USER MOD reduce.3.24.130724 H: found=0, std=0, add=833, rem=0, adj=27 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= 1.43 USER MOD Set 1.2: A 107 SER OG : rot 58:sc= 1.37 USER MOD Set 2.1: A 83 HIS : no HD1:sc= 0 X(o=0,f=-0.074) USER MOD Set 2.2: A 91 CYS SG : rot 180:sc= 0 USER MOD Set 3.1: A 49 TYR OH : rot 1:sc= 1.27 USER MOD Set 3.2: A 81 HIS : no HD1:sc= 1.33 K(o=2.6,f=-8.9!) USER MOD Set 4.1: A 23 MET CE :methyl -156:sc= -2.1 (180deg=-0.87) USER MOD Set 4.2: A 109 CYS SG : rot 22:sc= 0.714 USER MOD Single : A 4 MET CE :methyl 155:sc= -2.44! (180deg=-3.06!) USER MOD Single : A 5 GLN : amide:sc=-0.00202 K(o=-0.002,f=-0.59) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc=-0.00343 K(o=-0.0034,f=-1.4) USER MOD Single : A 17 ASN : amide:sc= -0.0409 K(o=-0.041,f=-1.6!) USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.218 USER MOD Single : A 26 ASN : amide:sc= -0.43 K(o=-0.43,f=-3.2!) USER MOD Single : A 35 THR OG1 : rot -26:sc= 0.123 USER MOD Single : A 36 GLN : amide:sc=-0.00836 X(o=-0.0084,f=-0.018) USER MOD Single : A 41 MET CE :methyl 152:sc= -0.318 (180deg=-0.414) USER MOD Single : A 47 THR OG1 : rot -82:sc= 1.3 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= 0.466 X(o=0.47,f=-0.0039) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot -140:sc= 0.517 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 173:sc= 1.25 USER MOD Single : A 68 SER OG : rot 164:sc= 1.28 USER MOD Single : A 70 GLN : amide:sc= -0.0847 X(o=-0.085,f=-0.085) USER MOD Single : A 72 MET CE :methyl -161:sc= -0.0459 (180deg=-0.446) USER MOD Single : A 74 THR OG1 : rot -149:sc= -0.214 USER MOD Single : A 77 ASN : amide:sc= 0.828 K(o=0.83,f=-2.8!) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -0.0888 K(o=-0.089,f=-8.3!) USER MOD Single : A 89 HIS : no HD1:sc= -0.202 K(o=-0.2,f=-0.95) USER MOD Single : A 93 SER OG : rot 128:sc= 1.23 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.662 USER MOD Single : A 100 SER OG : rot 180:sc= 0.0374 USER MOD Single : A 106 GLN : amide:sc= -0.0207 X(o=-0.021,f=-0.13) USER MOD Single : A 111 SER OG : rot 80:sc= 0.505 USER MOD Single : A 114 SER OG : rot -26:sc= 0.874 USER MOD Single : A 115 MET CE :methyl 172:sc= -0.653 (180deg=-0.736) USER MOD Single : A 117 SER OG : rot 67:sc= 1.21 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 41 N MET A 4 0.598 -6.515 -18.583 1.00 0.00 N ATOM 42 CA MET A 4 0.836 -6.177 -17.191 1.00 0.00 C ATOM 43 C MET A 4 0.696 -4.673 -17.007 1.00 0.00 C ATOM 44 O MET A 4 0.000 -4.211 -16.102 1.00 0.00 O ATOM 45 CB MET A 4 2.221 -6.678 -16.796 1.00 0.00 C ATOM 46 CG MET A 4 2.656 -6.375 -15.378 1.00 0.00 C ATOM 47 SD MET A 4 3.335 -4.716 -15.279 1.00 0.00 S ATOM 48 CE MET A 4 4.821 -5.000 -16.234 1.00 0.00 C ATOM 0 HA MET A 4 0.104 -6.656 -16.541 1.00 0.00 H new ATOM 0 HB2 MET A 4 2.250 -7.758 -16.941 1.00 0.00 H new ATOM 0 HB3 MET A 4 2.951 -6.245 -17.480 1.00 0.00 H new ATOM 0 HG2 MET A 4 1.807 -6.469 -14.701 1.00 0.00 H new ATOM 0 HG3 MET A 4 3.402 -7.101 -15.056 1.00 0.00 H new ATOM 0 HE1 MET A 4 5.159 -4.060 -16.670 1.00 0.00 H new ATOM 0 HE2 MET A 4 5.600 -5.399 -15.585 1.00 0.00 H new ATOM 0 HE3 MET A 4 4.611 -5.714 -17.030 1.00 0.00 H new ATOM 58 N GLN A 5 1.379 -3.924 -17.870 1.00 0.00 N ATOM 59 CA GLN A 5 1.330 -2.474 -17.845 1.00 0.00 C ATOM 60 C GLN A 5 -0.066 -1.989 -18.206 1.00 0.00 C ATOM 61 O GLN A 5 -0.545 -1.039 -17.593 1.00 0.00 O ATOM 62 CB GLN A 5 2.365 -1.875 -18.803 1.00 0.00 C ATOM 63 CG GLN A 5 3.818 -2.044 -18.382 1.00 0.00 C ATOM 64 CD GLN A 5 4.785 -1.520 -19.435 1.00 0.00 C ATOM 65 OE1 GLN A 5 4.567 -1.745 -20.633 1.00 0.00 O ATOM 66 NE2 GLN A 5 5.851 -0.830 -19.031 1.00 0.00 N ATOM 0 H GLN A 5 1.978 -4.308 -18.601 1.00 0.00 H