00 C ATOM 771 O GLU A 50 -3.943 13.335 11.563 1.00 0.00 O ATOM 772 CB GLU A 50 -6.303 12.013 12.425 1.00 0.00 C ATOM 773 CG GLU A 50 -7.022 13.203 11.796 1.00 0.00 C ATOM 774 CD GLU A 50 -8.099 13.801 12.657 1.00 0.00 C ATOM 775 OE1 GLU A 50 -8.507 13.169 13.602 1.00 0.00 O ATOM 776 OE2 GLU A 50 -8.520 14.895 12.365 1.00 0.00 O ATOM 0 H GLU A 50 -4.948 10.062 13.057 1.00 0.00 H new ATOM 0 HA GLU A 50 -5.769 10.840 10.624 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -7.037 11.271 12.740 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -5.776 12.340 13.321 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -6.288 13.975 11.564 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -7.463 12.888 10.850 1.00 0.00 H new ATOM 783 N GLY A 51 -4.479 12.526 9.522 1.00 0.00 N ATOM 784 CA GLY A 51 -3.803 13.585 8.785 1.00 0.00 C ATOM 785 C GLY A 51 -2.312 13.354 8.579 1.00 0.00 C ATOM 786 O GLY A 51 -1.629 14.207 8.010 1.00 0.00 O ATOM 0 H GLY A 51 -4.917 11.819 8.932 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.279 13.694 7.811 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.943 14.527 9.316 1.00 0.00 H new ATOM 790 N GLU A 52 -1.797 12.219 9.035 1.00 0.00 N ATOM 791 CA GLU A 52 -0.382 11.934 8.882 1.00 0.00 C ATOM 792 C GLU A 52 -0.147 11.346 7.505 1.00 0.00 C ATOM 793 O GLU A 52 -1.027 10.685 6.955 1.00 0.00 O ATOM 794 CB GLU A 52 0.088 10.983 9.981 1.00 0.00 C ATOM 795 CG GLU A 52 0.021 11.563 11.385 1.00 0.00 C ATOM 796 CD GLU A 52 0.500 10.608 12.441 1.00 0.00 C ATOM 797 OE1 GLU A 52 0.695 9.456 12.138 1.00 0.00 O ATOM 798 OE2 GLU A 52 0.684 11.038 13.556 1.00 0.00 O ATOM 0 H GLU A 52 -2.333 11.491 9.508 1.00 0.00 H new ATOM 0 HA GLU A 52 0.196 12.853 8.976 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -0.519 10.078 9.946 1.00 0.00 H new ATOM 0 HB3 GLU A 52 1.116 10.686 9.772 1.00 0.00 H new ATOM 0 HG2 GLU A 52 0.622 12.471 11.425 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -1.007 11.851 11.604 1.00 0.00 H new ATOM 805 N LYS A 53 1.027 11.601 6.929 1.00 0.00 N ATOM 806 CA LYS A 53 1.299 11.060 5.604 1.00 0.00 C ATOM 807 C LYS A 53 2.170 9.815 5.674 1.00 0.00 C ATOM 808 O LYS A 53 3.205 9.787 6.343 1.00 0.00 O ATOM 809 CB LYS A 53 1.945 12.093 4.685 1.00 0.00 C ATOM 810 CG LYS A 53 2.155 11.551 3.275 1.00 0.00 C ATOM 811 CD LYS A 53 2.701 12.596 2.314 1.00 0.00 C ATOM 812 CE LYS A 53 1.643 13.646 1.992 1.00 0.00 C ATOM 813 NZ LYS A 53 2.049 14.532 0.864 1.00 0.00 N ATOM 0 H LYS A 53 1.777 12.157 7.341 1.00 0.00 H new ATOM 0 HA LYS A 53 0.332 10.786 5.182 1.00 0.00 H new ATOM 0 HB2 LYS A 53 1.317 12.983 4.642 1.00 0.00 H new ATOM 0 HB3 LYS A 53 2.904 12.400 5.102 1.00 0.00 H new ATOM 0 HG2 LYS A 53 2.843 10.707 3.315 1.00 0.00 H new ATOM 0 HG3 LYS A 53 1.207 11.172 2.892 1.00 0.00 H new ATOM 0 HD2 LYS A 53 3.575 13.077 2.753 1.00 0.00 H new ATOM 0 HD3 LYS A 53 3.031 12.113 1.394 1.00 0.00 H new ATOM 0 HE2 LYS A 53 0.706 13.149 1.741 1.00 0.00 H new ATOM 0 HE3 LYS A 53 1.455 14.253 2.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 1.314 15.250 0.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 2.947 15.002 1.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 2.170 13.963 0.002 1.00 0.00 H new ATOM 827 N PHE A 54 1.725 8.790 4.958 1.00 0.00 N ATOM 828 CA PHE A 54 2.369 7.492 4.902 1.00 0.00 C ATOM 829 C PHE A 54 2.782 7.188 3.478 1.00 0.00 C ATOM 830 O PHE A 54 2.082 6.467 2.770 1.00 0.00 O ATOM 831 CB PHE A 54 1.378 6.441 5.393 1.00 0.00 C ATOM 832 CG PHE A 54 0.958 6.782 6.780 1.00 0.00 C ATOM 833 CD1 PHE A 54 1.776 6.477 7.846 1.00 0.00 C ATOM 834 CD2 PHE A 54 -0.237 7.440 7.008 1.00 0.00 C ATOM 835 CE1 PHE A 54 1.418 6.820 9.131 1.00 0.00 C ATOM 836 CE2 PHE A 54 -0.599 7.785 8.290 1.00 0.00 C ATOM 837 CZ PHE A 54 0.229 7.476 9.342 1.00 0.00 C ATOM 0 H PHE A 54 0.882 8.844 4.386 1.00 0.00 H new ATOM 0 HA PHE A 54 3.259 7.486 5.531 1.00 0.00 H new ATOM 0 HB2 PHE A 54 0.510 6.405 4.735 1.00 0.00 H new ATOM 0 HB3 PHE A 54 1.836 5.452 5.371 1.00 0.00 H new ATOM 0 HD1 PHE A 54 2.709 5.963 7.672 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -0.886 7.683 6.180 1.00 0.00 H new ATOM 0 HE1 PHE A 54 2.063 6.577 9.962 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -1.532 8.298 8.469 1.00 0.00 H new ATOM 0 HZ PHE A 54 -0.058 7.752 10.346 1.00 0.00 H new ATOM 847 N GLN A 55 3.896 7.760 3.038 1.00 0.00 N ATOM 848 CA GLN A 55 4.304 7.502 1.669 1.00 0.00 C ATOM 849 C GLN A 55 4.735 6.057 1.514 1.00 0.00 C ATOM 850 O GLN A 55 5.465 5.538 2.356 1.00 0.00 O ATOM 851 CB GLN A 55 5.449 8.415 1.245 1.00 0.00 C ATOM 852 CG GLN A 55 5.075 9.875 1.177 1.00 0.00 C ATOM 853 CD GLN A 55 6.196 10.735 0.630 1.00 0.00 C ATOM 854 OE1 GLN A 55 7.299 10.791 1.182 1.00 0.00 O ATOM 855 NE2 GLN A 55 5.913 11.411 -0.479 1.00 0.00 N ATOM 0 H GLN A 55 4.504 8.375 3.579 1.00 0.00 H new ATOM 0 HA GLN A 55 3.445 7.703 1.028 1.00 0.00 H new ATOM 0 HB2 GLN A 55 6.275 8.294 1.946 1.00 0.00 H new ATOM 0 HB3 GLN A 55 5.811 8.097 0.267 1.00 0.00 H new ATOM 0 HG2 GLN A 55 4.192 9.992 0.549 1.00 0.00 H new ATOM 0 HG3 GLN A 55 4.806 10.225 2.174 1.00 0.00 H new ATOM 0 HE21 GLN A 55 4.987 11.334 -0.901 1.00 0.00 H new ATOM 0 HE22 GLN A 55 6.621 12.006 -0.908 1.00 0.00 H new ATOM 864 N LEU A 56 4.253 5.414 0.457 1.00 0.00 N ATOM 865 CA LEU A 56 4.596 4.024 0.207 1.00 0.00 C ATOM 866 C LEU A 56 5.144 3.744 -1.190 1.00 0.00 C ATOM 867 O LEU A 56 4.765 4.370 -2.178 1.00 0.00 O ATOM 868 CB LEU A 56 3.352 3.168 0.432 1.00 0.00 C ATOM 869 CG LEU A 56 2.717 3.175 1.827 1.00 0.00 C ATOM 870 CD1 LEU A 56 1.408 2.429 1.753 1.00 0.00 C ATOM 871 CD2 LEU A 56 3.643 2.525 2.834 1.00 0.00 C ATOM 0 H LEU A 56 3.629 5.831 -0.234 1.00 0.00 H new ATOM 0 HA LEU A 56 5.400 3.777 0.900 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.593 3.488 -0.282 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.607 2.137 0.186 1.00 0.00 H new ATOM 0 HG LEU A 56 2.543 4.201 2.152 1.00 0.00 H new ATOM 0 HD11 LEU A 56 0.938 2.421 2.736 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.748 2.922 1.039 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.591 1.404 1.430 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.176 2.539 3.819 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.836 1.494 2.538 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.584 3.074 2.871 1.00 0.00 H new ATOM 883 N LEU A 57 6.028 2.757 -1.260 1.00 0.00 N ATOM 884 CA LEU A 57 6.655 2.284 -2.481 1.00 0.00 C ATOM 885 C LEU A 57 5.920 1.080 -3.008 1.00 0.00 C ATOM 886 O LEU A 57 5.759 0.075 -2.316 1.00 0.00 O ATOM 887 CB LEU A 57 8.117 1.883 -2.263 1.00 0.00 C ATOM 888 CG LEU A 57 8.815 1.272 -3.492 1.00 0.00 C ATOM 889 CD1 LEU A 57 8.919 2.310 -4.607 1.00 0.00 C ATOM 890 CD2 LEU A 57 10.187 0.766 -3.072 1.00 0.00 C ATOM 0 H LEU A 57 6.338 2.246 -0.433 1.00 0.00 H new ATOM 0 HA LEU A 57 6.616 3.109 -3.192 1.00 0.00 H new ATOM 0 HB2 LEU A 57 8.676 2.764 -1.947 1.00 0.00 H new ATOM 0 HB3 LEU A 57 8.163 1.165 -1.444 1.00 0.00 H new ATOM 0 HG LEU A 57 8.234 0.435 -3.879 1.00 0.00 H new ATOM 0 HD11 LEU A 57 9.414 1.867 -5.471 1.00 0.00 H new ATOM 0 HD12 LEU A 57 7.920 2.640 -4.891 1.00 0.00 H new ATOM 0 HD13 LEU A 57 9.497 3.165 -4.256 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.693 0.330 -3.933 1.00 0.00 H new ATOM 0 HD22 LEU A 57 10.778 1.596 -2.685 1.00 0.00 H new ATOM 0 HD23 LEU A 57 10.074 0.009 -2.296 1.00 0.00 H new ATOM 902 N PHE A 58 5.457 1.192 -4.239 1.00 0.00 N ATOM 903 CA PHE A 58 4.773 0.084 -4.866 1.00 0.00 C ATOM 904 C PHE A 58 5.490 -0.425 -6.094 1.00 0.00 C ATOM 905 O PHE A 58 6.046 0.344 -6.879 1.00 0.00 O ATOM 906 CB PHE A 58 3.352 0.463 -5.201 1.00 0.00 C ATOM 907 CG PHE A 58 2.443 0.645 -4.032 