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 49 TYR OH : rot -6:sc= 1.23 USER MOD Set 1.2: A 81 HIS : no HD1:sc= 1.3 K(o=2.4,f=-7.1!) USER MOD Set 1.3: A 83 HIS : no HD1:sc= -0.0983 K(o=2.4,f=-0.92) USER MOD Set 1.4: A 115 MET CE :methyl -163:sc= -0.0486 (180deg=-0.403) USER MOD Set 2.1: A 23 MET CE :methyl 148:sc= -0.214 (180deg=-1.56) USER MOD Set 2.2: A 41 MET CE :methyl -167:sc= -0.221 (180deg=-0.374) USER MOD Set 2.3: A 109 CYS SG : rot 22:sc= -0.274 USER MOD Single : A 4 MET CE :methyl -117:sc= -0.229 (180deg=-0.774) USER MOD Single : A 5 GLN : amide:sc= -0.0117 K(o=-0.012,f=-1) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc=-0.00035 K(o=-0.00035,f=-1.2) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc=-0.00496 K(o=-0.005,f=-1.3) USER MOD Single : A 17 ASN : amide:sc= -0.0299 K(o=-0.03,f=-1.7!) USER MOD Single : A 24 THR OG1 : rot -118:sc= 0.135 USER MOD Single : A 26 ASN : amide:sc= -0.812 K(o=-0.81,f=-4.1!) USER MOD Single : A 35 THR OG1 : rot -36:sc= 0.114 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 THR OG1 : rot -59:sc= 1.47 USER MOD Single : A 53 LYS NZ :NH3+ -175:sc= 0.675 (180deg=0.66) USER MOD Single : A 55 GLN : amide:sc= 0.883 K(o=0.88,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 176:sc= 1.06 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot -179:sc= 1.32 USER MOD Single : A 68 SER OG : rot -164:sc= 1.27 USER MOD Single : A 70 GLN : amide:sc= -0.146 X(o=-0.15,f=-0.15) USER MOD Single : A 72 MET CE :methyl -164:sc= -0.0252 (180deg=-0.343) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= 0.238 K(o=0.24,f=-4.3!) 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=-0.85) USER MOD Single : A 89 HIS : no HD1:sc= -0.283 K(o=-0.28,f=-1.1) USER MOD Single : A 91 CYS SG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 124:sc= 1.23 USER MOD Single : A 96 THR OG1 : rot 134:sc= 0.521 USER MOD Single : A 100 SER OG : rot 180:sc= -0.146 USER MOD Single : A 104 SER OG : rot 54:sc= 1.08 USER MOD Single : A 106 GLN : amide:sc= 1.19 K(o=1.2,f=-0.6) USER MOD Single : A 107 SER OG : rot -27:sc= 1.75 USER MOD Single : A 111 SER OG : rot 62:sc= 1.23 USER MOD Single : A 114 SER OG : rot 66:sc= 1.23 USER MOD Single : A 117 SER OG : rot -35:sc= 1.27 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 41 N MET A 4 0.737 -6.183 -19.221 1.00 0.00 N ATOM 42 CA MET A 4 1.099 -5.703 -17.896 1.00 0.00 C ATOM 43 C MET A 4 0.991 -4.189 -17.844 1.00 0.00 C ATOM 44 O MET A 4 0.415 -3.637 -16.904 1.00 0.00 O ATOM 45 CB MET A 4 2.508 -6.180 -17.545 1.00 0.00 C ATOM 46 CG MET A 4 3.017 -5.742 -16.188 1.00 0.00 C ATOM 47 SD MET A 4 3.733 -4.093 -16.173 1.00 0.00 S ATOM 48 CE MET A 4 5.234 -4.386 -17.094 1.00 0.00 C ATOM 0 HA MET A 4 0.410 -6.109 -17.156 1.00 0.00 H new ATOM 0 HB2 MET A 4 2.527 -7.269 -17.588 1.00 0.00 H new ATOM 0 HB3 MET A 4 3.197 -5.818 -18.308 1.00 0.00 H new ATOM 0 HG2 MET A 4 2.194 -5.776 -15.474 1.00 0.00 H new ATOM 0 HG3 MET A 4 3.766 -6.455 -15.845 1.00 0.00 H new ATOM 0 HE1 MET A 4 6.096 -4.195 -16.455 1.00 0.00 H new ATOM 0 HE2 MET A 4 5.256 -5.422 -17.433 1.00 0.00 H new ATOM 0 HE3 MET A 4 5.267 -3.721 -17.957 1.00 0.00 H new ATOM 58 N GLN A 5 1.565 -3.538 -18.853 1.00 0.00 N ATOM 59 CA GLN A 5 1.533 -2.092 -18.962 1.00 0.00 C ATOM 60 C GLN A 5 0.106 -1.581 -19.108 1.00 0.00 C ATOM 61 O GLN A 5 -0.231 -0.573 -18.489 1.00 0.00 O ATOM 62 CB GLN A 5 2.384 -1.662 -20.152 1.00 0.00 C ATOM 63 CG GLN A 5 3.872 -1.877 -19.943 1.00 0.00 C ATOM 64 CD GLN A 5 4.676 -1.585 -21.193 1.00 0.00 C ATOM 65 OE1 GLN A 5 4.157 -1.643 -22.312 1.00 0.00 O ATOM 66 NE2 GLN A 5 5.953 -1.267 -21.013 1.00 0.00 N ATOM 0 H GLN A 5 2.063 -4.002 -19.613 1.00 0.00 H new ATOM 0 HA GLN A 5 1.940 -1.659 -18.048 1.00 0.00 H new ATOM 0 HB2 GLN A 5 2.066 -2.216 -21.035 1.00 0.00 H new ATOM 0 HB3 GLN A 5 2.203 -0.607 -20.355 1.00 0.00 H new ATOM 0 HG2 GLN A 5 4.219 -1.236 -19.132 1.00 0.00 H new ATOM 0 HG3 GLN A 5 4.048 -2.907 -19.633 1.00 0.00 H new ATOM 0 HE21 GLN A 5 6.342 -1.231 -20.071 1.00 0.00 H new ATOM 0 HE22 GLN A 5 6.545 -1.059 -21.817 1.00 0.00 H new ATOM 75 N LYS A 6 -0.716 -2.268 -19.905 1.00 0.00 N ATOM 76 CA LYS A 6 -2.115 -1.899 -20.078 1.00 0.00 C ATOM 77 C LYS A 6 -2.871 -2.022 -18.768 1.00 0.00 C ATOM 78 O LYS A 6 -3.713 -1.173 -18.484 1.00 0.00 O ATOM 79 CB LYS A 6 -2.770 -2.762 -21.153 1.00 0.00 C ATOM 80 CG LYS A 6 -2.309 -2.458 -22.572 1.00 0.00 C ATOM 81 CD LYS A 6 -2.965 -3.393 -23.576 1.00 0.00 C ATOM 82 CE LYS A 6 -2.490 -3.107 -24.993 1.00 0.00 C ATOM 83 NZ LYS A 6 -3.119 -4.026 -25.982 1.00 0.00 N ATOM 0 H LYS A 6 -0.430 -3.087 -20.442 1.00 0.00 H new ATOM 0 HA LYS A 6 -2.153 -0.858 -20.399 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -2.566 -3.810 -20.934 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -3.851 -2.630 -21.099 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -2.550 -1.425 -22.822 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -1.225 -2.556 -22.634 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -2.737 -4.427 -23.316 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -4.048 -3.283 -23.524 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -2.725 -2.075 -25.254 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -1.406 -3.208 -25.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -2.771 -3.800 -26.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -2.874 -5.009 -25.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -4.152 -3.911 -25.954 1.00 0.00 H new ATOM 97 N ARG A 7 -2.579 -3.062 -17.983 1.00 0.00 N ATOM 98 CA ARG A 7 -3.179 -3.206 -16.664 1.00 0.00 C ATOM 99 C ARG A 7 -2.834 -2.023 -15.778 1.00 0.00 C ATOM 100 O ARG A 7 -3.704 -1.518 -15.067 1.00 0.00 O ATOM 101 CB ARG A 7 -2.748 -4.506 -15.997 1.00 0.00 C ATOM 102 CG ARG A 7 -3.215 -4.611 -14.557 1.00 0.00 C ATOM 103 CD ARG A 7 -4.689 -4.537 -14.404 1.00 0.00 C ATOM 104 NE ARG A 7 -5.010 -4.446 -12.992 1.00 0.00 N ATOM 105 CZ ARG A 7 -5.361 -5.426 -12.138 1.00 0.00 C ATOM 106 NH1 ARG A 7 -5.528 -6.665 -12.543 1.00 0.00 N ATOM 107 NH2 ARG A 7 -5.531 -5.080 -10.873 1.00 0.00 N ATOM 0 H ARG A 7 -1.935 -3.810 -18.240 1.00 0.00 H new ATOM 0 HA ARG A 7 -4.260 -3.235 -16.800 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -3.143 -5.349 -16.565 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -1.661 -4.582 -16.028 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -2.861 -5.552 -14.137 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -2.757 -3.811 -13.976 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -5.080 -3.670 -14.936 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -5.158 -5.418 -14.841 1.00 0.00 H new ATOM 0 HE ARG A 7 -4.963 -3.510 -12.590 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -5.391 -6.903 -13.525 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -5.794 -7.388 -11.875 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -5.396 -4.110 -10.587 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -5.797 -5.783 -10.183 1.00 0.00 H new ATOM 121 N LEU A 8 -1.575 -1.595 -15.815 1.00 0.00 N ATOM 122 CA LEU A 8 -1.171 -0.436 -15.039 1.00 0.00 C ATOM 123 C LEU A 8 -1.850 0.843 -15.513 1.00 0.00 C ATOM 124 O LEU A 8 -2.183 1.689 -14.685 1.00 0.00 O ATOM 125 CB LEU A 8 0.347 -0.299 -15.107 1.00 0.00 C ATOM 126 CG LEU A 8 1.071 -1.410 -14.358 1.00 0.00 C ATOM 127 CD1 LEU A 8 2.568 -1.278 -14.563 1.00 0.00 C ATOM 128 CD2 LEU A 8 0.682 -1.318 -12.900 1.00 0.00 C ATOM 0 H LEU A 8 -0.832 -2.027 -16.365 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.486 -0.588 -14.006 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.662 -0.305 -16.150 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.640 0.665 -14.691 1.00 0.00 H new ATOM 0 HG LEU A 8 0.786 -2.392 -14.736 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.081 -2.075 -14.025 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.798 -1.352 -15.626 1.00 0.00 H new ATOM 0 HD13 LEU A 8 2.903 -0.312 -14.186 1.00 0.00 H new ATOM 0 HD21 LEU A 8 1.187 -2.104 -12.338 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.975 -0.345 -12.506 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.397 -1.439 -12.803 1.00 0.00 H new ATOM 140 N GLN A 9 -2.062 0.982 -16.822 1.00 0.00 N ATOM 141 CA GLN A 9 -2.762 2.141 -17.361 1.00 0.00 C ATOM 142 C GLN A 9 -4.202 2.164 -16.872 1.00 0.00 C ATOM 143 O GLN A 9 -4.714 3.229 -16.520 1.00 0.00 O ATOM 144 CB GLN A 9 -2.726 2.119 -18.890 1.00 0.00 C ATOM 145 CG GLN A 9 -1.356 2.381 -19.488 1.00 0.00 C ATOM 146 CD GLN A 9 -1.339 2.201 -20.993 1.00 0.00 C ATOM 147 OE1 GLN A 9 -2.178 1.497 -21.563 1.00 0.00 O ATOM 148 NE2 GLN A 9 -0.378 2.840 -21.650 1.00 0.00 N ATOM 0 H GLN A 9 -1.759 0.307 -17.524 1.00 0.00 H new ATOM 0 HA GLN A 9 -2.259 3.043 -17.011 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -3.080 1.148 -19.236 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -3.423 2.866 -19.269 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -1.043 3.396 -19.243 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -0.630 1.706 -19.036 1.00 0.00 H new ATOM 0 HE21 GLN A 9 0.295 3.412 -21.140 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -0.313 2.759 -22.665 1.00 0.00 H new ATOM 157 N LYS A 10 -4.838 0.990 -16.850 1.00 0.00 N ATOM 158 CA LYS A 10 -6.200 0.855 -16.363 1.00 0.00 C ATOM 159 C LYS A 10 -6.283 1.231 -14.896 1.00 0.00 C ATOM 160 O LYS A 10 -7.250 1.877 -14.491 1.00 0.00 O ATOM 161 CB LYS A 10 -6.699 -0.575 -16.566 1.00 0.00 C ATOM 162 CG LYS A 10 -6.961 -0.956 -18.016 1.00 0.00 C ATOM 163 CD LYS A 10 -7.404 -2.407 -18.128 1.00 0.00 C ATOM 164 CE LYS A 10 -7.652 -2.798 -19.578 1.00 0.00 C ATOM 165 NZ LYS A 10 -8.076 -4.221 -19.703 1.00 0.00 N ATOM 0 H LYS A 10 -4.421 0.115 -17.169 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.835 1.534 -16.933 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -5.964 -1.264 -16.150 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -7.619 -0.709 -15.997 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -7.729 -0.305 -18.434 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -6.057 -0.802 -18.605 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -6.641 -3.057 -17.699 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -8.314 -2.558 -17.547 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -8.420 -2.151 -20.003 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -6.743 -2.637 -20.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -8.235 -4.449 -20.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -7.332 -4.840 -19.