USER MOD reduce.3.24.130724 H: found=0, std=0, add=833, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 832 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 104 SER OG : rot -170:sc= 1.55 USER MOD Set 1.2: A 107 SER OG : rot 70:sc= 1.17 USER MOD Set 2.1: A 81 HIS : no HD1:sc= 0.711 K(o=0.7,f=-11!) USER MOD Set 2.2: A 83 HIS : no HD1:sc=-0.00886 K(o=0.7,f=-0.96) USER MOD Set 2.3: A 91 CYS SG : rot 180:sc= 0 USER MOD Set 3.1: A 59 LYS NZ :NH3+ -174:sc= 0.986 (180deg=0) USER MOD Set 3.2: A 70 GLN : amide:sc= 0.722 K(o=1.7,f=-5!) USER MOD Set 4.1: A 23 MET CE :methyl 169:sc= -0.225 (180deg=-0.426) USER MOD Set 4.2: A 109 CYS SG : rot -173:sc= 1.28 USER MOD Single : A 4 MET CE :methyl -128:sc= -0.133 (180deg=-0.649) USER MOD Single : A 5 GLN : amide:sc= -0.0054 K(o=-0.0054,f=-1.1) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -0.111 X(o=-0.11,f=-0.064) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 17 ASN : amide:sc= -0.0343 K(o=-0.034,f=-1.6!) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= 0.763 K(o=0.76,f=-0.0063) USER MOD Single : A 35 THR OG1 : rot -27:sc= 0.0655 USER MOD Single : A 36 GLN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 41 MET CE :methyl -175:sc= -0.924 (180deg=-0.984) USER MOD Single : A 47 THR OG1 : rot -73:sc= 1.32 USER MOD Single : A 49 TYR OH : rot -178:sc= 1.86 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -0.0123 K(o=-0.012,f=-0.9) USER MOD Single : A 61 SER OG : rot -130:sc= 0.491 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 30:sc= 0 USER MOD Single : A 68 SER OG : rot -69:sc= 0.148 USER MOD Single : A 72 MET CE :methyl -178:sc= -0.0427 (180deg=-0.0523) USER MOD Single : A 74 THR OG1 : rot -170:sc= 0 USER MOD Single : A 77 ASN : amide:sc= 0.269 K(o=0.27,f=-2.1) USER MOD Single : A 85 TYR OH : rot 85:sc= 0.705 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= 0.181 K(o=0.18,f=-10!) USER MOD Single : A 89 HIS : no HD1:sc= -0.0575 X(o=-0.058,f=-0.48) USER MOD Single : A 93 SER OG : rot 160:sc= 1.26 USER MOD Single : A 96 THR OG1 : rot 180:sc= -0.016! USER MOD Single : A 100 SER OG : rot 180:sc= 0.0046 USER MOD Single : A 106 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 111 SER OG : rot 75:sc= 0.387 USER MOD Single : A 114 SER OG : rot 82:sc= 1.21 USER MOD Single : A 115 MET CE :methyl 163:sc= -0.853 (180deg=-1.29) USER MOD Single : A 117 SER OG : rot -31:sc= 0.822 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 41 N MET A 4 0.575 -7.980 -18.991 1.00 0.00 N ATOM 42 CA MET A 4 0.518 -7.666 -17.574 1.00 0.00 C ATOM 43 C MET A 4 0.632 -6.160 -17.368 1.00 0.00 C ATOM 44 O MET A 4 0.148 -5.640 -16.363 1.00 0.00 O ATOM 45 CB MET A 4 1.621 -8.417 -16.841 1.00 0.00 C ATOM 46 CG MET A 4 1.440 -9.928 -16.856 1.00 0.00 C ATOM 47 SD MET A 4 -0.096 -10.454 -16.073 1.00 0.00 S ATOM 48 CE MET A 4 -1.192 -10.643 -17.477 1.00 0.00 C ATOM 0 HA MET A 4 -0.440 -7.984 -17.164 1.00 0.00 H new ATOM 0 HB2 MET A 4 2.581 -8.170 -17.294 1.00 0.00 H new ATOM 0 HB3 MET A 4 1.658 -8.074 -15.807 1.00 0.00 H new ATOM 0 HG2 MET A 4 1.457 -10.281 -17.887 1.00 0.00 H new ATOM 0 HG3 MET A 4 2.282 -10.395 -16.345 1.00 0.00 H new ATOM 0 HE1 MET A 4 -2.110 -10.082 -17.300 1.00 0.00 H new ATOM 0 HE2 MET A 4 -0.702 -10.264 -18.374 1.00 0.00 H new ATOM 0 HE3 MET A 4 -1.432 -11.698 -17.612 1.00 0.00 H new ATOM 58 N GLN A 5 1.273 -5.474 -18.320 1.00 0.00 N ATOM 59 CA GLN A 5 1.421 -4.028 -18.290 1.00 0.00 C ATOM 60 C GLN A 5 0.069 -3.392 -18.567 1.00 0.00 C ATOM 61 O GLN A 5 -0.253 -2.353 -17.993 1.00 0.00 O ATOM 62 CB GLN A 5 2.445 -3.561 -19.321 1.00 0.00 C ATOM 63 CG GLN A 5 3.873 -3.965 -19.005 1.00 0.00 C ATOM 64 CD GLN A 5 4.834 -3.549 -20.102 1.00 0.00 C ATOM 65 OE1 GLN A 5 4.432 -3.360 -21.253 1.00 0.00 O ATOM 66 NE2 GLN A 5 6.108 -3.405 -19.755 1.00 0.00 N ATOM 0 H GLN A 5 1.703 -5.914 -19.133 1.00 0.00 H new ATOM 0 HA GLN A 5 1.780 -3.726 -17.306 1.00 0.00 H new ATOM 0 HB2 GLN A 5 2.172 -3.964 -20.296 1.00 0.00 H new ATOM 0 HB3 GLN A 5 2.395 -2.475 -19.400 1.00 0.00 H new ATOM 0 HG2 GLN A 5 4.179 -3.510 -18.063 1.00 0.00 H new ATOM 0 HG3 GLN A 5 3.923 -5.045 -18.869 1.00 0.00 H new ATOM 0 HE21 GLN A 5 6.396 -3.572 -18.791 1.00 0.00 H new ATOM 0 HE22 GLN A 5 6.798 -3.128 -20.453 1.00 0.00 H new ATOM 75 N LYS A 6 -0.700 -4.012 -19.464 1.00 0.00 N ATOM 76 CA LYS A 6 -2.037 -3.541 -19.785 1.00 0.00 C ATOM 77 C LYS A 6 -2.930 -3.748 -18.576 1.00 0.00 C ATOM 78 O LYS A 6 -3.740 -2.875 -18.271 1.00 0.00 O ATOM 79 CB LYS A 6 -2.605 -4.263 -21.008 1.00 0.00 C ATOM 80 CG LYS A 6 -1.933 -3.893 -22.322 1.00 0.00 C ATOM 81 CD LYS A 6 -2.531 -4.663 -23.492 1.00 0.00 C ATOM 82 CE LYS A 6 -1.857 -4.274 -24.801 1.00 0.00 C ATOM 83 NZ LYS A 6 -2.417 -5.014 -25.967 1.00 0.00 N ATOM 0 H LYS A 6 -0.413 -4.844 -19.980 1.00 0.00 H new ATOM 0 HA LYS A 6 -1.991 -2.481 -20.033 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -2.512 -5.338 -20.856 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -3.670 -4.043 -21.083 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -2.040 -2.822 -22.497 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -0.865 -4.101 -22.257 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -2.417 -5.734 -23.324 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -3.601 -4.463 -23.556 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -1.974 -3.203 -24.963 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -0.787 -4.470 -24.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -1.927 -4.716 -26.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -2.282 -6.036 -25.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -3.433 -4.807 -26.054 1.00 0.00 H new ATOM 97 N ARG A 7 -2.774 -4.891 -17.900 1.00 0.00 N ATOM 98 CA ARG A 7 -3.528 -5.152 -16.680 1.00 0.00 C ATOM 99 C ARG A 7 -3.192 -4.123 -15.611 1.00 0.00 C ATOM 100 O ARG A 7 -4.090 -3.677 -14.896 1.00 0.00 O ATOM 101 CB ARG A 7 -3.262 -6.553 -16.160 1.00 0.00 C ATOM 102 CG ARG A 7 -3.954 -6.853 -14.842 1.00 0.00 C ATOM 103 CD ARG A 7 -5.438 -6.840 -14.943 1.00 0.00 C ATOM 104 NE ARG A 7 -6.050 -7.063 -13.641 1.00 0.00 N ATOM 105 CZ ARG A 7 -6.271 -6.084 -12.739 1.00 0.00 C ATOM 106 NH1 ARG A 7 -5.944 -4.845 -13.009 1.00 0.00 N ATOM 107 NH2 ARG A 7 -6.811 -6.311 -11.556 1.00 0.00 N ATOM 0 H ARG A 7 -2.139 -5.640 -18.177 1.00 0.00 H new ATOM 0 HA ARG A 7 -4.588 -5.074 -16.922 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -3.590 -7.277 -16.906 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -2.188 -6.688 -16.036 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -3.629 -7.829 -14.483 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -3.640 -6.120 -14.099 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -5.771 -5.884 -15.346 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -5.766 -7.611 -15.640 1.00 0.00 H new ATOM 0 HE ARG A 7 -6.328 -8.014 -13.397 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -5.519 -4.614 -13.907 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -6.115 -4.111 -12.321 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -7.080 -7.259 -11.292 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -6.959 -5.539 -10.906 1.00 0.00 H new ATOM 121 N LEU A 8 -1.912 -3.774 -15.490 1.00 0.00 N ATOM 122 CA LEU A 8 -1.488 -2.724 -14.582 1.00 0.00 C ATOM 123 C LEU A 8 -2.139 -1.405 -14.923 1.00 0.00 C ATOM 124 O LEU A 8 -2.623 -0.737 -14.012 1.00 0.00 O ATOM 125 CB LEU A 8 0.026 -2.578 -14.569 1.00 0.00 C ATOM 126 CG LEU A 8 0.512 -1.400 -13.727 1.00 0.00 C ATOM 127 CD1 LEU A 8 0.019 -1.539 -12.302 1.00 0.00 C ATOM 128 CD2 LEU A 8 2.026 -1.402 -13.754 1.00 0.00 C ATOM 0 H LEU A 8 -1.152 -4.208 -16.014 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.811 -3.016 -13.583 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.469 -3.497 -14.186 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.381 -2.455 -15.592 1.00 0.00 H new ATOM 0 HG LEU A 8 0.126 -0.464 -14.130 1.00 0.00 H new ATOM 0 HD11 LEU A 8 0.372 -0.694 -11.711 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.071 -1.558 -12.294 1.00 0.00 H new ATOM 0 HD13 LEU A 8 0.401 -2.466 -11.874 1.00 0.00 H new ATOM 0 HD21 LEU A 8 2.402 -0.569 -13.159 1.00 0.00 H new ATOM 0 HD22 LEU A 8 2.396 -2.340 -13.340 1.00 0.00 H new ATOM 0 HD23 LEU A 8 2.372 -1.298 -14.783 1.00 0.00 H new ATOM 140 N GLN A 9 -2.135 -1.019 -16.198 1.00 0.00 N ATOM 141 CA GLN A 9 -2.787 0.221 -16.584 1.00 0.00 C ATOM 142 C GLN A 9 -4.264 0.189 -16.235 1.00 0.00 C ATOM 143 O GLN A 9 -4.792 1.206 -15.797 1.00 0.00 O ATOM 144 CB GLN A 9 -2.634 0.485 -18.079 1.00 0.00 C ATOM 145 CG GLN A 9 -3.208 1.819 -18.532 1.00 0.00 C ATOM 146 CD GLN A 9 -2.476 3.015 -17.949 1.00 0.00 C ATOM 147 OE1 GLN A 9 -1.250 3.111 -18.042 1.00 0.00 O ATOM 148 NE2 GLN A 9 -3.217 3.941 -17.353 1.00 0.00 N ATOM 0 H GLN A 9 -1.698 -1.536 -16.961 1.00 0.00 H new ATOM 0 HA GLN A 9 -2.301 1.024 -16.030 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -1.576 0.449 -18.338 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -3.124 -0.317 -18.631 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -3.170 1.873 -19.620 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -4.259 1.870 -18.247 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -4.229 3.826 -17.296 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -2.775 4.768 -16.952 1.00 0.00 H new ATOM 157 N LYS A 10 -4.923 -0.958 -16.410 1.00 0.00 N ATOM 158 CA LYS A 10 -6.324 -1.094 -16.042 1.00 0.00 C ATOM 159 C LYS A 10 -6.521 -0.930 -14.541 1.00 0.00 C ATOM 160 O LYS A 10 -7.542 -0.381 -14.124 1.00 0.00 O ATOM 161 CB LYS A 10 -6.867 -2.446 -16.498 1.00 0.00 C ATOM 162 CG LYS A 10 -7.031 -2.574 -18.005 1.00 0.00 C ATOM 163 CD LYS A 10 -7.546 -3.952 -18.388 1.00 0.00 C ATOM 164 CE LYS A 10 -7.710 -4.074 -19.896 1.00 0.00 C ATOM 165 NZ LYS A 10 -8.212 -5.418 -20.293 1.00 0.00 N ATOM 0 H LYS A 10 -4.506 -1.801 -16.804 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.878 -0.301 -16.545 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -6.197 -3.231 -16.148 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -7.833 -2.616 -16.023 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -7.723 -1.812 -18.364 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -6.074 -2.392 -18.494 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -6.854 -4.715 -18.031 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -8.503 -4.135 -17.899 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -8.402 -3.309 -20.249 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -6.752 -3.886 -20.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -8.310 -5.460 -21.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -7.540 -6.146 -19.