1.00 0.00 C ATOM 908 CD1 PHE A 58 2.365 1.841 -3.343 1.00 0.00 C ATOM 909 CD2 PHE A 58 1.639 -0.407 -3.634 1.00 0.00 C ATOM 910 CE1 PHE A 58 1.501 1.961 -2.274 1.00 0.00 C ATOM 911 CE2 PHE A 58 0.778 -0.273 -2.567 1.00 0.00 C ATOM 912 CZ PHE A 58 0.713 0.912 -1.880 1.00 0.00 C ATOM 0 H PHE A 58 5.542 2.029 -4.816 1.00 0.00 H new ATOM 0 HA PHE A 58 4.766 -0.733 -4.145 1.00 0.00 H new ATOM 0 HB2 PHE A 58 3.367 1.390 -5.775 1.00 0.00 H new ATOM 0 HB3 PHE A 58 2.932 -0.306 -5.849 1.00 0.00 H new ATOM 0 HD1 PHE A 58 2.978 2.679 -3.641 1.00 0.00 H new ATOM 0 HD2 PHE A 58 1.687 -1.346 -4.166 1.00 0.00 H new ATOM 0 HE1 PHE A 58 1.445 2.897 -1.739 1.00 0.00 H new ATOM 0 HE2 PHE A 58 0.153 -1.103 -2.271 1.00 0.00 H new ATOM 0 HZ PHE A 58 0.047 1.017 -1.036 1.00 0.00 H new ATOM 922 N LYS A 59 5.493 -1.745 -6.244 1.00 0.00 N ATOM 923 CA LYS A 59 6.124 -2.341 -7.413 1.00 0.00 C ATOM 924 C LYS A 59 5.392 -3.553 -7.977 1.00 0.00 C ATOM 925 O LYS A 59 5.049 -4.496 -7.260 1.00 0.00 O ATOM 926 CB LYS A 59 7.557 -2.748 -7.077 1.00 0.00 C ATOM 927 CG LYS A 59 8.368 -3.311 -8.234 1.00 0.00 C ATOM 928 CD LYS A 59 9.766 -3.666 -7.750 1.00 0.00 C ATOM 929 CE LYS A 59 10.620 -4.271 -8.849 1.00 0.00 C ATOM 930 NZ LYS A 59 11.962 -4.677 -8.341 1.00 0.00 N ATOM 0 H LYS A 59 5.077 -2.407 -5.589 1.00 0.00 H new ATOM 0 HA LYS A 59 6.095 -1.571 -8.184 1.00 0.00 H new ATOM 0 HB2 LYS A 59 8.079 -1.878 -6.680 1.00 0.00 H new ATOM 0 HB3 LYS A 59 7.527 -3.492 -6.281 1.00 0.00 H new ATOM 0 HG2 LYS A 59 7.877 -4.195 -8.640 1.00 0.00 H new ATOM 0 HG3 LYS A 59 8.426 -2.580 -9.041 1.00 0.00 H new ATOM 0 HD2 LYS A 59 10.253 -2.770 -7.366 1.00 0.00 H new ATOM 0 HD3 LYS A 59 9.693 -4.370 -6.921 1.00 0.00 H new ATOM 0 HE2 LYS A 59 10.112 -5.139 -9.269 1.00 0.00 H new ATOM 0 HE3 LYS A 59 10.739 -3.549 -9.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 12.518 -5.086 -9.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 12.456 -3.844 -7.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 11.848 -5.384 -7.587 1.00 0.00 H new ATOM 944 N PHE A 60 5.138 -3.535 -9.283 1.00 0.00 N ATOM 945 CA PHE A 60 4.491 -4.706 -9.874 1.00 0.00 C ATOM 946 C PHE A 60 5.547 -5.681 -10.365 1.00 0.00 C ATOM 947 O PHE A 60 6.573 -5.270 -10.910 1.00 0.00 O ATOM 948 CB PHE A 60 3.506 -4.386 -11.002 1.00 0.00 C ATOM 949 CG PHE A 60 2.230 -3.740 -10.559 1.00 0.00 C ATOM 950 CD1 PHE A 60 1.833 -3.795 -9.233 1.00 0.00 C ATOM 951 CD2 PHE A 60 1.417 -3.086 -11.470 1.00 0.00 C ATOM 952 CE1 PHE A 60 0.652 -3.199 -8.819 1.00 0.00 C ATOM 953 CE2 PHE A 60 0.235 -2.494 -11.061 1.00 0.00 C ATOM 954 CZ PHE A 60 -0.146 -2.545 -9.734 1.00 0.00 C ATOM 0 H PHE A 60 5.355 -2.771 -9.923 1.00 0.00 H new ATOM 0 HA PHE A 60 3.892 -5.151 -9.080 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.998 -3.730 -11.720 1.00 0.00 H new ATOM 0 HB3 PHE A 60 3.265 -5.310 -11.528 1.00 0.00 H new ATOM 0 HD1 PHE A 60 2.452 -4.309 -8.512 1.00 0.00 H new ATOM 0 HD2 PHE A 60 1.708 -3.038 -12.509 1.00 0.00 H new ATOM 0 HE1 PHE A 60 0.357 -3.247 -7.781 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -0.392 -1.990 -11.782 1.00 0.00 H new ATOM 0 HZ PHE A 60 -1.064 -2.075 -9.415 1.00 0.00 H new ATOM 964 N SER A 61 5.301 -6.972 -10.150 1.00 0.00 N ATOM 965 CA SER A 61 6.232 -7.993 -10.610 1.00 0.00 C ATOM 966 C SER A 61 5.948 -8.259 -12.065 1.00 0.00 C ATOM 967 O SER A 61 4.968 -7.757 -12.607 1.00 0.00 O ATOM 968 CB SER A 61 6.099 -9.312 -9.877 1.00 0.00 C ATOM 969 OG SER A 61 4.947 -10.015 -10.259 1.00 0.00 O ATOM 0 H SER A 61 4.477 -7.330 -9.667 1.00 0.00 H new ATOM 0 HA SER A 61 7.237 -7.613 -10.427 1.00 0.00 H new ATOM 0 HB2 SER A 61 6.979 -9.925 -10.073 1.00 0.00 H new ATOM 0 HB3 SER A 61 6.071 -9.128 -8.803 1.00 0.00 H new ATOM 0 HG SER A 61 4.174 -9.669 -9.765 1.00 0.00 H new ATOM 975 N SER A 62 6.773 -9.094 -12.683 1.00 0.00 N ATOM 976 CA SER A 62 6.591 -9.482 -14.076 1.00 0.00 C ATOM 977 C SER A 62 5.415 -10.444 -14.271 1.00 0.00 C ATOM 978 O SER A 62 5.050 -10.743 -15.409 1.00 0.00 O ATOM 979 CB SER A 62 7.855 -10.130 -14.608 1.00 0.00 C ATOM 980 OG SER A 62 8.097 -11.361 -13.982 1.00 0.00 O ATOM 0 H SER A 62 7.584 -9.520 -12.235 1.00 0.00 H new ATOM 0 HA SER A 62 6.371 -8.569 -14.629 1.00 0.00 H new ATOM 0 HB2 SER A 62 7.765 -10.278 -15.684 1.00 0.00 H new ATOM 0 HB3 SER A 62 8.703 -9.465 -14.447 1.00 0.00 H new ATOM 0 HG SER A 62 8.916 -11.757 -14.345 1.00 0.00 H new ATOM 986 N ARG A 63 4.837 -10.943 -13.176 1.00 0.00 N ATOM 987 CA ARG A 63 3.723 -11.869 -13.232 1.00 0.00 C ATOM 988 C ARG A 63 2.411 -11.187 -12.861 1.00 0.00 C ATOM 989 O ARG A 63 1.363 -11.642 -13.322 1.00 0.00 O ATOM 990 CB ARG A 63 3.992 -13.047 -12.313 1.00 0.00 C ATOM 991 CG ARG A 63 5.197 -13.884 -12.699 1.00 0.00 C ATOM 992 CD ARG A 63 4.947 -14.621 -13.964 1.00 0.00 C ATOM 993 NE ARG A 63 3.912 -15.632 -13.803 1.00 0.00 N ATOM 994 CZ ARG A 63 3.250 -16.231 -14.813 1.00 0.00 C ATOM 995 NH1 ARG A 63 3.521 -15.909 -16.058 1.00 0.00 N ATOM 996 NH2 ARG A 63 2.328 -17.141 -14.554 1.00 0.00 N ATOM 0 H ARG A 63 5.135 -10.711 -12.228 1.00 0.00 H new ATOM 0 HA ARG A 63 3.625 -12.227 -14.257 1.00 0.00 H new ATOM 0 HB2 ARG A 63 4.134 -12.675 -11.298 1.00 0.00 H new ATOM 0 HB3 ARG A 63 3.110 -13.688 -12.297 1.00 0.00 H new ATOM 0 HG2 ARG A 63 6.070 -13.241 -12.814 1.00 0.00 H new ATOM 0 HG3 ARG A 63 5.425 -14.590 -11.901 1.00 0.00 H new ATOM 0 HD2 ARG A 63 4.651 -13.918 -14.742 1.00 0.00 H new ATOM 0 HD3 ARG A 63 5.870 -15.095 -14.297 1.00 0.00 H new ATOM 0 HE ARG A 63 3.669 -15.909 -12.852 1.00 0.00 H new ATOM 0 HH11 ARG A 63 4.232 -15.206 -16.260 1.00 0.00 H new ATOM 0 HH12 ARG A 63 3.020 -16.362 -16.823 1.00 0.00 H new ATOM 0 HH21 ARG A 63 2.116 -17.392 -13.588 1.00 0.00 H new ATOM 0 HH22 ARG A 63 1.828 -17.593 -15.320 1.00 0.00 H new ATOM 1010 N TYR A 64 2.469 -10.174 -11.984 1.00 0.00 N ATOM 1011 CA TYR A 64 1.325 -9.329 -11.614 1.00 0.00 C ATOM 1012 C TYR A 64 0.261 -9.225 -12.721 1.00 0.00 C ATOM 1013 O TYR A 64 0.572 -8.816 -13.841 1.00 0.00 O ATOM 1014 CB TYR A 64 1.771 -7.915 -11.247 1.00 0.00 C ATOM 1015 CG TYR A 64 0.593 -7.077 -10.807 1.00 0.00 C ATOM 1016 CD1 TYR A 64 0.198 -7.099 -9.479 1.00 0.00 C ATOM 1017 CD2 TYR A 64 -0.118 -6.316 -11.724 1.00 0.00 C ATOM 1018 CE1 TYR A 64 -0.893 -6.359 -9.077 1.00 0.00 C ATOM 1019 CE2 TYR A 64 -1.210 -5.578 -11.311 1.00 0.00 C ATOM 1020 CZ TYR A 64 -1.605 -5.595 -9.992 1.00 0.00 C ATOM 1021 OH TYR A 64 -2.683 -4.849 -9.560 1.00 0.00 O ATOM 0 H TYR A 64 3.330 -9.914 -11.503 1.00 0.00 H new ATOM 0 HA TYR A 64 0.878 -9.823 -10.751 1.00 0.00 H new ATOM 0 HB2 TYR A 64 2.511 -7.958 -10.448 1.00 0.00 H new ATOM 0 HB3 TYR A 64 2.255 -7.448 -12.104 1.00 0.00 H new ATOM 0 HD1 TYR A 64 0.743 -7.694 -8.761 1.00 0.00 H new ATOM 0 HD2 TYR A 64 0.183 -6.301 -12.761 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -1.197 -6.374 -8.041 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -1.758 -4.984 -12.027 1.00 0.00 H new ATOM 0 HH TYR A 64 -2.989 -4.265 -10.286 1.00 0.00 H new ATOM 1031 N PRO A 65 -1.011 -9.500 -12.428 1.00 0.00 N ATOM 1032 CA PRO A 65 -1.606 -9.828 -11.152 1.00 0.00 C ATOM 1033 C PRO A 65 -1.674 -11.295 -10.771 1.00 0.00 C ATOM 1034 O PRO A 65 -2.507 -11.681 -9.953 1.00 0.00 O ATOM 1035 CB PRO A 65 -2.992 -9.221 -11.378 1.00 0.00 C ATOM 1036 CG PRO A 65 -3.270 -9.452 -12.835 1.00 0.00 C ATOM 1037 CD PRO A 65 -1.938 -9.260 -13.533 1.00 0.00 C ATOM 0 HA PRO A 65 -1.023 -9.457 -10.309 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -3.743 -9.701 -10.750 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -3.005 -8.158 -11.135 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -3.663 -10.454 -13.006 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -4.015 -8.750 -13.209 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -1.796 -9.965 -14.352 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -1.831 -8.259 -13.952 1.00 0.00 H new ATOM 1045 N PHE A 66 -0.818 -12.117 -11.369 1.00 0.00 N ATOM 1046 CA PHE A 66 -0.698 -13.510 -10.969 1.00 0.00 C ATOM 1047 C PHE A 66 -0.127 -13.451 -9.558 1.00 0.00 C ATOM 1048 O PHE A 66 -0.642 -14.070 -8.625 1.00 0.00 O ATOM 1049 CB PHE A 66 0.230 -14.245 -11.930 1.00 0.00 C ATOM 1050 CG PHE A 66 0.501 -15.684 -11.620 1.00 0.00 C ATOM 1051 CD1 PHE A 66 -0.407 -16.675 -11.959 1.00 0.00 C ATOM 1052 CD2 PHE A 66 1.678 -16.048 -10.988 1.00 0.00 C ATOM 1053 CE1 PHE A 66 -0.139 -18.001 -11.674 1.00 0.00 C ATOM 1054 CE2 PHE A 66 1.949 -17.370 -10.700 1.00 0.00 C ATOM 1055 CZ PHE A 66 1.038 -18.348 -11.044 1.00 0.00 C ATOM 0 H PHE A 66 -0.199 -11.841 -12.131 1.00 0.00 H new ATOM 0 HA PHE A 66 -1.644 -14.050 -10.991 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -0.197 -14.185 -12.931 1.00 0.00 H new ATOM 0 HB3 PHE A 66 1.182 -13.716 -11.958 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -1.332 -16.409 -12.450 1.00 0.00 H new ATOM 0 HD2 PHE A 66 2.394 -15.286 -10.717 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -0.852 -18.766 -11.945 1.00 0.00 H new ATOM 0 HE2 PHE A 66 2.871 -17.639 -10.207 1.00 0.00 H new ATOM 0 HZ PHE A 66 1.246 -19.384 -10.820 1.00 0.00 H new ATOM 1065 N ASP A 67 0.973 -12.712 -9.441 1.00 0.00 N ATOM 1066 CA ASP A 67 1.628 -12.435 -8.175 1.00 0.00 C ATOM 1067 C ASP A 67 1.182 -11.093 -7.608 1.00 0.00 C ATOM 1068 O ASP A 67 0.760 -10.198 -8.340 1.00 0.00 O ATOM 1069 CB ASP A 67 3.146 -12.447 -8.320 1.00 0.00 C ATOM 1070 CG ASP A 67 3.731 -13.828 -8.560 1.00 0.00 C ATOM 1071 OD1 ASP A 67 3.094 -14.794 -8.214 1.00 0.00 O ATOM 1072 OD2 ASP A 67 4.818 -13.903 -9.078 1.00 0.00 O ATOM 0 H ASP A 67 1.439 -12.283 -10.241 1.00 0.00 H new ATOM 0 HA ASP A 67 1.336 -13.227 -7.485 1.00 0.00 H new ATOM 0 HB2 ASP A 67 3.427 -11.795 -9.147 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.591 -12.027 -7.418 1.00 0.00 H new ATOM 1077 N SER A 68 1.277 -10.981 -6.291 1.00 0.00 N ATOM 1078 CA SER A 68 0.934 -9.774 -5.556 1.00 0.00 C ATOM 1079 C SER A 68 2.015 -8.695 -5.681 1.00 0.00 C ATOM 1080 O SER A 68 3.170 -9.029 -5.947 1.00 0.00 O ATOM 1081 CB SER A 68 0.743 -10.175 -4.115 1.00 0.00 C ATOM 1082 OG SER A 68 1.955 -10.604 -3.557 1.00 0.00 O ATOM 0 H SER A 68 1.601 -11.741 -5.693 1.00 0.00 H new ATOM 0 HA SER A 68 0.024 -9.336 -5.968 1.00 0.00 H new ATOM 0 HB2 SER A 68 0.353 -9.331 -3.546 1.00 0.00 H new ATOM 0 HB3 SER A 68 0.003 -10.973 -4.049 1.00 0.00 H new ATOM 0 HG SER A 68 1.774 -11.224 -2.820 1.00 0.00 H new ATOM 1088 N PRO A 69 1.680 -7.412 -5.495 1.00 0.00 N ATOM 1089 CA PRO A 69 2.595 -6.290 -5.546 1.00 0.00 C ATOM 1090 C PRO A 69 3.475 -6.116 -4.315 1.00 0.00 C ATOM 1091 O PRO A 69 3.132 -6.559 -3.220 1.00 0.00 O ATOM 1092 CB PRO A 69 1.608 -5.131 -5.709 1.00 0.00 C ATOM 1093 CG PRO A 69 0.340 -5.592 -5.060 1.00 0.00 C ATOM 1094 CD PRO A 69 0.262 -7.069 -5.371 1.00 0.00 C ATOM 0 HA PRO A 69 3.341 -6.393 -6.334 1.00 0.00 H new ATOM 0 HB2 PRO A 69 1.985 -4.225 -5.235 1.00 0.00 H new ATOM 0 HB3 PRO A 69 1.448 -4.897 -6.761 1.00 0.00 H new ATOM 0 HG2 PRO A 69 0.359 -5.415 -3.985 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -0.524 -5.058 -5.456 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -0.229 -7.631 -4.576 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -0.291 -7.267 -6.289 1.00 0.00 H new ATOM 1102 N GLN A 70 4.619 -5.468 -4.504 1.00 0.00 N ATOM 1103 CA GLN A 70 5.516 -5.187 -3.393 1.00 0.00 C ATOM 1104 C GLN A 70 5.065 -3.895 -2.741 1.00 0.00 C ATOM 1105 O GLN A 70 4.812 -2.916 -3.443 1.00 0.00 O ATOM 1106 CB GLN A 70 6.967 -5.062 -3.845 1.00 0.00 C ATOM 1107 CG GLN A 70 7.951 -4.858 -2.707 1.00 0.00 C ATOM 1108 CD GLN A 70 9.388 -4.813 -3.187 1.00 0.00 C ATOM 1109 OE1 GLN A 70 9.671 -4.434 -4.327 1.00 0.00 O ATOM 1110 NE2 GLN A 70 10.310 -5.206 -2.316 1.00 0.00 N ATOM 0 H GLN A 70 4.944 -5.130 -5.410 1.00 0.00 H new ATOM 0 HA GLN A 70 5.474 -6.017 -2.688 1.00 0.00 H new ATOM 0 HB2 GLN A 70 7.244 -5.961 -4.395 1.00 0.00 H new ATOM 0 HB3 GLN A 70 7.050 -4.225 -4.539 1.00 0.00 H new ATOM 0 HG2 GLN A 70 7.715 -3.929 -2.188 1.00 0.00 H new ATOM 0 HG3 GLN A 70 7.838 -5.665 -1.983 1.00 0.00 H new ATOM 0 HE21 GLN A 70 10.033 -5.512 -1.383 1.00 0.00 H new ATOM 0 HE22 GLN A 70 11.295 -5.202 -2.580 1.00 0.00 H new ATOM 1119 N VAL A 71 4.942 -3.895 -1.414 1.00 0.00 N ATOM 1120 CA VAL A 71 4.535 -2.689 -0.696 1.00 0.00 C ATOM 1121 C VAL A 71 5.538 -2.345 0.412 1.00 0.00 C ATOM 1122 O VAL A 71 5.700 -3.125 1.352 1.00 0.00 O ATOM 1123 CB VAL A 71 3.144 -2.868 -0.058 1.00 0.00 C ATOM 1124 CG1 VAL A 71 2.770 -1.577 0.654 1.00 0.00 C ATOM 1125 CG2 VAL A 71 2.130 -3.272 -1.118 1.00 0.00 C ATOM 0 H VAL A 71 5.116 -4.706 -0.821 1.00 0.00 H new ATOM 0 HA VAL A 71 4.501 -1.879 -1.425 1.00 0.00 H new ATOM 0 HB VAL A 71 3.155 -3.671 0.679 1.00 0.00 H new ATOM 0 HG11 VAL A 71 1.787 -1.686 1.112 1.00 0.00 H new ATOM 0 HG12 VAL A 71 3.508 -1.360 1.426 1.00 0.00 H new ATOM 0 HG13 VAL A 71 2.747 -0.758 -0.065 1.00 0.00 H new ATOM 0 HG21 VAL A 71 1.151 -3.396 -0.656 1.00 0.00 H new ATOM 0 HG22 VAL A 71 2.075 -2.497 -1.883 1.00 0.00 H new ATOM 0 HG23 VAL A 71 2.437 -4.213 -1.575 1.00 0.00 H new ATOM 1135 N MET A 72 6.207 -1.193 0.309 1.00 0.00 N ATOM 1136 CA MET A 72 7.167 -0.798 1.344 1.00 0.00 C ATOM 1137 C MET A 72 7.053 0.648 1.818 1.00 0.00 C ATOM 1138 O MET A 72 6.581 1.527 1.110 1.00 0.00 O ATOM 1139 CB MET A 72 8.599 -1.011 0.860 1.00 0.00 C ATOM 1140 CG MET A 72 8.986 -2.447 0.550 1.00 0.00 C ATOM 1141 SD MET A 72 10.718 -2.580 0.073 1.00 0.00 S ATOM 1142 CE MET A 72 11.488 -2.281 1.663 1.00 0.00 C ATOM 0 H MET A 72 6.106 -0.531 -0.461 1.00 0.00 H new ATOM 0 HA MET A 72 6.919 -1.438 2.191 1.00 0.00 H new ATOM 0 HB2 MET A 72 8.752 -0.412 -0.038 1.00 0.00 H new ATOM 0 HB3 MET A 72 9.280 -0.627 1.620 1.00 0.00 H new ATOM 0 HG2 MET A 72 8.800 -3.071 1.424 1.00 0.00 H new ATOM 0 HG3 MET A 72 8.356 -2.828 -0.254 1.00 0.00 H new ATOM 0 HE1 MET A 72 12.502 -2.680 1.657 1.00 0.00 H new ATOM 0 HE2 MET A 72 11.521 -1.209 1.855 1.00 0.00 H new ATOM 0 HE3 MET A 72 10.910 -2.772 2.445 1.00 0.00 H new ATOM 1152 N PHE A 73 7.481 0.923 3.042 1.00 0.00 N ATOM 1153 CA PHE A 73 7.441 2.307 3.503 1.00 0.00 C ATOM 1154 C PHE A 73 8.496 3.193 2.837 1.00 0.00 C ATOM 1155 O PHE A 73 9.681 2.857 2.832 1.00 0.00 O ATOM 1156 CB PHE A 73 7.545 2.451 5.022 1.00 0.00 C ATOM 1157 CG PHE A 73 7.406 3.901 5.390 1.00 0.00 C ATOM 1158 CD1 PHE A 73 6.157 4.504 5.358 1.00 0.00 C ATOM 1159 CD2 PHE A 73 8.505 4.669 5.740 1.00 0.00 C ATOM 1160 CE1 PHE A 73 6.009 5.842 5.666 1.00 0.00 C ATOM 1161 CE2 PHE A 73 8.359 6.004 6.051 1.00 0.00 C ATOM 1162 CZ PHE A 73 7.111 6.592 6.013 1.00 0.00 C ATOM 0 H PHE A 73 7.845 0.243 3.709 1.00 0.00 H new ATOM 0 HA PHE A 73 6.453 2.653 3.198 1.00 0.00 H new ATOM 0 HB2 PHE A 73 6.767 1.863 5.509 1.00 0.00 H new ATOM 0 HB3 PHE A 73 8.502 2.065 5.371 1.00 0.00 H new ATOM 0 HD1 PHE A 73 5.290 3.920 5.089 1.00 0.00 H new ATOM 0 HD2 PHE A 73 9.486 4.217 5.769 1.00 0.00 H new ATOM 0 HE1 PHE A 73 5.031 6.299 5.635 1.00 0.00 H new ATOM 0 HE2 PHE A 73 9.223 6.591 6.325 1.00 0.00 H new ATOM 0 HZ PHE A 73 6.999 7.639 6.255 1.00 0.00 H new ATOM 1172 N THR A 74 8.056 4.320 2.275 1.00 0.00 N ATOM 1173 CA THR A 74 8.935 5.310 1.653 1.00 0.00 C ATOM 1174 C THR A 74 9.191 6.501 2.569 1.00 0.00 C ATOM 1175 O THR A 74 8.270 7.229 2.934 1.00 0.00 O ATOM 1176 CB THR A 74 8.343 5.833 0.329 1.00 0.00 C ATOM 1177 OG1 THR A 74 8.221 4.749 -0.592 1.00 0.00 O ATOM 1178 CG2 THR A 74 9.204 6.926 -0.280 1.00 0.00 