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -8.957 -4.369 -19.170 1.00 0.00 H new ATOM 179 N GLU A 11 -5.291 0.819 -14.106 1.00 0.00 N ATOM 180 CA GLU A 11 -5.273 1.205 -12.707 1.00 0.00 C ATOM 181 C GLU A 11 -5.025 2.683 -12.517 1.00 0.00 C ATOM 182 O GLU A 11 -5.586 3.247 -11.583 1.00 0.00 O ATOM 183 CB GLU A 11 -4.257 0.391 -11.926 1.00 0.00 C ATOM 184 CG GLU A 11 -4.726 -1.031 -11.746 1.00 0.00 C ATOM 185 CD GLU A 11 -3.815 -1.893 -10.938 1.00 0.00 C ATOM 186 OE1 GLU A 11 -2.654 -2.044 -11.234 1.00 0.00 O ATOM 187 OE2 GLU A 11 -4.326 -2.472 -10.010 1.00 0.00 O ATOM 0 H GLU A 11 -4.511 0.234 -14.406 1.00 0.00 H new ATOM 0 HA GLU A 11 -6.267 0.992 -12.315 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -3.301 0.399 -12.449 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -4.091 0.849 -10.951 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.707 -1.018 -11.271 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -4.854 -1.484 -12.729 1.00 0.00 H new ATOM 194 N LEU A 12 -4.213 3.320 -13.358 1.00 0.00 N ATOM 195 CA LEU A 12 -4.076 4.761 -13.215 1.00 0.00 C ATOM 196 C LEU A 12 -5.408 5.438 -13.464 1.00 0.00 C ATOM 197 O LEU A 12 -5.750 6.371 -12.742 1.00 0.00 O ATOM 198 CB LEU A 12 -3.039 5.322 -14.186 1.00 0.00 C ATOM 199 CG LEU A 12 -1.598 4.953 -13.864 1.00 0.00 C ATOM 200 CD1 LEU A 12 -0.688 5.391 -14.999 1.00 0.00 C ATOM 201 CD2 LEU A 12 -1.208 5.626 -12.551 1.00 0.00 C ATOM 0 H LEU A 12 -3.669 2.888 -14.105 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.742 4.961 -12.197 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.274 4.969 -15.190 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.126 6.408 -14.201 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.495 3.873 -13.755 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.342 5.124 -14.763 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.990 4.893 -15.920 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.763 6.471 -15.129 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.177 5.372 -12.304 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.301 6.707 -12.655 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.867 5.280 -11.755 1.00 0.00 H new ATOM 213 N LEU A 13 -6.156 4.963 -14.457 1.00 0.00 N ATOM 214 CA LEU A 13 -7.466 5.524 -14.740 1.00 0.00 C ATOM 215 C LEU A 13 -8.432 5.291 -13.584 1.00 0.00 C ATOM 216 O LEU A 13 -9.219 6.180 -13.257 1.00 0.00 O ATOM 217 CB LEU A 13 -8.014 4.891 -16.020 1.00 0.00 C ATOM 218 CG LEU A 13 -7.271 5.271 -17.304 1.00 0.00 C ATOM 219 CD1 LEU A 13 -7.790 4.417 -18.452 1.00 0.00 C ATOM 220 CD2 LEU A 13 -7.480 6.753 -17.577 1.00 0.00 C ATOM 0 H LEU A 13 -5.877 4.198 -15.072 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.364 6.601 -14.871 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.987 3.807 -15.911 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -9.061 5.175 -16.127 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.202 5.088 -17.198 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -7.265 4.683 -19.369 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.619 3.364 -18.228 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -8.858 4.592 -18.582 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -6.954 7.032 -18.490 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -8.545 6.955 -17.695 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -7.091 7.335 -16.742 1.00 0.00 H new ATOM 232 N ALA A 14 -8.366 4.103 -12.977 1.00 0.00 N ATOM 233 CA ALA A 14 -9.196 3.751 -11.832 1.00 0.00 C ATOM 234 C ALA A 14 -8.904 4.647 -10.641 1.00 0.00 C ATOM 235 O ALA A 14 -9.835 5.081 -9.966 1.00 0.00 O ATOM 236 CB ALA A 14 -8.969 2.297 -11.450 1.00 0.00 C ATOM 0 H ALA A 14 -7.732 3.359 -13.270 1.00 0.00 H new ATOM 0 HA ALA A 14 -10.238 3.894 -12.118 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -9.594 2.044 -10.593 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -9.229 1.655 -12.291 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -7.921 2.148 -11.191 1.00 0.00 H new ATOM 242 N LEU A 15 -7.622 4.899 -10.392 1.00 0.00 N ATOM 243 CA LEU A 15 -7.156 5.754 -9.313 1.00 0.00 C ATOM 244 C LEU A 15 -7.484 7.216 -9.562 1.00 0.00 C ATOM 245 O LEU A 15 -7.706 7.964 -8.616 1.00 0.00 O ATOM 246 CB LEU A 15 -5.652 5.536 -9.138 1.00 0.00 C ATOM 247 CG LEU A 15 -5.291 4.146 -8.589 1.00 0.00 C ATOM 248 CD1 LEU A 15 -3.788 3.920 -8.643 1.00 0.00 C ATOM 249 CD2 LEU A 15 -5.777 4.060 -7.155 1.00 0.00 C ATOM 0 H LEU A 15 -6.864 4.504 -10.949 1.00 0.00 H new ATOM 0 HA LEU A 15 -7.675 5.485 -8.393 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -5.159 5.677 -10.100 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.259 6.297 -8.464 1.00 0.00 H new ATOM 0 HG LEU A 15 -5.767 3.377 -9.197 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.554 2.931 -8.250 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.446 3.990 -9.676 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.284 4.677 -8.042 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -5.531 3.080 -6.746 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -5.293 4.834 -6.560 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -6.857 4.204 -7.128 1.00 0.00 H new ATOM 261 N GLN A 16 -7.483 7.648 -10.821 1.00 0.00 N ATOM 262 CA GLN A 16 -7.899 9.008 -11.131 1.00 0.00 C ATOM 263 C GLN A 16 -9.392 9.173 -10.886 1.00 0.00 C ATOM 264 O GLN A 16 -9.828 10.198 -10.359 1.00 0.00 O ATOM 265 CB GLN A 16 -7.558 9.359 -12.581 1.00 0.00 C ATOM 266 CG GLN A 16 -6.074 9.525 -12.855 1.00 0.00 C ATOM 267 CD GLN A 16 -5.773 9.708 -14.329 1.00 0.00 C ATOM 268 OE1 GLN A 16 -6.593 9.386 -15.193 1.00 0.00 O ATOM 269 NE2 GLN A 16 -4.588 10.228 -14.627 1.00 0.00 N ATOM 0 H GLN A 16 -7.204 7.087 -11.626 1.00 0.00 H new ATOM 0 HA GLN A 16 -7.359 9.690 -10.475 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -7.950 8.578 -13.233 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -8.070 10.284 -12.848 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -5.700 10.386 -12.301 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -5.539 8.651 -12.484 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -3.940 10.480 -13.881 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -4.326 10.375 -15.602 1.00 0.00 H new ATOM 278 N ASN A 17 -10.177 8.174 -11.281 1.00 0.00 N ATOM 279 CA ASN A 17 -11.613 8.217 -11.060 1.00 0.00 C ATOM 280 C ASN A 17 -12.014 8.008 -9.602 1.00 0.00 C ATOM 281 O ASN A 17 -13.007 8.581 -9.151 1.00 0.00 O ATOM 282 CB ASN A 17 -12.288 7.187 -11.939 1.00 0.00 C ATOM 283 CG ASN A 17 -12.288 7.599 -13.384 1.00 0.00 C ATOM 284 OD1 ASN A 17 -12.168 8.787 -13.704 1.00 0.00 O ATOM 285 ND2 ASN A 17 -12.425 6.642 -14.266 1.00 0.00 N ATOM 0 H ASN A 17 -9.843 7.333 -11.752 1.00 0.00 H new ATOM 0 HA ASN A 17 -11.944 9.222 -11.323 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -11.778 6.230 -11.834 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -13.314 7.040 -11.603 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -12.436 6.864 -15.262 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -12.521 5.674 -13.958 1.00 0.00 H new ATOM 292 N ASP A 18 -11.261 7.195 -8.867 1.00 0.00 N ATOM 293 CA ASP A 18 -11.572 6.946 -7.471 1.00 0.00 C ATOM 294 C ASP A 18 -10.339 6.567 -6.650 1.00 0.00 C ATOM 295 O ASP A 18 -10.085 5.385 -6.409 1.00 0.00 O ATOM 296 CB ASP A 18 -12.610 5.826 -7.385 1.00 0.00 C ATOM 297 CG ASP A 18 -13.136 5.571 -5.980 1.00 0.00 C ATOM 298 OD1 ASP A 18 -12.703 6.233 -5.068 1.00 0.00 O ATOM 299 OD2 ASP A 18 -13.964 4.703 -5.834 1.00 0.00 O ATOM 0 H ASP A 18 -10.438 6.703 -9.215 1.00 0.00 H new ATOM 0 HA ASP A 18 -11.963 7.872 -7.049 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -13.449 6.072 -8.036 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -12.168 4.906 -7.768 1.00 0.00 H new ATOM 304 N PRO A 19 -9.548 7.540 -6.203 1.00 0.00 N ATOM 305 CA PRO A 19 -8.395 7.300 -5.379 1.00 0.00 C ATOM 306 C PRO A 19 -8.844 6.984 -3.953 1.00 0.00 C ATOM 307 O PRO A 19 -9.928 7.421 -3.562 1.00 0.00 O ATOM 308 CB PRO A 19 -7.664 8.636 -5.489 1.00 0.00 C ATOM 309 CG PRO A 19 -8.768 9.640 -5.719 1.00 0.00 C ATOM 310 CD PRO A 19 -9.833 8.937 -6.545 1.00 0.00 C ATOM 0 HA PRO A 19 -7.771 6.455 -5.670 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -7.104 8.860 -4.581 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -6.949 8.633 -6.312 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -9.180 9.986 -4.771 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -8.390 10.518 -6.242 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -10.842 9.236 -6.263 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -9.728 9.133 -7.612 1.00 0.00 H new ATOM 318 N PRO A 20 -8.070 6.229 -3.171 1.00 0.00 N ATOM 319 CA PRO A 20 -8.361 5.940 -1.787 1.00 0.00 C ATOM 320 C PRO A 20 -8.496 7.250 -0.999 1.00 0.00 C ATOM 321 O PRO A 20 -7.771 8.195 -1.312 1.00 0.00 O ATOM 322 CB PRO A 20 -7.122 5.135 -1.381 1.00 0.00 C ATOM 323 CG PRO A 20 -6.612 4.552 -2.670 1.00 0.00 C ATOM 324 CD PRO A 20 -6.873 5.597 -3.732 1.00 0.00 C ATOM 0 HA PRO A 20 -9.293 5.406 -1.605 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -6.373 5.771 -0.909 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -7.374 4.353 -0.664 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -5.549 4.323 -2.601 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -7.124 3.619 -2.906 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -6.044 6.296 -3.842 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -7.053 5.159 -4.714 1.00 0.00 H new ATOM 332 N PRO A 21 -9.391 7.347 -0.010 1.00 0.00 N ATOM 333 CA PRO A 21 -9.584 8.533 0.797 1.00 0.00 C ATOM 334 C PRO A 21 -8.297 9.037 1.430 1.00 0.00 C ATOM 335 O PRO A 21 -7.632 8.317 2.175 1.00 0.00 O ATOM 336 CB PRO A 21 -10.567 8.008 1.850 1.00 0.00 C ATOM 337 CG PRO A 21 -11.306 6.904 1.148 1.00 0.00 C ATOM 338 CD PRO A 21 -10.273 6.215 0.285 1.00 0.00 C ATOM 0 HA PRO A 21 -9.936 9.395 0.230 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -10.045 7.639 2.733 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -11.247 8.791 2.186 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -11.747 6.210 1.863 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -12.122 7.300 0.544 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -9.758 5.412 0.812 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -10.706 5.779 -0.615 1.00 0.00 H new ATOM 346 N GLY A 22 -7.966 10.291 1.136 1.00 0.00 N ATOM 347 CA GLY A 22 -6.758 10.922 1.653 1.00 0.00 C ATOM 348 C GLY A 22 -5.516 10.505 0.867 1.00 0.00 C ATOM 349 O GLY A 22 -4.392 10.725 1.313 1.00 0.00 O ATOM 0 H GLY A 22 -8.526 10.896 0.535 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -6.868 12.006 1.610 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -6.630 10.656 2.702 1.00 0.00 H new ATOM 353 N MET A 23 -5.690 9.878 -0.295 1.00 0.00 N ATOM 354 CA MET A 23 -4.525 9.435 -1.044 1.00 0.00 C ATOM 355 C MET A 23 -4.549 9.815 -2.524 1.00 0.00 C ATOM 356 O MET A 23 -5.606 10.047 -3.109 1.00 0.00 O ATOM 357 CB MET A 23 -4.414 7.915 -0.914 1.00 0.00 C ATOM 358 CG MET A 23 -4.282 7.402 0.520 1.00 0.00 C ATOM 359 SD MET A 23 -4.097 5.618 0.633 1.00 0.00 S ATOM 360 CE MET A 23 -2.462 5.508 -0.072 1.00 0.00 C ATOM 0 H MET A 23 -6.593 9.673 -0.723 1.00 0.00 H new ATOM 0 HA MET A 23 -3.662 9.946 -0.617 1.00 0.00 H new ATOM 0 HB2 MET A 23 -5.295 7.460 -1.368 1.00 0.00 H new ATOM 0 HB3 MET A 23 -3.550 7.578 -1.487 1.00 0.00 H new ATOM 0 HG2 MET A 23 -3.421 7.878 0.989 1.00 0.00 H new ATOM 0 HG3 MET A 23 -5.162 7.704 1.087 1.00 0.00 H new ATOM 0 HE1 MET A 23 -1.926 4.674 0.381 1.00 0.00 H new ATOM 0 HE2 MET A 23 -2.539 5.348 -1.147 1.00 0.00 H new ATOM 0 HE3 MET A 23 -1.920 6.434 0.119 1.00 0.00 H new ATOM 370 N THR A 24 -3.359 9.907 -3.112 1.00 0.00 N ATOM 371 CA THR A 24 -3.204 10.188 -4.541 1.00 0.00 C ATOM 372 C THR A 24 -1.877 9.642 -5.034 1.00 0.00 C ATOM 373 O THR A 24 -1.189 8.970 -4.278 1.00 0.00 O ATOM 374 CB THR A 24 -3.298 11.695 -4.850 1.00 0.00 C ATOM 375 OG1 THR A 24 -3.361 11.864 -6.274 1.00 0.00 O ATOM 376 CG2 THR A 24 -2.106 12.455 -4.285 1.00 0.00 C ATOM 0 H THR A 24 -2.476 9.790 -2.615 1.00 0.00 H new ATOM 0 HA THR A 24 -4.024 9.694 -5.063 1.00 0.00 H new ATOM 0 HB THR A 24 -4.194 12.099 -4.379 1.00 0.00 H new ATOM 0 HG1 THR A 24 -2.584 12.379 -6.577 1.00 0.00 H new ATOM 0 HG21 THR A 24 -2.205 13.514 -4.521 1.00 0.00 H new ATOM 0 HG22 THR A 24 -2.072 12.326 -3.203 1.00 0.00 H new ATOM 0 HG23 THR A 24 -1.187 12.069 -4.725 1.00 0.00 H new ATOM 384 N LEU A 25 -1.489 9.947 -6.268 1.00 0.00 N ATOM 385 CA LEU A 25 -0.231 9.378 -6.748 1.00 0.00 C ATOM 386 C LEU A 25 0.311 9.938 -8.049 1.00 0.00 C ATOM 387 O LEU A 25 -0.330 10.730 -8.742 1.00 0.00 O ATOM 388 CB LEU A 25 -0.355 7.868 -6.994 1.00 0.00 C ATOM 389 CG LEU A 25 -1.143 7.425 -8.229 1.00 0.00 C ATOM 390 CD1 LEU A 25 -0.760 5.987 -8.552 1.00 0.00 C ATOM 391 CD2 LEU A 25 -2.633 7.552 -7.956 1.00 0.00 C ATOM 0 H LEU A 25 -1.991 10.548 -6.922 1.00 0.00 H new ATOM 0 HA LEU A 25 0.452 9.642 -5.941 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.650 7.454 -7.068 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.821 7.420 -6.117 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.907 8.057 -9.085 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.312 5.652 -9.430 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.310 5.932 -8.753 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.004 5.346 -7.704 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.192 7.236 -8.837 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.903 6.921 -7.109 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.874 8.590 -7.726 1.00 0.00 H new ATOM 403 N ASN A 26 1.524 9.493 -8.353 1.00 0.00 N ATOM 404 CA ASN A 26 2.198 9.798 -9.601 1.00 0.00 C ATOM 405 C ASN A 26 3.113 8.624 -9.937 1.00 0.00 C ATOM 406 O ASN A 26 3.175 7.644 -9.196 1.00 0.00 O ATOM 407 CB ASN A 26 2.958 11.109 -9.507 1.00 0.00 C ATOM 408 CG ASN A 26 4.044 11.096 -8.468 1.00 0.00 C ATOM 409 OD1 ASN A 26 4.930 10.236 -8.494 1.00 0.00 O ATOM 410 ND2 ASN A 26 3.992 12.035 -7.557 1.00 0.00 N ATOM 0 H ASN A 26 2.072 8.902 -7.728 1.00 0.00 H new ATOM 0 HA ASN A 26 1.472 9.931 -10.403 1.00 0.00 H new ATOM 0 HB2 ASN A 26 3.397 