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -9.138 -5.587 -19.850 1.00 0.00 H new ATOM 179 N GLU A 11 -5.558 -1.399 -13.744 1.00 0.00 N ATOM 180 CA GLU A 11 -5.622 -1.250 -12.298 1.00 0.00 C ATOM 181 C GLU A 11 -5.497 0.216 -11.935 1.00 0.00 C ATOM 182 O GLU A 11 -6.214 0.695 -11.060 1.00 0.00 O ATOM 183 CB GLU A 11 -4.494 -2.014 -11.606 1.00 0.00 C ATOM 184 CG GLU A 11 -4.588 -2.050 -10.092 1.00 0.00 C ATOM 185 CD GLU A 11 -5.775 -2.829 -9.590 1.00 0.00 C ATOM 186 OE1 GLU A 11 -6.386 -3.538 -10.364 1.00 0.00 O ATOM 187 OE2 GLU A 11 -6.050 -2.750 -8.413 1.00 0.00 O ATOM 0 H GLU A 11 -4.727 -1.884 -14.081 1.00 0.00 H new ATOM 0 HA GLU A 11 -6.578 -1.654 -11.965 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -4.484 -3.038 -11.980 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -3.542 -1.563 -11.887 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -3.676 -2.489 -9.688 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -4.645 -1.029 -9.714 1.00 0.00 H new ATOM 194 N LEU A 12 -4.589 0.910 -12.615 1.00 0.00 N ATOM 195 CA LEU A 12 -4.361 2.326 -12.398 1.00 0.00 C ATOM 196 C LEU A 12 -5.603 3.125 -12.788 1.00 0.00 C ATOM 197 O LEU A 12 -5.943 4.092 -12.107 1.00 0.00 O ATOM 198 CB LEU A 12 -3.124 2.737 -13.205 1.00 0.00 C ATOM 199 CG LEU A 12 -1.801 2.133 -12.698 1.00 0.00 C ATOM 200 CD1 LEU A 12 -0.700 2.430 -13.701 1.00 0.00 C ATOM 201 CD2 LEU A 12 -1.465 2.716 -11.337 1.00 0.00 C ATOM 0 H LEU A 12 -3.991 0.500 -13.333 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.176 2.535 -11.344 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.269 2.441 -14.244 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.041 3.824 -13.191 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.898 1.052 -12.594 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.239 2.005 -13.347 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.957 1.990 -14.665 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.591 3.509 -13.812 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.529 2.288 -10.979 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.361 3.798 -11.420 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.264 2.481 -10.633 1.00 0.00 H new ATOM 213 N LEU A 13 -6.278 2.716 -13.863 1.00 0.00 N ATOM 214 CA LEU A 13 -7.518 3.352 -14.286 1.00 0.00 C ATOM 215 C LEU A 13 -8.618 3.116 -13.260 1.00 0.00 C ATOM 216 O LEU A 13 -9.421 4.016 -13.012 1.00 0.00 O ATOM 217 CB LEU A 13 -7.938 2.805 -15.655 1.00 0.00 C ATOM 218 CG LEU A 13 -7.044 3.213 -16.835 1.00 0.00 C ATOM 219 CD1 LEU A 13 -7.452 2.429 -18.075 1.00 0.00 C ATOM 220 CD2 LEU A 13 -7.181 4.707 -17.067 1.00 0.00 C ATOM 0 H LEU A 13 -5.981 1.942 -14.457 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.354 4.427 -14.367 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.962 1.717 -15.600 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.956 3.136 -15.862 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.001 2.987 -16.615 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -6.818 2.718 -18.913 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.338 1.362 -17.885 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -8.493 2.645 -18.316 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -6.549 5.005 -17.904 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -8.220 4.946 -17.294 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.873 5.244 -16.170 1.00 0.00 H new ATOM 232 N ALA A 14 -8.659 1.915 -12.678 1.00 0.00 N ATOM 233 CA ALA A 14 -9.616 1.595 -11.628 1.00 0.00 C ATOM 234 C ALA A 14 -9.373 2.481 -10.414 1.00 0.00 C ATOM 235 O ALA A 14 -10.337 2.908 -9.778 1.00 0.00 O ATOM 236 CB ALA A 14 -9.523 0.128 -11.244 1.00 0.00 C ATOM 0 H ALA A 14 -8.034 1.147 -12.922 1.00 0.00 H new ATOM 0 HA ALA A 14 -10.621 1.783 -12.005 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -10.247 -0.089 -10.458 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -9.737 -0.491 -12.116 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -8.518 -0.090 -10.882 1.00 0.00 H new ATOM 242 N LEU A 15 -8.104 2.735 -10.093 1.00 0.00 N ATOM 243 CA LEU A 15 -7.730 3.623 -9.000 1.00 0.00 C ATOM 244 C LEU A 15 -8.133 5.057 -9.295 1.00 0.00 C ATOM 245 O LEU A 15 -8.468 5.796 -8.374 1.00 0.00 O ATOM 246 CB LEU A 15 -6.226 3.559 -8.768 1.00 0.00 C ATOM 247 CG LEU A 15 -5.679 2.252 -8.210 1.00 0.00 C ATOM 248 CD1 LEU A 15 -4.164 2.329 -8.265 1.00 0.00 C ATOM 249 CD2 LEU A 15 -6.200 2.052 -6.795 1.00 0.00 C ATOM 0 H LEU A 15 -7.309 2.329 -10.586 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.256 3.292 -8.105 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -5.726 3.761 -9.715 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.952 4.363 -8.085 1.00 0.00 H new ATOM 0 HG LEU A 15 -6.007 1.392 -8.794 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.738 1.406 -7.871 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.844 2.465 -9.298 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.820 3.172 -7.665 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -5.810 1.117 -6.393 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -5.874 2.881 -6.167 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -7.289 2.014 -6.810 1.00 0.00 H new ATOM 261 N GLN A 16 -8.069 5.472 -10.561 1.00 0.00 N ATOM 262 CA GLN A 16 -8.541 6.803 -10.918 1.00 0.00 C ATOM 263 C GLN A 16 -10.048 6.893 -10.710 1.00 0.00 C ATOM 264 O GLN A 16 -10.555 7.908 -10.228 1.00 0.00 O ATOM 265 CB GLN A 16 -8.227 7.147 -12.381 1.00 0.00 C ATOM 266 CG GLN A 16 -6.764 7.359 -12.712 1.00 0.00 C ATOM 267 CD GLN A 16 -6.535 7.634 -14.184 1.00 0.00 C ATOM 268 OE1 GLN A 16 -7.448 7.504 -15.004 1.00 0.00 O ATOM 269 NE2 GLN A 16 -5.312 8.020 -14.531 1.00 0.00 N ATOM 0 H GLN A 16 -7.704 4.919 -11.336 1.00 0.00 H new ATOM 0 HA GLN A 16 -8.022 7.514 -10.274 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -8.610 6.345 -13.013 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -8.774 8.051 -12.647 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -6.380 8.194 -12.126 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -6.197 6.476 -12.418 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -4.586 8.115 -13.821 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -5.099 8.222 -15.508 1.00 0.00 H new ATOM 278 N ASN A 17 -10.762 5.836 -11.091 1.00 0.00 N ATOM 279 CA ASN A 17 -12.205 5.786 -10.922 1.00 0.00 C ATOM 280 C ASN A 17 -12.661 5.669 -9.469 1.00 0.00 C ATOM 281 O ASN A 17 -13.684 6.248 -9.100 1.00 0.00 O ATOM 282 CB ASN A 17 -12.757 4.631 -11.731 1.00 0.00 C ATOM 283 CG ASN A 17 -12.728 4.914 -13.206 1.00 0.00 C ATOM 284 OD1 ASN A 17 -12.676 6.075 -13.629 1.00 0.00 O ATOM 285 ND2 ASN A 17 -12.762 3.875 -13.999 1.00 0.00 N ATOM 0 H ASN A 17 -10.360 5.002 -11.520 1.00 0.00 H new ATOM 0 HA ASN A 17 -12.595 6.739 -11.278 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -12.177 3.732 -11.523 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -13.782 4.428 -11.421 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -12.746 4.005 -15.011 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -12.805 2.935 -13.606 1.00 0.00 H new ATOM 292 N ASP A 18 -11.924 4.926 -8.649 1.00 0.00 N ATOM 293 CA ASP A 18 -12.291 4.774 -7.250 1.00 0.00 C ATOM 294 C ASP A 18 -11.108 4.478 -6.330 1.00 0.00 C ATOM 295 O ASP A 18 -10.864 3.315 -6.008 1.00 0.00 O ATOM 296 CB ASP A 18 -13.314 3.641 -7.124 1.00 0.00 C ATOM 297 CG ASP A 18 -13.887 3.472 -5.723 1.00 0.00 C ATOM 298 OD1 ASP A 18 -13.446 4.154 -4.829 1.00 0.00 O ATOM 299 OD2 ASP A 18 -14.760 2.654 -5.557 1.00 0.00 O ATOM 0 H ASP A 18 -11.079 4.426 -8.927 1.00 0.00 H new ATOM 0 HA ASP A 18 -12.705 5.730 -6.930 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -14.133 3.826 -7.820 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -12.843 2.706 -7.427 1.00 0.00 H new ATOM 304 N PRO A 19 -10.361 5.496 -5.903 1.00 0.00 N ATOM 305 CA PRO A 19 -9.263 5.371 -4.978 1.00 0.00 C ATOM 306 C PRO A 19 -9.792 5.258 -3.548 1.00 0.00 C ATOM 307 O PRO A 19 -10.906 5.709 -3.279 1.00 0.00 O ATOM 308 CB PRO A 19 -8.512 6.679 -5.231 1.00 0.00 C ATOM 309 CG PRO A 19 -9.600 7.647 -5.622 1.00 0.00 C ATOM 310 CD PRO A 19 -10.634 6.850 -6.401 1.00 0.00 C ATOM 0 HA PRO A 19 -8.636 4.489 -5.108 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -7.980 7.014 -4.341 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -7.771 6.568 -6.023 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -10.048 8.103 -4.739 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -9.197 8.457 -6.230 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -11.653 7.173 -6.187 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -10.494 6.931 -7.479 1.00 0.00 H new ATOM 318 N PRO A 20 -9.036 4.666 -2.627 1.00 0.00 N ATOM 319 CA PRO A 20 -9.372 4.562 -1.229 1.00 0.00 C ATOM 320 C PRO A 20 -9.227 5.934 -0.562 1.00 0.00 C ATOM 321 O PRO A 20 -8.576 6.811 -1.134 1.00 0.00 O ATOM 322 CB PRO A 20 -8.351 3.524 -0.756 1.00 0.00 C ATOM 323 CG PRO A 20 -7.192 3.681 -1.693 1.00 0.00 C ATOM 324 CD PRO A 20 -7.778 4.057 -3.045 1.00 0.00 C ATOM 0 HA PRO A 20 -10.395 4.264 -0.997 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -8.053 3.703 0.277 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -8.762 2.515 -0.799 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -6.508 4.452 -1.338 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -6.620 2.755 -1.762 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -7.143 4.752 -3.594 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -7.930 3.189 -3.687 1.00 0.00 H new ATOM 332 N PRO A 21 -9.834 6.142 0.609 1.00 0.00 N ATOM 333 CA PRO A 21 -9.817 7.387 1.345 1.00 0.00 C ATOM 334 C PRO A 21 -8.436 7.992 1.533 1.00 0.00 C ATOM 335 O PRO A 21 -7.545 7.382 2.122 1.00 0.00 O ATOM 336 CB PRO A 21 -10.411 6.929 2.682 1.00 0.00 C ATOM 337 CG PRO A 21 -11.312 5.785 2.314 1.00 0.00 C ATOM 338 CD PRO A 21 -10.576 5.036 1.227 1.00 0.00 C ATOM 0 HA PRO A 21 -10.352 8.187 0.833 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -9.632 6.615 3.377 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -10.966 7.732 3.167 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -11.505 5.143 3.174 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -12.279 6.143 1.960 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -9.917 4.264 1.626 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -11.253 4.547 0.527 1.00 0.00 H new ATOM 346 N GLY A 22 -8.281 9.215 1.037 1.00 0.00 N ATOM 347 CA GLY A 22 -7.029 9.949 1.151 1.00 0.00 C ATOM 348 C GLY A 22 -5.999 9.606 0.077 1.00 0.00 C ATOM 349 O GLY A 22 -4.856 10.045 0.182 1.00 0.00 O ATOM 0 H GLY A 22 -9.018 9.722 0.547 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -7.242 11.017 1.105 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -6.594 9.752 2.131 1.00 0.00 H new ATOM 353 N MET A 23 -6.364 8.817 -0.937 1.00 0.00 N ATOM 354 CA MET A 23 -5.394 8.445 -1.967 1.00 0.00 C ATOM 355 C MET A 23 -5.441 9.158 -3.320 1.00 0.00 C ATOM 356 O MET A 23 -6.482 9.226 -3.976 1.00 0.00 O ATOM 357 CB MET A 23 -5.497 6.948 -2.205 1.00 0.00 C ATOM 358 CG MET A 23 -4.585 6.448 -3.306 1.00 0.00 C ATOM 359 SD MET A 23 -4.523 4.651 -3.408 1.00 0.00 S ATOM 360 CE MET A 23 -3.697 4.305 -4.945 1.00 0.00 C ATOM 0 H MET A 23 -7.300 8.432 -1.065 1.00 0.00 H new ATOM 0 HA MET A 23 -4.444 8.776 -1.547 1.00 0.00 H new ATOM 0 HB2 MET A 23 -5.258 6.424 -1.280 1.00 0.00 H new ATOM 0 HB3 MET A 23 -6.528 6.698 -2.456 1.00 0.00 H new ATOM 0 HG2 MET A 23 -4.924 6.849 -4.261 1.00 0.00 H new ATOM 0 HG3 MET A 23 -3.579 6.832 -3.139 1.00 0.00 H new ATOM 0 HE1 MET A 23 -3.445 3.246 -4.992 1.00 0.00 H new ATOM 0 HE2 MET A 23 -4.354 4.559 -5.777 1.00 0.00 H new ATOM 0 HE3 MET A 23 -2.785 4.898 -5.009 1.00 0.00 H new ATOM 370 N THR A 24 -4.274 9.683 -3.719 1.00 0.00 N ATOM 371 CA THR A 24 -4.070 10.378 -4.996 1.00 0.00 C ATOM 372 C THR A 24 -2.910 9.779 -5.805 1.00 0.00 C ATOM 373 O THR A 24 -1.827 9.493 -5.294 1.00 0.00 O ATOM 374 CB THR A 24 -3.820 11.888 -4.782 1.00 0.00 C ATOM 375 OG1 THR A 24 -4.959 12.478 -4.141 1.00 0.00 O ATOM 376 CG2 THR A 24 -3.569 12.594 -6.107 1.00 0.00 C ATOM 0 H THR A 24 -3.428 9.635 -3.151 1.00 0.00 H new ATOM 0 HA THR A 24 -4.990 10.244 -5.565 1.00 0.00 H new ATOM 0 HB THR A 24 -2.936 12.002 -4.154 1.00 0.00 H new ATOM 0 HG1 THR A 24 -4.798 13.435 -4.004 1.00 0.00 H new ATOM 0 HG21 THR A 24 -3.396 13.655 -5.927 1.00 0.00 H new ATOM 0 HG22 THR A 24 -2.693 12.161 -6.590 1.00 0.00 H new ATOM 0 HG23 THR A 24 -4.438 12.473 -6.754 1.00 0.00 H new ATOM 384 N LEU A 25 -3.139 9.594 -7.102 1.00 0.00 N ATOM 385 CA LEU A 25 -2.129 8.999 -7.972 1.00 0.00 C ATOM 386 C LEU A 25 -1.162 9.998 -8.610 1.00 0.00 C ATOM 387 O LEU A 25 -1.566 11.096 -8.993 1.00 0.00 O ATOM 388 CB LEU A 25 -2.824 8.272 -9.128 1.00 0.00 C ATOM 389 CG LEU A 25 -3.797 7.145 -8.773 1.00 0.00 C ATOM 390 CD1 LEU A 25 -4.392 6.619 -10.067 1.00 0.00 C ATOM 391 CD2 LEU A 25 -3.094 6.046 -8.006 1.00 0.00 C ATOM 0 H LEU A 25 -4.009 9.846 -7.571 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.551 8.339 -7.324 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.368 9.014 -9.713 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.052 7.858 -9.777 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.590 7.521 -8.127 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.091 5.813 -9.845 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.918 7.424 -10.579 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.595 6.242 -10.707 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.807 5.257 -7.765 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.289 5.635 -8.615 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.679 6.454 -7.084 1.00 0.00 H new ATOM 403 N ASN A 26 0.107 9.608 -8.729 1.00 0.00 N ATOM 404 CA ASN A 26 1.123 10.402 -9.412 1.00 0.00 C ATOM 405 C ASN A 26 1.795 9.577 -10.508 1.00 0.00 C ATOM 406 O ASN A 26 2.578 8.648 -10.277 1.00 0.00 O ATOM 407 CB ASN A 26 2.140 10.973 -8.449 1.00 0.00 C ATOM 408 CG ASN A 26 1.560 12.016 -7.537 1.00 0.00 C ATOM 409 OD1 ASN A 26 