C ATOM 0 H THR A 74 7.069 4.573 2.239 1.00 0.00 H new ATOM 0 HA THR A 74 9.878 4.798 1.460 1.00 0.00 H new ATOM 0 HB THR A 74 7.364 6.262 0.541 1.00 0.00 H new ATOM 0 HG1 THR A 74 7.843 5.077 -1.435 1.00 0.00 H new ATOM 0 HG21 THR A 74 8.753 7.268 -1.212 1.00 0.00 H new ATOM 0 HG22 THR A 74 9.277 7.762 0.416 1.00 0.00 H new ATOM 0 HG23 THR A 74 10.201 6.534 -0.482 1.00 0.00 H new ATOM 1186 N GLY A 75 10.453 6.725 2.917 1.00 0.00 N ATOM 1187 CA GLY A 75 10.792 7.850 3.782 1.00 0.00 C ATOM 1188 C GLY A 75 11.732 7.467 4.917 1.00 0.00 C ATOM 1189 O GLY A 75 12.003 6.290 5.155 1.00 0.00 O ATOM 0 H GLY A 75 11.245 6.155 2.621 1.00 0.00 H new ATOM 0 HA2 GLY A 75 11.255 8.634 3.183 1.00 0.00 H new ATOM 0 HA3 GLY A 75 9.876 8.267 4.201 1.00 0.00 H new ATOM 1193 N GLU A 76 12.223 8.488 5.615 1.00 0.00 N ATOM 1194 CA GLU A 76 13.158 8.333 6.726 1.00 0.00 C ATOM 1195 C GLU A 76 12.509 8.119 8.092 1.00 0.00 C ATOM 1196 O GLU A 76 13.209 7.831 9.064 1.00 0.00 O ATOM 1197 CB GLU A 76 14.060 9.567 6.806 1.00 0.00 C ATOM 1198 CG GLU A 76 14.983 9.753 5.610 1.00 0.00 C ATOM 1199 CD GLU A 76 15.830 10.991 5.713 1.00 0.00 C ATOM 1200 OE1 GLU A 76 15.657 11.729 6.653 1.00 0.00 O ATOM 1201 OE2 GLU A 76 16.651 11.198 4.851 1.00 0.00 O ATOM 0 H GLU A 76 11.979 9.459 5.422 1.00 0.00 H new ATOM 0 HA GLU A 76 13.718 7.424 6.507 1.00 0.00 H new ATOM 0 HB2 GLU A 76 13.434 10.453 6.907 1.00 0.00 H new ATOM 0 HB3 GLU A 76 14.666 9.501 7.710 1.00 0.00 H new ATOM 0 HG2 GLU A 76 15.631 8.882 5.519 1.00 0.00 H new ATOM 0 HG3 GLU A 76 14.385 9.802 4.700 1.00 0.00 H new ATOM 1208 N ASN A 77 11.190 8.261 8.182 1.00 0.00 N ATOM 1209 CA ASN A 77 10.511 8.088 9.460 1.00 0.00 C ATOM 1210 C ASN A 77 9.423 7.037 9.348 1.00 0.00 C ATOM 1211 O ASN A 77 8.298 7.334 8.950 1.00 0.00 O ATOM 1212 CB ASN A 77 9.940 9.412 9.932 1.00 0.00 C ATOM 1213 CG ASN A 77 9.310 9.335 11.295 1.00 0.00 C ATOM 1214 OD1 ASN A 77 9.158 8.252 11.870 1.00 0.00 O ATOM 1215 ND2 ASN A 77 8.939 10.473 11.825 1.00 0.00 N ATOM 0 H ASN A 77 10.579 8.492 7.399 1.00 0.00 H new ATOM 0 HA ASN A 77 11.235 7.744 10.198 1.00 0.00 H new ATOM 0 HB2 ASN A 77 10.735 10.158 9.948 1.00 0.00 H new ATOM 0 HB3 ASN A 77 9.195 9.755 9.214 1.00 0.00 H new ATOM 0 HD21 ASN A 77 8.505 10.488 12.748 1.00 0.00 H new ATOM 0 HD22 ASN A 77 9.084 11.344 11.315 1.00 0.00 H new ATOM 1222 N ILE A 78 9.775 5.816 9.738 1.00 0.00 N ATOM 1223 CA ILE A 78 8.880 4.672 9.668 1.00 0.00 C ATOM 1224 C ILE A 78 7.824 4.686 10.785 1.00 0.00 C ATOM 1225 O ILE A 78 8.190 4.789 11.955 1.00 0.00 O ATOM 1226 CB ILE A 78 9.702 3.380 9.712 1.00 0.00 C ATOM 1227 CG1 ILE A 78 10.585 3.347 8.464 1.00 0.00 C ATOM 1228 CG2 ILE A 78 8.806 2.162 9.784 1.00 0.00 C ATOM 1229 CD1 ILE A 78 11.623 2.261 8.456 1.00 0.00 C ATOM 0 H ILE A 78 10.697 5.594 10.114 1.00 0.00 H new ATOM 0 HA ILE A 78 8.335 4.728 8.726 1.00 0.00 H new ATOM 0 HB ILE A 78 10.322 3.361 10.609 1.00 0.00 H new ATOM 0 HG12 ILE A 78 9.948 3.228 7.588 1.00 0.00 H new ATOM 0 HG13 ILE A 78 11.086 4.310 8.365 1.00 0.00 H new ATOM 0 HG21 ILE A 78 9.419 1.261 9.814 1.00 0.00 H new ATOM 0 HG22 ILE A 78 8.193 2.214 10.684 1.00 0.00 H new ATOM 0 HG23 ILE A 78 8.160 2.133 8.906 1.00 0.00 H new ATOM 0 HD11 ILE A 78 12.200 2.316 7.533 1.00 0.00 H new ATOM 0 HD12 ILE A 78 12.289 2.388 9.309 1.00 0.00 H new ATOM 0 HD13 ILE A 78 11.133 1.289 8.520 1.00 0.00 H new ATOM 1241 N PRO A 79 6.528 4.597 10.449 1.00 0.00 N ATOM 1242 CA PRO A 79 5.397 4.603 11.361 1.00 0.00 C ATOM 1243 C PRO A 79 5.353 3.557 12.460 1.00 0.00 C ATOM 1244 O PRO A 79 5.759 2.408 12.275 1.00 0.00 O ATOM 1245 CB PRO A 79 4.238 4.356 10.387 1.00 0.00 C ATOM 1246 CG PRO A 79 4.721 4.882 9.074 1.00 0.00 C ATOM 1247 CD PRO A 79 6.188 4.593 9.025 1.00 0.00 C ATOM 0 HA PRO A 79 5.404 5.525 11.942 1.00 0.00 H new ATOM 0 HB2 PRO A 79 3.995 3.295 10.323 1.00 0.00 H new ATOM 0 HB3 PRO A 79 3.333 4.871 10.710 1.00 0.00 H new ATOM 0 HG2 PRO A 79 4.201 4.400 8.246 1.00 0.00 H new ATOM 0 HG3 PRO A 79 4.532 5.952 8.990 1.00 0.00 H new ATOM 0 HD2 PRO A 79 6.403 3.634 8.554 1.00 0.00 H new ATOM 0 HD3 PRO A 79 6.738 5.352 8.469 1.00 0.00 H new ATOM 1255 N VAL A 80 4.826 3.974 13.606 1.00 0.00 N ATOM 1256 CA VAL A 80 4.623 3.060 14.717 1.00 0.00 C ATOM 1257 C VAL A 80 3.245 2.458 14.509 1.00 0.00 C ATOM 1258 O VAL A 80 2.227 3.138 14.669 1.00 0.00 O ATOM 1259 CB VAL A 80 4.721 3.768 16.079 1.00 0.00 C ATOM 1260 CG1 VAL A 80 4.465 2.764 17.194 1.00 0.00 C ATOM 1261 CG2 VAL A 80 6.101 4.390 16.225 1.00 0.00 C ATOM 0 H VAL A 80 4.534 4.934 13.787 1.00 0.00 H new ATOM 0 HA VAL A 80 5.400 2.296 14.735 1.00 0.00 H new ATOM 0 HB VAL A 80 3.971 4.557 16.142 1.00 0.00 H new ATOM 0 HG11 VAL A 80 4.535 3.266 18.159 1.00 0.00 H new ATOM 0 HG12 VAL A 80 3.469 2.338 17.078 1.00 0.00 H new ATOM 0 HG13 VAL A 80 5.208 1.968 17.145 1.00 0.00 H new ATOM 0 HG21 VAL A 80 6.173 4.893 17.190 1.00 0.00 H new ATOM 0 HG22 VAL A 80 6.860 3.610 16.164 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.260 5.114 15.426 1.00 0.00 H new ATOM 1271 N HIS A 81 3.247 1.183 14.156 1.00 0.00 N ATOM 1272 CA HIS A 81 2.048 0.429 13.838 1.00 0.00 C ATOM 1273 C HIS A 81 2.371 -1.065 13.881 1.00 0.00 C ATOM 1274 O HIS A 81 3.450 -1.446 13.432 1.00 0.00 O ATOM 1275 CB HIS A 81 1.557 0.828 12.442 1.00 0.00 C ATOM 1276 CG HIS A 81 0.255 0.230 12.018 1.00 0.00 C ATOM 1277 ND1 HIS A 81 0.142 -1.079 11.600 1.00 0.00 N ATOM 1278 CD2 HIS A 81 -0.988 0.758 11.941 1.00 0.00 C ATOM 1279 CE1 HIS A 81 -1.118 -1.326 11.289 1.00 0.00 C ATOM 1280 NE2 HIS A 81 -1.820 -0.232 11.487 1.00 0.00 N ATOM 0 H HIS A 81 4.102 0.632 14.081 1.00 0.00 H new ATOM 0 HA HIS A 81 1.264 0.645 14.564 1.00 0.00 H new ATOM 0 HB2 HIS A 81 1.466 1.914 12.405 1.00 0.00 H new ATOM 0 HB3 HIS A 81 2.319 0.547 11.715 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -1.272 1.770 12.190 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -1.506 -2.268 10.932 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -2.823 -0.136 11.328 1.00 0.00 H new ATOM 1288 N PRO A 82 1.491 -1.938 14.385 1.00 0.00 N ATOM 1289 CA PRO A 82 1.700 -3.377 14.433 1.00 0.00 C ATOM 1290 C PRO A 82 2.115 -4.055 13.125 1.00 0.00 C ATOM 1291 O PRO A 82 2.808 -5.074 13.160 1.00 0.00 O ATOM 1292 CB PRO A 82 0.314 -3.835 14.899 1.00 0.00 C ATOM 1293 CG PRO A 82 -0.196 -2.697 15.738 1.00 0.00 C ATOM 1294 CD PRO A 82 0.296 -1.436 15.075 1.00 0.00 C ATOM 0 HA PRO A 82 2.545 -3.646 15.067 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -0.345 -4.031 14.053 1.00 0.00 H new ATOM 0 HB3 PRO A 82 0.374 -4.758 15.476 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -1.285 -2.710 15.792 1.00 0.00 H new ATOM 0 HG3 PRO A 82 0.175 -2.770 16.760 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -0.436 -1.020 14.383 1.00 0.00 H new ATOM 0 HD3 PRO A 82 0.533 -0.655 15.797 1.00 0.00 H new ATOM 1302 N HIS A 83 1.695 -3.522 11.982 1.00 0.00 N ATOM 1303 CA HIS A 83 2.042 -4.115 10.701 1.00 0.00 C ATOM 1304 C HIS A 83 3.097 -3.315 9.936 1.00 0.00 C ATOM 1305 O HIS A 83 3.351 -3.573 8.760 1.00 0.00 O ATOM 1306 CB HIS A 83 0.771 -4.247 9.868 1.00 0.00 C ATOM 1307 CG HIS A 83 -0.232 -5.162 10.504 1.00 0.00 C ATOM 1308 ND1 HIS A 83 -1.092 -4.743 11.497 1.00 0.00 N ATOM 1309 CD2 HIS A 83 -0.519 -6.467 10.291 1.00 0.00 C ATOM 1310 CE1 HIS A 83 -1.861 -5.750 11.869 1.00 0.00 C ATOM 1311 NE2 HIS A 83 -1.534 -6.808 11.151 1.00 0.00 N ATOM 0 H HIS A 83 1.117 -2.684 11.919 1.00 0.00 H new ATOM 0 HA HIS A 83 2.484 -5.093 10.892 1.00 0.00 H new ATOM 0 HB2 HIS A 83 0.325 -3.262 9.730 1.00 0.00 H new ATOM 0 HB3 HIS A 83 1.026 -4.623 8.877 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -0.039 -7.120 9.577 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -2.626 -5.714 12.630 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -1.965 -7.730 11.223 1.00 0.00 H new ATOM 1319 N VAL A 84 3.738 -2.339 10.576 1.00 0.00 N ATOM 1320 CA VAL A 84 4.767 -1.578 9.875 1.00 0.00 C ATOM 1321 C VAL A 84 6.119 -1.843 10.524 1.00 0.00 C ATOM 1322 O VAL A 84 6.332 -1.566 11.704 1.00 0.00 O ATOM 1323 CB VAL A 84 4.445 -0.071 9.864 1.00 0.00 C ATOM 1324 CG1 VAL A 84 5.558 0.686 9.163 1.00 0.00 C ATOM 1325 CG2 VAL A 84 3.130 0.162 9.131 1.00 0.00 C ATOM 0 H VAL A 84 3.571 -2.064 11.544 1.00 0.00 H new ATOM 0 HA VAL A 84 4.797 -1.904 8.835 1.00 0.00 H new ATOM 0 HB VAL A 84 4.358 0.287 10.890 1.00 0.00 H new ATOM 0 HG11 VAL A 84 5.326 1.751 9.157 1.00 0.00 H new ATOM 0 HG12 VAL A 84 6.498 0.522 9.690 1.00 0.00 H new ATOM 0 HG13 VAL A 84 5.650 0.330 8.137 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.902 1.228 9.123 1.00 0.00 H new ATOM 0 HG22 VAL A 84 3.216 -0.198 8.106 1.00 0.00 H new ATOM 0 HG23 VAL A 84 2.330 -0.377 9.639 1.00 0.00 H new ATOM 1335 N TYR A 85 7.036 -2.376 9.730 1.00 0.00 N ATOM 1336 CA TYR A 85 8.359 -2.739 10.202 1.00 0.00 C ATOM 1337 C TYR A 85 9.432 -1.727 9.874 1.00 0.00 C ATOM 1338 O TYR A 85 9.341 -1.008 8.881 1.00 0.00 O ATOM 1339 CB TYR A 85 8.745 -4.079 9.597 1.00 0.00 C ATOM 1340 CG TYR A 85 7.907 -5.218 10.122 1.00 0.00 C ATOM 1341 CD1 TYR A 85 6.681 -5.515 9.546 1.00 0.00 C ATOM 1342 CD2 TYR A 85 8.378 -5.972 11.186 1.00 0.00 C ATOM 1343 CE1 TYR A 85 5.927 -6.558 10.040 1.00 0.00 C ATOM 1344 CE2 TYR A 85 7.623 -7.019 11.677 1.00 0.00 C ATOM 1345 CZ TYR A 85 6.401 -7.312 11.107 1.00 0.00 C ATOM 1346 OH TYR A 85 5.647 -8.354 11.595 1.00 0.00 O ATOM 0 H TYR A 85 6.881 -2.568 8.740 1.00 0.00 H new ATOM 0 HA TYR A 85 8.299 -2.783 11.289 1.00 0.00 H new ATOM 0 HB2 TYR A 85 8.642 -4.027 8.513 1.00 0.00 H new ATOM 0 HB3 TYR A 85 9.796 -4.279 9.808 1.00 0.00 H new ATOM 0 HD1 TYR A 85 6.318 -4.931 8.713 1.00 0.00 H new ATOM 0 HD2 TYR A 85 9.335 -5.741 11.631 1.00 0.00 H new ATOM 0 HE1 TYR A 85 4.969 -6.789 9.598 1.00 0.00 H new ATOM 0 HE2 TYR A 85 7.988 -7.607 12.506 1.00 0.00 H new ATOM 0 HH TYR A 85 6.121 -8.780 12.340 1.00 0.00 H new ATOM 1356 N SER A 86 10.475 -1.723 10.705 1.00 0.00 N ATOM 1357 CA SER A 86 11.630 -0.835 10.579 1.00 0.00 C ATOM 1358 C SER A 86 12.495 -1.132 9.352 1.00 0.00 C ATOM 1359 O SER A 86 13.403 -0.365 9.033 1.00 0.00 O ATOM 1360 CB SER A 86 12.480 -0.904 11.832 1.00 0.00 C ATOM 1361 OG SER A 86 13.074 -2.164 12.002 1.00 0.00 O ATOM 0 H SER A 86 10.541 -2.353 11.504 1.00 0.00 H new ATOM 0 HA SER A 86 11.231 0.171 10.447 1.00 0.00 H new ATOM 0 HB2 SER A 86 13.257 -0.141 11.784 1.00 0.00 H new ATOM 0 HB3 SER A 86 11.863 -0.675 12.701 1.00 0.00 H new ATOM 0 HG SER A 86 13.614 -2.164 12.820 1.00 0.00 H new ATOM 1367 N ASN A 87 12.239 -2.253 8.682 1.00 0.00 N ATOM 1368 CA ASN A 87 12.918 -2.587 7.445 1.00 0.00 C ATOM 1369 C ASN A 87 12.100 -2.110 6.238 1.00 0.00 C ATOM 1370 O ASN A 87 12.499 -2.340 5.096 1.00 0.00 O ATOM 1371 CB ASN A 87 13.138 -4.083 7.364 1.00 0.00 C ATOM 1372 CG ASN A 87 14.094 -4.576 8.410 1.00 0.00 C ATOM 1373 OD1 ASN A 87 15.062 -3.897 8.773 1.00 0.00 O ATOM 1374 ND2 ASN A 87 13.828 -5.756 8.907 1.00 0.00 N ATOM 0 H ASN A 87 11.557 -2.949 8.984 1.00 0.00 H new ATOM 0 HA ASN A 87 13.884 -2.083 7.431 1.00 0.00 H new ATOM 0 HB2 ASN A 87 12.183 -4.595 7.478 1.00 0.00 H new ATOM 0 HB3 ASN A 87 13.521 -4.339 6.376 1.00 0.00 H new ATOM 0 HD21 ASN A 87 14.431 -6.154 9.627 1.00 0.00 H new ATOM 0 HD22 ASN A 87 13.017 -6.278 8.575 1.00 0.00 H new ATOM 1381 N GLY A 88 10.959 -1.452 6.482 1.00 0.00 N ATOM 1382 CA GLY A 88 10.084 -0.948 5.432 1.00 0.00 C ATOM 1383 C GLY A 88 8.932 -1.901 5.109 1.00 0.00 C ATOM 1384 O GLY A 88 8.021 -1.539 4.369 1.00 0.00 O ATOM 0 H GLY A 88 10.620 -1.256 7.424 1.00 0.00 H new ATOM 0 HA2 GLY A 88 9.677 0.016 5.737 1.00 0.00 H new ATOM 0 HA3 GLY A 88 10.670 -0.775 4.529 1.00 0.00 H new ATOM 1388 N HIS A 89 8.937 -3.107 5.670 1.00 0.00 N ATOM 1389 CA HIS A 89 7.894 -4.079 5.364 1.00 0.00 C ATOM 1390 C HIS A 89 6.506 -3.678 5.861 1.00 0.00 C ATOM 1391 O HIS A 89 6.320 -3.226 6.991 1.00 0.00 O ATOM 1392 CB HIS A 89 8.301 -5.437 5.954 1.00 0.00 C ATOM 1393 CG HIS A 89 7.424 -6.599 5.609 1.00 0.00 C ATOM 1394 ND1 HIS A 89 6.219 -6.843 6.234 1.00 0.00 N ATOM 1395 CD2 HIS A 89 7.588 -7.589 4.703 1.00 0.00 C ATOM 1396 CE1 HIS A 89 5.683 -7.940 5.727 1.00 0.00 C ATOM 1397 NE2 HIS A 89 6.492 -8.410 4.796 1.00 0.00 N ATOM 0 H HIS A 89 9.643 -3.431 6.331 1.00 0.00 H new ATOM 0 HA HIS A 89 7.809 -4.132 4.279 1.00 0.00 H new ATOM 0 HB2 HIS A 89 9.315 -5.664 5.624 1.00 0.00 H new ATOM 0 HB3 HIS A 89 8.333 -5.343 7.039 1.00 0.00 H new ATOM 0 HD2 HIS A 89 8.425 -7.711 4.032 1.00 0.00 H new ATOM 0 HE1 HIS A 89 4.742 -8.378 6.025 1.00 0.00 H new ATOM 0 HE2 HIS A 89 6.329 -9.247 4.237 1.00 0.00 H new ATOM 1405 N ILE A 90 5.520 -3.819 4.978 1.00 0.00 N ATOM 1406 CA ILE A 90 4.130 -3.535 5.324 1.00 0.00 C ATOM 1407 C ILE A 90 3.400 -4.882 5.368 1.00 0.00 C ATOM 1408 O ILE A 90 3.206 -5.532 4.337 1.00 0.00 O ATOM 1409 CB ILE A 90 3.480 -2.571 4.306 1.00 0.00 C ATOM 1410 CG1 ILE A 90 4.333 -1.299 4.154 1.00 0.00 C ATOM 1411 CG2 ILE A 90 2.081 -2.185 4.772 1.00 0.00 C ATOM 1412 CD1 ILE A 90 4.527 -0.503 5.423 1.00 0.00 C ATOM 0 H ILE A 90 5.659 -4.129 4.016 1.00 0.00 H new ATOM 0 HA ILE A 90 4.069 -3.034 6.290 1.00 0.00 H new ATOM 0 HB ILE A 90 3.417 -3.078 3.343 1.00 0.00 H new ATOM 0 HG12 ILE A 90 5.312 -1.581 3.767 1.00 0.00 H new ATOM 0 HG13 ILE A 90 3.868 -0.655 3.407 1.00 0.00 H new ATOM 0 HG21 ILE A 90 1.631 -1.505 4.048 1.00 0.00 H new ATOM 0 HG22 ILE A 90 1.466 -3.081 4.859 1.00 0.00 H new ATOM 0 HG23 ILE A 90 2.144 -1.692 5.742 1.00 0.00 H new ATOM 0 HD11 ILE A 90 5.141 0.373 5.213 1.00 0.00 H new ATOM 0 HD12 ILE A 90 3.557 -0.184 5.804 1.00 0.00 H new ATOM 0 HD13 ILE A 90 5.023 -1.123 6.169 1.00 0.00 H new ATOM 1424 N CYS A 91 2.970 -5.318 6.549 1.00 0.00 N ATOM 1425 CA CYS A 91 2.352 -6.634 6.593 1.00 0.00 C ATOM 1426 C CYS A 91 0.893 -6.617 6.200 1.00 0.00 C ATOM 1427 O CYS A 91 0.002 -6.279 6.978 1.00 0.00 O ATOM 1428 CB CYS A 91 2.492 -7.247 7.980 1.00 0.00 C ATOM 1429 SG CYS A 91 1.782 -8.905 8.112 1.00 0.00 S ATOM 0 H CYS A 91 3.032 -4.816 7.435 1.00 0.00 H new ATOM 0 HA CYS A 91 2.883 -7.241 5.859 1.00 0.00 H new ATOM 0 HB2 CYS A 91 3.549 -7.291 8.244 1.00 0.00 H new ATOM 0 HB3 CYS A 91 2.009 -6.595 8.707 1.00 0.00 H new ATOM 0 HG CYS A 91 1.946 -9.352 9.322 1.00 0.00 H new ATOM 1435 N LEU A 92 0.699 -7.008 4.952 1.00 0.00 N ATOM 1436 CA LEU A 92 -0.605 -7.132 4.323 1.00 0.00 C ATOM 1437 C LEU A 92 -0.954 -8.573 3.982 1.00 0.00 C ATOM 1438 O LEU A 92 -0.271 -9.198 3.170 1.00 0.00 O ATOM 1439 CB LEU A 92 -0.586 -6.286 3.062 1.00 0.00 C ATOM 1440 CG LEU A 92 -0.268 -4.821 3.309 1.00 0.00 C ATOM 1441 CD1 LEU A 92 -0.147 -4.107 1.979 1.00 0.00 C ATOM 1442 CD2 LEU A 92 -1.366 -4.230 4.181 1.00 0.00 C ATOM 0 H LEU A 92 1.468 -7.255 4.329 1.00 0.00 H new ATOM 0 HA LEU A 92 -1.369 -6.790 5.021 1.00 0.00 H new ATOM 0 HB2 LEU A 92 0.151 -6.696 2.372 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -1.557 -6.359 2.572 1.00 0.00 H new ATOM 0 HG LEU A 92 0.682 -4.705 3.831 1.00 0.00 H new ATOM 0 HD11 LEU A 92 0.081 -3.055 2.150 1.00 0.00 H new ATOM 0 HD12 LEU A 92 0.653 -4.561 1.394 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -1.088 -4.190 1.434 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -1.154 -3.177 4.369 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -2.325 -4.322 3.671 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -1.407 -4.767 5.129 1.00 0.00 H new ATOM 1454 N SER A 93 -2.044 -9.094 4.558 1.00 0.00 N ATOM 1455 CA SER A 93 -2.431 -10.486 4.313 