11.336 -10.478 1.00 0.00 H new ATOM 0 HB3 ASN A 26 2.257 11.912 -9.279 1.00 0.00 H new ATOM 0 HD21 ASN A 26 4.703 12.078 -6.827 1.00 0.00 H new ATOM 0 HD22 ASN A 26 3.240 12.724 -7.577 1.00 0.00 H new ATOM 542 N THR A 35 9.581 0.946 -13.385 1.00 0.00 N ATOM 543 CA THR A 35 8.763 -0.083 -12.768 1.00 0.00 C ATOM 544 C THR A 35 8.013 0.376 -11.525 1.00 0.00 C ATOM 545 O THR A 35 7.302 -0.417 -10.917 1.00 0.00 O ATOM 546 CB THR A 35 9.665 -1.258 -12.361 1.00 0.00 C ATOM 547 OG1 THR A 35 10.629 -0.777 -11.413 1.00 0.00 O ATOM 548 CG2 THR A 35 10.391 -1.819 -13.573 1.00 0.00 C ATOM 0 HA THR A 35 8.017 -0.361 -13.512 1.00 0.00 H new ATOM 0 HB THR A 35 9.056 -2.050 -11.926 1.00 0.00 H new ATOM 0 HG1 THR A 35 10.888 0.139 -11.646 1.00 0.00 H new ATOM 0 HG21 THR A 35 11.025 -2.650 -13.265 1.00 0.00 H new ATOM 0 HG22 THR A 35 9.662 -2.170 -14.304 1.00 0.00 H new ATOM 0 HG23 THR A 35 11.007 -1.039 -14.021 1.00 0.00 H new ATOM 556 N GLN A 36 8.152 1.640 -11.121 1.00 0.00 N ATOM 557 CA GLN A 36 7.513 2.050 -9.871 1.00 0.00 C ATOM 558 C GLN A 36 6.598 3.270 -9.851 1.00 0.00 C ATOM 559 O GLN A 36 6.780 4.217 -10.615 1.00 0.00 O ATOM 560 CB GLN A 36 8.608 2.315 -8.833 1.00 0.00 C ATOM 561 CG GLN A 36 9.415 1.100 -8.409 1.00 0.00 C ATOM 562 CD GLN A 36 10.522 1.429 -7.427 1.00 0.00 C ATOM 563 OE1 GLN A 36 11.453 2.166 -7.773 1.00 0.00 O ATOM 564 NE2 GLN A 36 10.434 0.893 -6.215 1.00 0.00 N ATOM 0 H GLN A 36 8.674 2.365 -11.613 1.00 0.00 H new ATOM 0 HA GLN A 36 6.845 1.212 -9.673 1.00 0.00 H new ATOM 0 HB2 GLN A 36 9.293 3.062 -9.235 1.00 0.00 H new ATOM 0 HB3 GLN A 36 8.146 2.750 -7.947 1.00 0.00 H new ATOM 0 HG2 GLN A 36 8.746 0.367 -7.959 1.00 0.00 H new ATOM 0 HG3 GLN A 36 9.850 0.634 -9.293 1.00 0.00 H new ATOM 0 HE21 GLN A 36 9.645 0.291 -5.980 1.00 0.00 H new ATOM 0 HE22 GLN A 36 11.156 1.083 -5.520 1.00 0.00 H new ATOM 573 N TRP A 37 5.598 3.197 -8.970 1.00 0.00 N ATOM 574 CA TRP A 37 4.678 4.300 -8.685 1.00 0.00 C ATOM 575 C TRP A 37 4.922 4.856 -7.296 1.00 0.00 C ATOM 576 O TRP A 37 5.327 4.130 -6.386 1.00 0.00 O ATOM 577 CB TRP A 37 3.205 3.904 -8.746 1.00 0.00 C ATOM 578 CG TRP A 37 2.690 3.590 -10.105 1.00 0.00 C ATOM 579 CD1 TRP A 37 3.321 3.775 -11.296 1.00 0.00 C ATOM 580 CD2 TRP A 37 1.400 3.017 -10.414 1.00 0.00 C ATOM 581 NE1 TRP A 37 2.520 3.352 -12.323 1.00 0.00 N ATOM 582 CE2 TRP A 37 1.344 2.884 -11.800 1.00 0.00 C ATOM 583 CE3 TRP A 37 0.308 2.610 -9.635 1.00 0.00 C ATOM 584 CZ2 TRP A 37 0.238 2.359 -12.430 1.00 0.00 C ATOM 585 CZ3 TRP A 37 -0.806 2.084 -10.276 1.00 0.00 C ATOM 586 CH2 TRP A 37 -0.833 1.964 -11.637 1.00 0.00 C ATOM 0 H TRP A 37 5.402 2.357 -8.426 1.00 0.00 H new ATOM 0 HA TRP A 37 4.878 5.037 -9.463 1.00 0.00 H new ATOM 0 HB2 TRP A 37 3.052 3.034 -8.107 1.00 0.00 H new ATOM 0 HB3 TRP A 37 2.609 4.715 -8.328 1.00 0.00 H new ATOM 0 HD1 TRP A 37 4.309 4.194 -11.414 1.00 0.00 H new ATOM 0 HE1 TRP A 37 2.760 3.381 -13.314 1.00 0.00 H new ATOM 0 HE3 TRP A 37 0.332 2.703 -8.559 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 0.204 2.257 -13.505 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -1.659 1.767 -9.694 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -1.712 1.550 -12.110 1.00 0.00 H new ATOM 597 N ILE A 38 4.660 6.152 -7.143 1.00 0.00 N ATOM 598 CA ILE A 38 4.809 6.827 -5.859 1.00 0.00 C ATOM 599 C ILE A 38 3.430 7.302 -5.408 1.00 0.00 C ATOM 600 O ILE A 38 2.814 8.164 -6.033 1.00 0.00 O ATOM 601 CB ILE A 38 5.770 8.019 -5.938 1.00 0.00 C ATOM 602 CG1 ILE A 38 7.146 7.551 -6.411 1.00 0.00 C ATOM 603 CG2 ILE A 38 5.869 8.657 -4.558 1.00 0.00 C ATOM 604 CD1 ILE A 38 8.091 8.683 -6.735 1.00 0.00 C ATOM 0 H ILE A 38 4.341 6.758 -7.899 1.00 0.00 H new ATOM 0 HA ILE A 38 5.235 6.124 -5.143 1.00 0.00 H new ATOM 0 HB ILE A 38 5.397 8.752 -6.653 1.00 0.00 H new ATOM 0 HG12 ILE A 38 7.593 6.925 -5.638 1.00 0.00 H new ATOM 0 HG13 ILE A 38 7.024 6.926 -7.296 1.00 0.00 H new ATOM 0 HG21 ILE A 38 6.550 9.507 -4.598 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.882 8.997 -4.243 1.00 0.00 H new ATOM 0 HG23 ILE A 38 6.246 7.924 -3.844 1.00 0.00 H new ATOM 0 HD11 ILE A 38 9.047 8.276 -7.064 1.00 0.00 H new ATOM 0 HD12 ILE A 38 7.665 9.296 -7.529 1.00 0.00 H new ATOM 0 HD13 ILE A 38 8.244 9.295 -5.846 1.00 0.00 H new ATOM 616 N VAL A 39 2.943 6.751 -4.305 1.00 0.00 N ATOM 617 CA VAL A 39 1.604 7.070 -3.840 1.00 0.00 C ATOM 618 C VAL A 39 1.596 7.889 -2.555 1.00 0.00 C ATOM 619 O VAL A 39 2.134 7.486 -1.528 1.00 0.00 O ATOM 620 CB VAL A 39 0.826 5.760 -3.632 1.00 0.00 C ATOM 621 CG1 VAL A 39 -0.567 6.062 -3.125 1.00 0.00 C ATOM 622 CG2 VAL A 39 0.772 4.969 -4.932 1.00 0.00 C ATOM 0 H VAL A 39 3.451 6.087 -3.721 1.00 0.00 H new ATOM 0 HA VAL A 39 1.129 7.688 -4.602 1.00 0.00 H new ATOM 0 HB VAL A 39 1.340 5.153 -2.886 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.112 5.129 -2.980 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.501 6.595 -2.176 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.093 6.680 -3.853 1.00 0.00 H new ATOM 0 HG21 VAL A 39 0.219 4.044 -4.772 1.00 0.00 H new ATOM 0 HG22 VAL A 39 0.273 5.562 -5.698 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.785 4.734 -5.257 1.00 0.00 H new ATOM 632 N ASP A 40 0.978 9.059 -2.606 1.00 0.00 N ATOM 633 CA ASP A 40 0.925 9.918 -1.430 1.00 0.00 C ATOM 634 C ASP A 40 -0.213 9.550 -0.483 1.00 0.00 C ATOM 635 O ASP A 40 -1.346 9.316 -0.905 1.00 0.00 O ATOM 636 CB ASP A 40 0.813 11.386 -1.832 1.00 0.00 C ATOM 637 CG ASP A 40 2.109 11.926 -2.427 1.00 0.00 C ATOM 638 OD1 ASP A 40 3.090 11.225 -2.370 1.00 0.00 O ATOM 639 OD2 ASP A 40 2.131 13.053 -2.867 1.00 0.00 O ATOM 0 H ASP A 40 0.513 9.432 -3.433 1.00 0.00 H new ATOM 0 HA ASP A 40 1.860 9.761 -0.893 1.00 0.00 H new ATOM 0 HB2 ASP A 40 0.008 11.501 -2.558 1.00 0.00 H new ATOM 0 HB3 ASP A 40 0.542 11.979 -0.959 1.00 0.00 H new ATOM 644 N MET A 41 0.089 9.532 0.814 1.00 0.00 N ATOM 645 CA MET A 41 -0.892 9.209 1.840 1.00 0.00 C ATOM 646 C MET A 41 -1.042 10.235 2.955 1.00 0.00 C ATOM 647 O MET A 41 -0.076 10.636 3.599 1.00 0.00 O ATOM 648 CB MET A 41 -0.507 7.894 2.509 1.00 0.00 C ATOM 649 CG MET A 41 -1.457 7.452 3.613 1.00 0.00 C ATOM 650 SD MET A 41 -0.954 5.923 4.423 1.00 0.00 S ATOM 651 CE MET A 41 -1.250 4.657 3.197 1.00 0.00 C ATOM 0 H MET A 41 1.018 9.741 1.179 1.00 0.00 H new ATOM 0 HA MET A 41 -1.841 9.171 1.305 1.00 0.00 H new ATOM 0 HB2 MET A 41 -0.462 7.113 1.750 1.00 0.00 H new ATOM 0 HB3 MET A 41 0.495 7.992 2.926 1.00 0.00 H new ATOM 0 HG2 MET A 41 -1.528 8.243 4.359 1.00 0.00 H new ATOM 0 HG3 MET A 41 -2.454 7.320 3.193 1.00 0.00 H new ATOM 0 HE1 MET A 41 -1.195 3.675 3.667 1.00 0.00 H new ATOM 0 HE2 MET A 41 -2.240 4.796 2.762 1.00 0.00 H new ATOM 0 HE3 MET A 41 -0.496 4.727 2.413 1.00 0.00 H new ATOM 661 N GLU A 42 -2.275 10.660 3.196 1.00 0.00 N ATOM 662 CA GLU A 42 -2.585 11.550 4.303 1.00 0.00 C ATOM 663 C GLU A 42 -3.124 10.732 5.465 1.00 0.00 C ATOM 664 O GLU A 42 -4.075 9.969 5.292 1.00 0.00 O ATOM 665 CB GLU A 42 -3.610 12.604 3.892 1.00 0.00 C ATOM 666 CG GLU A 42 -3.972 13.595 4.988 1.00 0.00 C ATOM 667 CD GLU A 42 -4.992 14.599 4.529 1.00 0.00 C ATOM 668 OE1 GLU A 42 -5.418 14.508 3.402 1.00 0.00 O ATOM 669 OE2 GLU A 42 -5.346 15.459 5.300 1.00 0.00 O ATOM 0 H GLU A 42 -3.084 10.398 2.632 1.00 0.00 H new ATOM 0 HA GLU A 42 -1.673 12.066 4.602 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.222 13.155 3.035 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.518 12.100 3.562 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.360 13.054 5.851 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.073 14.117 5.316 1.00 0.00 H new ATOM 676 N GLY A 43 -2.512 10.874 6.635 1.00 0.00 N ATOM 677 CA GLY A 43 -2.967 10.170 7.821 1.00 0.00 C ATOM 678 C GLY A 43 -4.422 10.495 8.110 1.00 0.00 C ATOM 679 O GLY A 43 -4.772 11.643 8.395 1.00 0.00 O ATOM 0 H GLY A 43 -1.699 11.472 6.785 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -2.850 9.096 7.680 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -2.350 10.449 8.675 1.00 0.00 H new ATOM 683 N ALA A 44 -5.248 9.454 8.058 1.00 0.00 N ATOM 684 CA ALA A 44 -6.687 9.545 8.256 1.00 0.00 C ATOM 685 C ALA A 44 -7.079 10.121 9.631 1.00 0.00 C ATOM 686 O ALA A 44 -6.502 9.716 10.647 1.00 0.00 O ATOM 687 CB ALA A 44 -7.309 8.166 8.103 1.00 0.00 C ATOM 0 H ALA A 44 -4.926 8.504 7.873 1.00 0.00 H new ATOM 0 HA ALA A 44 -7.063 10.233 7.499 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -8.387 8.234 8.251 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.104 7.783 7.103 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -6.883 7.490 8.845 1.00 0.00 H new ATOM 693 N PRO A 45 -8.041 11.058 9.670 1.00 0.00 N ATOM 694 CA PRO A 45 -8.573 11.656 10.875 1.00 0.00 C ATOM 695 C PRO A 45 -9.097 10.644 11.873 1.00 0.00 C ATOM 696 O PRO A 45 -9.837 9.726 11.516 1.00 0.00 O ATOM 697 CB PRO A 45 -9.692 12.533 10.304 1.00 0.00 C ATOM 698 CG PRO A 45 -9.222 12.879 8.922 1.00 0.00 C ATOM 699 CD PRO A 45 -8.510 11.653 8.411 1.00 0.00 C ATOM 0 HA PRO A 45 -7.823 12.195 11.454 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -10.642 12.000 10.279 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -9.844 13.427 10.908 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -10.061 13.141 8.278 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -8.554 13.740 8.940 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -9.177 10.987 7.863 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -7.687 11.903 7.741 1.00 0.00 H new ATOM 707 N GLY A 46 -8.724 10.833 13.132 1.00 0.00 N ATOM 708 CA GLY A 46 -9.146 9.947 14.200 1.00 0.00 C ATOM 709 C GLY A 46 -8.164 8.806 14.435 1.00 0.00 C ATOM 710 O GLY A 46 -8.348 8.030 15.375 1.00 0.00 O ATOM 0 H GLY A 46 -8.125 11.600 13.437 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -9.258 10.520 15.120 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -10.126 9.535 13.960 1.00 0.00 H new ATOM 714 N THR A 47 -7.129 8.682 13.600 1.00 0.00 N ATOM 715 CA THR A 47 -6.175 7.604 13.801 1.00 0.00 C ATOM 716 C THR A 47 -4.903 8.140 14.415 1.00 0.00 C ATOM 717 O THR A 47 -4.680 9.347 14.496 1.00 0.00 O ATOM 718 CB THR A 47 -5.761 6.924 12.490 1.00 0.00 C ATOM 719 OG1 THR A 47 -4.948 7.831 11.735 1.00 0.00 O ATOM 720 CG2 THR A 47 -7.003 6.585 11.684 1.00 0.00 C ATOM 0 H THR A 47 -6.939 9.294 12.807 1.00 0.00 H new ATOM 0 HA THR A 47 -6.677 6.884 14.447 1.00 0.00 H new ATOM 0 HB THR A 47 -5.205 6.012 12.707 1.00 0.00 H new ATOM 0 HG1 THR A 47 -5.455 8.649 11.550 1.00 0.00 H new ATOM 0 HG21 THR A 47 -6.711 6.102 10.752 1.00 0.00 H new ATOM 0 HG22 THR A 47 -7.637 5.911 12.259 1.00 0.00 H new ATOM 0 HG23 THR A 47 -7.553 7.499 11.462 1.00 0.00 H new ATOM 728 N LEU A 48 -4.008 7.223 14.753 1.00 0.00 N ATOM 729 CA LEU A 48 -2.726 7.559 15.353 1.00 0.00 C ATOM 730 C LEU A 48 -1.714 8.070 14.331 1.00 0.00 C ATOM 731 O LEU A 48 -0.582 8.394 14.692 1.00 0.00 O ATOM 732 CB LEU A 48 -2.143 6.323 16.042 1.00 0.00 C ATOM 733 CG LEU A 48 -2.946 5.790 17.232 1.00 0.00 C ATOM 734 CD1 LEU A 48 -2.310 4.497 17.719 1.00 0.00 C ATOM 735 CD2 LEU A 48 -2.967 6.841 18.332 1.00 0.00 C ATOM 0 H LEU A 48 -4.151 6.222 14.618 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.911 8.358 16.071 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -2.050 5.527 15.303 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.135 6.560 16.383 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.974 5.581 16.937 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.876 4.110 18.567 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.316 3.763 16.913 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.282 4.690 18.026 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.538 6.467 19.182 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.946 7.058 18.647 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.432 7.752 17.956 1.00 0.00 H new ATOM 747 N TYR A 49 -2.112 8.131 13.060 1.00 0.00 N ATOM 748 CA TYR A 49 -1.253 8.579 11.993 1.00 0.00 C ATOM 749 C TYR A 49 -1.768 9.918 11.461 1.00 0.00 C ATOM 750 O TYR A 49 -1.136 10.498 10.574 1.00 0.00 O ATOM 751 CB TYR A 49 -1.254 7.476 10.936 1.00 0.00 C ATOM 752 CG TYR A 49 -0.807 6.188 11.589 1.00 0.00 C ATOM 753 CD1 TYR A 49 0.531 5.859 11.765 1.00 0.00 C ATOM 754 CD2 TYR A 49 -1.796 5.332 12.045 1.00 0.00 C ATOM 755 CE1 TYR A 49 0.867 4.675 12.403 1.00 0.00 C ATOM 756 CE2 TYR A 49 -1.458 4.159 12.682 1.00 0.00 C ATOM 