1.175 13.101 -7.990 1.00 0.00 O ATOM 410 ND2 ASN A 26 1.497 11.714 -6.269 1.00 0.00 N ATOM 0 H ASN A 26 0.459 8.728 -8.352 1.00 0.00 H new ATOM 0 HA ASN A 26 0.623 11.251 -9.877 1.00 0.00 H new ATOM 0 HB2 ASN A 26 2.558 10.165 -7.849 1.00 0.00 H new ATOM 0 HB3 ASN A 26 2.963 11.409 -9.014 1.00 0.00 H new ATOM 0 HD21 ASN A 26 1.117 12.387 -5.603 1.00 0.00 H new ATOM 0 HD22 ASN A 26 1.828 10.805 -5.944 1.00 0.00 H new ATOM 542 N THR A 35 5.273 1.190 -14.202 1.00 0.00 N ATOM 543 CA THR A 35 5.605 0.220 -13.168 1.00 0.00 C ATOM 544 C THR A 35 6.249 0.895 -11.968 1.00 0.00 C ATOM 545 O THR A 35 6.352 0.313 -10.892 1.00 0.00 O ATOM 546 CB THR A 35 6.540 -0.861 -13.724 1.00 0.00 C ATOM 547 OG1 THR A 35 7.757 -0.253 -14.181 1.00 0.00 O ATOM 548 CG2 THR A 35 5.862 -1.594 -14.871 1.00 0.00 C ATOM 0 HA THR A 35 4.676 -0.248 -12.841 1.00 0.00 H new ATOM 0 HB THR A 35 6.770 -1.578 -12.936 1.00 0.00 H new ATOM 0 HG1 THR A 35 7.581 0.675 -14.443 1.00 0.00 H new ATOM 0 HG21 THR A 35 6.533 -2.360 -15.260 1.00 0.00 H new ATOM 0 HG22 THR A 35 4.945 -2.062 -14.512 1.00 0.00 H new ATOM 0 HG23 THR A 35 5.621 -0.886 -15.664 1.00 0.00 H new ATOM 556 N GLN A 36 6.727 2.116 -12.163 1.00 0.00 N ATOM 557 CA GLN A 36 7.244 2.923 -11.070 1.00 0.00 C ATOM 558 C GLN A 36 6.147 3.938 -10.815 1.00 0.00 C ATOM 559 O GLN A 36 5.887 4.782 -11.674 1.00 0.00 O ATOM 560 CB GLN A 36 8.573 3.586 -11.424 1.00 0.00 C ATOM 561 CG GLN A 36 9.174 4.410 -10.302 1.00 0.00 C ATOM 562 CD GLN A 36 10.515 5.011 -10.677 1.00 0.00 C ATOM 563 OE1 GLN A 36 10.912 5.024 -11.847 1.00 0.00 O ATOM 564 NE2 GLN A 36 11.229 5.519 -9.678 1.00 0.00 N ATOM 0 H GLN A 36 6.767 2.571 -13.075 1.00 0.00 H new ATOM 0 HA GLN A 36 7.470 2.328 -10.185 1.00 0.00 H new ATOM 0 HB2 GLN A 36 9.285 2.814 -11.715 1.00 0.00 H new ATOM 0 HB3 GLN A 36 8.426 4.228 -12.293 1.00 0.00 H new ATOM 0 HG2 GLN A 36 8.484 5.209 -10.033 1.00 0.00 H new ATOM 0 HG3 GLN A 36 9.295 3.782 -9.419 1.00 0.00 H new ATOM 0 HE21 GLN A 36 10.866 5.489 -8.725 1.00 0.00 H new ATOM 0 HE22 GLN A 36 12.140 5.939 -9.864 1.00 0.00 H new ATOM 573 N TRP A 37 5.499 3.872 -9.656 1.00 0.00 N ATOM 574 CA TRP A 37 4.387 4.790 -9.469 1.00 0.00 C ATOM 575 C TRP A 37 4.366 5.424 -8.081 1.00 0.00 C ATOM 576 O TRP A 37 4.736 4.799 -7.086 1.00 0.00 O ATOM 577 CB TRP A 37 3.094 4.016 -9.702 1.00 0.00 C ATOM 578 CG TRP A 37 1.900 4.876 -9.930 1.00 0.00 C ATOM 579 CD1 TRP A 37 1.044 5.388 -9.011 1.00 0.00 C ATOM 580 CD2 TRP A 37 1.406 5.296 -11.223 1.00 0.00 C ATOM 581 NE1 TRP A 37 0.067 6.111 -9.635 1.00 0.00 N ATOM 582 CE2 TRP A 37 0.262 6.060 -10.988 1.00 0.00 C ATOM 583 CE3 TRP A 37 1.838 5.083 -12.538 1.00 0.00 C ATOM 584 CZ2 TRP A 37 -0.478 6.609 -12.021 1.00 0.00 C ATOM 585 CZ3 TRP A 37 1.098 5.631 -13.576 1.00 0.00 C ATOM 586 CH2 TRP A 37 -0.031 6.371 -13.321 1.00 0.00 C ATOM 0 H TRP A 37 5.705 3.239 -8.883 1.00 0.00 H new ATOM 0 HA TRP A 37 4.497 5.609 -10.180 1.00 0.00 H new ATOM 0 HB2 TRP A 37 3.226 3.361 -10.563 1.00 0.00 H new ATOM 0 HB3 TRP A 37 2.907 3.375 -8.840 1.00 0.00 H new ATOM 0 HD1 TRP A 37 1.123 5.245 -7.943 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -0.689 6.610 -9.166 1.00 0.00 H new ATOM 0 HE3 TRP A 37 2.728 4.505 -12.740 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -1.364 7.197 -11.829 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 1.413 5.474 -14.597 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -0.588 6.780 -14.151 1.00 0.00 H new ATOM 597 N ILE A 38 3.916 6.677 -7.999 1.00 0.00 N ATOM 598 CA ILE A 38 3.894 7.360 -6.715 1.00 0.00 C ATOM 599 C ILE A 38 2.480 7.632 -6.217 1.00 0.00 C ATOM 600 O ILE A 38 1.604 8.079 -6.955 1.00 0.00 O ATOM 601 CB ILE A 38 4.707 8.662 -6.781 1.00 0.00 C ATOM 602 CG1 ILE A 38 6.172 8.331 -7.077 1.00 0.00 C ATOM 603 CG2 ILE A 38 4.558 9.437 -5.482 1.00 0.00 C ATOM 604 CD1 ILE A 38 7.006 9.548 -7.400 1.00 0.00 C ATOM 0 H ILE A 38 3.571 7.224 -8.788 1.00 0.00 H new ATOM 0 HA ILE A 38 4.357 6.688 -5.992 1.00 0.00 H new ATOM 0 HB ILE A 38 4.330 9.294 -7.585 1.00 0.00 H new ATOM 0 HG12 ILE A 38 6.603 7.822 -6.215 1.00 0.00 H new ATOM 0 HG13 ILE A 38 6.218 7.635 -7.915 1.00 0.00 H new ATOM 0 HG21 ILE A 38 5.138 10.358 -5.539 1.00 0.00 H new ATOM 0 HG22 ILE A 38 3.507 9.679 -5.321 1.00 0.00 H new ATOM 0 HG23 ILE A 38 4.921 8.830 -4.653 1.00 0.00 H new ATOM 0 HD11 ILE A 38 8.033 9.243 -7.599 1.00 0.00 H new ATOM 0 HD12 ILE A 38 6.598 10.046 -8.280 1.00 0.00 H new ATOM 0 HD13 ILE A 38 6.990 10.235 -6.554 1.00 0.00 H new ATOM 616 N VAL A 39 2.242 7.299 -4.956 1.00 0.00 N ATOM 617 CA VAL A 39 0.939 7.509 -4.341 1.00 0.00 C ATOM 618 C VAL A 39 0.938 8.400 -3.105 1.00 0.00 C ATOM 619 O VAL A 39 1.724 8.220 -2.179 1.00 0.00 O ATOM 620 CB VAL A 39 0.320 6.153 -3.979 1.00 0.00 C ATOM 621 CG1 VAL A 39 -0.980 6.367 -3.245 1.00 0.00 C ATOM 622 CG2 VAL A 39 0.057 5.365 -5.252 1.00 0.00 C ATOM 0 H VAL A 39 2.937 6.881 -4.337 1.00 0.00 H new ATOM 0 HA VAL A 39 0.351 8.040 -5.090 1.00 0.00 H new ATOM 0 HB VAL A 39 1.008 5.600 -3.340 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.417 5.402 -2.990 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.794 6.934 -2.333 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.670 6.921 -3.881 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.383 4.401 -4.999 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.631 5.921 -5.889 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.996 5.207 -5.783 1.00 0.00 H new ATOM 632 N ASP A 40 0.049 9.388 -3.091 1.00 0.00 N ATOM 633 CA ASP A 40 -0.072 10.265 -1.937 1.00 0.00 C ATOM 634 C ASP A 40 -1.146 9.700 -1.025 1.00 0.00 C ATOM 635 O ASP A 40 -2.250 9.410 -1.480 1.00 0.00 O ATOM 636 CB ASP A 40 -0.406 11.692 -2.355 1.00 0.00 C ATOM 637 CG ASP A 40 0.759 12.364 -3.060 1.00 0.00 C ATOM 638 OD1 ASP A 40 1.884 12.083 -2.723 1.00 0.00 O ATOM 639 OD2 ASP A 40 0.515 13.135 -3.957 1.00 0.00 O ATOM 0 H ASP A 40 -0.590 9.598 -3.857 1.00 0.00 H new ATOM 0 HA ASP A 40 0.881 10.309 -1.410 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -1.273 11.683 -3.015 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -0.681 12.273 -1.475 1.00 0.00 H new ATOM 644 N MET A 41 -0.824 9.520 0.251 1.00 0.00 N ATOM 645 CA MET A 41 -1.792 8.997 1.208 1.00 0.00 C ATOM 646 C MET A 41 -2.016 9.871 2.430 1.00 0.00 C ATOM 647 O MET A 41 -1.149 9.949 3.293 1.00 0.00 O ATOM 648 CB MET A 41 -1.366 7.617 1.682 1.00 0.00 C ATOM 649 CG MET A 41 -2.333 7.023 2.695 1.00 0.00 C ATOM 650 SD MET A 41 -1.839 5.382 3.235 1.00 0.00 S ATOM 651 CE MET A 41 -2.264 4.490 1.746 1.00 0.00 C ATOM 0 H MET A 41 0.094 9.727 0.645 1.00 0.00 H new ATOM 0 HA MET A 41 -2.736 8.966 0.663 1.00 0.00 H new ATOM 0 HB2 MET A 41 -1.289 6.950 0.824 1.00 0.00 H new ATOM 0 HB3 MET A 41 -0.373 7.680 2.127 1.00 0.00 H new ATOM 0 HG2 MET A 41 -2.399 7.683 3.560 1.00 0.00 H new ATOM 0 HG3 MET A 41 -3.329 6.973 2.256 1.00 0.00 H new ATOM 0 HE1 MET A 41 -2.114 3.422 1.906 1.00 0.00 H new ATOM 0 HE2 MET A 41 -3.308 4.677 1.496 1.00 0.00 H new ATOM 0 HE3 MET A 41 -1.629 4.826 0.927 1.00 0.00 H new ATOM 661 N GLU A 42 -3.164 10.539 2.504 1.00 0.00 N ATOM 662 CA GLU A 42 -3.462 11.371 3.664 1.00 0.00 C ATOM 663 C GLU A 42 -4.026 10.519 4.799 1.00 0.00 C ATOM 664 O GLU A 42 -4.937 9.719 4.575 1.00 0.00 O ATOM 665 CB GLU A 42 -4.439 12.485 3.301 1.00 0.00 C ATOM 666 CG GLU A 42 -4.712 13.452 4.444 1.00 0.00 C ATOM 667 CD GLU A 42 -5.618 14.584 4.046 1.00 0.00 C ATOM 668 OE1 GLU A 42 -5.971 14.657 2.893 1.00 0.00 O ATOM 669 OE2 GLU A 42 -5.955 15.381 4.890 1.00 0.00 O ATOM 0 H GLU A 42 -3.891 10.522 1.788 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.532 11.831 3.999 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -4.043 13.042 2.452 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.381 12.040 2.979 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.161 12.908 5.275 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.767 13.858 4.804 1.00 0.00 H new ATOM 676 N GLY A 43 -3.480 10.676 6.005 1.00 0.00 N ATOM 677 CA GLY A 43 -3.942 9.909 7.155 1.00 0.00 C ATOM 678 C GLY A 43 -5.388 10.208 7.529 1.00 0.00 C ATOM 679 O GLY A 43 -5.840 11.356 7.521 1.00 0.00 O ATOM 0 H GLY A 43 -2.720 11.326 6.208 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -3.841 8.845 6.939 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -3.300 10.123 8.009 1.00 0.00 H new ATOM 683 N ALA A 44 -6.073 9.140 7.929 1.00 0.00 N ATOM 684 CA ALA A 44 -7.490 9.142 8.266 1.00 0.00 C ATOM 685 C ALA A 44 -7.829 9.912 9.554 1.00 0.00 C ATOM 686 O ALA A 44 -7.023 9.915 10.492 1.00 0.00 O ATOM 687 CB ALA A 44 -7.975 7.707 8.412 1.00 0.00 C ATOM 0 H ALA A 44 -5.642 8.221 8.030 1.00 0.00 H new ATOM 0 HA ALA A 44 -7.995 9.658 7.449 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -9.035 7.705 8.664 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.825 7.175 7.473 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -7.413 7.212 9.204 1.00 0.00 H new ATOM 693 N PRO A 45 -9.008 10.558 9.601 1.00 0.00 N ATOM 694 CA PRO A 45 -9.517 11.293 10.739 1.00 0.00 C ATOM 695 C PRO A 45 -9.547 10.512 12.035 1.00 0.00 C ATOM 696 O PRO A 45 -10.066 9.396 12.093 1.00 0.00 O ATOM 697 CB PRO A 45 -10.932 11.634 10.260 1.00 0.00 C ATOM 698 CG PRO A 45 -10.806 11.720 8.770 1.00 0.00 C ATOM 699 CD PRO A 45 -9.827 10.643 8.382 1.00 0.00 C ATOM 0 HA PRO A 45 -8.888 12.145 10.997 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -11.648 10.867 10.555 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -11.280 12.575 10.685 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -11.770 11.566 8.286 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -10.449 12.703 8.463 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -10.322 9.700 8.151 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -9.237 10.917 7.507 1.00 0.00 H new ATOM 707 N GLY A 46 -9.000 11.120 13.081 1.00 0.00 N ATOM 708 CA GLY A 46 -8.968 10.508 14.398 1.00 0.00 C ATOM 709 C GLY A 46 -7.737 9.642 14.643 1.00 0.00 C ATOM 710 O GLY A 46 -7.517 9.209 15.775 1.00 0.00 O ATOM 0 H GLY A 46 -8.570 12.044 13.038 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -9.006 11.292 15.154 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -9.862 9.898 14.527 1.00 0.00 H new ATOM 714 N THR A 47 -6.934 9.374 13.611 1.00 0.00 N ATOM 715 CA THR A 47 -5.762 8.540 13.820 1.00 0.00 C ATOM 716 C THR A 47 -4.585 9.394 14.221 1.00 0.00 C ATOM 717 O THR A 47 -4.619 10.624 14.145 1.00 0.00 O ATOM 718 CB THR A 47 -5.324 7.767 12.569 1.00 0.00 C ATOM 719 OG1 THR A 47 -4.832 8.693 11.593 1.00 0.00 O ATOM 720 CG2 THR A 47 -6.508 7.009 11.998 1.00 0.00 C ATOM 0 H THR A 47 -7.070 9.711 12.658 1.00 0.00 H new ATOM 0 HA THR A 47 -6.052 7.830 14.594 1.00 0.00 H new ATOM 0 HB THR A 47 -4.538 7.059 12.833 1.00 0.00 H new ATOM 0 HG1 THR A 47 -5.583 9.189 11.204 1.00 0.00 H new ATOM 0 HG21 THR A 47 -6.195 6.461 11.110 1.00 0.00 H new ATOM 0 HG22 THR A 47 -6.885 6.308 12.743 1.00 0.00 H new ATOM 0 HG23 THR A 47 -7.296 7.713 11.731 1.00 0.00 H new ATOM 728 N LEU A 48 -3.501 8.717 14.569 1.00 0.00 N ATOM 729 CA LEU A 48 -2.260 9.369 14.950 1.00 0.00 C ATOM 730 C LEU A 48 -1.629 10.134 13.794 1.00 0.00 C ATOM 731 O LEU A 48 -0.757 10.972 14.026 1.00 0.00 O ATOM 732 CB LEU A 48 -1.244 8.333 15.442 1.00 0.00 C ATOM 733 CG LEU A 48 -1.586 7.609 16.746 1.00 0.00 C ATOM 734 CD1 LEU A 48 -0.539 6.531 16.998 1.00 0.00 C ATOM 735 CD2 LEU A 48 -1.627 8.618 17.883 1.00 0.00 C ATOM 0 H LEU A 48 -3.458 7.698 14.595 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.513 10.074 15.742 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.113 7.585 14.660 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -0.283 8.831 15.570 1.00 0.00 H new ATOM 0 HG LEU A 48 -2.565 7.134 16.679 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -0.772 6.007 17.925 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.541 5.822 16.170 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.445 6.992 17.079 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -1.870 8.107 18.814 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.654 9.100 17.977 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.386 9.372 17.674 1.00 0.00 H new ATOM 747 N TYR A 49 -2.051 9.861 12.555 1.00 0.00 N ATOM 748 CA TYR A 49 -1.462 10.540 11.428 1.00 0.00 C ATOM 749 C TYR A 49 -2.507 11.329 10.661 1.00 0.00 C ATOM 750 O TYR A 49 -2.301 11.581 9.475 1.00 0.00 O ATOM 