1.00 0.00 C ATOM 1456 C SER A 93 -2.872 -10.695 2.868 1.00 0.00 C ATOM 1457 O SER A 93 -2.717 -11.795 2.335 1.00 0.00 O ATOM 1458 CB SER A 93 -3.532 -10.901 5.281 1.00 0.00 C ATOM 1459 OG SER A 93 -4.768 -10.288 5.026 1.00 0.00 O ATOM 0 H SER A 93 -2.663 -8.582 5.186 1.00 0.00 H new ATOM 0 HA SER A 93 -1.558 -11.117 4.482 1.00 0.00 H new ATOM 0 HB2 SER A 93 -3.656 -11.983 5.234 1.00 0.00 H new ATOM 0 HB3 SER A 93 -3.220 -10.660 6.297 1.00 0.00 H new ATOM 0 HG SER A 93 -5.388 -10.946 4.648 1.00 0.00 H new ATOM 1465 N ILE A 94 -3.332 -9.609 2.230 1.00 0.00 N ATOM 1466 CA ILE A 94 -3.734 -9.553 0.829 1.00 0.00 C ATOM 1467 C ILE A 94 -2.592 -9.727 -0.144 1.00 0.00 C ATOM 1468 O ILE A 94 -2.840 -9.872 -1.336 1.00 0.00 O ATOM 1469 CB ILE A 94 -4.437 -8.224 0.520 1.00 0.00 C ATOM 1470 CG1 ILE A 94 -3.458 -7.074 0.733 1.00 0.00 C ATOM 1471 CG2 ILE A 94 -5.659 -8.071 1.410 1.00 0.00 C ATOM 1472 CD1 ILE A 94 -3.960 -5.738 0.258 1.00 0.00 C ATOM 0 H ILE A 94 -3.436 -8.711 2.702 1.00 0.00 H new ATOM 0 HA ILE A 94 -4.412 -10.395 0.693 1.00 0.00 H new ATOM 0 HB ILE A 94 -4.768 -8.211 -0.518 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -3.223 -7.004 1.795 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -2.527 -7.304 0.215 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -6.155 -7.126 1.188 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -6.348 -8.895 1.226 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -5.351 -8.082 2.456 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -3.203 -4.977 0.447 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -4.167 -5.786 -0.811 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -4.874 -5.481 0.793 1.00 0.00 H new ATOM 1484 N LEU A 95 -1.348 -9.706 0.320 1.00 0.00 N ATOM 1485 CA LEU A 95 -0.274 -9.935 -0.614 1.00 0.00 C ATOM 1486 C LEU A 95 0.128 -11.407 -0.611 1.00 0.00 C ATOM 1487 O LEU A 95 0.951 -11.819 -1.431 1.00 0.00 O ATOM 1488 CB LEU A 95 0.926 -9.057 -0.277 1.00 0.00 C ATOM 1489 CG LEU A 95 0.660 -7.549 -0.306 1.00 0.00 C ATOM 1490 CD1 LEU A 95 1.949 -6.843 0.083 1.00 0.00 C ATOM 1491 CD2 LEU A 95 0.149 -7.124 -1.670 1.00 0.00 C ATOM 0 H LEU A 95 -1.074 -9.541 1.289 1.00 0.00 H new ATOM 0 HA LEU A 95 -0.624 -9.671 -1.612 1.00 0.00 H new ATOM 0 HB2 LEU A 95 1.286 -9.327 0.716 1.00 0.00 H new ATOM 0 HB3 LEU A 95 1.729 -9.282 -0.979 1.00 0.00 H new ATOM 0 HG LEU A 95 -0.120 -7.276 0.405 1.00 0.00 H new ATOM 0 HD11 LEU A 95 1.791 -5.765 0.071 1.00 0.00 H new ATOM 0 HD12 LEU A 95 2.247 -7.155 1.084 1.00 0.00 H new ATOM 0 HD13 LEU A 95 2.734 -7.102 -0.627 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -0.034 -6.050 -1.671 1.00 0.00 H new ATOM 0 HD22 LEU A 95 0.893 -7.366 -2.429 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -0.779 -7.651 -1.891 1.00 0.00 H new ATOM 1503 N THR A 96 -0.413 -12.197 0.320 1.00 0.00 N ATOM 1504 CA THR A 96 -0.094 -13.616 0.379 1.00 0.00 C ATOM 1505 C THR A 96 -1.393 -14.400 0.265 1.00 0.00 C ATOM 1506 O THR A 96 -1.961 -14.542 -0.818 1.00 0.00 O ATOM 1507 CB THR A 96 0.640 -14.010 1.677 1.00 0.00 C ATOM 1508 OG1 THR A 96 -0.167 -13.657 2.808 1.00 0.00 O ATOM 1509 CG2 THR A 96 1.977 -13.292 1.774 1.00 0.00 C ATOM 0 H THR A 96 -1.067 -11.877 1.034 1.00 0.00 H new ATOM 0 HA THR A 96 0.582 -13.847 -0.444 1.00 0.00 H new ATOM 0 HB THR A 96 0.816 -15.086 1.665 1.00 0.00 H new ATOM 0 HG1 THR A 96 0.298 -13.909 3.633 1.00 0.00 H new ATOM 0 HG21 THR A 96 2.480 -13.583 2.696 1.00 0.00 H new ATOM 0 HG22 THR A 96 2.598 -13.563 0.921 1.00 0.00 H new ATOM 0 HG23 THR A 96 1.812 -12.215 1.775 1.00 0.00 H new ATOM 1517 N GLU A 97 -1.859 -14.884 1.416 1.00 0.00 N ATOM 1518 CA GLU A 97 -3.062 -15.698 1.559 1.00 0.00 C ATOM 1519 C GLU A 97 -4.322 -15.116 0.931 1.00 0.00 C ATOM 1520 O GLU A 97 -5.109 -15.857 0.339 1.00 0.00 O ATOM 1521 CB GLU A 97 -3.324 -15.954 3.043 1.00 0.00 C ATOM 1522 CG GLU A 97 -4.518 -16.858 3.320 1.00 0.00 C ATOM 1523 CD GLU A 97 -4.694 -17.168 4.782 1.00 0.00 C ATOM 1524 OE1 GLU A 97 -3.918 -16.686 5.572 1.00 0.00 O ATOM 1525 OE2 GLU A 97 -5.600 -17.899 5.109 1.00 0.00 O ATOM 0 H GLU A 97 -1.391 -14.713 2.306 1.00 0.00 H new ATOM 0 HA GLU A 97 -2.855 -16.617 1.011 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -2.434 -16.401 3.486 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -3.483 -14.998 3.542 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -5.423 -16.381 2.944 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -4.397 -17.790 2.769 1.00 0.00 H new ATOM 1532 N ASP A 98 -4.524 -13.808 1.053 1.00 0.00 N ATOM 1533 CA ASP A 98 -5.718 -13.185 0.512 1.00 0.00 C ATOM 1534 C ASP A 98 -5.507 -12.566 -0.877 1.00 0.00 C ATOM 1535 O ASP A 98 -6.375 -11.826 -1.346 1.00 0.00 O ATOM 1536 CB ASP A 98 -6.232 -12.132 1.500 1.00 0.00 C ATOM 1537 CG ASP A 98 -6.744 -12.682 2.814 1.00 0.00 C ATOM 1538 OD1 ASP A 98 -7.409 -13.692 2.817 1.00 0.00 O ATOM 1539 OD2 ASP A 98 -6.440 -12.075 3.815 1.00 0.00 O ATOM 0 H ASP A 98 -3.881 -13.167 1.518 1.00 0.00 H new ATOM 0 HA ASP A 98 -6.461 -13.971 0.378 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -5.427 -11.427 1.708 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -7.034 -11.569 1.022 1.00 0.00 H new ATOM 1544 N TRP A 99 -4.377 -12.838 -1.540 1.00 0.00 N ATOM 1545 CA TRP A 99 -4.176 -12.288 -2.877 1.00 0.00 C ATOM 1546 C TRP A 99 -5.110 -12.892 -3.912 1.00 0.00 C ATOM 1547 O TRP A 99 -5.346 -14.100 -3.957 1.00 0.00 O ATOM 1548 CB TRP A 99 -2.733 -12.453 -3.386 1.00 0.00 C ATOM 1549 CG TRP A 99 -2.607 -11.944 -4.802 1.00 0.00 C ATOM 1550 CD1 TRP A 99 -2.434 -12.705 -5.924 1.00 0.00 C ATOM 1551 CD2 TRP A 99 -2.702 -10.573 -5.269 1.00 0.00 C ATOM 1552 NE1 TRP A 99 -2.414 -11.907 -7.040 1.00 0.00 N ATOM 1553 CE2 TRP A 99 -2.585 -10.605 -6.660 1.00 0.00 C ATOM 1554 CE3 TRP A 99 -2.893 -9.342 -4.634 1.00 0.00 C ATOM 1555 CZ2 TRP A 99 -2.655 -9.457 -7.427 1.00 0.00 C ATOM 1556 CZ3 TRP A 99 -2.969 -8.193 -5.403 1.00 0.00 C ATOM 1557 CH2 TRP A 99 -2.858 -8.252 -6.764 1.00 0.00 C ATOM 0 H TRP A 99 -3.615 -13.415 -1.185 1.00 0.00 H new ATOM 0 HA TRP A 99 -4.399 -11.227 -2.762 1.00 0.00 H new ATOM 0 HB2 TRP A 99 -2.048 -11.909 -2.736 1.00 0.00 H new ATOM 0 HB3 TRP A 99 -2.445 -13.503 -3.344 1.00 0.00 H new ATOM 0 HD1 TRP A 99 -2.328 -13.780 -5.931 1.00 0.00 H new ATOM 0 HE1 TRP A 99 -2.291 -12.233 -7.999 1.00 0.00 H new ATOM 0 HE3 TRP A 99 -2.980 -9.288 -3.559 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 -2.556 -9.495 -8.502 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 -3.118 -7.238 -4.921 1.00 0.00 H new ATOM 0 HH2 TRP A 99 -2.930 -7.340 -7.338 1.00 0.00 H new ATOM 1568 N SER A 100 -5.624 -12.002 -4.748 1.00 0.00 N ATOM 1569 CA SER A 100 -6.515 -12.291 -5.850 1.00 0.00 C ATOM 1570 C SER A 100 -6.169 -11.365 -7.003 1.00 0.00 C ATOM 1571 O SER A 100 -5.967 -10.176 -6.770 1.00 0.00 O ATOM 1572 CB SER A 100 -7.964 -12.075 -5.455 1.00 0.00 C ATOM 1573 OG SER A 100 -8.820 -12.244 -6.555 1.00 0.00 O ATOM 0 H SER A 100 -5.416 -11.007 -4.667 1.00 0.00 H new ATOM 0 HA SER A 100 -6.393 -13.335 -6.139 1.00 0.00 H new ATOM 0 HB2 SER A 100 -8.237 -12.776 -4.667 1.00 0.00 H new ATOM 0 HB3 SER A 100 -8.087 -11.072 -5.046 1.00 0.00 H new ATOM 0 HG SER A 100 -9.748 -12.101 -6.273 1.00 0.00 H new ATOM 1579 N PRO A 101 -6.127 -11.853 -8.250 1.00 0.00 N ATOM 1580 CA PRO A 101 -5.810 -11.077 -9.431 1.00 0.00 C ATOM 1581 C PRO A 101 -6.839 -10.000 -9.761 1.00 0.00 C ATOM 1582 O PRO A 101 -6.593 -9.136 -10.602 1.00 0.00 O ATOM 1583 CB PRO A 101 -5.767 -12.172 -10.505 1.00 0.00 C ATOM 1584 CG PRO A 101 -6.637 -13.275 -9.972 1.00 0.00 C ATOM 1585 CD PRO A 101 -6.426 -13.272 -8.475 1.00 0.00 C ATOM 0 HA PRO A 101 -4.891 -10.500 -9.324 