757 CZ TYR A 49 -0.127 3.831 12.863 1.00 0.00 C ATOM 758 OH TYR A 49 0.158 2.653 13.513 1.00 0.00 O ATOM 0 H TYR A 49 -3.048 7.867 12.752 1.00 0.00 H new ATOM 0 HA TYR A 49 -0.228 8.752 12.322 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -2.251 7.359 10.511 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -0.586 7.737 10.115 1.00 0.00 H new ATOM 0 HD1 TYR A 49 1.305 6.522 11.407 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -2.836 5.586 11.900 1.00 0.00 H new ATOM 0 HE1 TYR A 49 1.905 4.412 12.541 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -2.232 3.496 13.040 1.00 0.00 H new ATOM 0 HH TYR A 49 1.124 2.492 13.490 1.00 0.00 H new ATOM 768 N GLU A 50 -2.877 10.408 12.045 1.00 0.00 N ATOM 769 CA GLU A 50 -3.572 11.607 11.594 1.00 0.00 C ATOM 770 C GLU A 50 -2.761 12.859 11.347 1.00 0.00 C ATOM 771 O GLU A 50 -2.058 13.366 12.223 1.00 0.00 O ATOM 772 CB GLU A 50 -4.649 11.987 12.608 1.00 0.00 C ATOM 773 CG GLU A 50 -5.393 13.262 12.237 1.00 0.00 C ATOM 774 CD GLU A 50 -6.487 13.630 13.200 1.00 0.00 C ATOM 775 OE1 GLU A 50 -6.859 12.800 13.995 1.00 0.00 O ATOM 776 OE2 GLU A 50 -6.958 14.741 13.141 1.00 0.00 O ATOM 0 H GLU A 50 -3.314 9.969 12.855 1.00 0.00 H new ATOM 0 HA GLU A 50 -3.944 11.300 10.616 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -5.363 11.168 12.695 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.189 12.114 13.588 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -4.680 14.084 12.181 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -5.822 13.144 11.242 1.00 0.00 H new ATOM 783 N GLY A 51 -2.901 13.359 10.121 1.00 0.00 N ATOM 784 CA GLY A 51 -2.255 14.588 9.696 1.00 0.00 C ATOM 785 C GLY A 51 -0.853 14.405 9.132 1.00 0.00 C ATOM 786 O GLY A 51 -0.293 15.354 8.581 1.00 0.00 O ATOM 0 H GLY A 51 -3.468 12.918 9.397 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.877 15.067 8.940 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.205 15.269 10.546 1.00 0.00 H new ATOM 790 N GLU A 52 -0.270 13.215 9.256 1.00 0.00 N ATOM 791 CA GLU A 52 1.081 13.039 8.752 1.00 0.00 C ATOM 792 C GLU A 52 1.082 12.577 7.305 1.00 0.00 C ATOM 793 O GLU A 52 0.147 11.930 6.834 1.00 0.00 O ATOM 794 CB GLU A 52 1.841 12.056 9.637 1.00 0.00 C ATOM 795 CG GLU A 52 2.054 12.559 11.058 1.00 0.00 C ATOM 796 CD GLU A 52 2.879 11.641 11.918 1.00 0.00 C ATOM 797 OE1 GLU A 52 3.325 10.631 11.429 1.00 0.00 O ATOM 798 OE2 GLU A 52 3.077 11.960 13.067 1.00 0.00 O ATOM 0 H GLU A 52 -0.694 12.392 9.683 1.00 0.00 H new ATOM 0 HA GLU A 52 1.585 14.005 8.782 1.00 0.00 H new ATOM 0 HB2 GLU A 52 1.295 11.113 9.672 1.00 0.00 H new ATOM 0 HB3 GLU A 52 2.810 11.847 9.185 1.00 0.00 H new ATOM 0 HG2 GLU A 52 2.539 13.534 11.018 1.00 0.00 H new ATOM 0 HG3 GLU A 52 1.082 12.705 11.530 1.00 0.00 H new ATOM 805 N LYS A 53 2.118 12.953 6.566 1.00 0.00 N ATOM 806 CA LYS A 53 2.173 12.526 5.178 1.00 0.00 C ATOM 807 C LYS A 53 3.147 11.372 5.026 1.00 0.00 C ATOM 808 O LYS A 53 4.269 11.420 5.534 1.00 0.00 O ATOM 809 CB LYS A 53 2.552 13.669 4.243 1.00 0.00 C ATOM 810 CG LYS A 53 2.505 13.236 2.785 1.00 0.00 C ATOM 811 CD LYS A 53 2.778 14.371 1.811 1.00 0.00 C ATOM 812 CE LYS A 53 2.633 13.836 0.397 1.00 0.00 C ATOM 813 NZ LYS A 53 2.822 14.863 -0.666 1.00 0.00 N ATOM 0 H LYS A 53 2.898 13.527 6.887 1.00 0.00 H new ATOM 0 HA LYS A 53 1.174 12.194 4.895 1.00 0.00 H new ATOM 0 HB2 LYS A 53 1.872 14.507 4.397 1.00 0.00 H new ATOM 0 HB3 LYS A 53 3.554 14.023 4.486 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.237 12.445 2.624 1.00 0.00 H new ATOM 0 HG3 LYS A 53 1.524 12.811 2.571 1.00 0.00 H new ATOM 0 HD2 LYS A 53 2.080 15.191 1.979 1.00 0.00 H new ATOM 0 HD3 LYS A 53 3.781 14.769 1.965 1.00 0.00 H new ATOM 0 HE2 LYS A 53 3.358 13.036 0.247 1.00 0.00 H new ATOM 0 HE3 LYS A 53 1.643 13.394 0.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 2.625 14.441 -1.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 2.171 15.657 -0.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 3.803 15.209 -0.644 1.00 0.00 H new ATOM 827 N PHE A 54 2.704 10.337 4.324 1.00 0.00 N ATOM 828 CA PHE A 54 3.520 9.156 4.121 1.00 0.00 C ATOM 829 C PHE A 54 3.537 8.849 2.628 1.00 0.00 C ATOM 830 O PHE A 54 2.684 9.339 1.890 1.00 0.00 O ATOM 831 CB PHE A 54 2.852 7.971 4.806 1.00 0.00 C ATOM 832 CG PHE A 54 2.534 8.167 6.255 1.00 0.00 C ATOM 833 CD1 PHE A 54 3.488 8.019 7.242 1.00 0.00 C ATOM 834 CD2 PHE A 54 1.244 8.524 6.619 1.00 0.00 C ATOM 835 CE1 PHE A 54 3.164 8.212 8.568 1.00 0.00 C ATOM 836 CE2 PHE A 54 0.916 8.716 7.945 1.00 0.00 C ATOM 837 CZ PHE A 54 1.878 8.557 8.919 1.00 0.00 C ATOM 0 H PHE A 54 1.783 10.295 3.887 1.00 0.00 H new ATOM 0 HA PHE A 54 4.522 9.323 4.515 1.00 0.00 H new ATOM 0 HB2 PHE A 54 1.928 7.739 4.276 1.00 0.00 H new ATOM 0 HB3 PHE A 54 3.502 7.102 4.708 1.00 0.00 H new ATOM 0 HD1 PHE A 54 4.498 7.749 6.973 1.00 0.00 H new ATOM 0 HD2 PHE A 54 0.489 8.653 5.857 1.00 0.00 H new ATOM 0 HE1 PHE A 54 3.919 8.093 9.331 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -0.092 8.990 8.219 1.00 0.00 H new ATOM 0 HZ PHE A 54 1.623 8.703 9.958 1.00 0.00 H new ATOM 847 N GLN A 55 4.516 8.090 2.148 1.00 0.00 N ATOM 848 CA GLN A 55 4.475 7.724 0.733 1.00 0.00 C ATOM 849 C GLN A 55 4.673 6.230 0.526 1.00 0.00 C ATOM 850 O GLN A 55 5.451 5.607 1.238 1.00 0.00 O ATOM 851 CB GLN A 55 5.536 8.480 -0.070 1.00 0.00 C ATOM 852 CG GLN A 55 5.351 9.982 -0.124 1.00 0.00 C ATOM 853 CD GLN A 55 6.404 10.664 -0.976 1.00 0.00 C ATOM 854 OE1 GLN A 55 7.608 10.538 -0.732 1.00 0.00 O ATOM 855 NE2 GLN A 55 5.952 11.392 -1.992 1.00 0.00 N ATOM 0 H GLN A 55 5.308 7.731 2.681 1.00 0.00 H new ATOM 0 HA GLN A 55 3.483 8.001 0.375 1.00 0.00 H new ATOM 0 HB2 GLN A 55 6.515 8.265 0.358 1.00 0.00 H new ATOM 0 HB3 GLN A 55 5.542 8.093 -1.089 1.00 0.00 H new ATOM 0 HG2 GLN A 55 4.362 10.209 -0.522 1.00 0.00 H new ATOM 0 HG3 GLN A 55 5.388 10.387 0.887 1.00 0.00 H new ATOM 0 HE21 GLN A 55 4.948 11.469 -2.157 1.00 0.00 H new ATOM 0 HE22 GLN A 55 6.609 11.874 -2.606 1.00 0.00 H new ATOM 864 N LEU A 56 3.992 5.661 -0.464 1.00 0.00 N ATOM 865 CA LEU A 56 4.135 4.249 -0.804 1.00 0.00 C ATOM 866 C LEU A 56 4.754 4.007 -2.169 1.00 0.00 C ATOM 867 O LEU A 56 4.515 4.725 -3.137 1.00 0.00 O ATOM 868 CB LEU A 56 2.778 3.529 -0.790 1.00 0.00 C ATOM 869 CG LEU A 56 2.018 3.388 0.526 1.00 0.00 C ATOM 870 CD1 LEU A 56 0.625 2.843 0.246 1.00 0.00 C ATOM 871 CD2 LEU A 56 2.772 2.386 1.387 1.00 0.00 C ATOM 0 H LEU A 56 3.327 6.164 -1.052 1.00 0.00 H new ATOM 0 HA LEU A 56 4.803 3.854 -0.039 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.125 4.049 -1.491 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.936 2.526 -1.186 1.00 0.00 H new ATOM 0 HG LEU A 56 1.936 4.353 1.027 1.00 0.00 H new ATOM 0 HD11 LEU A 56 0.079 2.741 1.184 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.091 3.529 -0.412 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.706 1.868 -0.235 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.254 2.261 2.338 1.00 0.00 H new ATOM 0 HD22 LEU A 56 2.820 1.427 0.871 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.783 2.751 1.569 1.00 0.00 H new ATOM 883 N LEU A 57 5.571 2.971 -2.247 1.00 0.00 N ATOM 884 CA LEU A 57 6.159 2.572 -3.505 1.00 0.00 C ATOM 885 C LEU A 57 5.481 1.313 -3.966 1.00 0.00 C ATOM 886 O LEU A 57 5.201 0.434 -3.157 1.00 0.00 O ATOM 887 CB LEU A 57 7.661 2.332 -3.369 1.00 0.00 C ATOM 888 CG LEU A 57 8.462 3.554 -2.939 1.00 0.00 C ATOM 889 CD1 LEU A 57 9.920 3.164 -2.746 1.00 0.00 C ATOM 890 CD2 LEU A 57 8.304 4.625 -4.012 1.00 0.00 C ATOM 0 H LEU A 57 5.840 2.393 -1.451 1.00 0.00 H new ATOM 0 HA LEU A 57 6.020 3.372 -4.232 1.00 0.00 H new ATOM 0 HB2 LEU A 57 7.824 1.534 -2.645 1.00 0.00 H new ATOM 0 HB3 LEU A 57 8.047 1.979 -4.325 1.00 0.00 H new ATOM 0 HG LEU A 57 8.099 3.947 -1.989 1.00 0.00 H new ATOM 0 HD11 LEU A 57 10.493 4.039 -2.438 1.00 0.00 H new ATOM 0 HD12 LEU A 57 9.992 2.394 -1.978 1.00 0.00 H new ATOM 0 HD13 LEU A 57 10.321 2.779 -3.684 1.00 0.00 H new ATOM 0 HD21 LEU A 57 8.870 5.512 -3.727 1.00 0.00 H new ATOM 0 HD22 LEU A 57 8.679 4.246 -4.963 1.00 0.00 H new ATOM 0 HD23 LEU A 57 7.250 4.884 -4.115 1.00 0.00 H new ATOM 902 N PHE A 58 5.196 1.261 -5.259 1.00 0.00 N ATOM 903 CA PHE A 58 4.624 0.099 -5.930 1.00 0.00 C ATOM 904 C PHE A 58 5.491 -0.374 -7.078 1.00 0.00 C ATOM 905 O PHE A 58 5.441 0.222 -8.150 1.00 0.00 O ATOM 906 CB PHE A 58 3.190 0.363 -6.389 1.00 0.00 C ATOM 907 CG PHE A 58 2.200 0.485 -5.274 1.00 0.00 C ATOM 908 CD1 PHE A 58 2.053 1.619 -4.492 1.00 0.00 C ATOM 909 CD2 PHE A 58 1.379 -0.601 -5.031 1.00 0.00 C ATOM 910 CE1 PHE A 58 1.116 1.642 -3.475 1.00 0.00 C ATOM 911 CE2 PHE A 58 0.443 -0.575 -4.024 1.00 0.00 C ATOM 912 CZ PHE A 58 0.315 0.547 -3.237 1.00 0.00 C ATOM 0 H PHE A 58 5.360 2.046 -5.889 1.00 0.00 H new ATOM 0 HA PHE A 58 4.591 -0.707 -5.196 1.00 0.00 H new ATOM 0 HB2 PHE A 58 3.172 1.280 -6.977 1.00 0.00 H new ATOM 0 HB3 PHE A 58 2.878 -0.446 -7.050 1.00 0.00 H new ATOM 0 HD1 PHE A 58 2.670 2.486 -4.677 1.00 0.00 H new ATOM 0 HD2 PHE A 58 1.475 -1.486 -5.643 1.00 0.00 H new ATOM 0 HE1 PHE A 58 1.012 2.525 -2.863 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -0.190 -1.433 -3.851 1.00 0.00 H new ATOM 0 HZ PHE A 58 -0.410 0.569 -2.437 1.00 0.00 H new ATOM 922 N LYS A 59 6.326 -1.388 -6.847 1.00 0.00 N ATOM 923 CA LYS A 59 7.171 -1.895 -7.926 1.00 0.00 C ATOM 924 C LYS A 59 6.467 -3.024 -8.650 1.00 0.00 C ATOM 925 O LYS A 59 6.019 -3.991 -8.034 1.00 0.00 O ATOM 926 CB LYS A 59 8.527 -2.380 -7.438 1.00 0.00 C ATOM 927 CG LYS A 59 9.450 -2.785 -8.579 1.00 0.00 C ATOM 928 CD LYS A 59 10.821 -3.196 -8.070 1.00 0.00 C ATOM 929 CE LYS A 59 11.727 -3.613 -9.219 1.00 0.00 C ATOM 930 NZ LYS A 59 13.075 -4.022 -8.738 1.00 0.00 N ATOM 0 H LYS A 59 6.434 -1.862 -5.950 1.00 0.00 H new ATOM 0 HA LYS A 59 7.347 -1.059 -8.603 1.00 0.00 H new ATOM 0 HB2 LYS A 59 9.002 -1.592 -6.854 1.00 0.00 H new ATOM 0 HB3 LYS A 59 8.386 -3.230 -6.771 1.00 0.00 H new ATOM 0 HG2 LYS A 59 9.004 -3.611 -9.133 1.00 0.00 H new ATOM 0 HG3 LYS A 59 9.554 -1.954 -9.276 1.00 0.00 H new ATOM 0 HD2 LYS A 59 11.275 -2.367 -7.527 1.00 0.00 H new ATOM 0 HD3 LYS A 59 10.719 -4.021 -7.365 1.00 0.00 H new ATOM 0 HE2 LYS A 59 11.269 -4.439 -9.762 1.00 0.00 H new ATOM 0 HE3 LYS A 59 11.827 -2.786 -9.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 13.664 -4.299 -9.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 13.523 -3.225 -8.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 12.982 -4.827 -8.087 1.00 0.00 H new ATOM 944 N PHE A 60 6.390 -2.937 -9.970 1.00 0.00 N ATOM 945 CA PHE A 60 5.651 -3.970 -10.665 1.00 0.00 C ATOM 946 C PHE A 60 6.532 -4.968 -11.396 1.00 0.00 C ATOM 947 O PHE A 60 7.581 -4.633 -11.947 1.00 0.00 O ATOM 948 CB PHE A 60 4.736 -3.293 -11.671 1.00 0.00 C ATOM 949 CG PHE A 60 3.796 -2.378 -10.954 1.00 0.00 C ATOM 950 CD1 PHE A 60 2.756 -2.859 -10.188 1.00 0.00 C ATOM 951 CD2 PHE A 60 3.995 -1.010 -11.023 1.00 0.00 C ATOM 952 CE1 PHE A 60 1.914 -1.996 -9.517 1.00 0.00 C ATOM 953 CE2 PHE A 60 3.159 -0.147 -10.357 1.00 0.00 C ATOM 954 CZ PHE A 60 2.115 -0.637 -9.607 1.00 0.00 C ATOM 0 H PHE A 60 6.804 -2.207 -10.550 1.00 0.00 H new ATOM 0 HA PHE A 60 5.099 -4.537 -9.915 1.00 0.00 H new ATOM 0 HB2 PHE A 60 5.326 -2.731 -12.395 1.00 0.00 H new ATOM 0 HB3 PHE A 60 4.175 -4.042 -12.230 1.00 0.00 H new ATOM 0 HD1 PHE A 60 2.598 -3.925 -10.112 1.00 0.00 H new ATOM 0 HD2 PHE A 60 4.815 -0.617 -11.606 1.00 0.00 H new ATOM 0 HE1 PHE A 60 1.100 -2.385 -8.923 1.00 0.00 H new ATOM 0 HE2 PHE A 60 3.322 0.919 -10.422 1.00 0.00 H new ATOM 0 HZ PHE A 60 1.454 0.043 -9.090 1.00 0.00 H new ATOM 964 N SER A 61 6.060 -6.207 -11.371 1.00 0.00 N ATOM 965 CA SER A 61 6.657 -7.359 -12.026 1.00 0.00 C ATOM 966 C SER A 61 6.346 -7.371 -13.500 1.00 0.00 C ATOM 967 O SER A 61 5.284 -6.918 -13.914 1.00 0.00 O ATOM 968 CB SER A 61 6.157 -8.658 -11.430 1.00 0.00 C ATOM 969 OG SER A 61 6.616 -9.760 -12.173 1.00 0.00 O ATOM 0 H SER A 61 5.206 -6.446 -10.867 1.00 0.00 H new ATOM 0 HA SER A 61 7.733 -7.276 -11.874 1.00 0.00 H new ATOM 0 HB2 SER A 61 6.496 -8.744 -10.398 1.00 0.00 H new ATOM 0 HB3 SER A 61 5.067 -8.657 -11.408 1.00 0.00 H new ATOM 0 HG SER A 61 6.335 -10.590 -11.735 1.00 0.00 H new ATOM 975 N SER A 62 7.241 -7.936 -14.302 1.00 0.00 N ATOM 976 CA SER A 62 6.994 -8.043 -15.739 1.00 0.00 C ATOM 977 C SER A 62 5.796 -8.956 -16.042 1.00 0.00 C ATOM 978 O SER A 