751 CB TYR A 49 -0.759 9.510 10.546 1.00 0.00 C ATOM 752 CG TYR A 49 0.312 8.830 11.365 1.00 0.00 C ATOM 753 CD1 TYR A 49 1.439 9.554 11.715 1.00 0.00 C ATOM 754 CD2 TYR A 49 0.155 7.521 11.802 1.00 0.00 C ATOM 755 CE1 TYR A 49 2.407 8.974 12.502 1.00 0.00 C ATOM 756 CE2 TYR A 49 1.130 6.935 12.590 1.00 0.00 C ATOM 757 CZ TYR A 49 2.253 7.677 12.940 1.00 0.00 C ATOM 758 OH TYR A 49 3.241 7.147 13.733 1.00 0.00 O ATOM 0 H TYR A 49 -2.782 9.188 12.324 1.00 0.00 H new ATOM 0 HA TYR A 49 -0.725 11.264 11.776 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -1.475 8.777 10.175 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -0.319 9.995 9.674 1.00 0.00 H new ATOM 0 HD1 TYR A 49 1.558 10.571 11.371 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -0.727 6.961 11.527 1.00 0.00 H new ATOM 0 HE1 TYR A 49 3.288 9.536 12.776 1.00 0.00 H new ATOM 0 HE2 TYR A 49 1.020 5.915 12.929 1.00 0.00 H new ATOM 0 HH TYR A 49 3.024 6.216 13.947 1.00 0.00 H new ATOM 768 N GLU A 50 -3.610 11.713 11.318 1.00 0.00 N ATOM 769 CA GLU A 50 -4.629 12.502 10.637 1.00 0.00 C ATOM 770 C GLU A 50 -4.075 13.730 9.944 1.00 0.00 C ATOM 771 O GLU A 50 -3.501 14.613 10.585 1.00 0.00 O ATOM 772 CB GLU A 50 -5.701 12.973 11.620 1.00 0.00 C ATOM 773 CG GLU A 50 -6.757 13.854 10.962 1.00 0.00 C ATOM 774 CD GLU A 50 -7.828 14.337 11.903 1.00 0.00 C ATOM 775 OE1 GLU A 50 -7.957 13.781 12.968 1.00 0.00 O ATOM 776 OE2 GLU A 50 -8.521 15.264 11.557 1.00 0.00 O ATOM 0 H GLU A 50 -3.811 11.494 12.294 1.00 0.00 H new ATOM 0 HA GLU A 50 -5.049 11.836 9.884 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -6.185 12.105 12.067 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -5.227 13.526 12.431 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -6.266 14.718 10.513 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -7.225 13.297 10.151 1.00 0.00 H new ATOM 783 N GLY A 51 -4.276 13.796 8.631 1.00 0.00 N ATOM 784 CA GLY A 51 -3.817 14.938 7.851 1.00 0.00 C ATOM 785 C GLY A 51 -2.386 14.813 7.323 1.00 0.00 C ATOM 786 O GLY A 51 -1.972 15.619 6.487 1.00 0.00 O ATOM 0 H GLY A 51 -4.751 13.075 8.088 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.491 15.079 7.006 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.886 15.834 8.468 1.00 0.00 H new ATOM 790 N GLU A 52 -1.626 13.825 7.794 1.00 0.00 N ATOM 791 CA GLU A 52 -0.260 13.653 7.326 1.00 0.00 C ATOM 792 C GLU A 52 -0.304 13.009 5.972 1.00 0.00 C ATOM 793 O GLU A 52 -1.044 12.052 5.774 1.00 0.00 O ATOM 794 CB GLU A 52 0.563 12.769 8.269 1.00 0.00 C ATOM 795 CG GLU A 52 0.835 13.339 9.647 1.00 0.00 C ATOM 796 CD GLU A 52 1.808 14.484 9.601 1.00 0.00 C ATOM 797 OE1 GLU A 52 2.708 14.453 8.794 1.00 0.00 O ATOM 798 OE2 GLU A 52 1.652 15.396 10.379 1.00 0.00 O ATOM 0 H GLU A 52 -1.931 13.143 8.489 1.00 0.00 H new ATOM 0 HA GLU A 52 0.216 14.633 7.288 1.00 0.00 H new ATOM 0 HB2 GLU A 52 0.045 11.817 8.387 1.00 0.00 H new ATOM 0 HB3 GLU A 52 1.519 12.554 7.791 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -0.101 13.677 10.091 1.00 0.00 H new ATOM 0 HG3 GLU A 52 1.229 12.554 10.293 1.00 0.00 H new ATOM 805 N LYS A 53 0.474 13.510 5.028 1.00 0.00 N ATOM 806 CA LYS A 53 0.443 12.864 3.732 1.00 0.00 C ATOM 807 C LYS A 53 1.725 12.088 3.550 1.00 0.00 C ATOM 808 O LYS A 53 2.821 12.598 3.790 1.00 0.00 O ATOM 809 CB LYS A 53 0.211 13.884 2.625 1.00 0.00 C ATOM 810 CG LYS A 53 -1.169 14.518 2.733 1.00 0.00 C ATOM 811 CD LYS A 53 -1.452 15.507 1.617 1.00 0.00 C ATOM 812 CE LYS A 53 -2.841 16.110 1.778 1.00 0.00 C ATOM 813 NZ LYS A 53 -3.152 17.092 0.703 1.00 0.00 N ATOM 0 H LYS A 53 1.098 14.311 5.123 1.00 0.00 H new ATOM 0 HA LYS A 53 -0.392 12.165 3.677 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.975 14.660 2.678 1.00 0.00 H new ATOM 0 HB3 LYS A 53 0.315 13.399 1.654 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -1.926 13.734 2.718 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -1.256 15.026 3.693 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -0.702 16.298 1.626 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -1.376 15.007 0.652 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -3.585 15.314 1.768 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -2.913 16.601 2.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -4.106 17.478 0.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -2.458 17.866 0.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -3.109 16.619 -0.222 1.00 0.00 H new ATOM 827 N PHE A 54 1.569 10.849 3.117 1.00 0.00 N ATOM 828 CA PHE A 54 2.704 9.979 2.931 1.00 0.00 C ATOM 829 C PHE A 54 2.955 9.707 1.465 1.00 0.00 C ATOM 830 O PHE A 54 2.032 9.684 0.656 1.00 0.00 O ATOM 831 CB PHE A 54 2.412 8.679 3.664 1.00 0.00 C ATOM 832 CG PHE A 54 2.252 8.917 5.136 1.00 0.00 C ATOM 833 CD1 PHE A 54 3.358 9.124 5.939 1.00 0.00 C ATOM 834 CD2 PHE A 54 0.991 8.971 5.712 1.00 0.00 C ATOM 835 CE1 PHE A 54 3.213 9.374 7.287 1.00 0.00 C ATOM 836 CE2 PHE A 54 0.843 9.215 7.063 1.00 0.00 C ATOM 837 CZ PHE A 54 1.957 9.417 7.848 1.00 0.00 C ATOM 0 H PHE A 54 0.668 10.429 2.890 1.00 0.00 H new ATOM 0 HA PHE A 54 3.601 10.455 3.327 1.00 0.00 H new ATOM 0 HB2 PHE A 54 1.504 8.228 3.264 1.00 0.00 H new ATOM 0 HB3 PHE A 54 3.222 7.970 3.492 1.00 0.00 H new ATOM 0 HD1 PHE A 54 4.347 9.089 5.506 1.00 0.00 H new ATOM 0 HD2 PHE A 54 0.116 8.821 5.097 1.00 0.00 H new ATOM 0 HE1 PHE A 54 4.085 9.536 7.903 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -0.143 9.247 7.503 1.00 0.00 H new ATOM 0 HZ PHE A 54 1.845 9.609 8.905 1.00 0.00 H new ATOM 847 N GLN A 55 4.220 9.506 1.118 1.00 0.00 N ATOM 848 CA GLN A 55 4.576 9.208 -0.261 1.00 0.00 C ATOM 849 C GLN A 55 4.876 7.727 -0.400 1.00 0.00 C ATOM 850 O GLN A 55 5.821 7.215 0.194 1.00 0.00 O ATOM 851 CB GLN A 55 5.776 10.045 -0.707 1.00 0.00 C ATOM 852 CG GLN A 55 6.188 9.839 -2.153 1.00 0.00 C ATOM 853 CD GLN A 55 7.337 10.742 -2.563 1.00 0.00 C ATOM 854 OE1 GLN A 55 7.846 11.523 -1.753 1.00 0.00 O ATOM 855 NE2 GLN A 55 7.755 10.647 -3.819 1.00 0.00 N ATOM 0 H GLN A 55 5.008 9.543 1.765 1.00 0.00 H new ATOM 0 HA GLN A 55 3.735 9.463 -0.905 1.00 0.00 H new ATOM 0 HB2 GLN A 55 5.543 11.099 -0.556 1.00 0.00 H new ATOM 0 HB3 GLN A 55 6.625 9.811 -0.064 1.00 0.00 H new ATOM 0 HG2 GLN A 55 6.477 8.798 -2.301 1.00 0.00 H new ATOM 0 HG3 GLN A 55 5.333 10.027 -2.802 1.00 0.00 H new ATOM 0 HE21 GLN A 55 7.308 9.989 -4.457 1.00 0.00 H new ATOM 0 HE22 GLN A 55 8.524 11.232 -4.146 1.00 0.00 H new ATOM 864 N LEU A 56 4.062 7.018 -1.164 1.00 0.00 N ATOM 865 CA LEU A 56 4.317 5.604 -1.357 1.00 0.00 C ATOM 866 C LEU A 56 4.914 5.329 -2.720 1.00 0.00 C ATOM 867 O LEU A 56 4.503 5.893 -3.733 1.00 0.00 O ATOM 868 CB LEU A 56 3.029 4.800 -1.220 1.00 0.00 C ATOM 869 CG LEU A 56 2.302 4.863 0.120 1.00 0.00 C ATOM 870 CD1 LEU A 56 1.000 4.090 0.002 1.00 0.00 C ATOM 871 CD2 LEU A 56 3.192 4.256 1.187 1.00 0.00 C ATOM 0 H LEU A 56 3.243 7.386 -1.647 1.00 0.00 H new ATOM 0 HA LEU A 56 5.028 5.302 -0.588 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.339 5.135 -1.994 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.260 3.756 -1.429 1.00 0.00 H new ATOM 0 HG LEU A 56 2.078 5.894 0.394 1.00 0.00 H new ATOM 0 HD11 LEU A 56 0.468 4.126 0.953 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.381 4.536 -0.777 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.215 3.053 -0.255 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.684 4.295 2.150 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.409 3.218 0.933 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.124 4.818 1.246 1.00 0.00 H new ATOM 883 N LEU A 57 5.885 4.433 -2.742 1.00 0.00 N ATOM 884 CA LEU A 57 6.487 4.031 -3.993 1.00 0.00 C ATOM 885 C LEU A 57 6.064 2.616 -4.294 1.00 0.00 C ATOM 886 O LEU A 57 6.271 1.705 -3.492 1.00 0.00 O ATOM 887 CB LEU A 57 8.014 4.112 -3.965 1.00 0.00 C ATOM 888 CG LEU A 57 8.681 3.614 -5.258 1.00 0.00 C ATOM 889 CD1 LEU A 57 8.281 4.520 -6.419 1.00 0.00 C ATOM 890 CD2 LEU A 57 10.190 3.606 -5.075 1.00 0.00 C ATOM 0 H LEU A 57 6.268 3.976 -1.914 1.00 0.00 H new ATOM 0 HA LEU A 57 6.146 4.719 -4.767 1.00 0.00 H new ATOM 0 HB2 LEU A 57 8.311 5.146 -3.788 1.00 0.00 H new ATOM 0 HB3 LEU A 57 8.385 3.525 -3.125 1.00 0.00 H new ATOM 0 HG LEU A 57 8.351 2.599 -5.481 1.00 0.00 H new ATOM 0 HD11 LEU A 57 8.754 4.167 -7.336 1.00 0.00 H new ATOM 0 HD12 LEU A 57 7.198 4.501 -6.539 1.00 0.00 H new ATOM 0 HD13 LEU A 57 8.605 5.540 -6.213 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.666 3.253 -5.990 1.00 0.00 H new ATOM 0 HD22 LEU A 57 10.535 4.616 -4.853 1.00 0.00 H new ATOM 0 HD23 LEU A 57 10.453 2.943 -4.251 1.00 0.00 H new ATOM 902 N PHE A 58 5.436 2.460 -5.448 1.00 0.00 N ATOM 903 CA PHE A 58 4.997 1.172 -5.933 1.00 0.00 C ATOM 904 C PHE A 58 5.896 0.700 -7.051 1.00 0.00 C ATOM 905 O PHE A 58 6.169 1.426 -8.008 1.00 0.00 O ATOM 906 CB PHE A 58 3.549 1.250 -6.400 1.00 0.00 C ATOM 907 CG PHE A 58 2.557 1.366 -5.284 1.00 0.00 C ATOM 908 CD1 PHE A 58 2.343 2.545 -4.589 1.00 0.00 C ATOM 909 CD2 PHE A 58 1.811 0.248 -4.948 1.00 0.00 C ATOM 910 CE1 PHE A 58 1.412 2.580 -3.567 1.00 0.00 C ATOM 911 CE2 PHE A 58 0.881 0.289 -3.931 1.00 0.00 C ATOM 912 CZ PHE A 58 0.684 1.460 -3.236 1.00 0.00 C ATOM 0 H PHE A 58 5.217 3.233 -6.076 1.00 0.00 H new ATOM 0 HA PHE A 58 5.056 0.450 -5.118 1.00 0.00 H new ATOM 0 HB2 PHE A 58 3.437 2.108 -7.063 1.00 0.00 H new ATOM 0 HB3 PHE A 58 3.318 0.361 -6.987 1.00 0.00 H new ATOM 0 HD1 PHE A 58 2.901 3.434 -4.844 1.00 0.00 H new ATOM 0 HD2 PHE A 58 1.961 -0.672 -5.493 1.00 0.00 H new ATOM 0 HE1 PHE A 58 1.254 3.499 -3.021 1.00 0.00 H new ATOM 0 HE2 PHE A 58 0.310 -0.593 -3.681 1.00 0.00 H new ATOM 0 HZ PHE A 58 -0.039 1.500 -2.434 1.00 0.00 H new ATOM 922 N LYS A 59 6.381 -0.524 -6.893 1.00 0.00 N ATOM 923 CA LYS A 59 7.214 -1.153 -7.899 1.00 0.00 C ATOM 924 C LYS A 59 6.465 -2.354 -8.431 1.00 0.00 C ATOM 925 O LYS A 59 6.410 -3.396 -7.777 1.00 0.00 O ATOM 926 CB LYS A 59 8.544 -1.590 -7.311 1.00 0.00 C ATOM 927 CG LYS A 59 9.419 -0.468 -6.776 1.00 0.00 C ATOM 928 CD LYS A 59 10.700 -1.070 -6.239 1.00 0.00 C ATOM 929 CE LYS A 59 11.614 -0.051 -5.585 1.00 0.00 C ATOM 930 NZ LYS A 59 12.799 -0.731 -4.998 1.00 0.00 N ATOM 0 H LYS A 59 6.208 -1.102 -6.070 1.00 0.00 H new ATOM 0 HA LYS A 59 7.427 -0.443 -8.698 1.00 0.00 H new ATOM 0 HB2 LYS A 59 8.351 -2.295 -6.502 1.00 0.00 H new ATOM 0 HB3 LYS A 59 9.101 -2.129 -8.077 1.00 0.00 H new ATOM 0 HG2 LYS A 59 9.640 0.249 -7.566 1.00 0.00 H new ATOM 0 HG3 LYS A 59 8.897 0.076 -5.989 1.00 0.00 H new ATOM 0 HD2 LYS A 59 10.453 -1.845 -5.513 1.00 0.00 H new ATOM 0 HD3 LYS A 59 11.235 -1.556 -7.055 1.00 0.00 H new ATOM 0 HE2 LYS A 59 11.935 0.686 -6.321 1.00 0.00 H new ATOM 0 HE3 LYS A 59 11.073 0.489 -4.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 13.367 -0.041 -4.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 12.483 -1.487 -4.