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -6.140 -11.802 -11.460 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -4.748 -12.520 -10.673 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -7.684 -13.103 -10.221 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -6.360 -14.236 -10.405 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -7.312 -13.600 -7.931 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -5.606 -13.922 -8.171 1.00 0.00 H new ATOM 1593 N ALA A 102 -8.000 -10.057 -9.105 1.00 0.00 N ATOM 1594 CA ALA A 102 -9.045 -9.059 -9.250 1.00 0.00 C ATOM 1595 C ALA A 102 -8.692 -7.780 -8.485 1.00 0.00 C ATOM 1596 O ALA A 102 -9.340 -6.750 -8.679 1.00 0.00 O ATOM 1597 CB ALA A 102 -10.366 -9.621 -8.753 1.00 0.00 C ATOM 0 H ALA A 102 -8.237 -10.806 -8.454 1.00 0.00 H new ATOM 0 HA ALA A 102 -9.137 -8.806 -10.306 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -11.146 -8.868 -8.864 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -10.628 -10.504 -9.336 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -10.273 -9.895 -7.702 1.00 0.00 H new ATOM 1603 N LEU A 103 -7.681 -7.844 -7.615 1.00 0.00 N ATOM 1604 CA LEU A 103 -7.234 -6.711 -6.822 1.00 0.00 C ATOM 1605 C LEU A 103 -6.383 -5.750 -7.653 1.00 0.00 C ATOM 1606 O LEU A 103 -5.837 -6.113 -8.700 1.00 0.00 O ATOM 1607 CB LEU A 103 -6.457 -7.209 -5.599 1.00 0.00 C ATOM 1608 CG LEU A 103 -7.258 -8.085 -4.621 1.00 0.00 C ATOM 1609 CD1 LEU A 103 -6.348 -8.575 -3.499 1.00 0.00 C ATOM 1610 CD2 LEU A 103 -8.423 -7.283 -4.069 1.00 0.00 C ATOM 0 H LEU A 103 -7.148 -8.697 -7.444 1.00 0.00 H new ATOM 0 HA LEU A 103 -8.111 -6.159 -6.485 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -5.593 -7.777 -5.945 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -6.074 -6.345 -5.056 1.00 0.00 H new ATOM 0 HG LEU A 103 -7.651 -8.958 -5.142 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -6.922 -9.195 -2.810 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -5.533 -9.162 -3.922 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -5.939 -7.719 -2.962 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -8.993 -7.900 -3.375 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -8.045 -6.405 -3.546 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -9.068 -6.967 -4.889 1.00 0.00 H new ATOM 1622 N SER A 104 -6.297 -4.516 -7.165 1.00 0.00 N ATOM 1623 CA SER A 104 -5.595 -3.416 -7.820 1.00 0.00 C ATOM 1624 C SER A 104 -4.855 -2.567 -6.810 1.00 0.00 C ATOM 1625 O SER A 104 -5.097 -2.732 -5.616 1.00 0.00 O ATOM 1626 CB SER A 104 -6.600 -2.533 -8.524 1.00 0.00 C ATOM 1627 OG SER A 104 -7.437 -1.894 -7.591 1.00 0.00 O ATOM 0 H SER A 104 -6.725 -4.246 -6.279 1.00 0.00 H new ATOM 0 HA SER A 104 -4.882 -3.842 -8.526 1.00 0.00 H new ATOM 0 HB2 SER A 104 -6.079 -1.787 -9.124 1.00 0.00 H new ATOM 0 HB3 SER A 104 -7.200 -3.131 -9.210 1.00 0.00 H new ATOM 0 HG SER A 104 -8.139 -1.402 -8.065 1.00 0.00 H new ATOM 1633 N VAL A 105 -3.988 -1.653 -7.265 1.00 0.00 N ATOM 1634 CA VAL A 105 -3.292 -0.777 -6.318 1.00 0.00 C ATOM 1635 C VAL A 105 -4.296 0.065 -5.523 1.00 0.00 C ATOM 1636 O VAL A 105 -3.994 0.461 -4.399 1.00 0.00 O ATOM 1637 CB VAL A 105 -2.266 0.136 -7.034 1.00 0.00 C ATOM 1638 CG1 VAL A 105 -2.954 1.208 -7.867 1.00 0.00 C ATOM 1639 CG2 VAL A 105 -1.369 0.787 -5.986 1.00 0.00 C ATOM 0 H VAL A 105 -3.758 -1.504 -8.247 1.00 0.00 H new ATOM 0 HA VAL A 105 -2.742 -1.413 -5.625 1.00 0.00 H new ATOM 0 HB VAL A 105 -1.672 -0.475 -7.713 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -2.202 1.829 -8.354 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -3.580 0.735 -8.624 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -3.574 1.829 -7.220 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -0.642 1.432 -6.479 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -1.978 1.381 -5.304 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -0.845 0.014 -5.424 1.00 0.00 H new ATOM 1649 N GLN A 106 -5.473 0.339 -6.096 1.00 0.00 N ATOM 1650 CA GLN A 106 -6.555 0.998 -5.382 1.00 0.00 C ATOM 1651 C GLN A 106 -6.978 0.170 -4.194 1.00 0.00 C ATOM 1652 O GLN A 106 -7.022 0.670 -3.069 1.00 0.00 O ATOM 1653 CB GLN A 106 -7.791 1.204 -6.259 1.00 0.00 C ATOM 1654 CG GLN A 106 -8.956 1.831 -5.519 1.00 0.00 C ATOM 1655 CD GLN A 106 -10.157 2.078 -6.409 1.00 0.00 C ATOM 1656 OE1 GLN A 106 -10.239 1.562 -7.527 1.00 0.00 O ATOM 1657 NE2 GLN A 106 -11.103 2.872 -5.919 1.00 0.00 N ATOM 0 H GLN A 106 -5.695 0.108 -7.064 1.00 0.00 H new ATOM 0 HA GLN A 106 -6.169 1.969 -5.072 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -7.525 1.837 -7.106 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -8.104 0.242 -6.665 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -9.249 1.180 -4.695 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -8.635 2.776 -5.080 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -10.997 3.279 -4.990 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -11.936 3.075 -6.472 1.00 0.00 H new ATOM 1666 N SER A 107 -7.288 -1.102 -4.456 1.00 0.00 N ATOM 1667 CA SER A 107 -7.747 -1.963 -3.376 1.00 0.00 C ATOM 1668 C SER A 107 -6.656 -2.265 -2.357 1.00 0.00 C ATOM 1669 O SER A 107 -6.974 -2.488 -1.187 1.00 0.00 O ATOM 1670 CB SER A 107 -8.256 -3.277 -3.931 1.00 0.00 C ATOM 1671 OG SER A 107 -7.200 -4.042 -4.440 1.00 0.00 O ATOM 0 H SER A 107 -7.231 -1.542 -5.374 1.00 0.00 H new ATOM 0 HA SER A 107 -8.545 -1.419 -2.872 1.00 0.00 H new ATOM 0 HB2 SER A 107 -8.770 -3.834 -3.147 1.00 0.00 H new ATOM 0 HB3 SER A 107 -8.986 -3.087 -4.718 1.00 0.00 H new ATOM 0 HG SER A 107 -6.475 -3.449 -4.728 1.00 0.00 H new ATOM 1677 N VAL A 108 -5.390 -2.249 -2.781 1.00 0.00 N ATOM 1678 CA VAL A 108 -4.294 -2.496 -1.857 1.00 0.00 C ATOM 1679 C VAL A 108 -4.135 -1.300 -0.941 1.00 0.00 C ATOM 1680 O VAL A 108 -4.075 -1.489 0.272 1.00 0.00 O ATOM 1681 CB VAL A 108 -2.965 -2.794 -2.586 1.00 0.00 C ATOM 1682 CG1 VAL A 108 -1.834 -2.870 -1.570 1.00 0.00 C ATOM 1683 CG2 VAL A 108 -3.058 -4.122 -3.328 1.00 0.00 C ATOM 0 H VAL A 108 -5.107 -2.070 -3.744 1.00 0.00 H new ATOM 0 HA VAL A 108 -4.539 -3.384 -1.275 1.00 0.00 H new ATOM 0 HB VAL A 108 -2.769 -1.995 -3.301 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -0.896 -3.080 -2.084 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -1.754 -1.919 -1.043 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -2.041 -3.665 -0.854 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -2.115 -4.321 -3.838 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -3.262 -4.923 -2.617 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -3.863 -4.074 -4.061 1.00 0.00 H new ATOM 1693 N CYS A 109 -4.089 -0.090 -1.496 1.00 0.00 N ATOM 1694 CA CYS A 109 -3.951 1.099 -0.667 1.00 0.00 C ATOM 1695 C CYS A 109 -5.136 1.328 0.244 1.00 0.00 C ATOM 1696 O CYS A 109 -4.940 1.738 1.386 1.00 0.00 O ATOM 1697 CB CYS A 109 -3.772 2.341 -1.527 1.00 0.00 C ATOM 1698 SG CYS A 109 -2.175 2.449 -2.355 1.00 0.00 S ATOM 0 H CYS A 109 -4.144 0.089 -2.499 1.00 0.00 H new ATOM 0 HA CYS A 109 -3.069 0.924 -0.050 1.00 0.00 H new ATOM 0 HB2 CYS A 109 -4.560 2.364 -2.280 1.00 0.00 H new ATOM 0 HB3 CYS A 109 -3.904 3.224 -0.901 1.00 0.00 H new ATOM 0 HG CYS A 109 -1.337 1.631 -1.790 1.00 0.00 H new ATOM 1704 N LEU A 110 -6.351 1.068 -0.230 1.00 0.00 N ATOM 1705 CA LEU A 110 -7.506 1.248 0.632 1.00 0.00 C ATOM 1706 C LEU A 110 -7.511 0.187 1.730 1.00 0.00 C ATOM 1707 O LEU A 110 -7.998 0.463 2.828 1.00 0.00 O ATOM 1708 CB LEU A 110 -8.790 1.218 -0.202 1.00 0.00 C ATOM 1709 CG LEU A 110 -8.965 2.422 -1.147 1.00 0.00 C ATOM 1710 CD1 LEU A 110 -10.191 2.207 -2.022 1.00 0.00 C ATOM 1711 CD2 LEU A 110 -9.099 3.697 -0.326 1.00 0.00 C ATOM 0 H LEU A 110 -6.555 