62 5.232 -8.902 -17.136 1.00 0.00 O ATOM 979 CB SER A 62 8.227 -8.581 -16.435 1.00 0.00 C ATOM 980 OG SER A 62 8.463 -9.914 -16.074 1.00 0.00 O ATOM 0 H SER A 62 8.132 -8.322 -13.990 1.00 0.00 H new ATOM 0 HA SER A 62 6.762 -7.045 -16.111 1.00 0.00 H new ATOM 0 HB2 SER A 62 8.100 -8.510 -17.515 1.00 0.00 H new ATOM 0 HB3 SER A 62 9.092 -7.971 -16.175 1.00 0.00 H new ATOM 0 HG SER A 62 9.263 -10.241 -16.536 1.00 0.00 H new ATOM 986 N ARG A 63 5.424 -9.801 -15.074 1.00 0.00 N ATOM 987 CA ARG A 63 4.274 -10.690 -15.145 1.00 0.00 C ATOM 988 C ARG A 63 3.008 -10.133 -14.481 1.00 0.00 C ATOM 989 O ARG A 63 1.970 -10.792 -14.540 1.00 0.00 O ATOM 990 CB ARG A 63 4.612 -12.013 -14.481 1.00 0.00 C ATOM 991 CG ARG A 63 5.613 -12.913 -15.188 1.00 0.00 C ATOM 992 CD ARG A 63 5.684 -14.198 -14.452 1.00 0.00 C ATOM 993 NE ARG A 63 6.306 -13.978 -13.159 1.00 0.00 N ATOM 994 CZ ARG A 63 7.616 -14.111 -12.887 1.00 0.00 C ATOM 995 NH1 ARG A 63 8.469 -14.525 -13.797 1.00 0.00 N ATOM 996 NH2 ARG A 63 8.008 -13.805 -11.666 1.00 0.00 N ATOM 0 H ARG A 63 5.935 -9.882 -14.195 1.00 0.00 H new ATOM 0 HA ARG A 63 4.057 -10.809 -16.207 1.00 0.00 H new ATOM 0 HB2 ARG A 63 4.995 -11.801 -13.483 1.00 0.00 H new ATOM 0 HB3 ARG A 63 3.686 -12.573 -14.354 1.00 0.00 H new ATOM 0 HG2 ARG A 63 5.308 -13.083 -16.220 1.00 0.00 H new ATOM 0 HG3 ARG A 63 6.594 -12.439 -15.220 1.00 0.00 H new ATOM 0 HD2 ARG A 63 4.684 -14.611 -14.321 1.00 0.00 H new ATOM 0 HD3 ARG A 63 6.257 -14.927 -15.025 1.00 0.00 H new ATOM 0 HE ARG A 63 5.697 -13.698 -12.390 1.00 0.00 H new ATOM 0 HH11 ARG A 63 8.142 -14.754 -14.736 1.00 0.00 H new ATOM 0 HH12 ARG A 63 9.458 -14.617 -13.565 1.00 0.00 H new ATOM 0 HH21 ARG A 63 7.327 -13.484 -10.977 1.00 0.00 H new ATOM 0 HH22 ARG A 63 8.992 -13.889 -11.410 1.00 0.00 H new ATOM 1010 N TYR A 64 3.086 -8.948 -13.870 1.00 0.00 N ATOM 1011 CA TYR A 64 1.982 -8.293 -13.172 1.00 0.00 C ATOM 1012 C TYR A 64 0.748 -8.225 -14.079 1.00 0.00 C ATOM 1013 O TYR A 64 0.859 -7.879 -15.255 1.00 0.00 O ATOM 1014 CB TYR A 64 2.434 -6.901 -12.712 1.00 0.00 C ATOM 1015 CG TYR A 64 1.411 -6.106 -11.952 1.00 0.00 C ATOM 1016 CD1 TYR A 64 1.273 -6.312 -10.588 1.00 0.00 C ATOM 1017 CD2 TYR A 64 0.605 -5.195 -12.617 1.00 0.00 C ATOM 1018 CE1 TYR A 64 0.328 -5.601 -9.884 1.00 0.00 C ATOM 1019 CE2 TYR A 64 -0.339 -4.485 -11.905 1.00 0.00 C ATOM 1020 CZ TYR A 64 -0.473 -4.685 -10.547 1.00 0.00 C ATOM 1021 OH TYR A 64 -1.399 -3.969 -9.832 1.00 0.00 O ATOM 0 H TYR A 64 3.948 -8.403 -13.848 1.00 0.00 H new ATOM 0 HA TYR A 64 1.701 -8.870 -12.291 1.00 0.00 H new ATOM 0 HB2 TYR A 64 3.319 -7.014 -12.086 1.00 0.00 H new ATOM 0 HB3 TYR A 64 2.735 -6.328 -13.589 1.00 0.00 H new ATOM 0 HD1 TYR A 64 1.904 -7.027 -10.080 1.00 0.00 H new ATOM 0 HD2 TYR A 64 0.715 -5.043 -13.681 1.00 0.00 H new ATOM 0 HE1 TYR A 64 0.211 -5.756 -8.822 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -0.973 -3.772 -12.411 1.00 0.00 H new ATOM 0 HH TYR A 64 -1.894 -3.378 -10.437 1.00 0.00 H new ATOM 1031 N PRO A 65 -0.447 -8.521 -13.570 1.00 0.00 N ATOM 1032 CA PRO A 65 -0.838 -8.847 -12.213 1.00 0.00 C ATOM 1033 C PRO A 65 -0.797 -10.300 -11.760 1.00 0.00 C ATOM 1034 O PRO A 65 -1.540 -10.675 -10.855 1.00 0.00 O ATOM 1035 CB PRO A 65 -2.270 -8.312 -12.247 1.00 0.00 C ATOM 1036 CG PRO A 65 -2.737 -8.587 -13.649 1.00 0.00 C ATOM 1037 CD PRO A 65 -1.534 -8.336 -14.530 1.00 0.00 C ATOM 0 HA PRO A 65 -0.137 -8.431 -11.489 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -2.900 -8.814 -11.512 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -2.302 -7.247 -12.019 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -3.091 -9.613 -13.751 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -3.567 -7.935 -13.922 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -1.476 -9.040 -15.360 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -1.539 -7.335 -14.961 1.00 0.00 H new ATOM 1045 N PHE A 66 0.026 -11.126 -12.398 1.00 0.00 N ATOM 1046 CA PHE A 66 0.242 -12.501 -11.960 1.00 0.00 C ATOM 1047 C PHE A 66 0.887 -12.431 -10.581 1.00 0.00 C ATOM 1048 O PHE A 66 0.471 -13.107 -9.639 1.00 0.00 O ATOM 1049 CB PHE A 66 1.146 -13.243 -12.942 1.00 0.00 C ATOM 1050 CG PHE A 66 1.500 -14.652 -12.577 1.00 0.00 C ATOM 1051 CD1 PHE A 66 0.601 -15.692 -12.755 1.00 0.00 C ATOM 1052 CD2 PHE A 66 2.752 -14.936 -12.060 1.00 0.00 C ATOM 1053 CE1 PHE A 66 0.951 -16.987 -12.419 1.00 0.00 C ATOM 1054 CE2 PHE A 66 3.107 -16.226 -11.722 1.00 0.00 C ATOM 1055 CZ PHE A 66 2.202 -17.254 -11.902 1.00 0.00 C ATOM 0 H PHE A 66 0.559 -10.864 -13.227 1.00 0.00 H new ATOM 0 HA PHE A 66 -0.700 -13.047 -11.918 1.00 0.00 H new ATOM 0 HB2 PHE A 66 0.658 -13.253 -13.917 1.00 0.00 H new ATOM 0 HB3 PHE A 66 2.070 -12.675 -13.054 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -0.380 -15.489 -13.159 1.00 0.00 H new ATOM 0 HD2 PHE A 66 3.463 -14.135 -11.919 1.00 0.00 H new ATOM 0 HE1 PHE A 66 0.244 -17.791 -12.562 1.00 0.00 H new ATOM 0 HE2 PHE A 66 4.088 -16.431 -11.319 1.00 0.00 H new ATOM 0 HZ PHE A 66 2.473 -18.266 -11.638 1.00 0.00 H new ATOM 1065 N ASP A 67 1.939 -11.622 -10.503 1.00 0.00 N ATOM 1066 CA ASP A 67 2.682 -11.356 -9.283 1.00 0.00 C ATOM 1067 C ASP A 67 2.146 -10.122 -8.569 1.00 0.00 C ATOM 1068 O ASP A 67 1.569 -9.240 -9.203 1.00 0.00 O ATOM 1069 CB ASP A 67 4.155 -11.128 -9.602 1.00 0.00 C ATOM 1070 CG ASP A 67 4.895 -12.357 -10.096 1.00 0.00 C ATOM 1071 OD1 ASP A 67 4.600 -13.443 -9.660 1.00 0.00 O ATOM 1072 OD2 ASP A 67 5.756 -12.198 -10.931 1.00 0.00 O ATOM 0 H ASP A 67 2.306 -11.121 -11.312 1.00 0.00 H new ATOM 0 HA ASP A 67 2.567 -12.224 -8.634 1.00 0.00 H new ATOM 0 HB2 ASP A 67 4.232 -10.346 -10.358 1.00 0.00 H new ATOM 0 HB3 ASP A 67 4.653 -10.756 -8.707 1.00 0.00 H new ATOM 1077 N SER A 68 2.326 -10.081 -7.253 1.00 0.00 N ATOM 1078 CA SER A 68 1.924 -8.932 -6.452 1.00 0.00 C ATOM 1079 C SER A 68 2.949 -7.822 -6.632 1.00 0.00 C ATOM 1080 O SER A 68 4.087 -8.113 -7.004 1.00 0.00 O ATOM 1081 CB SER A 68 1.848 -9.327 -4.991 1.00 0.00 C ATOM 1082 OG SER A 68 3.125 -9.607 -4.488 1.00 0.00 O ATOM 0 H SER A 68 2.751 -10.837 -6.716 1.00 0.00 H new ATOM 0 HA SER A 68 0.943 -8.583 -6.775 1.00 0.00 H new ATOM 0 HB2 SER A 68 1.393 -8.522 -4.414 1.00 0.00 H new ATOM 0 HB3 SER A 68 1.207 -10.201 -4.878 1.00 0.00 H new ATOM 0 HG SER A 68 3.044 -10.097 -3.643 1.00 0.00 H new ATOM 1088 N PRO A 69 2.601 -6.558 -6.385 1.00 0.00 N ATOM 1089 CA PRO A 69 3.527 -5.458 -6.458 1.00 0.00 C ATOM 1090 C PRO A 69 4.398 -5.432 -5.210 1.00 0.00 C ATOM 1091 O PRO A 69 3.959 -5.882 -4.151 1.00 0.00 O ATOM 1092 CB PRO A 69 2.563 -4.271 -6.562 1.00 0.00 C ATOM 1093 CG PRO A 69 1.325 -4.726 -5.830 1.00 0.00 C ATOM 1094 CD PRO A 69 1.205 -6.217 -6.089 1.00 0.00 C ATOM 0 HA PRO A 69 4.243 -5.486 -7.279 1.00 0.00 H new ATOM 0 HB2 PRO A 69 2.986 -3.375 -6.108 1.00 0.00 H new ATOM 0 HB3 PRO A 69 2.343 -4.028 -7.602 1.00 0.00 H new ATOM 0 HG2 PRO A 69 1.407 -4.521 -4.762 1.00 0.00 H new ATOM 0 HG3 PRO A 69 0.443 -4.196 -6.190 1.00 0.00 H new ATOM 0 HD2 PRO A 69 0.822 -6.757 -5.223 1.00 0.00 H new ATOM 0 HD3 PRO A 69 0.540 -6.439 -6.923 1.00 0.00 H new ATOM 1102 N GLN A 70 5.624 -4.933 -5.314 1.00 0.00 N ATOM 1103 CA GLN A 70 6.433 -4.828 -4.107 1.00 0.00 C ATOM 1104 C GLN A 70 5.969 -3.548 -3.458 1.00 0.00 C ATOM 1105 O GLN A 70 6.076 -2.484 -4.069 1.00 0.00 O ATOM 1106 CB GLN A 70 7.936 -4.798 -4.361 1.00 0.00 C ATOM 1107 CG GLN A 70 8.744 -4.654 -3.083 1.00 0.00 C ATOM 1108 CD GLN A 70 8.628 -5.864 -2.176 1.00 0.00 C ATOM 1109 OE1 GLN A 70 8.935 -6.992 -2.573 1.00 0.00 O ATOM 1110 NE2 GLN A 70 8.178 -5.636 -0.947 1.00 0.00 N ATOM 0 H GLN A 70 6.063 -4.609 -6.176 1.00 0.00 H new ATOM 0 HA GLN A 70 6.297 -5.710 -3.481 1.00 0.00 H new ATOM 0 HB2 GLN A 70 8.232 -5.714 -4.872 1.00 0.00 H new ATOM 0 HB3 GLN A 70 8.171 -3.970 -5.030 1.00 0.00 H new ATOM 0 HG2 GLN A 70 9.792 -4.495 -3.337 1.00 0.00 H new ATOM 0 HG3 GLN A 70 8.409 -3.768 -2.544 1.00 0.00 H new ATOM 0 HE21 GLN A 70 7.936 -4.688 -0.660 1.00 0.00 H new ATOM 0 HE22 GLN A 70 8.075 -6.409 -0.290 1.00 0.00 H new ATOM 1119 N VAL A 71 5.452 -3.631 -2.233 1.00 0.00 N ATOM 1120 CA VAL A 71 4.912 -2.410 -1.663 1.00 0.00 C ATOM 1121 C VAL A 71 5.589 -2.008 -0.362 1.00 0.00 C ATOM 1122 O VAL A 71 5.786 -2.843 0.527 1.00 0.00 O ATOM 1123 CB VAL A 71 3.400 -2.542 -1.422 1.00 0.00 C ATOM 1124 CG1 VAL A 71 2.858 -1.234 -0.871 1.00 0.00 C ATOM 1125 CG2 VAL A 71 2.722 -2.928 -2.714 1.00 0.00 C ATOM 0 H VAL A 71 5.398 -4.469 -1.654 1.00 0.00 H new ATOM 0 HA VAL A 71 5.109 -1.627 -2.395 1.00 0.00 H new ATOM 0 HB VAL A 71 3.199 -3.322 -0.688 1.00 0.00 H new ATOM 0 HG11 VAL A 71 1.786 -1.328 -0.700 1.00 0.00 H new ATOM 0 HG12 VAL A 71 3.356 -1.001 0.070 1.00 0.00 H new ATOM 0 HG13 VAL A 71 3.043 -0.433 -1.587 1.00 0.00 H new ATOM 0 HG21 VAL A 71 1.649 -3.023 -2.548 1.00 0.00 H new ATOM 0 HG22 VAL A 71 2.906 -2.160 -3.465 1.00 0.00 H new ATOM 0 HG23 VAL A 71 3.120 -3.880 -3.064 1.00 0.00 H new ATOM 1135 N MET A 72 5.961 -0.731 -0.292 1.00 0.00 N ATOM 1136 CA MET A 72 6.610 -0.222 0.909 1.00 0.00 C ATOM 1137 C MET A 72 6.504 1.278 1.145 1.00 0.00 C ATOM 1138 O MET A 72 6.308 2.065 0.229 1.00 0.00 O ATOM 1139 CB MET A 72 8.092 -0.567 0.846 1.00 0.00 C ATOM 1140 CG MET A 72 8.812 0.114 -0.305 1.00 0.00 C ATOM 1141 SD MET A 72 10.570 -0.271 -0.353 1.00 0.00 S ATOM 1142 CE MET A 72 11.111 0.699 1.051 1.00 0.00 C ATOM 0 H MET A 72 5.827 -0.046 -1.035 1.00 0.00 H new ATOM 0 HA MET A 72 6.079 -0.697 1.734 1.00 0.00 H new ATOM 0 HB2 MET A 72 8.566 -0.280 1.785 1.00 0.00 H new ATOM 0 HB3 MET A 72 8.204 -1.647 0.749 1.00 0.00 H new ATOM 0 HG2 MET A 72 8.352 -0.189 -1.246 1.00 0.00 H new ATOM 0 HG3 MET A 72 8.683 1.193 -0.221 1.00 0.00 H new ATOM 0 HE1 MET A 72 12.194 0.818 1.015 1.00 0.00 H new ATOM 0 HE2 MET A 72 10.636 1.680 1.020 1.00 0.00 H new ATOM 0 HE3 MET A 72 10.833 0.190 1.974 1.00 0.00 H new ATOM 1152 N PHE A 73 6.656 1.691 2.395 1.00 0.00 N ATOM 1153 CA PHE A 73 6.688 3.104 2.723 1.00 0.00 C ATOM 1154 C PHE A 73 8.062 3.681 2.426 1.00 0.00 C ATOM 1155 O PHE A 73 9.080 3.001 2.555 1.00 0.00 O ATOM 1156 CB PHE A 73 6.255 3.476 4.149 1.00 0.00 C ATOM 1157 CG PHE A 73 4.783 3.436 4.443 1.00 0.00 C ATOM 1158 CD1 PHE A 73 3.966 4.480 4.037 1.00 0.00 C ATOM 1159 CD2 PHE A 73 4.201 2.384 5.124 1.00 0.00 C ATOM 1160 CE1 PHE A 73 2.609 4.475 4.297 1.00 0.00 C ATOM 1161 CE2 PHE A 73 2.841 2.376 5.389 1.00 0.00 C ATOM 1162 CZ PHE A 73 2.044 3.418 4.975 1.00 0.00 C ATOM 0 H PHE A 73 6.759 1.067 3.195 1.00 0.00 H new ATOM 0 HA PHE A 73 5.928 3.550 2.081 1.00 0.00 H new ATOM 0 HB2 PHE A 73 6.758 2.803 4.843 1.00 0.00 H new ATOM 0 HB3 PHE A 73 6.617 4.482 4.362 1.00 0.00 H new ATOM 0 HD1 PHE A 73 4.399 5.315 3.506 1.00 0.00 H new ATOM 0 HD2 PHE A 73 4.814 1.558 5.454 1.00 0.00 H new ATOM 0 HE1 PHE A 73 1.992 5.299 3.969 1.00 0.00 H new ATOM 0 HE2 PHE A 73 2.404 1.546 5.924 1.00 0.00 H new ATOM 0 HZ PHE A 73 0.984 3.407 5.180 1.00 0.00 H new ATOM 1172 N THR A 74 8.075 4.944 2.025 1.00 0.00 N ATOM 1173 CA THR A 74 9.303 5.648 1.699 1.00 0.00 C ATOM 1174 C THR A 74 9.224 7.103 2.126 1.00 0.00 C ATOM 1175 O THR A 74 8.147 7.696 2.190 1.00 0.00 O ATOM 1176 CB THR A 74 9.590 5.586 0.188 1.00 0.00 C ATOM 1177 OG1 THR A 74 10.871 6.167 -0.096 1.00 0.00 O ATOM 1178 CG2 THR A 74 8.522 6.360 -0.569 1.00 0.00 C ATOM 0 H THR A 74 7.232 5.509 1.917 1.00 0.00 H new ATOM 0 HA THR A 74 10.111 5.156 2.240 1.00 0.00 H new ATOM 0 HB THR A 74 9.586 4.542 -0.125 1.00 0.00 H new ATOM 0 HG1 THR A 74 11.045 6.121 -1.059 1.00 0.00 H new ATOM 0 HG21 THR A 74 8.728 6.314 -1.638 1.00 0.00 H new ATOM 0 HG22 THR A 74 7.544 5.922 -0.369 1.00 0.00 H new ATOM 0 HG23 THR A 74 8.527 7.400 -0.243 1.00 0.00 H new ATOM 1186 N GLY A 75 10.389 7.664 2.424 1.00 0.00 N ATOM 1187 CA GLY A 75 10.490 9.045 2.864 1.00 0.00 C ATOM 1188 C GLY A 75 11.108 9.110 4.251 1.00 0.00 C ATOM 1189 O GLY A 75 11.681 8.134 4.736 1.00 0.00 O ATOM 0 H GLY A 75 11.283 7.177 2.367 1.00 0.00 H new ATOM 0 HA2 GLY A 75 11.097 9.615 2.160 1.00 0.00 H new ATOM 0 HA3 GLY A 75 9.501 9.504 2.877 1.00 0.00 H new ATOM 1193 N GLU A 76 10.986 10.273 4.881 1.00 0.00 N ATOM 1194 CA GLU A 76 11.524 10.509 6.215 1.00 0.00 C ATOM 1195 C GLU A 76 10.580 10.068 7.333 1.00 0.00 C ATOM 1196 O GLU A 76 10.956 10.095 8.505 1.00 0.00 O ATOM 1197 CB GLU A 76 11.850 11.994 6.387 1.00 0.00 C ATOM 1198 CG GLU A 76 12.968 12.498 5.485 1.00 0.00 C ATOM 1199 CD GLU A 76 13.244 13.965 