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 13.377 -1.141 -5.760 1.00 0.00 H new ATOM 944 N PHE A 60 5.892 -2.224 -9.617 1.00 0.00 N ATOM 945 CA PHE A 60 5.115 -3.322 -10.152 1.00 0.00 C ATOM 946 C PHE A 60 6.031 -4.193 -10.996 1.00 0.00 C ATOM 947 O PHE A 60 6.848 -3.688 -11.766 1.00 0.00 O ATOM 948 CB PHE A 60 3.986 -2.751 -10.998 1.00 0.00 C ATOM 949 CG PHE A 60 3.001 -1.938 -10.201 1.00 0.00 C ATOM 950 CD1 PHE A 60 2.033 -2.543 -9.427 1.00 0.00 C ATOM 951 CD2 PHE A 60 3.047 -0.550 -10.214 1.00 0.00 C ATOM 952 CE1 PHE A 60 1.129 -1.803 -8.693 1.00 0.00 C ATOM 953 CE2 PHE A 60 2.143 0.200 -9.489 1.00 0.00 C ATOM 954 CZ PHE A 60 1.181 -0.426 -8.724 1.00 0.00 C ATOM 0 H PHE A 60 5.948 -1.395 -10.209 1.00 0.00 H new ATOM 0 HA PHE A 60 4.686 -3.926 -9.353 1.00 0.00 H new ATOM 0 HB2 PHE A 60 4.410 -2.127 -11.785 1.00 0.00 H new ATOM 0 HB3 PHE A 60 3.459 -3.569 -11.489 1.00 0.00 H new ATOM 0 HD1 PHE A 60 1.981 -3.621 -9.395 1.00 0.00 H new ATOM 0 HD2 PHE A 60 3.803 -0.049 -10.801 1.00 0.00 H new ATOM 0 HE1 PHE A 60 0.381 -2.302 -8.095 1.00 0.00 H new ATOM 0 HE2 PHE A 60 2.189 1.279 -9.521 1.00 0.00 H new ATOM 0 HZ PHE A 60 0.474 0.158 -8.154 1.00 0.00 H new ATOM 964 N SER A 61 5.904 -5.504 -10.841 1.00 0.00 N ATOM 965 CA SER A 61 6.733 -6.441 -11.588 1.00 0.00 C ATOM 966 C SER A 61 6.126 -6.791 -12.933 1.00 0.00 C ATOM 967 O SER A 61 4.985 -6.434 -13.225 1.00 0.00 O ATOM 968 CB SER A 61 6.943 -7.710 -10.787 1.00 0.00 C ATOM 969 OG SER A 61 5.759 -8.444 -10.655 1.00 0.00 O ATOM 0 H SER A 61 5.237 -5.942 -10.206 1.00 0.00 H new ATOM 0 HA SER A 61 7.690 -5.951 -11.766 1.00 0.00 H new ATOM 0 HB2 SER A 61 7.700 -8.326 -11.273 1.00 0.00 H new ATOM 0 HB3 SER A 61 7.325 -7.456 -9.798 1.00 0.00 H new ATOM 0 HG SER A 61 5.622 -8.677 -9.713 1.00 0.00 H new ATOM 975 N SER A 62 6.903 -7.485 -13.761 1.00 0.00 N ATOM 976 CA SER A 62 6.411 -7.953 -15.052 1.00 0.00 C ATOM 977 C SER A 62 5.406 -9.087 -14.862 1.00 0.00 C ATOM 978 O SER A 62 4.586 -9.353 -15.740 1.00 0.00 O ATOM 979 CB SER A 62 7.562 -8.431 -15.914 1.00 0.00 C ATOM 980 OG SER A 62 8.140 -9.589 -15.377 1.00 0.00 O ATOM 0 H SER A 62 7.872 -7.734 -13.561 1.00 0.00 H new ATOM 0 HA SER A 62 5.915 -7.120 -15.550 1.00 0.00 H new ATOM 0 HB2 SER A 62 7.206 -8.632 -16.924 1.00 0.00 H new ATOM 0 HB3 SER A 62 8.314 -7.646 -15.991 1.00 0.00 H new ATOM 0 HG SER A 62 8.880 -9.881 -15.950 1.00 0.00 H new ATOM 986 N ARG A 63 5.504 -9.770 -13.722 1.00 0.00 N ATOM 987 CA ARG A 63 4.592 -10.828 -13.326 1.00 0.00 C ATOM 988 C ARG A 63 3.297 -10.292 -12.727 1.00 0.00 C ATOM 989 O ARG A 63 2.256 -10.927 -12.898 1.00 0.00 O ATOM 990 CB ARG A 63 5.263 -11.744 -12.324 1.00 0.00 C ATOM 991 CG ARG A 63 6.373 -12.620 -12.876 1.00 0.00 C ATOM 992 CD ARG A 63 6.968 -13.396 -11.767 1.00 0.00 C ATOM 993 NE ARG A 63 8.010 -14.322 -12.159 1.00 0.00 N ATOM 994 CZ ARG A 63 8.710 -15.047 -11.264 1.00 0.00 C ATOM 995 NH1 ARG A 63 8.457 -14.918 -9.977 1.00 0.00 N ATOM 996 NH2 ARG A 63 9.646 -15.885 -11.678 1.00 0.00 N ATOM 0 H ARG A 63 6.239 -9.595 -13.036 1.00 0.00 H new ATOM 0 HA ARG A 63 4.335 -11.378 -14.231 1.00 0.00 H new ATOM 0 HB2 ARG A 63 5.672 -11.134 -11.519 1.00 0.00 H new ATOM 0 HB3 ARG A 63 4.503 -12.388 -11.881 1.00 0.00 H new ATOM 0 HG2 ARG A 63 5.979 -13.293 -13.638 1.00 0.00 H new ATOM 0 HG3 ARG A 63 7.134 -12.006 -13.357 1.00 0.00 H new ATOM 0 HD2 ARG A 63 7.378 -12.700 -11.035 1.00 0.00 H new ATOM 0 HD3 ARG A 63 6.176 -13.954 -11.268 1.00 0.00 H new ATOM 0 HE ARG A 63 8.222 -14.430 -13.151 1.00 0.00 H new ATOM 0 HH11 ARG A 63 7.734 -14.271 -9.662 1.00 0.00 H new ATOM 0 HH12 ARG A 63 8.984 -15.465 -9.296 1.00 0.00 H new ATOM 0 HH21 ARG A 63 9.838 -15.983 -12.675 1.00 0.00 H new ATOM 0 HH22 ARG A 63 10.175 -16.433 -11.000 1.00 0.00 H new ATOM 1010 N TYR A 64 3.369 -9.133 -12.064 1.00 0.00 N ATOM 1011 CA TYR A 64 2.222 -8.478 -11.444 1.00 0.00 C ATOM 1012 C TYR A 64 1.020 -8.395 -12.376 1.00 0.00 C ATOM 1013 O TYR A 64 1.160 -7.953 -13.515 1.00 0.00 O ATOM 1014 CB TYR A 64 2.600 -7.045 -11.047 1.00 0.00 C ATOM 1015 CG TYR A 64 1.436 -6.280 -10.481 1.00 0.00 C ATOM 1016 CD1 TYR A 64 1.127 -6.345 -9.137 1.00 0.00 C ATOM 1017 CD2 TYR A 64 0.649 -5.540 -11.349 1.00 0.00 C ATOM 1018 CE1 TYR A 64 0.027 -5.664 -8.658 1.00 0.00 C ATOM 1019 CE2 TYR A 64 -0.453 -4.865 -10.871 1.00 0.00 C ATOM 1020 CZ TYR A 64 -0.760 -4.929 -9.532 1.00 0.00 C ATOM 1021 OH TYR A 64 -1.857 -4.261 -9.055 1.00 0.00 O ATOM 0 H TYR A 64 4.242 -8.619 -11.944 1.00 0.00 H new ATOM 0 HA TYR A 64 1.951 -9.080 -10.577 1.00 0.00 H new ATOM 0 HB2 TYR A 64 3.404 -7.075 -10.311 1.00 0.00 H new ATOM 0 HB3 TYR A 64 2.987 -6.519 -11.920 1.00 0.00 H new ATOM 0 HD1 TYR A 64 1.742 -6.925 -8.465 1.00 0.00 H new ATOM 0 HD2 TYR A 64 0.899 -5.492 -12.399 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -0.220 -5.703 -7.607 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -1.072 -4.289 -11.544 1.00 0.00 H new ATOM 0 HH TYR A 64 -1.700 -3.996 -8.125 1.00 0.00 H new ATOM 1031 N PRO A 65 -0.189 -8.735 -11.910 1.00 0.00 N ATOM 1032 CA PRO A 65 -0.639 -9.157 -10.584 1.00 0.00 C ATOM 1033 C PRO A 65 -0.252 -10.520 -10.012 1.00 0.00 C ATOM 1034 O PRO A 65 -0.680 -10.822 -8.901 1.00 0.00 O ATOM 1035 CB PRO A 65 -2.158 -9.092 -10.791 1.00 0.00 C ATOM 1036 CG PRO A 65 -2.378 -9.314 -12.257 1.00 0.00 C ATOM 1037 CD PRO A 65 -1.218 -8.635 -12.943 1.00 0.00 C ATOM 0 HA PRO A 65 -0.158 -8.528 -9.835 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -2.667 -9.853 -10.199 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -2.555 -8.126 -10.477 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -2.406 -10.378 -12.493 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -3.329 -8.890 -12.580 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -0.929 -9.142 -13.864 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -1.441 -7.601 -13.205 1.00 0.00 H new ATOM 1045 N PHE A 66 0.503 -11.347 -10.728 1.00 0.00 N ATOM 1046 CA PHE A 66 0.902 -12.652 -10.200 1.00 0.00 C ATOM 1047 C PHE A 66 1.718 -12.479 -8.918 1.00 0.00 C ATOM 1048 O PHE A 66 1.426 -13.118 -7.905 1.00 0.00 O ATOM 1049 CB PHE A 66 1.658 -13.472 -11.243 1.00 0.00 C ATOM 1050 CG PHE A 66 2.150 -14.804 -10.767 1.00 0.00 C ATOM 1051 CD1 PHE A 66 1.290 -15.887 -10.668 1.00 0.00 C ATOM 1052 CD2 PHE A 66 3.478 -14.976 -10.422 1.00 0.00 C ATOM 1053 CE1 PHE A 66 1.754 -17.115 -10.234 1.00 0.00 C ATOM 1054 CE2 PHE A 66 3.947 -16.199 -9.988 1.00 0.00 C ATOM 1055 CZ PHE A 66 3.081 -17.271 -9.893 1.00 0.00 C ATOM 0 H PHE A 66 0.849 -11.143 -11.665 1.00 0.00 H new ATOM 0 HA PHE A 66 -0.001 -13.211 -9.954 1.00 0.00 H new ATOM 0 HB2 PHE A 66 1.006 -13.628 -12.102 1.00 0.00 H new ATOM 0 HB3 PHE A 66 2.511 -12.890 -11.592 1.00 0.00 H new ATOM 0 HD1 PHE A 66 0.249 -15.770 -10.932 1.00 0.00 H new ATOM 0 HD2 PHE A 66 4.158 -14.140 -10.493 1.00 0.00 H new ATOM 0 HE1 PHE A 66 1.076 -17.953 -10.162 1.00 0.00 H new ATOM 0 HE2 PHE A 66 4.987 -16.318 -9.724 1.00 0.00 H new ATOM 0 HZ PHE A 66 3.443 -18.230 -9.552 1.00 0.00 H new ATOM 1065 N ASP A 67 2.764 -11.658 -8.978 1.00 0.00 N ATOM 1066 CA ASP A 67 3.556 -11.318 -7.798 1.00 0.00 C ATOM 1067 C ASP A 67 3.177 -9.945 -7.246 1.00 0.00 C ATOM 1068 O ASP A 67 2.709 -9.083 -7.987 1.00 0.00 O ATOM 1069 CB ASP A 67 5.060 -11.357 -8.075 1.00 0.00 C ATOM 1070 CG ASP A 67 5.622 -12.761 -8.255 1.00 0.00 C ATOM 1071 OD1 ASP A 67 4.998 -13.695 -7.815 1.00 0.00 O ATOM 1072 OD2 ASP A 67 6.691 -12.885 -8.802 1.00 0.00 O ATOM 0 H ASP A 67 3.085 -11.213 -9.838 1.00 0.00 H new ATOM 0 HA ASP A 67 3.327 -12.079 -7.053 1.00 0.00 H new ATOM 0 HB2 ASP A 67 5.269 -10.776 -8.973 1.00 0.00 H new ATOM 0 HB3 ASP A 67 5.583 -10.870 -7.252 1.00 0.00 H new ATOM 1077 N SER A 68 3.377 -9.768 -5.939 1.00 0.00 N ATOM 1078 CA SER A 68 3.117 -8.510 -5.244 1.00 0.00 C ATOM 1079 C SER A 68 4.054 -7.411 -5.681 1.00 0.00 C ATOM 1080 O SER A 68 5.225 -7.690 -5.943 1.00 0.00 O ATOM 1081 CB SER A 68 3.311 -8.633 -3.744 1.00 0.00 C ATOM 1082 OG SER A 68 3.163 -7.389 -3.100 1.00 0.00 O ATOM 0 H SER A 68 3.729 -10.505 -5.327 1.00 0.00 H new ATOM 0 HA SER A 68 2.083 -8.271 -5.493 1.00 0.00 H new ATOM 0 HB2 SER A 68 2.588 -9.341 -3.340 1.00 0.00 H new ATOM 0 HB3 SER A 68 4.302 -9.036 -3.536 1.00 0.00 H new ATOM 0 HG SER A 68 3.911 -6.804 -3.342 1.00 0.00 H new ATOM 1088 N PRO A 69 3.582 -6.172 -5.792 1.00 0.00 N ATOM 1089 CA PRO A 69 4.428 -5.054 -6.069 1.00 0.00 C ATOM 1090 C PRO A 69 5.184 -4.759 -4.781 1.00 0.00 C ATOM 1091 O PRO A 69 4.786 -5.246 -3.715 1.00 0.00 O ATOM 1092 CB PRO A 69 3.413 -3.980 -6.453 1.00 0.00 C ATOM 1093 CG PRO A 69 2.176 -4.353 -5.675 1.00 0.00 C ATOM 1094 CD PRO A 69 2.154 -5.872 -5.612 1.00 0.00 C ATOM 0 HA PRO A 69 5.180 -5.168 -6.849 1.00 0.00 H new ATOM 0 HB2 PRO A 69 3.766 -2.984 -6.187 1.00 0.00 H new ATOM 0 HB3 PRO A 69 3.223 -3.975 -7.526 1.00 0.00 H new ATOM 0 HG2 PRO A 69 2.202 -3.923 -4.674 1.00 0.00 H new ATOM 0 HG3 PRO A 69 1.280 -3.971 -6.163 1.00 0.00 H new ATOM 0 HD2 PRO A 69 1.770 -6.241 -4.661 1.00 0.00 H new ATOM 0 HD3 PRO A 69 1.537 -6.310 -6.397 1.00 0.00 H new ATOM 1102 N GLN A 70 6.302 -4.044 -4.881 1.00 0.00 N ATOM 1103 CA GLN A 70 7.003 -3.663 -3.659 1.00 0.00 C ATOM 1104 C GLN A 70 6.391 -2.341 -3.252 1.00 0.00 C ATOM 1105 O GLN A 70 6.218 -1.457 -4.091 1.00 0.00 O ATOM 1106 CB GLN A 70 8.522 -3.540 -3.813 1.00 0.00 C ATOM 1107 CG GLN A 70 9.203 -3.226 -2.485 1.00 0.00 C ATOM 1108 CD GLN A 70 10.725 -3.195 -2.515 1.00 0.00 C ATOM 1109 OE1 GLN A 70 11.380 -2.606 -3.381 1.00 0.00 O ATOM 1110 NE2 GLN A 70 11.313 -3.861 -1.527 1.00 0.00 N ATOM 0 H GLN A 70 6.727 -3.729 -5.753 1.00 0.00 H new ATOM 0 HA GLN A 70 6.883 -4.443 -2.907 1.00 0.00 H new ATOM 0 HB2 GLN A 70 8.923 -4.470 -4.216 1.00 0.00 H new ATOM 0 HB3 GLN A 70 8.752 -2.755 -4.534 1.00 0.00 H new ATOM 0 HG2 GLN A 70 8.845 -2.258 -2.134 1.00 0.00 H new ATOM 0 HG3 GLN A 70 8.887 -3.968 -1.751 1.00 0.00 H new ATOM 0 HE21 GLN A 70 10.747 -4.338 -0.826 1.00 0.00 H new ATOM 0 HE22 GLN A 70 12.331 -3.895 -1.470 1.00 0.00 H new ATOM 1119 N VAL A 71 6.016 -2.201 -1.982 1.00 0.00 N ATOM 1120 CA VAL A 71 5.395 -0.946 -1.578 1.00 0.00 C ATOM 1121 C VAL A 71 6.128 -0.354 -0.376 1.00 0.00 C ATOM 1122 O VAL A 71 6.171 -0.982 0.683 1.00 0.00 O ATOM 1123 CB VAL A 71 3.916 -1.166 -1.230 1.00 0.00 C ATOM 1124 CG1 VAL A 71 3.304 0.178 -0.869 1.00 0.00 C ATOM 1125 CG2 VAL A 71 3.222 -1.861 -2.389 1.00 0.00 C ATOM 0 H VAL A 71 6.124 -2.902 -1.249 1.00 0.00 H new ATOM 0 HA VAL A 71 5.460 -0.247 -2.412 1.00 0.00 H new ATOM 0 HB VAL A 71 3.797 -1.820 -0.366 1.00 0.00 H new ATOM 0 HG11 VAL A 71 2.252 0.043 -0.618 1.00 0.00 H new ATOM 0 HG12 VAL A 71 3.830 0.599 -0.012 1.00 0.00 H new ATOM 0 HG13 VAL A 71 3.391 0.857 -1.717 1.00 0.00 H new ATOM 0 HG21 VAL A 71 2.172 -2.018 -2.143 1.00 0.00 H new ATOM 0 HG22 VAL A 71 3.297 -1.241 -3.282 1.00 0.00 H new ATOM 0 HG23 VAL A 71 3.699 -2.824 -2.574 1.00 0.00 H new ATOM 1135 N MET A 72 6.706 0.837 -0.537 1.00 0.00 N ATOM 1136 CA MET A 72 7.452 1.469 0.559 1.00 0.00 C ATOM 1137 C MET A 72 7.203 2.970 0.749 1.00 0.00 C ATOM 1138 O MET A 72 6.806 3.679 -0.172 1.00 0.00 O ATOM 1139 CB MET A 72 8.954 1.240 0.358 1.00 0.00 C ATOM 1140 CG MET A 72 9.396 -0.222 0.376 1.00 0.00 C ATOM 1141 SD MET A 72 11.176 -0.438 0.168 1.00 0.00 S ATOM 1142 CE MET A 72 11.817 0.065 1.760 1.00 0.00 C ATOM 0 H MET A 72 6.675 1.379 -1.401 1.00 0.00 H new ATOM 0 HA MET A 72 7.080 0.989 1.464 1.00 0.00 H new ATOM 0 HB2 MET A 72 9.248 1.680 -0.595 1.00 0.00 H new ATOM 0 HB3 MET A 72 9.495 1.776 1.138 1.00 0.00 H new ATOM 0 HG2 MET A 72 9.091 -0.674 1.320 1.00 0.00 H new ATOM 0 HG3 MET A 72 8.877 -0.760 -0.418 1.00 0.00 H new ATOM 0 HE1 MET A 72 12.906 0.011 1.747 1.00 0.00 H new ATOM 0 HE2 MET A 72 11.507 1.089 1.970 1.00 0.00 H new ATOM 0 HE3 MET A 72 11.430 -0.598 2.534 1.00 0.00 H new ATOM 1152 N PHE A 73 7.436 3.469 1.962 1.00 0.00 N ATOM 1153 CA PHE A 73 7.288 4.897 2.222 1.00 0.00 C ATOM 1154 C PHE A 73 8.562 5.595 1.749 1.00 0.00 C ATOM 1155 O PHE A 73 9.668 5.091 1.951 1.00 0.00 O ATOM 1156 CB PHE A 73 7.110 5.235 3.710 1.00 0.00 C ATOM 1157 CG PHE A 73 5.809 4.873 4.363 1.00 0.00 C ATOM 1158 CD1 PHE A 73 4.679 5.648 4.159 1.00 0.00 C ATOM 1159 CD2 PHE A 73 5.705 3.766 5.184 1.00 0.00 C ATOM 1160 CE1 PHE A 73 3.471 5.326 4.752 1.00 0.00 C ATOM 1161 CE2 PHE A 73 4.497 3.449 5.775 1.00 0.00 C ATOM 1162 CZ PHE A 73 3.380 4.219 5.562 1.00 0.00 C ATOM 0 H PHE A 73 7.724 2.914 2.768 1.00 0.00 H new ATOM 0 HA PHE A 73 6.392 5.227 1.696 1.00 0.00 H new ATOM 0 HB2 PHE A 73 7.910 4.742 4.263 1.00 0.00 H new ATOM 0 HB3 PHE A 73 7.256 6.309 3.828 1.00 0.00 H new ATOM 0 HD1 PHE A 73 4.742 6.520 3.525 1.00 0.00 H new ATOM 0 HD2 PHE A 73 6.571 3.147 5.364 1.00 0.00 H new ATOM 0 HE1 PHE A 73 2.602 5.943 4.579 1.00 0.00 H new ATOM 0 HE2 PHE A 73 4.430 2.582 6.415 1.00 0.00 H new ATOM 0 HZ PHE A 73 2.440 3.958 6.026 1.00 0.00 H new ATOM 1172 N THR A 74 8.398 6.752 1.122 1.00 0.00 N ATOM 1173 CA THR A 74 9.497 7.552 0.597 1.00 0.00 C ATOM 1174 C THR A 74 9.549 8.938 1.225 1.00 0.00 C ATOM 1175 O THR A 74 8.527 9.609 1.363 1.00 0.00 O ATOM 1176 CB THR A 74 9.377 7.687 -0.936 1.00 0.00 C ATOM 1177 OG1 THR A 74 9.441 6.387 -1.536 1.00 0.00 O ATOM 1178 CG2 THR A 74 10.486 8.559 -1.503 1.00 0.00 C ATOM 0 H THR A 74 7.481 7.169 0.961 1.00 0.00 H new ATOM 0 HA THR A 74 10.421 7.032 0.852 1.00 0.00 H new ATOM 0 HB THR A 74 8.421 8.159 -1.162 1.00 0.00 H new ATOM 0 HG1 THR A 74 9.524 6.479 -2.508 1.00 0.00 H new ATOM 0 HG21 THR A 74 10.373 8.634 -2.585 1.00 0.00 H new ATOM 0 HG22 THR A 74 10.428 9.554 -1.062 1.00 0.00 H new ATOM 0 HG23 THR A 74 11.454 8.115 -1.269 1.00 0.00 H new ATOM 1186 N GLY A 75 10.745 9.360 1.621 1.00 0.00 N ATOM 1187 CA GLY A 75 10.919 10.686 2.200 1.00 0.00 C ATOM 1188 C GLY A 75 11.245 10.644 3.683 1.00 0.00 C ATOM 1189 O GLY A 75 11.525 9.586 4.244 1.00 0.00 O ATOM 0 H GLY A 75 11.600 8.809 1.553 1.00 0.00 H new ATOM 0 HA2 GLY A 75 11.718 11.206 