0.743 -1.175 1.00 0.00 H new ATOM 0 HA LEU A 110 -7.452 2.222 1.119 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -8.803 0.303 -0.794 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -9.645 1.174 0.472 1.00 0.00 H new ATOM 0 HG LEU A 110 -8.092 2.517 -1.793 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -10.315 3.059 -2.691 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -10.063 1.299 -2.611 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -11.075 2.109 -1.392 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -9.223 4.549 -0.995 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -9.968 3.619 0.328 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -8.202 3.837 0.278 1.00 0.00 H new ATOM 1723 N SER A 111 -7.004 -1.019 1.440 1.00 0.00 N ATOM 1724 CA SER A 111 -6.872 -2.057 2.456 1.00 0.00 C ATOM 1725 C SER A 111 -5.850 -1.636 3.510 1.00 0.00 C ATOM 1726 O SER A 111 -6.056 -1.905 4.694 1.00 0.00 O ATOM 1727 CB SER A 111 -6.449 -3.377 1.842 1.00 0.00 C ATOM 1728 OG SER A 111 -7.435 -3.885 0.985 1.00 0.00 O ATOM 0 H SER A 111 -6.681 -1.293 0.512 1.00 0.00 H new ATOM 0 HA SER A 111 -7.847 -2.190 2.924 1.00 0.00 H new ATOM 0 HB2 SER A 111 -5.520 -3.241 1.289 1.00 0.00 H new ATOM 0 HB3 SER A 111 -6.246 -4.099 2.633 1.00 0.00 H new ATOM 0 HG SER A 111 -7.640 -3.222 0.293 1.00 0.00 H new ATOM 1734 N ILE A 112 -4.757 -1.002 3.073 1.00 0.00 N ATOM 1735 CA ILE A 112 -3.720 -0.487 3.964 1.00 0.00 C ATOM 1736 C ILE A 112 -4.299 0.574 4.878 1.00 0.00 C ATOM 1737 O ILE A 112 -3.997 0.575 6.069 1.00 0.00 O ATOM 1738 CB ILE A 112 -2.543 0.119 3.189 1.00 0.00 C ATOM 1739 CG1 ILE A 112 -1.790 -0.968 2.439 1.00 0.00 C ATOM 1740 CG2 ILE A 112 -1.609 0.800 4.177 1.00 0.00 C ATOM 1741 CD1 ILE A 112 -0.821 -0.444 1.416 1.00 0.00 C ATOM 0 H ILE A 112 -4.569 -0.832 2.085 1.00 0.00 H new ATOM 0 HA ILE A 112 -3.351 -1.331 4.546 1.00 0.00 H new ATOM 0 HB ILE A 112 -2.917 0.843 2.465 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -1.247 -1.582 3.158 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -2.510 -1.619 1.943 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -0.767 1.236 3.640 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -2.149 1.586 4.705 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -1.241 0.067 4.895 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -0.324 -1.280 0.924 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -1.359 0.146 0.674 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -0.077 0.183 1.907 1.00 0.00 H new ATOM 1753 N ILE A 113 -5.085 1.486 4.308 1.00 0.00 N ATOM 1754 CA ILE A 113 -5.775 2.526 5.057 1.00 0.00 C ATOM 1755 C ILE A 113 -6.745 1.920 6.059 1.00 0.00 C ATOM 1756 O ILE A 113 -6.841 2.401 7.188 1.00 0.00 O ATOM 1757 CB ILE A 113 -6.529 3.480 4.117 1.00 0.00 C ATOM 1758 CG1 ILE A 113 -5.517 4.289 3.308 1.00 0.00 C ATOM 1759 CG2 ILE A 113 -7.436 4.390 4.931 1.00 0.00 C ATOM 1760 CD1 ILE A 113 -6.101 5.050 2.142 1.00 0.00 C ATOM 0 H ILE A 113 -5.260 1.521 3.304 1.00 0.00 H new ATOM 0 HA ILE A 113 -5.018 3.095 5.597 1.00 0.00 H new ATOM 0 HB ILE A 113 -7.152 2.912 3.426 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -5.023 4.996 3.974 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -4.748 3.613 2.934 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -7.969 5.065 4.262 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -8.154 3.786 5.485 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -6.835 4.972 5.630 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -5.308 5.594 1.628 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -6.569 4.351 1.449 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -6.848 5.756 2.506 1.00 0.00 H new ATOM 1772 N SER A 114 -7.497 0.902 5.636 1.00 0.00 N ATOM 1773 CA SER A 114 -8.415 0.219 6.532 1.00 0.00 C ATOM 1774 C SER A 114 -7.659 -0.377 7.715 1.00 0.00 C ATOM 1775 O SER A 114 -8.127 -0.252 8.846 1.00 0.00 O ATOM 1776 CB SER A 114 -9.161 -0.874 5.788 1.00 0.00 C ATOM 1777 OG SER A 114 -9.991 -0.336 4.795 1.00 0.00 O ATOM 0 H SER A 114 -7.485 0.538 4.683 1.00 0.00 H new ATOM 0 HA SER A 114 -9.136 0.945 6.907 1.00 0.00 H new ATOM 0 HB2 SER A 114 -8.447 -1.562 5.335 1.00 0.00 H new ATOM 0 HB3 SER A 114 -9.759 -1.453 6.491 1.00 0.00 H new ATOM 0 HG SER A 114 -9.442 -0.001 4.056 1.00 0.00 H new ATOM 1783 N MET A 115 -6.513 -1.008 7.452 1.00 0.00 N ATOM 1784 CA MET A 115 -5.628 -1.587 8.460 1.00 0.00 C ATOM 1785 C MET A 115 -5.114 -0.527 9.430 1.00 0.00 C ATOM 1786 O MET A 115 -5.158 -0.708 10.650 1.00 0.00 O ATOM 1787 CB MET A 115 -4.463 -2.287 7.768 1.00 0.00 C ATOM 1788 CG MET A 115 -3.448 -2.924 8.697 1.00 0.00 C ATOM 1789 SD MET A 115 -2.036 -3.586 7.796 1.00 0.00 S ATOM 1790 CE MET A 115 -1.200 -2.078 7.305 1.00 0.00 C ATOM 0 H MET A 115 -6.166 -1.133 6.501 1.00 0.00 H new ATOM 0 HA MET A 115 -6.196 -2.312 9.043 1.00 0.00 H new ATOM 0 HB2 MET A 115 -4.863 -3.058 7.109 1.00 0.00 H new ATOM 0 HB3 MET A 115 -3.949 -1.563 7.136 1.00 0.00 H new ATOM 0 HG2 MET A 115 -3.103 -2.185 9.420 1.00 0.00 H new ATOM 0 HG3 MET A 115 -3.925 -3.724 9.263 1.00 0.00 H new ATOM 0 HE1 MET A 115 -0.171 -2.306 7.029 1.00 0.00 H new ATOM 0 HE2 MET A 115 -1.716 -1.637 6.452 1.00 0.00 H new ATOM 0 HE3 MET A 115 -1.205 -1.372 8.136 1.00 0.00 H new ATOM 1800 N LEU A 116 -4.600 0.556 8.851 1.00 0.00 N ATOM 1801 CA LEU A 116 -4.068 1.728 9.526 1.00 0.00 C ATOM 1802 C LEU A 116 -5.082 2.260 10.530 1.00 0.00 C ATOM 1803 O LEU A 116 -4.754 2.486 11.695 1.00 0.00 O ATOM 1804 CB LEU A 116 -3.726 2.785 8.468 1.00 0.00 C ATOM 1805 CG LEU A 116 -3.143 4.128 8.908 1.00 0.00 C ATOM 1806 CD1 LEU A 116 -1.778 3.908 9.548 1.00 0.00 C ATOM 1807 CD2 LEU A 116 -3.057 5.021 7.681 1.00 0.00 C ATOM 0 H LEU A 116 -4.542 0.639 7.836 1.00 0.00 H new ATOM 0 HA LEU A 116 -3.165 1.469 10.078 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -3.019 2.334 7.772 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -4.637 2.992 7.907 1.00 0.00 H new ATOM 0 HG LEU A 116 -3.775 4.610 9.654 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -1.364 4.867 9.861 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -1.884 3.258 10.416 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -1.108 3.442 8.825 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -2.644 5.989 7.964 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -2.412 4.555 6.936 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -4.054 5.160 7.262 1.00 0.00 H new ATOM 1819 N SER A 117 -6.317 2.467 10.068 1.00 0.00 N ATOM 1820 CA SER A 117 -7.389 2.954 10.924 1.00 0.00 C ATOM 1821 C SER A 117 -7.979 1.899 11.861 1.00 0.00 C ATOM 1822 O SER A 117 -8.540 2.255 12.898 1.00 0.00 O ATOM 1823 CB SER A 117 -8.503 3.507 10.059 1.00 0.00 C ATOM 1824 OG SER A 117 -9.136 2.492 9.331 1.00 0.00 O ATOM 0 H SER A 117 -6.595 2.303 9.101 1.00 0.00 H new ATOM 0 HA SER A 117 -6.942 3.720 11.558 1.00 0.00 H new ATOM 0 HB2 SER A 117 -9.234 4.017 10.686 1.00 0.00 H new ATOM 0 HB3 SER A 117 -8.098 4.251 9.373 1.00 0.00 H new ATOM 0 HG SER A 117 -8.567 1.694 9.319 1.00 0.00 H new ATOM 1830 N SER A 118 -7.876 0.616 11.506 1.00 0.00 N ATOM 1831 CA SER A 118 -8.362 -0.462 12.362 1.00 0.00 C ATOM 1832 C SER A 118 -7.532 -0.608 13.627 1.00 0.00 C ATOM 1833 O SER A 118 -8.085 -0.944 14.675 1.00 0.00 O ATOM 1834 CB SER A 118 -8.362 -1.790 11.626 1.00 0.00 C ATOM 1835 OG SER A 118 -9.294 -1.797 10.580 1.00 0.00 O ATOM 0 H SER A 118 -7.459 0.301 10.630 1.00 0.00 H new ATOM 0 HA SER A 118 -9.381 -0.193 12.639 1.00 0.00 H new ATOM 0 HB2 SER A 118 -7.366 -1.987 11.229 1.00 0.00 H new ATOM 0 HB3 SER A 118 -8.592 -2.594 12.325 1.00 0.00 H new ATOM 0 HG SER A 118 -8.880 -1.430 9.771 1.00 0.00 H new