5.660 1.00 0.00 C ATOM 1200 OE1 GLU A 76 12.542 14.597 6.412 1.00 0.00 O ATOM 1201 OE2 GLU A 76 14.158 14.456 5.040 1.00 0.00 O ATOM 0 H GLU A 76 10.510 11.081 4.480 1.00 0.00 H new ATOM 0 HA GLU A 76 12.426 9.903 6.298 1.00 0.00 H new ATOM 0 HB2 GLU A 76 10.950 12.577 6.191 1.00 0.00 H new ATOM 0 HB3 GLU A 76 12.127 12.175 7.425 1.00 0.00 H new ATOM 0 HG2 GLU A 76 13.878 11.935 5.693 1.00 0.00 H new ATOM 0 HG3 GLU A 76 12.704 12.305 4.445 1.00 0.00 H new ATOM 1208 N ASN A 77 9.360 9.671 6.981 1.00 0.00 N ATOM 1209 CA ASN A 77 8.388 9.250 7.975 1.00 0.00 C ATOM 1210 C ASN A 77 7.780 7.895 7.648 1.00 0.00 C ATOM 1211 O ASN A 77 6.887 7.785 6.809 1.00 0.00 O ATOM 1212 CB ASN A 77 7.299 10.296 8.108 1.00 0.00 C ATOM 1213 CG ASN A 77 6.311 9.979 9.194 1.00 0.00 C ATOM 1214 OD1 ASN A 77 6.346 8.897 9.792 1.00 0.00 O ATOM 1215 ND2 ASN A 77 5.429 10.907 9.459 1.00 0.00 N ATOM 0 H ASN A 77 9.026 9.633 6.018 1.00 0.00 H new ATOM 0 HA ASN A 77 8.913 9.146 8.924 1.00 0.00 H new ATOM 0 HB2 ASN A 77 7.756 11.265 8.311 1.00 0.00 H new ATOM 0 HB3 ASN A 77 6.771 10.386 7.159 1.00 0.00 H new ATOM 0 HD21 ASN A 77 4.730 10.754 10.186 1.00 0.00 H new ATOM 0 HD22 ASN A 77 5.440 11.784 8.939 1.00 0.00 H new ATOM 1222 N ILE A 78 8.292 6.860 8.304 1.00 0.00 N ATOM 1223 CA ILE A 78 7.765 5.514 8.149 1.00 0.00 C ATOM 1224 C ILE A 78 6.862 5.286 9.360 1.00 0.00 C ATOM 1225 O ILE A 78 7.345 5.421 10.485 1.00 0.00 O ATOM 1226 CB ILE A 78 8.879 4.447 8.102 1.00 0.00 C ATOM 1227 CG1 ILE A 78 9.892 4.792 7.005 1.00 0.00 C ATOM 1228 CG2 ILE A 78 8.271 3.071 7.860 1.00 0.00 C ATOM 1229 CD1 ILE A 78 9.296 4.893 5.625 1.00 0.00 C ATOM 0 H ILE A 78 9.077 6.931 8.952 1.00 0.00 H new ATOM 0 HA ILE A 78 7.229 5.421 7.205 1.00 0.00 H new ATOM 0 HB ILE A 78 9.400 4.432 9.059 1.00 0.00 H new ATOM 0 HG12 ILE A 78 10.370 5.740 7.252 1.00 0.00 H new ATOM 0 HG13 ILE A 78 10.674 4.033 6.996 1.00 0.00 H new ATOM 0 HG21 ILE A 78 9.064 2.323 7.828 1.00 0.00 H new ATOM 0 HG22 ILE A 78 7.579 2.832 8.667 1.00 0.00 H new ATOM 0 HG23 ILE A 78 7.735 3.072 6.911 1.00 0.00 H new ATOM 0 HD11 ILE A 78 10.079 5.140 4.908 1.00 0.00 H new ATOM 0 HD12 ILE A 78 8.843 3.939 5.354 1.00 0.00 H new ATOM 0 HD13 ILE A 78 8.534 5.673 5.614 1.00 0.00 H new ATOM 1241 N PRO A 79 5.579 4.957 9.197 1.00 0.00 N ATOM 1242 CA PRO A 79 4.689 4.752 10.312 1.00 0.00 C ATOM 1243 C PRO A 79 4.999 3.470 11.063 1.00 0.00 C ATOM 1244 O PRO A 79 5.394 2.467 10.469 1.00 0.00 O ATOM 1245 CB PRO A 79 3.333 4.684 9.600 1.00 0.00 C ATOM 1246 CG PRO A 79 3.655 4.202 8.214 1.00 0.00 C ATOM 1247 CD PRO A 79 5.026 4.746 7.860 1.00 0.00 C ATOM 0 HA PRO A 79 4.754 5.523 11.080 1.00 0.00 H new ATOM 0 HB2 PRO A 79 2.652 4.001 10.109 1.00 0.00 H new ATOM 0 HB3 PRO A 79 2.848 5.660 9.577 1.00 0.00 H new ATOM 0 HG2 PRO A 79 3.651 3.113 8.174 1.00 0.00 H new ATOM 0 HG3 PRO A 79 2.907 4.550 7.502 1.00 0.00 H new ATOM 0 HD2 PRO A 79 5.614 4.040 7.274 1.00 0.00 H new ATOM 0 HD3 PRO A 79 4.970 5.669 7.283 1.00 0.00 H new ATOM 1255 N VAL A 80 4.807 3.512 12.375 1.00 0.00 N ATOM 1256 CA VAL A 80 5.031 2.344 13.210 1.00 0.00 C ATOM 1257 C VAL A 80 3.709 1.620 13.316 1.00 0.00 C ATOM 1258 O VAL A 80 2.728 2.205 13.772 1.00 0.00 O ATOM 1259 CB VAL A 80 5.557 2.727 14.603 1.00 0.00 C ATOM 1260 CG1 VAL A 80 5.716 1.474 15.452 1.00 0.00 C ATOM 1261 CG2 VAL A 80 6.886 3.451 14.453 1.00 0.00 C ATOM 0 H VAL A 80 4.497 4.342 12.881 1.00 0.00 H new ATOM 0 HA VAL A 80 5.794 1.707 12.764 1.00 0.00 H new ATOM 0 HB VAL A 80 4.849 3.390 15.100 1.00 0.00 H new ATOM 0 HG11 VAL A 80 6.089 1.748 16.439 1.00 0.00 H new ATOM 0 HG12 VAL A 80 4.750 0.978 15.554 1.00 0.00 H new ATOM 0 HG13 VAL A 80 6.423 0.797 14.972 1.00 0.00 H new ATOM 0 HG21 VAL A 80 7.264 3.725 15.438 1.00 0.00 H new ATOM 0 HG22 VAL A 80 7.603 2.796 13.958 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.744 4.351 13.855 1.00 0.00 H new ATOM 1271 N HIS A 81 3.698 0.358 12.918 1.00 0.00 N ATOM 1272 CA HIS A 81 2.479 -0.432 12.899 1.00 0.00 C ATOM 1273 C HIS A 81 2.826 -1.916 12.897 1.00 0.00 C ATOM 1274 O HIS A 81 3.813 -2.288 12.273 1.00 0.00 O ATOM 1275 CB HIS A 81 1.659 -0.079 11.651 1.00 0.00 C ATOM 1276 CG HIS A 81 0.299 -0.691 11.606 1.00 0.00 C ATOM 1277 ND1 HIS A 81 0.074 -1.993 11.206 1.00 0.00 N ATOM 1278 CD2 HIS A 81 -0.908 -0.177 11.928 1.00 0.00 C ATOM 1279 CE1 HIS A 81 -1.223 -2.245 11.280 1.00 0.00 C ATOM 1280 NE2 HIS A 81 -1.835 -1.162 11.715 1.00 0.00 N ATOM 0 H HIS A 81 4.528 -0.144 12.601 1.00 0.00 H new ATOM 0 HA HIS A 81 1.889 -0.210 13.788 1.00 0.00 H new ATOM 0 HB2 HIS A 81 1.557 1.005 11.594 1.00 0.00 H new ATOM 0 HB3 HIS A 81 2.214 -0.394 10.767 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -1.105 0.823 12.286 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -1.700 -3.180 11.027 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -2.839 -1.072 11.869 1.00 0.00 H new ATOM 1288 N PRO A 82 2.082 -2.799 13.568 1.00 0.00 N ATOM 1289 CA PRO A 82 2.347 -4.226 13.556 1.00 0.00 C ATOM 1290 C PRO A 82 2.527 -4.877 12.179 1.00 0.00 C ATOM 1291 O PRO A 82 3.248 -5.871 12.074 1.00 0.00 O ATOM 1292 CB PRO A 82 1.099 -4.729 14.292 1.00 0.00 C ATOM 1293 CG PRO A 82 0.754 -3.611 15.241 1.00 0.00 C ATOM 1294 CD PRO A 82 1.068 -2.327 14.520 1.00 0.00 C ATOM 0 HA PRO A 82 3.308 -4.478 14.004 1.00 0.00 H new ATOM 0 HB2 PRO A 82 0.282 -4.930 13.599 1.00 0.00 H new ATOM 0 HB3 PRO A 82 1.299 -5.658 14.826 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -0.298 -3.651 15.522 1.00 0.00 H new ATOM 0 HG3 PRO A 82 1.333 -3.691 16.161 1.00 0.00 H new ATOM 0 HD2 PRO A 82 0.195 -1.907 14.022 1.00 0.00 H new ATOM 0 HD3 PRO A 82 1.453 -1.558 15.190 1.00 0.00 H new ATOM 1302 N HIS A 83 1.892 -4.354 11.128 1.00 0.00 N ATOM 1303 CA HIS A 83 2.052 -4.947 9.806 1.00 0.00 C ATOM 1304 C HIS A 83 2.951 -4.112 8.881 1.00 0.00 C ATOM 1305 O HIS A 83 2.986 -4.341 7.670 1.00 0.00 O ATOM 1306 CB HIS A 83 0.664 -5.138 9.197 1.00 0.00 C ATOM 1307 CG HIS A 83 -0.143 -6.054 10.062 1.00 0.00 C ATOM 1308 ND1 HIS A 83 -0.817 -5.584 11.166 1.00 0.00 N ATOM 1309 CD2 HIS A 83 -0.384 -7.388 10.021 1.00 0.00 C ATOM 1310 CE1 HIS A 83 -1.436 -6.579 11.765 1.00 0.00 C ATOM 1311 NE2 HIS A 83 -1.192 -7.689 11.096 1.00 0.00 N ATOM 0 H HIS A 83 1.277 -3.541 11.166 1.00 0.00 H new ATOM 0 HA HIS A 83 2.556 -5.907 9.915 1.00 0.00 H new ATOM 0 HB2 HIS A 83 0.162 -4.175 9.102 1.00 0.00 H new ATOM 0 HB3 HIS A 83 0.751 -5.553 8.193 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -0.012 -8.084 9.284 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -2.042 -6.500 12.655 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -1.543 -8.616 11.335 1.00 0.00 H new ATOM 1319 N VAL A 84 3.675 -3.141 9.445 1.00 0.00 N ATOM 1320 CA VAL A 84 4.586 -2.291 8.682 1.00 0.00 C ATOM 1321 C VAL A 84 5.986 -2.323 9.299 1.00 0.00 C ATOM 1322 O VAL A 84 6.168 -2.036 10.481 1.00 0.00 O ATOM 1323 CB VAL A 84 4.084 -0.826 8.632 1.00 0.00 C ATOM 1324 CG1 VAL A 84 5.073 0.038 7.862 1.00 0.00 C ATOM 1325 CG2 VAL A 84 2.711 -0.762 7.973 1.00 0.00 C ATOM 0 H VAL A 84 3.645 -2.924 10.441 1.00 0.00 H new ATOM 0 HA VAL A 84 4.623 -2.681 7.665 1.00 0.00 H new ATOM 0 HB VAL A 84 4.002 -0.448 9.651 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.712 1.066 7.832 1.00 0.00 H new ATOM 0 HG12 VAL A 84 6.044 0.009 8.357 1.00 0.00 H new ATOM 0 HG13 VAL A 84 5.173 -0.341 6.845 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.369 0.273 7.944 1.00 0.00 H new ATOM 0 HG22 VAL A 84 2.777 -1.151 6.957 1.00 0.00 H new ATOM 0 HG23 VAL A 84 2.004 -1.362 8.546 1.00 0.00 H new ATOM 1335 N TYR A 85 6.993 -2.647 8.504 1.00 0.00 N ATOM 1336 CA TYR A 85 8.344 -2.677 9.041 1.00 0.00 C ATOM 1337 C TYR A 85 8.915 -1.274 9.067 1.00 0.00 C ATOM 1338 O TYR A 85 8.511 -0.420 8.282 1.00 0.00 O ATOM 1339 CB TYR A 85 9.223 -3.622 8.225 1.00 0.00 C ATOM 1340 CG TYR A 85 8.869 -5.073 8.476 1.00 0.00 C ATOM 1341 CD1 TYR A 85 7.917 -5.730 7.712 1.00 0.00 C ATOM 1342 CD2 TYR A 85 9.514 -5.748 9.501 1.00 0.00 C ATOM 1343 CE1 TYR A 85 7.610 -7.048 7.979 1.00 0.00 C ATOM 1344 CE2 TYR A 85 9.207 -7.066 9.768 1.00 0.00 C ATOM 1345 CZ TYR A 85 8.255 -7.715 9.012 1.00 0.00 C ATOM 1346 OH TYR A 85 7.943 -9.028 9.280 1.00 0.00 O ATOM 0 H TYR A 85 6.908 -2.886 7.516 1.00 0.00 H new ATOM 0 HA TYR A 85 8.317 -3.055 10.063 1.00 0.00 H new ATOM 0 HB2 TYR A 85 9.111 -3.398 7.164 1.00 0.00 H new ATOM 0 HB3 TYR A 85 10.270 -3.454 8.477 1.00 0.00 H new ATOM 0 HD1 TYR A 85 7.416 -5.210 6.909 1.00 0.00 H new ATOM 0 HD2 TYR A 85 10.260 -5.239 10.093 1.00 0.00 H new ATOM 0 HE1 TYR A 85 6.868 -7.561 7.385 1.00 0.00 H new ATOM 0 HE2 TYR A 85 9.711 -7.588 10.568 1.00 0.00 H new ATOM 0 HH TYR A 85 8.485 -9.346 10.032 1.00 0.00 H new ATOM 1356 N SER A 86 9.874 -1.043 9.963 1.00 0.00 N ATOM 1357 CA SER A 86 10.501 0.267 10.150 1.00 0.00 C ATOM 1358 C SER A 86 11.313 0.743 8.947 1.00 0.00 C ATOM 1359 O SER A 86 11.652 1.923 8.854 1.00 0.00 O ATOM 1360 CB SER A 86 11.396 0.229 11.369 1.00 0.00 C ATOM 1361 OG SER A 86 12.491 -0.618 11.159 1.00 0.00 O ATOM 0 H SER A 86 10.241 -1.764 10.584 1.00 0.00 H new ATOM 0 HA SER A 86 9.686 0.980 10.278 1.00 0.00 H new ATOM 0 HB2 SER A 86 11.748 1.235 11.598 1.00 0.00 H new ATOM 0 HB3 SER A 86 10.826 -0.114 12.233 1.00 0.00 H new ATOM 0 HG SER A 86 13.057 -0.626 11.959 1.00 0.00 H new ATOM 1367 N ASN A 87 11.626 -0.172 8.033 1.00 0.00 N ATOM 1368 CA ASN A 87 12.313 0.158 6.800 1.00 0.00 C ATOM 1369 C ASN A 87 11.307 0.362 5.657 1.00 0.00 C ATOM 1370 O ASN A 87 11.706 0.514 4.502 1.00 0.00 O ATOM 1371 CB ASN A 87 13.317 -0.928 6.473 1.00 0.00 C ATOM 1372 CG ASN A 87 14.444 -0.949 7.472 1.00 0.00 C ATOM 1373 OD1 ASN A 87 14.917 0.110 7.898 1.00 0.00 O ATOM 1374 ND2 ASN A 87 14.873 -2.125 7.855 1.00 0.00 N ATOM 0 H ASN A 87 11.407 -1.163 8.132 1.00 0.00 H new ATOM 0 HA ASN A 87 12.852 1.097 6.926 1.00 0.00 H new ATOM 0 HB2 ASN A 87 12.818 -1.897 6.464 1.00 0.00 H new ATOM 0 HB3 ASN A 87 13.718 -0.766 5.472 1.00 0.00 H new ATOM 0 HD21 ASN A 87 15.630 -2.195 8.534 1.00 0.00 H new ATOM 0 HD22 ASN A 87 14.450 -2.971 7.474 1.00 0.00 H new ATOM 1381 N GLY A 88 10.008 0.357 5.978 1.00 0.00 N ATOM 1382 CA GLY A 88 8.930 0.591 5.031 1.00 0.00 C ATOM 1383 C GLY A 88 8.157 -0.636 4.547 1.00 0.00 C ATOM 1384 O GLY A 88 7.045 -0.486 4.050 1.00 0.00 O ATOM 0 H GLY A 88 9.677 0.185 6.928 1.00 0.00 H new ATOM 0 HA2 GLY A 88 8.220 1.281 5.488 1.00 0.00 H new ATOM 0 HA3 GLY A 88 9.347 1.095 4.159 1.00 0.00 H new ATOM 1388 N HIS A 89 8.694 -1.841 4.676 1.00 0.00 N ATOM 1389 CA HIS A 89 8.006 -3.000 4.106 1.00 0.00 C ATOM 1390 C HIS A 89 6.570 -3.255 4.576 1.00 0.00 C ATOM 1391 O HIS A 89 6.271 -3.345 5.767 1.00 0.00 O ATOM 1392 CB HIS A 89 8.854 -4.253 4.361 1.00 0.00 C ATOM 1393 CG HIS A 89 8.320 -5.503 3.740 1.00 0.00 C ATOM 1394 ND1 HIS A 89 7.265 -6.207 4.279 1.00 0.00 N ATOM 1395 CD2 HIS A 89 8.693 -6.177 2.629 1.00 0.00 C ATOM 1396 CE1 HIS A 89 7.009 -7.258 3.522 1.00 0.00 C ATOM 1397 NE2 HIS A 89 7.863 -7.265 2.515 1.00 0.00 N ATOM 0 H HIS A 89 9.573 -2.043 5.152 1.00 0.00 H new ATOM 0 HA HIS A 89 7.901 -2.765 3.047 1.00 0.00 H new ATOM 0 HB2 HIS A 89 9.861 -4.077 3.983 1.00 0.00 H new ATOM 0 HB3 HIS A 89 8.939 -4.405 5.437 1.00 0.00 H new ATOM 0 HD2 HIS A 89 9.495 -5.910 1.956 1.00 0.00 H new ATOM 0 HE1 HIS A 89 6.233 -7.988 3.697 1.00 0.00 H new ATOM 0 HE2 HIS A 89 7.900 -7.964 1.773 1.00 0.00 H new ATOM 1405 N ILE A 90 5.659 -3.358 3.604 1.00 0.00 N ATOM 1406 CA ILE A 90 4.263 -3.665 3.903 1.00 0.00 C ATOM 1407 C ILE A 90 4.025 -5.159 3.937 1.00 0.00 C ATOM 1408 O ILE A 90 4.254 -5.845 2.939 1.00 0.00 O ATOM 1409 CB ILE A 90 3.297 -3.080 2.862 1.00 0.00 C ATOM 1410 CG1 ILE A 90 3.466 -1.578 2.771 1.00 0.00 C ATOM 1411 CG2 ILE A 90 1.869 -3.440 3.210 1.00 0.00 C ATOM 1412 CD1 ILE A 90 3.224 -0.867 4.060 1.00 0.00 C ATOM 0 H ILE A 90 5.863 -3.234 2.612 1.00 0.00 H new ATOM 0 HA ILE A 90 4.071 -3.216 4.877 1.00 0.00 H new ATOM 0 HB ILE A 90 3.531 -3.509 1.888 1.00 0.00 H new ATOM 0 HG12 ILE A 90 4.476 -1.355 2.428 1.00 0.00 H new ATOM 0 HG13 ILE A 90 2.781 -1.189 2.018 1.00 0.00 H new ATOM 0 HG21 ILE A 90 1.195 -3.019 2.464 1.00 0.00 H new ATOM 0 HG22 ILE A 90 1.761 -4.524 3.226 1.00 0.00 H new ATOM 0 HG23 ILE A 90 1.621 -3.036 4.192 1.00 0.00 H new ATOM 0 HD11 ILE A 90 3.364 0.204 3.916 1.00 0.00 H new ATOM 0 HD12 ILE A 90 2.205 -1.058 4.395 1.00 0.00 H new ATOM 0 HD13 ILE A 90 3.927 -1.227 4.812 1.00 0.00 H new ATOM 1424 N CYS