1.672 1.00 0.00 H new ATOM 0 HA3 GLY A 75 10.008 11.265 2.049 1.00 0.00 H new ATOM 1193 N GLU A 76 11.227 11.819 4.304 1.00 0.00 N ATOM 1194 CA GLU A 76 11.518 11.947 5.725 1.00 0.00 C ATOM 1195 C GLU A 76 10.312 11.652 6.608 1.00 0.00 C ATOM 1196 O GLU A 76 10.473 11.239 7.757 1.00 0.00 O ATOM 1197 CB GLU A 76 12.032 13.354 6.027 1.00 0.00 C ATOM 1198 CG GLU A 76 13.388 13.665 5.412 1.00 0.00 C ATOM 1199 CD GLU A 76 13.858 15.062 5.705 1.00 0.00 C ATOM 1200 OE1 GLU A 76 13.102 15.817 6.270 1.00 0.00 O ATOM 1201 OE2 GLU A 76 14.974 15.375 5.365 1.00 0.00 O ATOM 0 H GLU A 76 11.012 12.702 3.840 1.00 0.00 H new ATOM 0 HA GLU A 76 12.280 11.203 5.956 1.00 0.00 H new ATOM 0 HB2 GLU A 76 11.305 14.081 5.664 1.00 0.00 H new ATOM 0 HB3 GLU A 76 12.097 13.481 7.108 1.00 0.00 H new ATOM 0 HG2 GLU A 76 14.123 12.954 5.788 1.00 0.00 H new ATOM 0 HG3 GLU A 76 13.332 13.525 4.332 1.00 0.00 H new ATOM 1208 N ASN A 77 9.100 11.834 6.080 1.00 0.00 N ATOM 1209 CA ASN A 77 7.891 11.618 6.872 1.00 0.00 C ATOM 1210 C ASN A 77 7.526 10.142 6.955 1.00 0.00 C ATOM 1211 O ASN A 77 6.576 9.688 6.318 1.00 0.00 O ATOM 1212 CB ASN A 77 6.730 12.421 6.311 1.00 0.00 C ATOM 1213 CG ASN A 77 5.542 12.461 7.241 1.00 0.00 C ATOM 1214 OD1 ASN A 77 5.570 11.859 8.321 1.00 0.00 O ATOM 1215 ND2 ASN A 77 4.516 13.177 6.854 1.00 0.00 N ATOM 0 H ASN A 77 8.932 12.127 5.118 1.00 0.00 H new ATOM 0 HA ASN A 77 8.100 11.964 7.884 1.00 0.00 H new ATOM 0 HB2 ASN A 77 7.062 13.439 6.110 1.00 0.00 H new ATOM 0 HB3 ASN A 77 6.424 11.991 5.357 1.00 0.00 H new ATOM 0 HD21 ASN A 77 3.694 13.256 7.453 1.00 0.00 H new ATOM 0 HD22 ASN A 77 4.539 13.656 5.954 1.00 0.00 H new ATOM 1222 N ILE A 78 8.304 9.402 7.732 1.00 0.00 N ATOM 1223 CA ILE A 78 8.084 7.984 7.949 1.00 0.00 C ATOM 1224 C ILE A 78 7.298 7.848 9.249 1.00 0.00 C ATOM 1225 O ILE A 78 7.787 8.298 10.287 1.00 0.00 O ATOM 1226 CB ILE A 78 9.413 7.212 8.034 1.00 0.00 C ATOM 1227 CG1 ILE A 78 10.246 7.477 6.776 1.00 0.00 C ATOM 1228 CG2 ILE A 78 9.151 5.724 8.200 1.00 0.00 C ATOM 1229 CD1 ILE A 78 9.555 7.080 5.493 1.00 0.00 C ATOM 0 H ILE A 78 9.111 9.774 8.232 1.00 0.00 H new ATOM 0 HA ILE A 78 7.532 7.557 7.112 1.00 0.00 H new ATOM 0 HB ILE A 78 9.971 7.557 8.904 1.00 0.00 H new ATOM 0 HG12 ILE A 78 10.493 8.538 6.732 1.00 0.00 H new ATOM 0 HG13 ILE A 78 11.188 6.934 6.854 1.00 0.00 H new ATOM 0 HG21 ILE A 78 10.100 5.192 8.259 1.00 0.00 H new ATOM 0 HG22 ILE A 78 8.583 5.554 9.115 1.00 0.00 H new ATOM 0 HG23 ILE A 78 8.582 5.357 7.346 1.00 0.00 H new ATOM 0 HD11 ILE A 78 10.206 7.298 4.647 1.00 0.00 H new ATOM 0 HD12 ILE A 78 9.332 6.013 5.515 1.00 0.00 H new ATOM 0 HD13 ILE A 78 8.627 7.642 5.391 1.00 0.00 H new ATOM 1241 N PRO A 79 6.101 7.262 9.243 1.00 0.00 N ATOM 1242 CA PRO A 79 5.293 7.116 10.428 1.00 0.00 C ATOM 1243 C PRO A 79 5.843 6.069 11.387 1.00 0.00 C ATOM 1244 O PRO A 79 6.584 5.170 10.994 1.00 0.00 O ATOM 1245 CB PRO A 79 3.952 6.723 9.808 1.00 0.00 C ATOM 1246 CG PRO A 79 4.301 6.044 8.513 1.00 0.00 C ATOM 1247 CD PRO A 79 5.555 6.716 7.996 1.00 0.00 C ATOM 0 HA PRO A 79 5.246 8.005 11.058 1.00 0.00 H new ATOM 0 HB2 PRO A 79 3.395 6.055 10.465 1.00 0.00 H new ATOM 0 HB3 PRO A 79 3.325 7.598 9.637 1.00 0.00 H new ATOM 0 HG2 PRO A 79 4.468 4.978 8.667 1.00 0.00 H new ATOM 0 HG3 PRO A 79 3.487 6.138 7.795 1.00 0.00 H new ATOM 0 HD2 PRO A 79 6.236 6.011 7.519 1.00 0.00 H new ATOM 0 HD3 PRO A 79 5.337 7.493 7.264 1.00 0.00 H new ATOM 1255 N VAL A 80 5.476 6.194 12.654 1.00 0.00 N ATOM 1256 CA VAL A 80 5.916 5.276 13.690 1.00 0.00 C ATOM 1257 C VAL A 80 4.831 4.237 13.889 1.00 0.00 C ATOM 1258 O VAL A 80 3.668 4.572 14.138 1.00 0.00 O ATOM 1259 CB VAL A 80 6.209 6.009 15.011 1.00 0.00 C ATOM 1260 CG1 VAL A 80 6.616 5.004 16.080 1.00 0.00 C ATOM 1261 CG2 VAL A 80 7.312 7.030 14.782 1.00 0.00 C ATOM 0 H VAL A 80 4.864 6.937 12.991 1.00 0.00 H new ATOM 0 HA VAL A 80 6.847 4.801 13.379 1.00 0.00 H new ATOM 0 HB VAL A 80 5.314 6.528 15.354 1.00 0.00 H new ATOM 0 HG11 VAL A 80 6.822 5.529 17.013 1.00 0.00 H new ATOM 0 HG12 VAL A 80 5.807 4.291 16.236 1.00 0.00 H new ATOM 0 HG13 VAL A 80 7.511 4.472 15.757 1.00 0.00 H new ATOM 0 HG21 VAL A 80 7.524 7.552 15.715 1.00 0.00 H new ATOM 0 HG22 VAL A 80 8.213 6.522 14.438 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.991 7.749 14.028 1.00 0.00 H new ATOM 1271 N HIS A 81 5.231 2.982 13.750 1.00 0.00 N ATOM 1272 CA HIS A 81 4.327 1.854 13.858 1.00 0.00 C ATOM 1273 C HIS A 81 5.131 0.559 13.885 1.00 0.00 C ATOM 1274 O HIS A 81 6.172 0.506 13.238 1.00 0.00 O ATOM 1275 CB HIS A 81 3.362 1.845 12.667 1.00 0.00 C ATOM 1276 CG HIS A 81 2.275 0.842 12.798 1.00 0.00 C ATOM 1277 ND1 HIS A 81 2.429 -0.484 12.453 1.00 0.00 N ATOM 1278 CD2 HIS A 81 1.024 0.968 13.282 1.00 0.00 C ATOM 1279 CE1 HIS A 81 1.304 -1.130 12.713 1.00 0.00 C ATOM 1280 NE2 HIS A 81 0.442 -0.272 13.218 1.00 0.00 N ATOM 0 H HIS A 81 6.198 2.719 13.558 1.00 0.00 H new ATOM 0 HA HIS A 81 3.751 1.939 14.779 1.00 0.00 H new ATOM 0 HB2 HIS A 81 2.921 2.836 12.558 1.00 0.00 H new ATOM 0 HB3 HIS A 81 3.924 1.644 11.755 1.00 0.00 H new ATOM 0 HD2 HIS A 81 0.566 1.874 13.651 1.00 0.00 H new ATOM 0 HE1 HIS A 81 1.124 -2.181 12.541 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -0.508 -0.495 13.515 1.00 0.00 H new ATOM 1288 N PRO A 82 4.722 -0.493 14.600 1.00 0.00 N ATOM 1289 CA PRO A 82 5.414 -1.771 14.580 1.00 0.00 C ATOM 1290 C PRO A 82 5.708 -2.358 13.194 1.00 0.00 C ATOM 1291 O PRO A 82 6.694 -3.081 13.043 1.00 0.00 O ATOM 1292 CB PRO A 82 4.426 -2.616 15.388 1.00 0.00 C ATOM 1293 CG PRO A 82 3.815 -1.638 16.357 1.00 0.00 C ATOM 1294 CD PRO A 82 3.693 -0.324 15.638 1.00 0.00 C ATOM 0 HA PRO A 82 6.428 -1.710 14.975 1.00 0.00 H new ATOM 0 HB2 PRO A 82 3.669 -3.067 14.746 1.00 0.00 H new ATOM 0 HB3 PRO A 82 4.930 -3.431 15.908 1.00 0.00 H new ATOM 0 HG2 PRO A 82 2.838 -1.986 16.692 1.00 0.00 H new ATOM 0 HG3 PRO A 82 4.438 -1.535 17.245 1.00 0.00 H new ATOM 0 HD2 PRO A 82 2.699 -0.172 15.217 1.00 0.00 H new ATOM 0 HD3 PRO A 82 3.896 0.526 16.289 1.00 0.00 H new ATOM 1302 N HIS A 83 4.870 -2.075 12.196 1.00 0.00 N ATOM 1303 CA HIS A 83 5.085 -2.568 10.843 1.00 0.00 C ATOM 1304 C HIS A 83 5.622 -1.505 9.877 1.00 0.00 C ATOM 1305 O HIS A 83 5.569 -1.674 8.657 1.00 0.00 O ATOM 1306 CB HIS A 83 3.776 -3.160 10.334 1.00 0.00 C ATOM 1307 CG HIS A 83 3.380 -4.355 11.146 1.00 0.00 C ATOM 1308 ND1 HIS A 83 2.719 -4.253 12.352 1.00 0.00 N ATOM 1309 CD2 HIS A 83 3.559 -5.679 10.930 1.00 0.00 C ATOM 1310 CE1 HIS A 83 2.508 -5.462 12.841 1.00 0.00 C ATOM 1311 NE2 HIS A 83 3.007 -6.345 11.996 1.00 0.00 N ATOM 0 H HIS A 83 4.032 -1.503 12.305 1.00 0.00 H new ATOM 0 HA HIS A 83 5.863 -3.331 10.884 1.00 0.00 H new ATOM 0 HB2 HIS A 83 2.989 -2.407 10.380 1.00 0.00 H new ATOM 0 HB3 HIS A 83 3.884 -3.445 9.288 1.00 0.00 H new ATOM 0 HD2 HIS A 83 4.046 -6.128 10.077 1.00 0.00 H new ATOM 0 HE1 HIS A 83 2.012 -5.689 13.773 1.00 0.00 H new ATOM 0 HE2 HIS A 83 2.986 -7.358 12.116 1.00 0.00 H new ATOM 1319 N VAL A 84 6.141 -0.397 10.408 1.00 0.00 N ATOM 1320 CA VAL A 84 6.750 0.631 9.569 1.00 0.00 C ATOM 1321 C VAL A 84 8.189 0.820 10.013 1.00 0.00 C ATOM 1322 O VAL A 84 8.467 1.055 11.188 1.00 0.00 O ATOM 1323 CB VAL A 84 6.019 1.978 9.629 1.00 0.00 C ATOM 1324 CG1 VAL A 84 6.769 2.969 8.752 1.00 0.00 C ATOM 1325 CG2 VAL A 84 4.599 1.808 9.136 1.00 0.00 C ATOM 0 H VAL A 84 6.151 -0.191 11.407 1.00 0.00 H new ATOM 0 HA VAL A 84 6.688 0.290 8.535 1.00 0.00 H new ATOM 0 HB VAL A 84 5.985 2.347 10.654 1.00 0.00 H new ATOM 0 HG11 VAL A 84 6.265 3.935 8.781 1.00 0.00 H new ATOM 0 HG12 VAL A 84 7.789 3.081 9.120 1.00 0.00 H new ATOM 0 HG13 VAL A 84 6.792 2.602 7.726 1.00 0.00 H new ATOM 0 HG21 VAL A 84 4.082 2.766 9.180 1.00 0.00 H new ATOM 0 HG22 VAL A 84 4.612 1.449 8.107 1.00 0.00 H new ATOM 0 HG23 VAL A 84 4.079 1.086 9.766 1.00 0.00 H new ATOM 1335 N TYR A 85 9.116 0.732 9.071 1.00 0.00 N ATOM 1336 CA TYR A 85 10.511 0.831 9.461 1.00 0.00 C ATOM 1337 C TYR A 85 11.145 2.100 8.926 1.00 0.00 C ATOM 1338 O TYR A 85 10.617 2.716 8.002 1.00 0.00 O ATOM 1339 CB TYR A 85 11.205 -0.432 8.980 1.00 0.00 C ATOM 1340 CG TYR A 85 10.500 -1.598 9.636 1.00 0.00 C ATOM 1341 CD1 TYR A 85 10.878 -2.037 10.893 1.00 0.00 C ATOM 1342 CD2 TYR A 85 9.433 -2.204 8.986 1.00 0.00 C ATOM 1343 CE1 TYR A 85 10.197 -3.077 11.493 1.00 0.00 C ATOM 1344 CE2 TYR A 85 8.749 -3.240 9.585 1.00 0.00 C ATOM 1345 CZ TYR A 85 9.135 -3.677 10.846 1.00 0.00 C ATOM 1346 OH TYR A 85 8.459 -4.712 11.451 1.00 0.00 O ATOM 0 H TYR A 85 8.940 0.598 8.075 1.00 0.00 H new ATOM 0 HA TYR A 85 10.610 0.903 10.544 1.00 0.00 H new ATOM 0 HB2 TYR A 85 11.154 -0.511 7.894 1.00 0.00 H new ATOM 0 HB3 TYR A 85 12.261 -0.419 9.249 1.00 0.00 H new ATOM 0 HD1 TYR A 85 11.705 -1.566 11.404 1.00 0.00 H new ATOM 0 HD2 TYR A 85 9.137 -1.862 8.005 1.00 0.00 H new ATOM 0 HE1 TYR A 85 10.496 -3.422 12.472 1.00 0.00 H new ATOM 0 HE2 TYR A 85 7.919 -3.709 9.078 1.00 0.00 H new ATOM 0 HH TYR A 85 7.773 -4.349 12.049 1.00 0.00 H new ATOM 1356 N SER A 86 12.290 2.471 9.506 1.00 0.00 N ATOM 1357 CA SER A 86 12.994 3.718 9.196 1.00 0.00 C ATOM 1358 C SER A 86 13.521 3.820 7.772 1.00 0.00 C ATOM 1359 O SER A 86 13.835 4.915 7.303 1.00 0.00 O ATOM 1360 CB SER A 86 14.161 3.889 10.146 1.00 0.00 C ATOM 1361 OG SER A 86 15.149 2.925 9.903 1.00 0.00 O ATOM 0 H SER A 86 12.760 1.906 10.213 1.00 0.00 H new ATOM 0 HA SER A 86 12.248 4.505 9.310 1.00 0.00 H new ATOM 0 HB2 SER A 86 14.585 4.887 10.032 1.00 0.00 H new ATOM 0 HB3 SER A 86 13.812 3.807 11.175 1.00 0.00 H new ATOM 0 HG SER A 86 15.894 3.055 10.527 1.00 0.00 H new ATOM 1367 N ASN A 87 13.628 2.689 7.085 1.00 0.00 N ATOM 1368 CA ASN A 87 14.033 2.675 5.692 1.00 0.00 C ATOM 1369 C ASN A 87 12.830 2.760 4.747 1.00 0.00 C ATOM 1370 O ASN A 87 12.994 2.636 3.534 1.00 0.00 O ATOM 1371 CB ASN A 87 14.847 1.425 5.421 1.00 0.00 C ATOM 1372 CG ASN A 87 14.030 0.177 5.602 1.00 0.00 C ATOM 1373 OD1 ASN A 87 12.858 0.249 5.989 1.00 0.00 O ATOM 1374 ND2 ASN A 87 14.622 -0.959 5.334 1.00 0.00 N ATOM 0 H ASN A 87 13.438 1.766 7.476 1.00 0.00 H new ATOM 0 HA ASN A 87 14.645 3.556 5.501 1.00 0.00 H new ATOM 0 HB2 ASN A 87 15.238 1.459 4.404 1.00 0.00 H new ATOM 0 HB3 ASN A 87 15.706 1.398 6.092 1.00 0.00 H new ATOM 0 HD21 ASN A 87 14.114 -1.837 5.442 1.00 0.00 H new ATOM 0 HD22 ASN A 87 15.592 -0.967 5.017 1.00 0.00 H new ATOM 1381 N GLY A 88 11.630 2.978 5.296 1.00 0.00 N ATOM 1382 CA GLY A 88 10.405 3.089 4.522 1.00 0.00 C ATOM 1383 C GLY A 88 9.689 1.751 4.369 1.00 0.00 C ATOM 1384 O GLY A 88 8.629 1.671 3.749 1.00 0.00 O ATOM 0 H GLY A 88 11.489 3.082 6.301 1.00 0.00 H new ATOM 0 HA2 GLY A 88 9.737 3.802 5.005 1.00 0.00 H new ATOM 0 HA3 GLY A 88 10.637 3.488 3.535 1.00 0.00 H new ATOM 1388 N HIS A 89 10.242 0.678 4.921 1.00 0.00 N ATOM 1389 CA HIS A 89 9.600 -0.612 4.733 1.00 0.00 C ATOM 1390 C HIS A 89 8.231 -0.726 5.384 1.00 0.00 C ATOM 1391 O HIS A 89 7.990 -0.295 6.512 1.00 0.00 O ATOM 1392 CB HIS A 89 10.524 -1.725 5.230 1.00 0.00 C ATOM 1393 CG HIS A 89 10.030 -3.097 4.931 1.00 0.00 C ATOM 1394 ND1 HIS A 89 9.109 -3.745 5.724 1.00 0.00 N ATOM 1395 CD2 HIS A 89 10.320 -3.941 3.916 1.00 0.00 C ATOM 1396 CE1 HIS A 89 8.862 -4.936 5.212 1.00 0.00 C ATOM 1397 NE2 HIS A 89 9.582 -5.078 4.114 1.00 0.00 N ATOM 0 H HIS A 89 11.096 0.672 5.479 1.00 0.00 H new ATOM 0 HA HIS A 89 9.424 -0.715 3.662 1.00 0.00 H new ATOM 0 HB2 HIS A 89 11.507 -1.597 4.777 1.00 0.00 H new ATOM 0 HB3 HIS A 89 10.653 -1.623 6.307 1.00 0.00 H new ATOM 0 HD2 HIS A 89 11.005 -3.754 3.102 1.00 0.00 H new ATOM 0 HE1 HIS A 89 8.185 -5.671 5.622 1.00 0.00 H new ATOM 0 HE2 HIS A 89 9.588 -5.901 3.511 1.00 0.00 H new ATOM 1405 N ILE A 90 7.321 -1.312 4.612 1.00 0.00 N ATOM 1406 CA ILE A 90 5.948 -1.567 5.018 1.00 0.00 C ATOM 1407 C ILE A 90 5.730 -3.064 5.136 1.00 0.00 C ATOM 1408 O ILE A 90 5.787 -3.780 4.134 1.00 0.00 O ATOM 1409 CB ILE A 90 4.954 -0.975 4.005 1.00 0.00 C ATOM 1410 CG1 ILE A 90 5.163 0.528 3.922 1.00 0.00 C ATOM 1411 CG2 ILE A 90 3.532 -1.316 4.394 1.00 0.00 C ATOM 1412 CD1 ILE A 90 4.369 1.204 2.837 1.00 0.00 C ATOM 0 H ILE A 90 7.525 -1.629 3.664 1.00 0.00 H new ATOM 0 HA ILE A 90 5.775 -1.089 5.982 1.00 0.00 H new ATOM 0 HB ILE A 90 5.132 -1.408 3.021 1.00 0.00 H new ATOM 0 HG12 ILE A 90 4.899 0.973 4.881 1.00 0.00 H new ATOM 0 HG13 ILE A 90 6.222 0.727 3.759 1.00 0.00 H new ATOM 0 HG21 ILE A 90 2.843 -0.889 3.665 1.00 0.00 H new ATOM 0 HG22 ILE A 90 3.411 -2.399 4.416 1.00 0.00 H new ATOM 0 HG23 ILE A 90 3.317 -0.906 5.381 1.00 0.00 H new ATOM 0 HD11 ILE A 90 4.576 2.274 2.847 1.00 0.00 H new ATOM 0 HD12 ILE A 90 4.649 0.789 1.869 1.00 0.00 H new ATOM 0 HD13 ILE A 90 3.305 1.039 3.008 1.00 0.00 H new ATOM 1424 N CYS A 91 5.474 -3.544 6.348 1.00 0.00 N ATOM 1425 CA CYS A 91 5.291 -4.976 6.513 1.00 0.00 C ATOM 1426 C CYS A 91 3.836 -5.405 6.586 1.00 0.00 C ATOM 1427 O CYS A 91 3.218 -5.383 7.651 1.00 0.00 O ATOM 1428 CB CYS A 91 6.010 -5.449 7.775 1.00 0.00 C ATOM 1429 SG CYS A 91 5.904 -7.231 8.063 1.00 0.00 S ATOM 0 H CYS A 91 5.391 -2.987 7.198 1.00 0.00 H new ATOM 0 HA CYS A 91 5.715 -5.437 5.621 1.00 0.00 H new ATOM 0 HB2 CYS A 91 7.060 -5.164 7.710 1.00 0.00 H new ATOM 0 HB3 CYS A 91 5.591 -4.927 8.636 1.00 0.00 H new ATOM 0 HG CYS A 91 6.545 -7.533 9.153 1.00 0.00 H new ATOM 1435 N LEU A 92 3.295 -5.793 5.439 1.00 0.00 N ATOM 1436 CA LEU A 92 1.944 -6.328 5.371 1.00 0.00 C ATOM 1437 C LEU A 92 2.105 -7.771 4.940 1.00 0.00 C ATOM 1438 O LEU A 92 2.936 -8.046 4.074 1.00 0.00 O ATOM 1439 CB LEU A 92 1.076 -5.590 4.348 1.00 0.00 C ATOM 1440 CG LEU A 92 0.879 -4.083 4.508 1.00 0.00 C ATOM 1441 CD1 LEU A 92 0.115 -3.571 3.297 1.00 0.00 C ATOM 1442 CD2 LEU A 92 0.120 -3.780 5.791 1.00 0.00 C ATOM 0 H LEU A 92 3.774 -5.746 4.540 1.00 0.00 H new ATOM 0 HA LEU A 92 1.446 -6.218 6.334 1.00 0.00 H new ATOM 0 HB2 LEU A 92 1.506 -5.765 3.362 1.00 0.00 H new ATOM 0 HB3 LEU A 92 0.090 -6.055 4.353 1.00 0.00 H new ATOM 0 HG LEU A 92 1.846 -3.584 4.572 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -0.037 -2.496 3.391 1.00 0.00 H new ATOM 0 HD12 LEU A 92 0.686 -3.779 2.392 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -0.852 -4.070 3.239 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -0.012 -2.703 5.890 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -0.856 -4.264 5.759 1.00 0.00 H new ATOM 0 HD23 LEU A 92 0.684 -4.156 6.645 1.00 0.00 H new ATOM 1454 N SER A 93 1.291 -8.688 5.463 1.00 0.00 N ATOM 1455 CA SER A 93 1.466 -10.076 5.042 1.00 0.00 C ATOM 1456 C SER A 93 1.112 -10.260 3.584 1.00 0.00 C ATOM 1457 O SER A 93 1.711 -11.085 2.894 1.00 0.00 O ATOM 1458 CB SER A 93 0.562 -11.024 5.787 1.00 0.00 C ATOM 1459 OG SER A 93 -0.763 -10.762 5.410 1.00 0.00 O ATOM 0 H SER A 93 0.547 -8.512 6.138 1.00 0.00 H new ATOM 0 HA SER A 93 2.515 -10.295 5.242 1.00 0.00 H new ATOM 0 HB2 SER A 93 0.824 -12.057 5.558 1.00 0.00 H new ATOM 0 HB3 SER A 93 0.682 -10.896 6.863 1.00 0.00 H new ATOM 0 HG SER A 93 -1.322 -11.540 5.616 1.00 0.00 H new ATOM 1465 N ILE A 94 0.187 -9.430 3.093 1.00 0.00 N ATOM 1466 CA ILE A 94 -0.268 -9.476 1.712 1.00 0.00 C ATOM 1467 C ILE A 94 0.775 -9.071 0.694 1.00 0.00 C ATOM 1468 O ILE A 94 0.548 -9.249 -0.498 1.00 0.00 O ATOM 1469 CB ILE A 94 -1.489 -8.572 1.487 1.00 0.00 C ATOM 1470 CG1 ILE A 94 -1.121 -7.107 1.730 1.00 0.00 C ATOM 1471 CG2 ILE A 94 -2.626 -9.011 2.394 1.00 0.00 C ATOM 1472 CD1 ILE A 94 -2.205 -6.145 1.310 1.00 0.00 C ATOM 0 H ILE A 94 -0.266 -8.706 3.650 1.00 0.00 H new ATOM 0 HA ILE A 94 -0.513 -10.527 1.558 1.00 0.00 H new ATOM 0 HB ILE A 94 -1.818 -8.664 0.452 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -0.907 -6.964 2.789 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -0.206 -6.874 1.186 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -3.490 -8.367 2.231 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -2.894 -10.043 2.168 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -2.310 -8.938 3.435 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -1.882 -5.123 1.509 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -2.403 -6.262 0.245 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -3.115 -6.354 1.873 1.00 0.00 H new ATOM 1484 N LEU A 95 1.908 -8.527 1.123 1.00 0.00 N ATOM 1485 CA LEU A 95 2.928 -8.180 0.161 1.00 0.00 C ATOM 1486 C LEU A 95 3.871 -9.371 -0.035 1.00 0.00 C ATOM 1487 O LEU A 95 4.724 -9.351 -0.924 1.00 0.00 O ATOM 1488 CB LEU A 95 3.652 -6.915 0.640 1.00 0.00 C ATOM 1489 CG LEU A 95 2.742 -5.673 0.741 1.00 0.00 C ATOM 1490 CD1 LEU A 95 3.522 -4.504 1.336 1.00 0.00 C ATOM 1491 CD2 LEU A 95 2.212 -5.319 -0.642 1.00 0.00 C ATOM 0 H LEU A 95 2.133 -8.325 2.097 1.00 0.00 H new ATOM 0 HA LEU A 95 2.491 -7.959 -0.813 1.00 0.00 H new ATOM 0 HB2 LEU A 95 4.094 -7.109 1.617 1.00 0.00 H new ATOM 0 HB3 LEU A 95 4.473 -6.697 -0.044 1.00 0.00 H new ATOM 0 HG LEU A 95 1.898 -5.890 1.396 1.00 0.00 H new ATOM 0 HD11 LEU A 95 2.873 -3.631 1.404 1.00 0.00 H new ATOM 0 HD12 LEU A 95 3.876 -4.772 2.332 1.00 0.00 H new ATOM 0 HD13 LEU A 95 4.375 -4.273 0.698 1.00 0.00 H new ATOM 0 HD21 LEU A 95 1.569 -4.442 -0.572 1.00 0.00 H new ATOM 0 HD22 LEU A 95 3.048 -5.104 -1.308 1.00 0.00 H new ATOM 0 HD23 LEU A 95 1.639 -6.158 -1.038 1.00 0.00 H new ATOM 1503 N THR A 96 3.733 -10.405 0.804 1.00 0.00 N ATOM 1504 CA THR A 96 4.538 -11.615 0.717 1.00 0.00 C ATOM 1505 C THR A 96 3.697 -12.882 0.790 1.00 0.00 C ATOM 1506 O THR A 96 3.420 -13.536 -0.215 1.00 0.00 O ATOM 1507 CB THR A 96 5.586 -11.713 1.837 1.00 0.00 C ATOM 1508 OG1 THR A 96 4.922 -11.642 3.105 1.00 0.00 O ATOM 1509 CG2 THR A 96 6.619 -10.607 1.718 1.00 0.00 C ATOM 0 H THR A 96 3.054 -10.419 1.565 1.00 0.00 H new ATOM 0 HA THR A 96 5.029 -11.540 -0.253 1.00 0.00 H new ATOM 0 HB THR A 96 6.111 -12.664 1.749 1.00 0.00 H new ATOM 0 HG1 THR A 96 5.584 -11.705 3.825 1.00 0.00 H new ATOM 0 HG21 THR A 96 7.347 -10.701 2.523 1.00 0.00 H new ATOM 0 HG22 THR A 96 7.128 -10.686 0.757 1.00 0.00 H new ATOM 0 HG23 THR A 96 6.124 -9.638 1.788 1.00 0.00 H new ATOM 1517 N GLU A 97 3.295 -13.198 2.022 1.00 0.00 N ATOM 1518 CA GLU A 97 2.605 -14.441 2.364 1.00 0.00 C ATOM 1519 C GLU A 97 1.143 -14.564 1.951 1.00 0.00 C ATOM 1520 O GLU A 97 0.698 -15.656 1.597 1.00 0.00 O ATOM 1521 CB GLU A 97 2.683 -14.639 3.878 1.00 0.00 C ATOM 1522 CG GLU A 97 4.083 -14.921 4.400 1.00 0.00 C ATOM 1523 CD GLU A 97 4.658 -16.200 3.857 1.00 0.00 C ATOM 1524 OE1 GLU A 97 3.952 -17.179 3.821 1.00 0.00 O ATOM 1525 OE2 GLU A 97 5.806 -16.201 3.479 1.00 0.00 O ATOM 0 H GLU A 97 3.443 -12.586 2.824 1.00 0.00 H new ATOM 0 HA GLU A 97 3.125 -15.204 1.785 1.00 0.00 H new ATOM 0 HB2 GLU A 97 2.297 -13.746 4.370 1.00 0.00 H new ATOM 0 HB3 GLU A 97 2.030 -15.465 4.159 1.00 0.00 H new ATOM 0 HG2 GLU A 97 4.739 -14.092 4.136 1.00 0.00 H new ATOM 0 HG3 GLU A 97 4.057 -14.972 5.488 1.00 0.00 H new ATOM 1532 N ASP A 98 0.401 -13.465 1.992 1.00 0.00 N ATOM 1533 CA ASP A 98 -1.009 -13.487 1.634 1.00 0.00 C ATOM 1534 C ASP A 98 -1.300 -12.814 0.294 1.00 0.00 C ATOM 1535 O ASP A 98 -2.445 -12.440 0.035 1.00 0.00 O ATOM 1536 CB ASP A 98 -1.844 -12.846 2.754 1.00 0.00 C ATOM 1537 CG ASP A 98 -1.859 -13.664 4.049 1.00 0.00 C ATOM 1538 OD1 ASP A 98 -1.898 -14.870 3.961 1.00 0.00 O ATOM 1539 OD2 ASP A 98 -1.839 -13.105 5.123 1.00 0.00 O ATOM 0 H ASP A 98 0.753 -12.549 2.269 1.00 0.00 H new ATOM 0 HA ASP A 98 -1.291 -14.533 1.517 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -1.451 -11.852 2.966 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -2.868 -12.716 2.404 1.00 0.00 H new ATOM 1544 N TRP A 99 -0.285 -12.646 -0.555 1.00 0.00 N ATOM 1545 CA TRP A 99 -0.531 -12.036 -1.855 1.00 0.00 C ATOM 1546 C TRP A 99 -1.353 -12.921 -2.772 1.00 0.00 C ATOM 1547 O TRP A 99 -1.152 -14.134 -2.859 1.00 0.00 O ATOM 1548 CB TRP A 99 0.746 -11.671 -2.622 1.00 0.00 C ATOM 1549 CG TRP A 99 0.387 -11.104 -3.977 1.00 0.00 C ATOM 1550 CD1 TRP A 99 0.498 -11.777 -5.158 1.00 0.00 C ATOM 1551 CD2 TRP A 99 -0.169 -9.803 -4.319 1.00 0.00 C ATOM 1552 NE1 TRP A 99 0.054 -10.996 -6.191 1.00 0.00 N ATOM 1553 CE2 TRP A 99 -0.355 -9.790 -5.703 1.00 0.00 C ATOM 1554 CE3 TRP A 99 -0.527 -8.666 -3.583 1.00 0.00 C ATOM 1555 CZ2 TRP A 99 -0.880 -8.695 -6.370 1.00 0.00 C ATOM 1556 CZ3 TRP A 99 -1.055 -7.568 -4.249 1.00 0.00 C ATOM 1557 CH2 TRP A 99 -1.228 -7.583 -5.608 1.00 0.00 C ATOM 0 H TRP A 99 0.682 -12.914 -0.373 1.00 0.00 H new ATOM 0 HA TRP A 99 -1.077 -11.127 -1.602 1.00 0.00 H new ATOM 0 HB2 TRP A 99 1.326 -10.943 -2.055 1.00 0.00 H new ATOM 0 HB3 TRP A 99 1.374 -12.554 -2.742 1.00 0.00 H new ATOM 0 HD1 TRP A 99 0.881 -12.781 -5.263 1.00 0.00 H new ATOM 0 HE1 TRP A 99 0.032 -11.273 -7.172 1.00 0.00 H new ATOM 0 HE3 TRP A 99 -0.394 -8.644 -2.511 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 -1.014 -8.704 -7.442 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 -1.334 -6.689 -3.687 1.00 0.00 H new ATOM 0 HH2 TRP A 99 -1.643 -6.715 -6.098 1.00 0.00 H new ATOM 1568 N SER A 100 -2.278 -12.275 -3.460 1.00 0.00 N ATOM 1569 CA SER A 100 -3.141 -12.881 -4.445 1.00 0.00 C ATOM 1570 C SER A 100 -3.417 -11.855 -5.529 1.00 0.00 C ATOM 1571 O SER A 100 -3.596 -10.686 -5.199 1.00 0.00 O ATOM 1572 CB SER A 100 -4.460 -13.319 -3.842 1.00 0.00 C ATOM 1573 OG SER A 100 -5.318 -13.815 -4.837 1.00 0.00 O ATOM 0 H SER A 100 -2.451 -11.277 -3.340 1.00 0.00 H new ATOM 0 HA SER A 100 -2.644 -13.764 -4.846 1.00 0.00 H new ATOM 0 HB2 SER A 100 -4.285 -14.088 -3.089 1.00 0.00 H new ATOM 0 HB3 SER A 100 -4.931 -12.477 -3.334 1.00 0.00 H new ATOM 0 HG SER A 100 -6.164 -14.095 -4.430 1.00 0.00 H new ATOM 1579 N PRO A 101 -3.454 -12.245 -6.811 1.00 0.00 N ATOM 1580 CA PRO A 101 -3.817 -11.407 -7.941 1.00 0.00 C ATOM 1581 C PRO A 101 -5.176 -10.730 -7.774 1.00 0.00 C ATOM 1582 O PRO A 101 -5.440 -9.697 -8.389 1.00 0.00 O ATOM 1583 CB PRO A 101 -3.805 -12.430 -9.083 1.00 0.00 C ATOM 1584 CG PRO A 101 -2.807 -13.465 -8.645 1.00 0.00 C ATOM 1585 CD PRO A 101 -2.938 -13.576 -7.146 1.00 0.00 C ATOM 0 HA PRO A 101 -3.148 -10.560 -8.092 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -4.791 -12.868 -9.235 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -3.512 -11.969 -10.026 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -3.006 -14.424 -9.124 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -1.795 -13.172 -8.926 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -3.623 -14.370 -6.850 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -1.983 -13.782 -6.663 1.00 0.00 H new ATOM 1593 N ALA A 102 -6.047 -11.333 -6.958 1.00 0.00 N ATOM 1594 CA ALA A 102 -7.359 -10.799 -6.632 1.00 0.00 C ATOM 1595 C ALA A 102 -7.261 -9.528 -5.783 1.00 0.00 C ATOM 1596 O ALA A 102 -8.222 -8.758 -5.725 1.00 0.00 O ATOM 1597 CB ALA A 102 -8.170 -11.850 -5.893 1.00 0.00 C ATOM 0 H ALA A 102 -5.849 -12.223 -6.501 1.00 0.00 H new ATOM 0 HA ALA A 102 -7.855 -10.537 -7.567 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -9.153 -11.447 -5.650 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -8.285 -12.731 -6.524 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -7.654 -12.127 -4.974 1.00 0.00 H new ATOM 1603 N LEU A 103 -6.127 -9.304 -5.116 1.00 0.00 N ATOM 1604 CA LEU A 103 -5.959 -8.118 -4.298 1.00 0.00 C ATOM 1605 C LEU A 103 -5.698 -6.925 -5.194 1.00 0.00 C ATOM 1606 O LEU A 103 -4.914 -7.004 -6.140 1.00 0.00 O ATOM 1607 CB LEU A 103 -4.781 -8.282 -3.331 1.00 0.00 C ATOM 1608 CG LEU A 103 -4.906 -9.395 -2.288 1.00 0.00 C ATOM 1609 CD1 LEU A 103 -3.608 -9.480 -1.504 1.00 0.00 C ATOM 1610 CD2 LEU A 103 -6.077 -9.096 -1.367 1.00 0.00 C ATOM 0 H LEU A 103 -5.321 -9.928 -5.130 1.00 0.00 H new ATOM 0 HA LEU A 103 -6.870 -7.967 -3.719 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -3.880 -8.463 -3.918 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -4.635 -7.337 -2.807 1.00 0.00 H new ATOM 0 HG LEU A 103 -5.089 -10.353 -2.775 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -3.685 -10.270 -0.757 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -2.786 -9.703 -2.184 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -3.420 -8.528 -1.007 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -6.167 -9.888 -0.624 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -5.910 -8.144 -0.864 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -6.995 -9.041 -1.952 1.00 0.00 H new ATOM 1622 N SER A 104 -6.357 -5.821 -4.874 1.00 0.00 N ATOM 1623 CA SER A 104 -6.213 -4.586 -5.628 1.00 0.00 C ATOM 1624 C SER A 104 -5.171 -3.670 -5.009 1.00 0.00 C ATOM 1625 O SER A 104 -4.763 -3.883 -3.867 1.00 0.00 O ATOM 1626 CB SER A 104 -7.562 -3.883 -5.711 1.00 0.00 C ATOM 1627 OG SER A 104 -8.029 -3.415 -4.472 1.00 0.00 O ATOM 0 H SER A 104 -7.004 -5.757 -4.088 1.00 0.00 H new ATOM 0 HA SER A 104 -5.869 -4.834 -6.632 1.00 0.00 H new ATOM 0 HB2 SER A 104 -7.483 -3.043 -6.401 1.00 0.00 H