A 91 3.534 -5.663 5.064 1.00 0.00 N ATOM 1425 CA CYS A 91 3.291 -7.090 5.170 1.00 0.00 C ATOM 1426 C CYS A 91 1.826 -7.414 5.402 1.00 0.00 C ATOM 1427 O CYS A 91 1.381 -7.607 6.534 1.00 0.00 O ATOM 1428 CB CYS A 91 4.118 -7.672 6.310 1.00 0.00 C ATOM 1429 SG CYS A 91 3.956 -9.464 6.494 1.00 0.00 S ATOM 0 H CYS A 91 3.303 -5.119 5.895 1.00 0.00 H new ATOM 0 HA CYS A 91 3.584 -7.535 4.219 1.00 0.00 H new ATOM 0 HB2 CYS A 91 5.167 -7.427 6.146 1.00 0.00 H new ATOM 0 HB3 CYS A 91 3.821 -7.193 7.243 1.00 0.00 H new ATOM 0 HG CYS A 91 4.695 -9.867 7.485 1.00 0.00 H new ATOM 1435 N LEU A 92 1.092 -7.466 4.296 1.00 0.00 N ATOM 1436 CA LEU A 92 -0.316 -7.824 4.287 1.00 0.00 C ATOM 1437 C LEU A 92 -0.450 -9.119 3.514 1.00 0.00 C ATOM 1438 O LEU A 92 0.335 -9.362 2.595 1.00 0.00 O ATOM 1439 CB LEU A 92 -1.166 -6.719 3.656 1.00 0.00 C ATOM 1440 CG LEU A 92 -1.049 -5.365 4.355 1.00 0.00 C ATOM 1441 CD1 LEU A 92 -1.864 -4.326 3.596 1.00 0.00 C ATOM 1442 CD2 LEU A 92 -1.508 -5.516 5.792 1.00 0.00 C ATOM 0 H LEU A 92 1.466 -7.257 3.370 1.00 0.00 H new ATOM 0 HA LEU A 92 -0.678 -7.950 5.307 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -0.875 -6.603 2.612 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -2.211 -7.030 3.663 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.014 -5.022 4.364 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -1.779 -3.361 4.096 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -1.487 -4.241 2.577 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -2.910 -4.631 3.571 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -1.429 -4.556 6.302 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -2.545 -5.852 5.809 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -0.880 -6.249 6.299 1.00 0.00 H new ATOM 1454 N SER A 93 -1.451 -9.935 3.850 1.00 0.00 N ATOM 1455 CA SER A 93 -1.587 -11.219 3.169 1.00 0.00 C ATOM 1456 C SER A 93 -1.849 -11.074 1.688 1.00 0.00 C ATOM 1457 O SER A 93 -1.422 -11.925 0.913 1.00 0.00 O ATOM 1458 CB SER A 93 -2.748 -12.027 3.688 1.00 0.00 C ATOM 1459 OG SER A 93 -3.947 -11.397 3.328 1.00 0.00 O ATOM 0 H SER A 93 -2.154 -9.739 4.562 1.00 0.00 H new ATOM 0 HA SER A 93 -0.633 -11.711 3.359 1.00 0.00 H new ATOM 0 HB2 SER A 93 -2.716 -13.036 3.277 1.00 0.00 H new ATOM 0 HB3 SER A 93 -2.685 -12.122 4.772 1.00 0.00 H new ATOM 0 HG SER A 93 -4.504 -12.021 2.818 1.00 0.00 H new ATOM 1465 N ILE A 94 -2.475 -9.969 1.284 1.00 0.00 N ATOM 1466 CA ILE A 94 -2.797 -9.695 -0.109 1.00 0.00 C ATOM 1467 C ILE A 94 -1.588 -9.483 -1.001 1.00 0.00 C ATOM 1468 O ILE A 94 -1.731 -9.448 -2.219 1.00 0.00 O ATOM 1469 CB ILE A 94 -3.683 -8.443 -0.207 1.00 0.00 C ATOM 1470 CG1 ILE A 94 -2.902 -7.226 0.303 1.00 0.00 C ATOM 1471 CG2 ILE A 94 -4.961 -8.658 0.587 1.00 0.00 C ATOM 1472 CD1 ILE A 94 -3.587 -5.903 0.068 1.00 0.00 C ATOM 0 H ILE A 94 -2.774 -9.234 1.924 1.00 0.00 H new ATOM 0 HA ILE A 94 -3.311 -10.588 -0.465 1.00 0.00 H new ATOM 0 HB ILE A 94 -3.960 -8.260 -1.245 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -2.725 -7.345 1.372 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -1.926 -7.207 -0.181 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -5.587 -7.769 0.516 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -5.500 -9.515 0.183 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -4.713 -8.845 1.632 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -2.966 -5.097 0.459 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -3.740 -5.757 -1.001 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -4.551 -5.897 0.576 1.00 0.00 H new ATOM 1484 N LEU A 95 -0.402 -9.333 -0.422 1.00 0.00 N ATOM 1485 CA LEU A 95 0.794 -9.176 -1.218 1.00 0.00 C ATOM 1486 C LEU A 95 1.498 -10.525 -1.380 1.00 0.00 C ATOM 1487 O LEU A 95 2.445 -10.652 -2.158 1.00 0.00 O ATOM 1488 CB LEU A 95 1.690 -8.124 -0.555 1.00 0.00 C ATOM 1489 CG LEU A 95 1.040 -6.732 -0.452 1.00 0.00 C ATOM 1490 CD1 LEU A 95 1.959 -5.784 0.304 1.00 0.00 C ATOM 1491 CD2 LEU A 95 0.750 -6.215 -1.859 1.00 0.00 C ATOM 0 H LEU A 95 -0.251 -9.318 0.587 1.00 0.00 H new ATOM 0 HA LEU A 95 0.546 -8.829 -2.221 1.00 0.00 H new ATOM 0 HB2 LEU A 95 1.957 -8.465 0.445 1.00 0.00 H new ATOM 0 HB3 LEU A 95 2.618 -8.041 -1.121 1.00 0.00 H new ATOM 0 HG LEU A 95 0.102 -6.797 0.099 1.00 0.00 H new ATOM 0 HD11 LEU A 95 1.492 -4.802 0.372 1.00 0.00 H new ATOM 0 HD12 LEU A 95 2.136 -6.172 1.307 1.00 0.00 H new ATOM 0 HD13 LEU A 95 2.908 -5.698 -0.225 1.00 0.00 H new ATOM 0 HD21 LEU A 95 0.289 -5.229 -1.797 1.00 0.00 H new ATOM 0 HD22 LEU A 95 1.682 -6.145 -2.420 1.00 0.00 H new ATOM 0 HD23 LEU A 95 0.072 -6.901 -2.366 1.00 0.00 H new ATOM 1503 N THR A 96 1.041 -11.552 -0.656 1.00 0.00 N ATOM 1504 CA THR A 96 1.647 -12.871 -0.768 1.00 0.00 C ATOM 1505 C THR A 96 0.570 -13.941 -0.955 1.00 0.00 C ATOM 1506 O THR A 96 0.124 -14.205 -2.072 1.00 0.00 O ATOM 1507 CB THR A 96 2.499 -13.229 0.478 1.00 0.00 C ATOM 1508 OG1 THR A 96 1.682 -13.138 1.652 1.00 0.00 O ATOM 1509 CG2 THR A 96 3.691 -12.297 0.632 1.00 0.00 C ATOM 0 H THR A 96 0.265 -11.492 0.003 1.00 0.00 H new ATOM 0 HA THR A 96 2.303 -12.843 -1.638 1.00 0.00 H new ATOM 0 HB THR A 96 2.874 -14.244 0.347 1.00 0.00 H new ATOM 0 HG1 THR A 96 1.827 -13.928 2.213 1.00 0.00 H new ATOM 0 HG21 THR A 96 4.263 -12.580 1.516 1.00 0.00 H new ATOM 0 HG22 THR A 96 4.327 -12.371 -0.250 1.00 0.00 H new ATOM 0 HG23 THR A 96 3.339 -11.271 0.741 1.00 0.00 H new ATOM 1517 N GLU A 97 0.094 -14.488 0.164 1.00 0.00 N ATOM 1518 CA GLU A 97 -0.852 -15.602 0.190 1.00 0.00 C ATOM 1519 C GLU A 97 -2.216 -15.336 -0.428 1.00 0.00 C ATOM 1520 O GLU A 97 -2.802 -16.232 -1.038 1.00 0.00 O ATOM 1521 CB GLU A 97 -1.057 -16.042 1.640 1.00 0.00 C ATOM 1522 CG GLU A 97 0.163 -16.708 2.261 1.00 0.00 C ATOM 1523 CD GLU A 97 -0.036 -17.101 3.699 1.00 0.00 C ATOM 1524 OE1 GLU A 97 -1.044 -16.748 4.263 1.00 0.00 O ATOM 1525 OE2 GLU A 97 0.824 -17.762 4.234 1.00 0.00 O ATOM 0 H GLU A 97 0.360 -14.163 1.093 1.00 0.00 H new ATOM 0 HA GLU A 97 -0.397 -16.373 -0.432 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -1.328 -15.172 2.238 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -1.898 -16.734 1.684 1.00 0.00 H new ATOM 0 HG2 GLU A 97 0.417 -17.596 1.682 1.00 0.00 H new ATOM 0 HG3 GLU A 97 1.013 -16.029 2.192 1.00 0.00 H new ATOM 1532 N ASP A 98 -2.721 -14.122 -0.274 1.00 0.00 N ATOM 1533 CA ASP A 98 -4.007 -13.747 -0.826 1.00 0.00 C ATOM 1534 C ASP A 98 -3.884 -12.940 -2.119 1.00 0.00 C ATOM 1535 O ASP A 98 -4.889 -12.390 -2.569 1.00 0.00 O ATOM 1536 CB ASP A 98 -4.840 -12.987 0.217 1.00 0.00 C ATOM 1537 CG ASP A 98 -5.271 -13.869 1.392 1.00 0.00 C ATOM 1538 OD1 ASP A 98 -5.509 -15.031 1.161 1.00 0.00 O ATOM 1539 OD2 ASP A 98 -5.365 -13.391 2.502 1.00 0.00 O ATOM 0 H ASP A 98 -2.251 -13.374 0.236 1.00 0.00 H new ATOM 0 HA ASP A 98 -4.522 -14.672 -1.086 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -4.260 -12.145 0.595 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -5.726 -12.573 -0.264 1.00 0.00 H new ATOM 1544 N TRP A 99 -2.693 -12.848 -2.728 1.00 0.00 N ATOM 1545 CA TRP A 99 -2.629 -12.088 -3.973 1.00 0.00 C ATOM 1546 C TRP A 99 -3.387 -12.756 -5.105 1.00 0.00 C ATOM 1547 O TRP A 99 -3.308 -13.965 -5.326 1.00 0.00 O ATOM 1548 CB TRP A 99 -1.208 -11.829 -4.480 1.00 0.00 C ATOM 1549 CG TRP A 99 -1.265 -11.134 -5.824 1.00 0.00 C ATOM 1550 CD1 TRP A 99 -1.024 -11.757 -7.014 1.00 0.00 C ATOM 1551 CD2 TRP A 99 -1.603 -9.758 -6.168 1.00 0.00 C ATOM 1552 NE1 TRP A 99 -1.188 -10.881 -8.052 1.00 0.00 N ATOM 1553 CE2 TRP A 99 -1.540 -9.658 -7.560 1.00 0.00 C ATOM 1554 CE3 TRP A 99 -1.957 -8.620 -5.431 1.00 0.00 C ATOM 1555 CZ2 TRP A 99 -1.812 -8.477 -8.232 1.00 0.00 C ATOM 1556 CZ3 TRP A 99 -2.231 -7.434 -6.104 1.00 0.00 C ATOM 1557 CH2 TRP A 99 -2.161 -7.364 -7.471 1.00 0.00 C ATOM 0 H TRP A 99 -1.819 -13.261 -2.403 1.00 0.00 H new ATOM 0 HA TRP A 99 -3.091 -11.138 -3.704 1.00 0.00 H new ATOM 0 HB2 TRP A 99 -0.663 -11.214 -3.764 1.00 0.00 H new ATOM 0 HB3 TRP A 99 -0.666 -12.770 -4.569 1.00 0.00 H new ATOM 0 HD1 TRP A 99 -0.744 -12.794 -7.121 1.00 0.00 H new ATOM 0 HE1 TRP A 99 -1.066 -11.107 -9.039 1.00 0.00 H new ATOM 0 HE3 TRP A 99 -2.016 -8.663 -4.354 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 -1.755 -8.422 -9.309 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 -2.503 -6.554 -5.540 1.00 0.00 H new ATOM 0 HH2 TRP A 99 -2.380 -6.430 -7.967 1.00 0.00 H new ATOM 1568 N SER A 100 -4.113 -11.916 -5.822 1.00 0.00 N ATOM 1569 CA SER A 100 -4.920 -12.268 -6.965 1.00 0.00 C ATOM 1570 C SER A 100 -4.956 -11.093 -7.925 1.00 0.00 C ATOM 1571 O SER A 100 -4.964 -9.953 -7.470 1.00 0.00 O ATOM 1572 CB SER A 100 -6.334 -12.608 -6.525 1.00 0.00 C ATOM 1573 OG SER A 100 -7.172 -12.855 -7.623 1.00 0.00 O ATOM 0 H SER A 100 -4.154 -10.920 -5.607 1.00 0.00 H new ATOM 0 HA SER A 100 -4.487 -13.139 -7.457 1.00 0.00 H new ATOM 0 HB2 SER A 100 -6.313 -13.485 -5.878 1.00 0.00 H new ATOM 0 HB3 SER A 100 -6.739 -11.786 -5.935 1.00 0.00 H new ATOM 0 HG SER A 100 -8.073 -13.072 -7.305 1.00 0.00 H new ATOM 1579 N PRO A 101 -5.002 -11.317 -9.245 1.00 0.00 N ATOM 1580 CA PRO A 101 -5.126 -10.280 -10.251 1.00 0.00 C ATOM 1581 C PRO A 101 -6.484 -9.573 -10.186 1.00 0.00 C ATOM 1582 O PRO A 101 -6.697 -8.559 -10.853 1.00 0.00 O ATOM 1583 CB PRO A 101 -4.918 -11.085 -11.540 1.00 0.00 C ATOM 1584 CG PRO A 101 -5.290 -12.495 -11.185 1.00 0.00 C ATOM 1585 CD PRO A 101 -4.831 -12.682 -9.754 1.00 0.00 C ATOM 0 HA PRO A 101 -4.422 -9.455 -10.141 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -5.543 -10.704 -12.348 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -3.884 -11.024 -11.880 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -6.365 -12.653 -11.277 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -4.804 -13.209 -11.850 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -5.440 -13.407 -9.213 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -3.798 -13.023 -9.690 1.00 0.00 H new ATOM 1593 N ALA A 102 -7.417 -10.123 -9.397 1.00 0.00 N ATOM 1594 CA ALA A 102 -8.706 -9.513 -9.111 1.00 0.00 C ATOM 1595 C ALA A 102 -8.535 -8.362 -8.105 1.00 0.00 C ATOM 1596 O ALA A 102 -9.460 -7.574 -7.904 1.00 0.00 O ATOM 1597 CB ALA A 102 -9.671 -10.552 -8.569 1.00 0.00 C ATOM 0 H ALA A 102 -7.286 -11.023 -8.934 1.00 0.00 H new ATOM 0 HA ALA A 102 -9.117 -9.109 -10.036 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -10.632 -10.082 -8.359 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -9.807 -11.342 -9.307 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -9.268 -10.979 -7.651 1.00 0.00 H new ATOM 1603 N LEU A 103 -7.363 -8.271 -7.469 1.00 0.00 N ATOM 1604 CA LEU A 103 -7.025 -7.215 -6.532 1.00 0.00 C ATOM 1605 C LEU A 103 -6.395 -6.106 -7.348 1.00 0.00 C ATOM 1606 O LEU A 103 -5.999 -6.341 -8.491 1.00 0.00 O ATOM 1607 CB LEU A 103 -6.044 -7.685 -5.455 1.00 0.00 C ATOM 1608 CG LEU A 103 -6.498 -8.854 -4.581 1.00 0.00 C ATOM 1609 CD1 LEU A 103 -5.369 -9.205 -3.625 1.00 0.00 C ATOM 1610 CD2 LEU A 103 -7.762 -8.463 -3.832 1.00 0.00 C ATOM 0 H LEU A 103 -6.612 -8.948 -7.600 1.00 0.00 H new ATOM 0 HA LEU A 103 -7.923 -6.886 -6.008 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -5.111 -7.966 -5.943 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -5.821 -6.839 -4.804 1.00 0.00 H new ATOM 0 HG LEU A 103 -6.728 -9.729 -5.189 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -5.674 -10.038 -2.992 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -4.484 -9.488 -4.195 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -5.138 -8.341 -3.002 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -8.087 -9.295 -3.208 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -7.559 -7.596 -3.203 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -8.547 -8.217 -4.547 1.00 0.00 H new ATOM 1622 N SER A 104 -6.303 -4.922 -6.757 1.00 0.00 N ATOM 1623 CA SER A 104 -5.779 -3.734 -7.412 1.00 0.00 C ATOM 1624 C SER A 104 -4.953 -2.855 -6.518 1.00 0.00 C ATOM 1625 O SER A 104 -5.118 -2.903 -5.302 1.00 0.00 O ATOM 1626 CB SER A 104 -6.898 -2.855 -7.935 1.00 0.00 C ATOM 1627 OG SER A 104 -6.366 -1.658 -8.444 1.00 0.00 O ATOM 0 H SER A 104 -6.595 -4.759 -5.794 1.00 0.00 H new ATOM 0 HA SER A 104 -5.154 -4.131 -8.211 1.00 0.00 H new ATOM 0 HB2 SER A 104 -7.450 -3.379 -8.715 1.00 0.00 H new ATOM 0 HB3 SER A 104 -7.606 -2.638 -7.135 1.00 0.00 H new ATOM 0 HG SER A 104 -5.671 -1.863 -9.104 1.00 