new ATOM 0 HB3 SER A 104 -8.296 -4.571 -6.130 1.00 0.00 H new ATOM 0 HG SER A 104 -8.959 -3.119 -4.564 1.00 0.00 H new ATOM 1633 N VAL A 105 -4.752 -2.652 -5.761 1.00 0.00 N ATOM 1634 CA VAL A 105 -3.812 -1.673 -5.216 1.00 0.00 C ATOM 1635 C VAL A 105 -4.524 -0.916 -4.118 1.00 0.00 C ATOM 1636 O VAL A 105 -3.907 -0.572 -3.113 1.00 0.00 O ATOM 1637 CB VAL A 105 -3.272 -0.702 -6.262 1.00 0.00 C ATOM 1638 CG1 VAL A 105 -2.478 0.394 -5.564 1.00 0.00 C ATOM 1639 CG2 VAL A 105 -2.359 -1.441 -7.222 1.00 0.00 C ATOM 0 H VAL A 105 -5.040 -2.485 -6.725 1.00 0.00 H new ATOM 0 HA VAL A 105 -2.942 -2.209 -4.836 1.00 0.00 H new ATOM 0 HB VAL A 105 -4.104 -0.265 -6.815 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -2.090 1.091 -6.307 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -3.127 0.928 -4.870 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -1.648 -0.051 -5.015 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -1.975 -0.745 -7.968 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -1.526 -1.877 -6.670 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -2.919 -2.233 -7.719 1.00 0.00 H new ATOM 1649 N GLN A 106 -5.807 -0.642 -4.359 1.00 0.00 N ATOM 1650 CA GLN A 106 -6.710 -0.025 -3.405 1.00 0.00 C ATOM 1651 C GLN A 106 -6.668 -0.811 -2.108 1.00 0.00 C ATOM 1652 O GLN A 106 -6.501 -0.199 -1.056 1.00 0.00 O ATOM 1653 CB GLN A 106 -8.133 0.013 -3.972 1.00 0.00 C ATOM 1654 CG GLN A 106 -9.206 0.578 -3.058 1.00 0.00 C ATOM 1655 CD GLN A 106 -10.568 0.563 -3.719 1.00 0.00 C ATOM 1656 OE1 GLN A 106 -10.908 -0.408 -4.402 1.00 0.00 O ATOM 1657 NE2 GLN A 106 -11.346 1.622 -3.530 1.00 0.00 N ATOM 0 H GLN A 106 -6.253 -0.852 -5.252 1.00 0.00 H new ATOM 0 HA GLN A 106 -6.398 1.002 -3.212 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -8.120 0.602 -4.889 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -8.419 -1.002 -4.248 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -9.242 -0.003 -2.136 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -8.947 1.600 -2.781 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -11.019 2.399 -2.956 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -12.271 1.658 -3.958 1.00 0.00 H new ATOM 1666 N SER A 107 -6.819 -2.139 -2.192 1.00 0.00 N ATOM 1667 CA SER A 107 -6.775 -3.028 -1.034 1.00 0.00 C ATOM 1668 C SER A 107 -5.455 -2.903 -0.276 1.00 0.00 C ATOM 1669 O SER A 107 -5.461 -2.906 0.957 1.00 0.00 O ATOM 1670 CB SER A 107 -6.938 -4.482 -1.454 1.00 0.00 C ATOM 1671 OG SER A 107 -8.188 -4.724 -2.038 1.00 0.00 O ATOM 0 H SER A 107 -6.976 -2.626 -3.074 1.00 0.00 H new ATOM 0 HA SER A 107 -7.598 -2.728 -0.386 1.00 0.00 H new ATOM 0 HB2 SER A 107 -6.151 -4.745 -2.161 1.00 0.00 H new ATOM 0 HB3 SER A 107 -6.814 -5.127 -0.584 1.00 0.00 H new ATOM 0 HG SER A 107 -8.228 -4.291 -2.916 1.00 0.00 H new ATOM 1677 N VAL A 108 -4.338 -2.817 -1.010 1.00 0.00 N ATOM 1678 CA VAL A 108 -3.026 -2.643 -0.390 1.00 0.00 C ATOM 1679 C VAL A 108 -2.957 -1.326 0.364 1.00 0.00 C ATOM 1680 O VAL A 108 -2.468 -1.291 1.492 1.00 0.00 O ATOM 1681 CB VAL A 108 -1.883 -2.679 -1.427 1.00 0.00 C ATOM 1682 CG1 VAL A 108 -0.579 -2.288 -0.748 1.00 0.00 C ATOM 1683 CG2 VAL A 108 -1.766 -4.071 -2.035 1.00 0.00 C ATOM 0 H VAL A 108 -4.320 -2.865 -2.029 1.00 0.00 H new ATOM 0 HA VAL A 108 -2.897 -3.477 0.300 1.00 0.00 H new ATOM 0 HB VAL A 108 -2.099 -1.973 -2.229 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.232 -2.312 -1.476 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -0.669 -1.282 -0.338 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -0.364 -2.990 0.058 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -0.956 -4.082 -2.765 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.556 -4.795 -1.248 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -2.702 -4.333 -2.528 1.00 0.00 H new ATOM 1693 N CYS A 109 -3.437 -0.252 -0.260 1.00 0.00 N ATOM 1694 CA CYS A 109 -3.446 1.052 0.380 1.00 0.00 C ATOM 1695 C CYS A 109 -4.379 1.075 1.576 1.00 0.00 C ATOM 1696 O CYS A 109 -4.046 1.712 2.570 1.00 0.00 O ATOM 1697 CB CYS A 109 -3.838 2.130 -0.621 1.00 0.00 C ATOM 1698 SG CYS A 109 -2.551 2.448 -1.847 1.00 0.00 S ATOM 0 H CYS A 109 -3.822 -0.264 -1.204 1.00 0.00 H new ATOM 0 HA CYS A 109 -2.438 1.255 0.741 1.00 0.00 H new ATOM 0 HB2 CYS A 109 -4.753 1.830 -1.131 1.00 0.00 H new ATOM 0 HB3 CYS A 109 -4.059 3.053 -0.086 1.00 0.00 H new ATOM 0 HG CYS A 109 -2.888 3.472 -2.574 1.00 0.00 H new ATOM 1704 N LEU A 110 -5.517 0.388 1.500 1.00 0.00 N ATOM 1705 CA LEU A 110 -6.433 0.285 2.626 1.00 0.00 C ATOM 1706 C LEU A 110 -5.779 -0.455 3.778 1.00 0.00 C ATOM 1707 O LEU A 110 -6.049 -0.131 4.934 1.00 0.00 O ATOM 1708 CB LEU A 110 -7.720 -0.428 2.200 1.00 0.00 C ATOM 1709 CG LEU A 110 -8.639 0.365 1.267 1.00 0.00 C ATOM 1710 CD1 LEU A 110 -9.748 -0.538 0.751 1.00 0.00 C ATOM 1711 CD2 LEU A 110 -9.229 1.525 2.052 1.00 0.00 C ATOM 0 H LEU A 110 -5.825 -0.107 0.663 1.00 0.00 H new ATOM 0 HA LEU A 110 -6.684 1.292 2.960 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -7.450 -1.362 1.707 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -8.282 -0.691 3.096 1.00 0.00 H new ATOM 0 HG LEU A 110 -8.077 0.744 0.413 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -10.400 0.030 0.087 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -9.312 -1.374 0.204 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -10.328 -0.918 1.592 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -9.888 2.104 1.405 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -9.798 1.140 2.898 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -8.425 2.164 2.416 1.00 0.00 H new ATOM 1723 N SER A 111 -4.957 -1.461 3.465 1.00 0.00 N ATOM 1724 CA SER A 111 -4.206 -2.186 4.477 1.00 0.00 C ATOM 1725 C SER A 111 -3.170 -1.267 5.124 1.00 0.00 C ATOM 1726 O SER A 111 -2.959 -1.367 6.330 1.00 0.00 O ATOM 1727 CB SER A 111 -3.548 -3.408 3.870 1.00 0.00 C ATOM 1728 OG SER A 111 -4.511 -4.331 3.439 1.00 0.00 O ATOM 0 H SER A 111 -4.799 -1.788 2.512 1.00 0.00 H new ATOM 0 HA SER A 111 -4.892 -2.524 5.253 1.00 0.00 H new ATOM 0 HB2 SER A 111 -2.922 -3.109 3.029 1.00 0.00 H new ATOM 0 HB3 SER A 111 -2.893 -3.876 4.605 1.00 0.00 H new ATOM 0 HG SER A 111 -4.930 -4.006 2.615 1.00 0.00 H new ATOM 1734 N ILE A 112 -2.521 -0.402 4.336 1.00 0.00 N ATOM 1735 CA ILE A 112 -1.567 0.586 4.847 1.00 0.00 C ATOM 1736 C ILE A 112 -2.269 1.596 5.752 1.00 0.00 C ATOM 1737 O ILE A 112 -1.725 1.977 6.789 1.00 0.00 O ATOM 1738 CB ILE A 112 -0.844 1.317 3.702 1.00 0.00 C ATOM 1739 CG1 ILE A 112 0.055 0.326 2.976 1.00 0.00 C ATOM 1740 CG2 ILE A 112 -0.018 2.479 4.238 1.00 0.00 C ATOM 1741 CD1 ILE A 112 0.603 0.835 1.672 1.00 0.00 C ATOM 0 H ILE A 112 -2.644 -0.368 3.324 1.00 0.00 H new ATOM 0 HA ILE A 112 -0.820 0.047 5.430 1.00 0.00 H new ATOM 0 HB ILE A 112 -1.584 1.722 3.011 1.00 0.00 H new ATOM 0 HG12 ILE A 112 0.887 0.061 3.629 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -0.507 -0.589 2.789 1.00 0.00 H new ATOM 0 HG21 ILE A 112 0.484 2.981 3.411 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -0.672 3.186 4.748 1.00 0.00 H new ATOM 0 HG23 ILE A 112 0.727 2.103 4.940 1.00 0.00 H new ATOM 0 HD11 ILE A 112 1.233 0.070 1.218 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -0.221 1.073 0.999 1.00 0.00 H new ATOM 0 HD13 ILE A 112 1.195 1.732 1.852 1.00 0.00 H new ATOM 1753 N ILE A 113 -3.448 2.057 5.332 1.00 0.00 N ATOM 1754 CA ILE A 113 -4.275 2.965 6.116 1.00 0.00 C ATOM 1755 C ILE A 113 -4.661 2.303 7.430 1.00 0.00 C ATOM 1756 O ILE A 113 -4.548 2.930 8.486 1.00 0.00 O ATOM 1757 CB ILE A 113 -5.557 3.365 5.350 1.00 0.00 C ATOM 1758 CG1 ILE A 113 -5.218 4.244 4.142 1.00 0.00 C ATOM 1759 CG2 ILE A 113 -6.509 4.095 6.287 1.00 0.00 C ATOM 1760 CD1 ILE A 113 -6.366 4.421 3.167 1.00 0.00 C ATOM 0 H ILE A 113 -3.856 1.807 4.431 1.00 0.00 H new ATOM 0 HA ILE A 113 -3.694 3.867 6.307 1.00 0.00 H new ATOM 0 HB ILE A 113 -6.041 2.460 4.983 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -4.901 5.225 4.497 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -4.370 3.807 3.614 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -7.411 4.375 5.743 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -6.774 3.441 7.118 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -6.024 4.992 6.672 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -6.047 5.055 2.340 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -6.669 3.448 2.781 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -7.208 4.887 3.678 1.00 0.00 H new ATOM 1772 N SER A 114 -5.124 1.051 7.344 1.00 0.00 N ATOM 1773 CA SER A 114 -5.524 0.251 8.491 1.00 0.00 C ATOM 1774 C SER A 114 -4.357 0.074 9.447 1.00 0.00 C ATOM 1775 O SER A 114 -4.542 0.208 10.658 1.00 0.00 O ATOM 1776 CB SER A 114 -6.015 -1.112 8.036 1.00 0.00 C ATOM 1777 OG SER A 114 -7.179 -1.006 7.263 1.00 0.00 O ATOM 0 H SER A 114 -5.231 0.562 6.455 1.00 0.00 H new ATOM 0 HA SER A 114 -6.332 0.772 9.006 1.00 0.00 H new ATOM 0 HB2 SER A 114 -5.235 -1.606 7.456 1.00 0.00 H new ATOM 0 HB3 SER A 114 -6.210 -1.739 8.906 1.00 0.00 H new ATOM 0 HG SER A 114 -6.939 -0.784 6.339 1.00 0.00 H new ATOM 1783 N MET A 115 -3.180 -0.205 8.889 1.00 0.00 N ATOM 1784 CA MET A 115 -1.937 -0.355 9.623 1.00 0.00 C ATOM 1785 C MET A 115 -1.644 0.892 10.421 1.00 0.00 C ATOM 1786 O MET A 115 -1.449 0.819 11.630 1.00 0.00 O ATOM 1787 CB MET A 115 -0.793 -0.642 8.649 1.00 0.00 C ATOM 1788 CG MET A 115 0.593 -0.765 9.253 1.00 0.00 C ATOM 1789 SD MET A 115 1.857 -0.917 7.979 1.00 0.00 S ATOM 1790 CE MET A 115 1.738 0.730 7.284 1.00 0.00 C ATOM 0 H MET A 115 -3.068 -0.336 7.884 1.00 0.00 H new ATOM 0 HA MET A 115 -2.033 -1.192 10.315 1.00 0.00 H new ATOM 0 HB2 MET A 115 -1.019 -1.568 8.121 1.00 0.00 H new ATOM 0 HB3 MET A 115 -0.771 0.153 7.904 1.00 0.00 H new ATOM 0 HG2 MET A 115 0.801 0.109 9.871 1.00 0.00 H new ATOM 0 HG3 MET A 115 0.629 -1.635 9.909 1.00 0.00 H new ATOM 0 HE1 MET A 115 2.629 0.940 6.692 1.00 0.00 H new ATOM 0 HE2 MET A 115 0.856 0.793 6.647 1.00 0.00 H new ATOM 0 HE3 MET A 115 1.657 1.460 8.090 1.00 0.00 H new ATOM 1800 N LEU A 116 -1.641 2.049 9.777 1.00 0.00 N ATOM 1801 CA LEU A 116 -1.342 3.253 10.529 1.00 0.00 C ATOM 1802 C LEU A 116 -2.432 3.629 11.535 1.00 0.00 C ATOM 1803 O LEU A 116 -2.119 4.231 12.562 1.00 0.00 O ATOM 1804 CB LEU A 116 -1.088 4.411 9.565 1.00 0.00 C ATOM 1805 CG LEU A 116 0.189 4.261 8.730 1.00 0.00 C ATOM 1806 CD1 LEU A 116 0.299 5.434 7.762 1.00 0.00 C ATOM 1807 CD2 LEU A 116 1.378 4.163 9.670 1.00 0.00 C ATOM 0 H LEU A 116 -1.832 2.178 8.783 1.00 0.00 H new ATOM 0 HA LEU A 116 -0.446 3.046 11.115 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -1.941 4.503 8.892 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -1.030 5.338 10.135 1.00 0.00 H new ATOM 0 HG LEU A 116 0.164 3.351 8.131 1.00 0.00 H new ATOM 0 HD11 LEU A 116 1.206 5.331 7.167 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -0.569 5.444 7.102 1.00 0.00 H new ATOM 0 HD13 LEU A 116 0.338 6.367 8.324 1.00 0.00 H new ATOM 0 HD21 LEU A 116 2.294 4.056 9.088 1.00 0.00 H new ATOM 0 HD22 LEU A 116 1.437 5.066 10.277 1.00 0.00 H new ATOM 0 HD23 LEU A 116 1.257 3.296 10.320 1.00 0.00 H new ATOM 1819 N SER A 117 -3.701 3.303 11.261 1.00 0.00 N ATOM 1820 CA SER A 117 -4.757 3.608 12.224 1.00 0.00 C ATOM 1821 C SER A 117 -4.785 2.662 13.423 1.00 0.00 C ATOM 1822 O SER A 117 -5.311 3.026 14.476 1.00 0.00 O ATOM 1823 CB SER A 117 -6.120 3.534 11.566 1.00 0.00 C ATOM 1824 OG SER A 117 -6.461 2.210 11.269 1.00 0.00 O ATOM 0 H SER A 117 -4.012 2.842 10.406 1.00 0.00 H new ATOM 0 HA SER A 117 -4.533 4.614 12.578 1.00 0.00 H new ATOM 0 HB2 SER A 117 -6.871 3.967 12.227 1.00 0.00 H new ATOM 0 HB3 SER A 117 -6.119 4.127 10.652 1.00 0.00 H new ATOM 0 HG SER A 117 -5.648 1.699 11.073 1.00 0.00 H new ATOM 1830 N SER A 118 -4.229 1.458 13.278 1.00 0.00 N ATOM 1831 CA SER A 118 -4.211 0.493 14.372 1.00 0.00 C ATOM 1832 C SER A 118 -2.810 0.115 14.831 1.00 0.00 C ATOM 1833 O SER A 118 -2.188 -0.790 14.274 1.00 0.00 O ATOM 1834 CB SER A 118 -4.949 -0.762 13.944 1.00 0.00 C ATOM 1835 OG SER A 118 -4.921 -1.749 14.943 1.00 0.00 O ATOM 0 H SER A 118 -3.788 1.132 12.418 1.00 0.00 H new ATOM 0 HA SER A 118 -4.700 0.973 15.219 1.00 0.00 H new ATOM 0 HB2 SER A 118 -5.984 -0.513 13.708 1.00 0.00 H new ATOM 0 HB3 SER A 118 -4.500 -1.155 13.032 1.00 0.00 H new ATOM 0 HG SER A 118 -5.407 -2.542 14.633 1.00 0.00 H new