0.00 H new ATOM 1633 N VAL A 105 -4.069 -2.069 -7.136 1.00 0.00 N ATOM 1634 CA VAL A 105 -3.274 -1.065 -6.424 1.00 0.00 C ATOM 1635 C VAL A 105 -4.188 -0.211 -5.557 1.00 0.00 C ATOM 1636 O VAL A 105 -3.798 0.162 -4.452 1.00 0.00 O ATOM 1637 CB VAL A 105 -2.488 -0.153 -7.388 1.00 0.00 C ATOM 1638 CG1 VAL A 105 -1.881 1.021 -6.628 1.00 0.00 C ATOM 1639 CG2 VAL A 105 -1.378 -0.962 -8.038 1.00 0.00 C ATOM 0 H VAL A 105 -3.884 -2.109 -8.138 1.00 0.00 H new ATOM 0 HA VAL A 105 -2.551 -1.598 -5.806 1.00 0.00 H new ATOM 0 HB VAL A 105 -3.165 0.234 -8.149 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -1.329 1.656 -7.321 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -2.676 1.601 -6.159 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -1.203 0.646 -5.861 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -0.816 -0.325 -8.722 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -0.709 -1.346 -7.268 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -1.811 -1.795 -8.591 1.00 0.00 H new ATOM 1649 N GLN A 106 -5.390 0.088 -6.064 1.00 0.00 N ATOM 1650 CA GLN A 106 -6.400 0.844 -5.343 1.00 0.00 C ATOM 1651 C GLN A 106 -6.703 0.148 -4.023 1.00 0.00 C ATOM 1652 O GLN A 106 -6.645 0.782 -2.969 1.00 0.00 O ATOM 1653 CB GLN A 106 -7.682 0.944 -6.178 1.00 0.00 C ATOM 1654 CG GLN A 106 -8.822 1.760 -5.584 1.00 0.00 C ATOM 1655 CD GLN A 106 -10.077 1.621 -6.433 1.00 0.00 C ATOM 1656 OE1 GLN A 106 -10.439 0.493 -6.779 1.00 0.00 O ATOM 1657 NE2 GLN A 106 -10.749 2.712 -6.780 1.00 0.00 N ATOM 0 H GLN A 106 -5.684 -0.195 -6.999 1.00 0.00 H new ATOM 0 HA GLN A 106 -6.025 1.849 -5.151 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -7.425 1.373 -7.146 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -8.047 -0.066 -6.364 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -9.025 1.425 -4.567 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -8.532 2.809 -5.522 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -10.423 3.630 -6.477 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -11.592 2.632 -7.349 1.00 0.00 H new ATOM 1666 N SER A 107 -7.008 -1.154 -4.102 1.00 0.00 N ATOM 1667 CA SER A 107 -7.350 -1.967 -2.940 1.00 0.00 C ATOM 1668 C SER A 107 -6.163 -2.232 -2.022 1.00 0.00 C ATOM 1669 O SER A 107 -6.371 -2.485 -0.835 1.00 0.00 O ATOM 1670 CB SER A 107 -7.926 -3.312 -3.370 1.00 0.00 C ATOM 1671 OG SER A 107 -6.952 -4.149 -3.938 1.00 0.00 O ATOM 0 H SER A 107 -7.023 -1.671 -4.981 1.00 0.00 H new ATOM 0 HA SER A 107 -8.089 -1.387 -2.387 1.00 0.00 H new ATOM 0 HB2 SER A 107 -8.370 -3.808 -2.507 1.00 0.00 H new ATOM 0 HB3 SER A 107 -8.727 -3.149 -4.091 1.00 0.00 H new ATOM 0 HG SER A 107 -6.243 -3.602 -4.337 1.00 0.00 H new ATOM 1677 N VAL A 108 -4.937 -2.185 -2.553 1.00 0.00 N ATOM 1678 CA VAL A 108 -3.756 -2.365 -1.716 1.00 0.00 C ATOM 1679 C VAL A 108 -3.597 -1.128 -0.856 1.00 0.00 C ATOM 1680 O VAL A 108 -3.371 -1.250 0.346 1.00 0.00 O ATOM 1681 CB VAL A 108 -2.456 -2.593 -2.512 1.00 0.00 C ATOM 1682 CG1 VAL A 108 -1.298 -2.603 -1.522 1.00 0.00 C ATOM 1683 CG2 VAL A 108 -2.499 -3.906 -3.282 1.00 0.00 C ATOM 0 H VAL A 108 -4.742 -2.026 -3.542 1.00 0.00 H new ATOM 0 HA VAL A 108 -3.914 -3.265 -1.122 1.00 0.00 H new ATOM 0 HB VAL A 108 -2.332 -1.795 -3.244 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -0.362 -2.763 -2.058 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -1.258 -1.647 -0.999 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -1.444 -3.406 -0.799 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -1.567 -4.036 -3.832 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -2.626 -4.733 -2.584 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -3.334 -3.890 -3.982 1.00 0.00 H new ATOM 1693 N CYS A 109 -3.711 0.048 -1.474 1.00 0.00 N ATOM 1694 CA CYS A 109 -3.624 1.311 -0.755 1.00 0.00 C ATOM 1695 C CYS A 109 -4.727 1.433 0.283 1.00 0.00 C ATOM 1696 O CYS A 109 -4.473 1.888 1.401 1.00 0.00 O ATOM 1697 CB CYS A 109 -3.733 2.479 -1.725 1.00 0.00 C ATOM 1698 SG CYS A 109 -2.308 2.746 -2.793 1.00 0.00 S ATOM 0 H CYS A 109 -3.865 0.148 -2.477 1.00 0.00 H new ATOM 0 HA CYS A 109 -2.658 1.333 -0.250 1.00 0.00 H new ATOM 0 HB2 CYS A 109 -4.610 2.324 -2.353 1.00 0.00 H new ATOM 0 HB3 CYS A 109 -3.908 3.389 -1.151 1.00 0.00 H new ATOM 0 HG CYS A 109 -1.624 1.644 -2.887 1.00 0.00 H new ATOM 1704 N LEU A 110 -5.942 1.031 -0.098 1.00 0.00 N ATOM 1705 CA LEU A 110 -7.070 1.016 0.817 1.00 0.00 C ATOM 1706 C LEU A 110 -6.819 0.072 1.976 1.00 0.00 C ATOM 1707 O LEU A 110 -7.144 0.418 3.111 1.00 0.00 O ATOM 1708 CB LEU A 110 -8.341 0.586 0.072 1.00 0.00 C ATOM 1709 CG LEU A 110 -8.936 1.597 -0.912 1.00 0.00 C ATOM 1710 CD1 LEU A 110 -10.015 0.937 -1.757 1.00 0.00 C ATOM 1711 CD2 LEU A 110 -9.561 2.720 -0.107 1.00 0.00 C ATOM 0 H LEU A 110 -6.163 0.711 -1.041 1.00 0.00 H new ATOM 0 HA LEU A 110 -7.199 2.023 1.213 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -8.122 -0.332 -0.474 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -9.103 0.342 0.812 1.00 0.00 H new ATOM 0 HG LEU A 110 -8.154 1.974 -1.571 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -10.430 1.667 -2.452 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -9.582 0.108 -2.317 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -10.807 0.563 -1.108 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -9.994 3.456 -0.784 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -10.343 2.315 0.536 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -8.797 3.197 0.507 1.00 0.00 H new ATOM 1723 N SER A 111 -6.248 -1.101 1.698 1.00 0.00 N ATOM 1724 CA SER A 111 -5.940 -2.065 2.738 1.00 0.00 C ATOM 1725 C SER A 111 -4.893 -1.542 3.703 1.00 0.00 C ATOM 1726 O SER A 111 -5.047 -1.730 4.906 1.00 0.00 O ATOM 1727 CB SER A 111 -5.446 -3.363 2.127 1.00 0.00 C ATOM 1728 OG SER A 111 -6.454 -3.983 1.375 1.00 0.00 O ATOM 0 H SER A 111 -5.992 -1.400 0.757 1.00 0.00 H new ATOM 0 HA SER A 111 -6.862 -2.241 3.292 1.00 0.00 H new ATOM 0 HB2 SER A 111 -4.584 -3.164 1.491 1.00 0.00 H new ATOM 0 HB3 SER A 111 -5.111 -4.036 2.916 1.00 0.00 H new ATOM 0 HG SER A 111 -6.711 -3.401 0.630 1.00 0.00 H new ATOM 1734 N ILE A 112 -3.854 -0.882 3.193 1.00 0.00 N ATOM 1735 CA ILE A 112 -2.798 -0.355 4.048 1.00 0.00 C ATOM 1736 C ILE A 112 -3.307 0.733 4.972 1.00 0.00 C ATOM 1737 O ILE A 112 -3.043 0.672 6.174 1.00 0.00 O ATOM 1738 CB ILE A 112 -1.633 0.195 3.210 1.00 0.00 C ATOM 1739 CG1 ILE A 112 -0.948 -0.959 2.489 1.00 0.00 C ATOM 1740 CG2 ILE A 112 -0.627 0.897 4.113 1.00 0.00 C ATOM 1741 CD1 ILE A 112 0.004 -0.514 1.417 1.00 0.00 C ATOM 0 H ILE A 112 -3.723 -0.702 2.198 1.00 0.00 H new ATOM 0 HA ILE A 112 -2.445 -1.188 4.657 1.00 0.00 H new ATOM 0 HB ILE A 112 -2.018 0.910 2.483 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -0.406 -1.562 3.218 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -1.708 -1.602 2.045 1.00 0.00 H new ATOM 0 HG21 ILE A 112 0.195 1.283 3.511 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -1.116 1.722 4.631 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -0.239 0.189 4.845 1.00 0.00 H new ATOM 0 HD11 ILE A 112 0.455 -1.387 0.946 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -0.536 0.064 0.667 1.00 0.00 H new ATOM 0 HD13 ILE A 112 0.785 0.105 1.858 1.00 0.00 H new ATOM 1753 N ILE A 113 -4.024 1.718 4.428 1.00 0.00 N ATOM 1754 CA ILE A 113 -4.531 2.778 5.287 1.00 0.00 C ATOM 1755 C ILE A 113 -5.630 2.250 6.215 1.00 0.00 C ATOM 1756 O ILE A 113 -5.811 2.795 7.306 1.00 0.00 O ATOM 1757 CB ILE A 113 -5.014 3.982 4.449 1.00 0.00 C ATOM 1758 CG1 ILE A 113 -5.113 5.221 5.350 1.00 0.00 C ATOM 1759 CG2 ILE A 113 -6.347 3.697 3.773 1.00 0.00 C ATOM 1760 CD1 ILE A 113 -5.283 6.519 4.587 1.00 0.00 C ATOM 0 H ILE A 113 -4.257 1.801 3.439 1.00 0.00 H new ATOM 0 HA ILE A 113 -3.715 3.129 5.918 1.00 0.00 H new ATOM 0 HB ILE A 113 -4.288 4.167 3.657 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -5.955 5.097 6.031 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -4.214 5.286 5.963 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -6.654 4.567 3.193 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -6.243 2.838 3.111 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -7.101 3.482 4.531 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -5.345 7.349 5.291 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -4.429 6.667 3.926 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -6.197 6.476 3.995 1.00 0.00 H new ATOM 1772 N SER A 114 -6.358 1.204 5.799 1.00 0.00 N ATOM 1773 CA SER A 114 -7.356 0.590 6.662 1.00 0.00 C ATOM 1774 C SER A 114 -6.667 -0.077 7.838 1.00 0.00 C ATOM 1775 O SER A 114 -7.144 0.017 8.971 1.00 0.00 O ATOM 1776 CB SER A 114 -8.188 -0.439 5.920 1.00 0.00 C ATOM 1777 OG SER A 114 -8.971 0.156 4.922 1.00 0.00 O ATOM 0 H SER A 114 -6.270 0.775 4.878 1.00 0.00 H new ATOM 0 HA SER A 114 -8.025 1.377 7.009 1.00 0.00 H new ATOM 0 HB2 SER A 114 -7.531 -1.185 5.472 1.00 0.00 H new ATOM 0 HB3 SER A 114 -8.833 -0.964 6.625 1.00 0.00 H new ATOM 0 HG SER A 114 -8.388 0.534 4.231 1.00 0.00 H new ATOM 1783 N MET A 115 -5.534 -0.733 7.590 1.00 0.00 N ATOM 1784 CA MET A 115 -4.800 -1.328 8.692 1.00 0.00 C ATOM 1785 C MET A 115 -4.248 -0.238 9.593 1.00 0.00 C ATOM 1786 O MET A 115 -4.258 -0.400 10.813 1.00 0.00 O ATOM 1787 CB MET A 115 -3.681 -2.221 8.176 1.00 0.00 C ATOM 1788 CG MET A 115 -4.167 -3.491 7.500 1.00 0.00 C ATOM 1789 SD MET A 115 -5.188 -4.516 8.562 1.00 0.00 S ATOM 1790 CE MET A 115 -3.970 -5.005 9.772 1.00 0.00 C ATOM 0 H MET A 115 -5.120 -0.861 6.667 1.00 0.00 H new ATOM 0 HA MET A 115 -5.482 -1.950 9.272 1.00 0.00 H new ATOM 0 HB2 MET A 115 -3.075 -1.655 7.469 1.00 0.00 H new ATOM 0 HB3 MET A 115 -3.032 -2.490 9.009 1.00 0.00 H new ATOM 0 HG2 MET A 115 -4.735 -3.225 6.609 1.00 0.00 H new ATOM 0 HG3 MET A 115 -3.305 -4.070 7.168 1.00 0.00 H new ATOM 0 HE1 MET A 115 -4.336 -5.868 10.328 1.00 0.00 H new ATOM 0 HE2 MET A 115 -3.040 -5.266 9.267 1.00 0.00 H new ATOM 0 HE3 MET A 115 -3.790 -4.180 10.461 1.00 0.00 H new ATOM 1800 N LEU A 116 -3.821 0.893 9.028 1.00 0.00 N ATOM 1801 CA LEU A 116 -3.353 1.993 9.861 1.00 0.00 C ATOM 1802 C LEU A 116 -4.490 2.522 10.735 1.00 0.00 C ATOM 1803 O LEU A 116 -4.247 2.967 11.856 1.00 0.00 O ATOM 1804 CB LEU A 116 -2.782 3.144 9.018 1.00 0.00 C ATOM 1805 CG LEU A 116 -1.464 2.894 8.266 1.00 0.00 C ATOM 1806 CD1 LEU A 116 -1.165 4.110 7.405 1.00 0.00 C ATOM 1807 CD2 LEU A 116 -0.329 2.649 9.247 1.00 0.00 C ATOM 0 H LEU A 116 -3.791 1.066 8.023 1.00 0.00 H new ATOM 0 HA LEU A 116 -2.555 1.602 10.492 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -3.537 3.430 8.286 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -2.636 4.001 9.676 1.00 0.00 H new ATOM 0 HG LEU A 116 -1.560 2.008 7.638 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -0.233 3.952 6.863 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -1.977 4.261 6.694 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -1.071 4.991 8.040 1.00 0.00 H new ATOM 0 HD21 LEU A 116 0.596 2.474 8.697 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -0.209 3.521 9.890 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -0.558 1.776 9.858 1.00 0.00 H new ATOM 1819 N SER A 117 -5.739 2.484 10.262 1.00 0.00 N ATOM 1820 CA SER A 117 -6.823 2.948 11.121 1.00 0.00 C ATOM 1821 C SER A 117 -7.079 2.054 12.339 1.00 0.00 C ATOM 1822 O SER A 117 -7.668 2.539 13.306 1.00 0.00 O ATOM 1823 CB SER A 117 -8.136 3.062 10.362 1.00 0.00 C ATOM 1824 OG SER A 117 -8.706 1.813 10.083 1.00 0.00 O ATOM 0 H SER A 117 -6.013 2.154 9.337 1.00 0.00 H new ATOM 0 HA SER A 117 -6.484 3.924 11.467 1.00 0.00 H new ATOM 0 HB2 SER A 117 -8.839 3.656 10.946 1.00 0.00 H new ATOM 0 HB3 SER A 117 -7.966 3.597 9.428 1.00 0.00 H new ATOM 0 HG SER A 117 -7.996 1.163 9.900 1.00 0.00 H new ATOM 1830 N SER A 118 -6.631 0.790 12.325 1.00 0.00 N ATOM 1831 CA SER A 118 -6.833 -0.137 13.438 1.00 0.00 C ATOM 1832 C SER A 118 -6.284 -1.532 13.155 1.00 0.00 C ATOM 1833 O SER A 118 -6.750 -2.219 12.243 1.00 0.00 O ATOM 1834 CB SER A 118 -8.302 -0.308 13.781 1.00 0.00 C ATOM 1835 OG SER A 118 -8.447 -1.227 14.831 1.00 0.00 O ATOM 0 H SER A 118 -6.119 0.386 11.540 1.00 0.00 H new ATOM 0 HA SER A 118 -6.292 0.316 14.269 1.00 0.00 H new ATOM 0 HB2 SER A 118 -8.731 0.653 14.066 1.00 0.00 H new ATOM 0 HB3 SER A 118 -8.850 -0.655 12.905 1.00 0.00 H new ATOM 0 HG SER A 118 -9.397 -1.330 15.047 1.00 0.00 H new