new ATOM 0 HA GLN A 5 1.569 -2.142 -16.835 1.00 0.00 H new ATOM 0 HB2 GLN A 5 2.233 -2.331 -19.784 1.00 0.00 H new ATOM 0 HB3 GLN A 5 2.158 -0.811 -18.915 1.00 0.00 H new ATOM 0 HG2 GLN A 5 3.986 -1.518 -17.442 1.00 0.00 H new ATOM 0 HG3 GLN A 5 4.021 -3.099 -18.197 1.00 0.00 H new ATOM 0 HE21 GLN A 5 6.002 -0.661 -18.036 1.00 0.00 H new ATOM 0 HE22 GLN A 5 6.515 -0.470 -19.716 1.00 0.00 H new ATOM 75 N LYS A 6 -0.720 -2.635 -19.173 1.00 0.00 N ATOM 76 CA LYS A 6 -2.069 -2.261 -19.574 1.00 0.00 C ATOM 77 C LYS A 6 -3.020 -2.420 -18.397 1.00 0.00 C ATOM 78 O LYS A 6 -3.895 -1.574 -18.212 1.00 0.00 O ATOM 79 CB LYS A 6 -2.524 -3.107 -20.761 1.00 0.00 C ATOM 80 CG LYS A 6 -1.818 -2.794 -22.076 1.00 0.00 C ATOM 81 CD LYS A 6 -2.313 -3.710 -23.185 1.00 0.00 C ATOM 82 CE LYS A 6 -1.620 -3.433 -24.511 1.00 0.00 C ATOM 83 NZ LYS A 6 -2.097 -4.352 -25.585 1.00 0.00 N ATOM 0 H LYS A 6 -0.332 -3.422 -19.692 1.00 0.00 H new ATOM 0 HA LYS A 6 -2.073 -1.216 -19.884 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -2.367 -4.159 -20.521 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -3.596 -2.968 -20.898 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -1.995 -1.754 -22.351 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -0.741 -2.912 -21.953 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -2.145 -4.748 -22.899 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -3.389 -3.583 -23.306 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -1.802 -2.400 -24.808 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -0.543 -3.544 -24.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -1.603 -4.134 -26.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -1.900 -5.336 -25.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -3.121 -4.228 -25.719 1.00 0.00 H new ATOM 97 N ARG A 7 -2.859 -3.502 -17.630 1.00 0.00 N ATOM 98 CA ARG A 7 -3.616 -3.703 -16.404 1.00 0.00 C ATOM 99 C ARG A 7 -3.428 -2.537 -15.455 1.00 0.00 C ATOM 100 O ARG A 7 -4.412 -2.009 -14.942 1.00 0.00 O ATOM 101 CB ARG A 7 -3.191 -4.949 -15.659 1.00 0.00 C ATOM 102 CG ARG A 7 -3.949 -5.162 -14.363 1.00 0.00 C ATOM 103 CD ARG A 7 -3.334 -6.257 -13.587 1.00 0.00 C ATOM 104 NE ARG A 7 -3.922 -6.397 -12.266 1.00 0.00 N ATOM 105 CZ ARG A 7 -4.862 -7.290 -11.906 1.00 0.00 C ATOM 106 NH1 ARG A 7 -5.331 -8.150 -12.783 1.00 0.00 N ATOM 107 NH2 ARG A 7 -5.306 -7.321 -10.662 1.00 0.00 N ATOM 0 H ARG A 7 -2.204 -4.254 -17.844 1.00 0.00 H new ATOM 0 HA ARG A 7 -4.657 -3.798 -16.715 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -3.336 -5.816 -16.303 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -2.125 -4.888 -15.442 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -3.945 -4.244 -13.776 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -4.991 -5.399 -14.577 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -3.447 -7.194 -14.133 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -2.264 -6.072 -13.488 1.00 0.00 H new ATOM 0 HE ARG A 7 -3.591 -5.758 -11.543 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -4.982 -8.142 -13.742 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -6.043 -8.825 -12.505 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -4.936 -6.667 -9.972 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -6.019 -7.999 -10.392 1.00 0.00 H new ATOM 121 N LEU A 8 -2.170 -2.155 -15.229 1.00 0.00 N ATOM 122 CA LEU A 8 -1.836 -1.052 -14.339 1.00 0.00 C ATOM 123 C LEU A 8 -2.416 0.271 -14.826 1.00 0.00 C ATOM 124 O LEU A 8 -2.804 1.102 -14.003 1.00 0.00 O ATOM 125 CB LEU A 8 -0.314 -0.953 -14.210 1.00 0.00 C ATOM 126 CG LEU A 8 0.362 -2.098 -13.455 1.00 0.00 C ATOM 127 CD1 LEU A 8 1.872 -1.954 -13.576 1.00 0.00 C ATOM 128 CD2 LEU A 8 -0.088 -2.056 -12.003 1.00 0.00 C ATOM 0 H LEU A 8 -1.360 -2.602 -15.658 1.00 0.00 H new ATOM 0 HA LEU A 8 -2.279 -1.254 -13.364 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.115 -0.899 -15.211 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -0.070 -0.017 -13.708 1.00 0.00 H new ATOM 0 HG LEU A 8 0.080 -3.063 -13.877 1.00 0.00 H new ATOM 0 HD11 LEU A 8 2.359 -2.768 -13.039 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.158 -1.990 -14.627 1.00 0.00 H new ATOM 0 HD13 LEU A 8 2.182 -1.001 -13.148 1.00 0.00 H new ATOM 0 HD21 LEU A 8 0.386 -2.868 -11.451 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.198 -1.101 -11.561 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -1.171 -2.169 -11.954 1.00 0.00 H new ATOM 140 N GLN A 9 -2.469 0.468 -16.145 1.00 0.00 N ATOM 141 CA GLN A 9 -3.081 1.657 -16.718 1.00 0.00 C ATOM 142 C GLN A 9 -4.564 1.662 -16.388 1.00 0.00 C ATOM 143 O GLN A 9 -5.106 2.711 -16.048 1.00 0.00 O ATOM 144 CB GLN A 9 -2.891 1.706 -18.238 1.00 0.00 C ATOM 145 CG GLN A 9 -1.470 1.961 -18.703 1.00 0.00 C ATOM 146 CD GLN A 9 -1.327 1.873 -20.210 1.00 0.00 C ATOM 147 OE1 GLN A 9 -2.107 1.197 -20.887 1.00 0.00 O ATOM 148 NE2 GLN A 9 -0.325 2.561 -20.745 1.00 0.00 N ATOM 0 H GLN A 9 -2.093 -0.185 -16.833 1.00 0.00 H new ATOM 0 HA GLN A 9 -2.597 2.535 -16.291 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -3.231 0.761 -18.661 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -3.535 2.487 -18.644 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -1.154 2.949 -18.368 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -0.803 1.237 -18.235 1.00 0.00 H new ATOM 0 HE21 GLN A 9 0.296 3.107 -20.147 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -0.176 2.544 -21.754 1.00 0.00 H new ATOM 157 N LYS A 10 -5.206 0.500 -16.493 1.00 0.00 N ATOM 158 CA LYS A 10 -6.614 0.364 -16.153 1.00 0.00 C ATOM 159 C LYS A 10 -6.856 0.549 -14.660 1.00 0.00 C ATOM 160 O LYS A 10 -7.903 1.078 -14.282 1.00 0.00 O ATOM 161 CB LYS A 10 -7.127 -0.998 -16.610 1.00 0.00 C ATOM 162 CG LYS A 10 -7.230 -1.146 -18.120 1.00 0.00 C ATOM 163 CD LYS A 10 -7.705 -2.539 -18.502 1.00 0.00 C ATOM 164 CE LYS A 10 -7.795 -2.702 -20.012 1.00 0.00 C ATOM 165 NZ LYS A 10 -8.235 -4.072 -20.394 1.00 0.00 N ATOM 0 H LYS A 10 -4.767 -0.363 -16.813 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.162 1.151 -16.671 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -6.464 -1.773 -16.224 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -8.109 -1.171 -16.171 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -7.921 -0.402 -18.515 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -6.259 -0.952 -18.575 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -7.020 -3.283 -18.095 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -8.682 -2.727 -18.056 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -8.494 -1.970 -20.416 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -6.823 -2.495 -20.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -8.284 -4.144 -21.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -7.554 -4.769 -20.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -9.174 -4.261 -19.989 1.00 0.00 H new ATOM 179 N GLU A 11 -5.910 0.113 -13.817 1.00 0.00 N ATOM 180 CA GLU A 11 -6.037 0.301 -12.377 1.00 0.00 C ATOM 181 C GLU A 11 -6.017 1.804 -12.089 1.00 0.00 C ATOM 182 O GLU A 11 -6.784 2.271 -11.244 1.00 0.00 O ATOM 183 CB GLU A 11 -4.918 -0.427 -11.604 1.00 0.00 C ATOM 184 CG GLU A 11 -4.965 -1.961 -11.623 1.00 0.00 C ATOM 185 CD GLU A 11 -3.858 -2.592 -10.817 1.00 0.00 C ATOM 186 OE1 GLU A 11 -3.210 -1.839 -10.131 1.00 0.00 O ATOM 187 OE2 GLU A 11 -3.639 -3.787 -10.864 1.00 0.00 O ATOM 0 H GLU A 11 -5.059 -0.367 -14.110 1.00 0.00 H new ATOM 0 HA GLU A 11 -6.977 -0.133 -12.037 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -3.958 -0.109 -12.011 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -4.949 -0.097 -10.566 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.927 -2.295 -11.234 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -4.901 -2.309 -12.654 1.00 0.00 H new ATOM 194 N LEU A 12 -5.140 2.538 -12.785 1.00 0.00 N ATOM 195 CA LEU A 12 -5.081 3.994 -12.700 1.00 0.00 C ATOM 196 C LEU A 12 -6.368 4.639 -13.180 1.00 0.00 C ATOM 197 O LEU A 12 -6.843 5.568 -12.535 1.00 0.00 O ATOM 198 CB LEU A 12 -3.928 4.585 -13.511 1.00 0.00 C ATOM 199 CG LEU A 12 -3.899 6.122 -13.478 1.00 0.00 C ATOM 200 CD1 LEU A 12 -3.723 6.605 -12.044 1.00 0.00 C ATOM 201 CD2 LEU A 12 -2.777 6.631 -14.367 1.00 0.00 C ATOM 0 H LEU A 12 -4.453 2.135 -13.422 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.924 4.211 -11.643 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.984 4.201 -13.124 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -4.009 4.250 -14.545 1.00 0.00 H new ATOM 0 HG LEU A 12 -4.843 6.515 -13.856 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -3.703 7.695 -12.027 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -4.553 6.248 -11.435 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.786 6.219 -11.642 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.759 7.721 -14.342 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.824 6.244 -14.007 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.943 6.294 -15.390 1.00 0.00 H new ATOM 213 N LEU A 13 -6.903 4.204 -14.317 1.00 0.00 N ATOM 214 CA LEU A 13 -8.144 4.774 -14.824 1.00 0.00 C ATOM 215 C LEU A 13 -9.299 4.588 -13.845 1.00 0.00 C ATOM 216 O LEU A 13 -10.110 5.501 -13.672 1.00 0.00 O ATOM 217 CB LEU A 13 -8.499 4.112 -16.159 1.00 0.00 C ATOM 218 CG LEU A 13 -7.585 4.457 -17.341 1.00 0.00 C ATOM 219 CD1 LEU A 13 -7.938 3.568 -18.525 1.00 0.00 C ATOM 220 CD2 LEU A 13 -7.760 5.925 -17.687 1.00 0.00 C ATOM 0 H LEU A 13 -6.502 3.468 -14.898 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.989 5.845 -14.958 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.489 3.031 -16.020 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -9.520 4.391 -16.421 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.541 4.282 -17.081 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -7.290 3.810 -19.368 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.799 2.523 -18.249 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -8.978 3.734 -18.807 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -7.114 6.180 -18.527 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -8.799 6.114 -17.958 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -7.493 6.536 -16.825 1.00 0.00 H new ATOM 232 N ALA A 14 -9.370 3.414 -13.216 1.00 0.00 N ATOM 233 CA ALA A 14 -10.390 3.142 -12.215 1.00 0.00 C ATOM 234 C ALA A 14 -10.202 4.083 -11.029 1.00 0.00 C ATOM 235 O ALA A 14 -11.192 4.589 -10.501 1.00 0.00 O ATOM 236 CB ALA A 14 -10.324 1.687 -11.788 1.00 0.00 C ATOM 0 H ALA A 14 -8.730 2.638 -13.386 1.00 0.00 H new ATOM 0 HA ALA A 14 -11.379 3.318 -12.637 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -11.091 1.493 -11.038 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -10.491 1.046 -12.653 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -9.342 1.476 -11.365 1.00 0.00 H new ATOM 242 N LEU A 15 -8.950 4.276 -10.611 1.00 0.00 N ATOM 243 CA LEU A 15 -8.565 5.221 -9.570 1.00 0.00 C ATOM 244 C LEU A 15 -9.013 6.625 -9.896 1.00 0.00 C ATOM 245 O LEU A 15 -9.525 7.332 -9.035 1.00 0.00 O ATOM 246 CB LEU A 15 -7.059 5.205 -9.350 1.00 0.00 C ATOM 247 CG LEU A 15 -6.552 6.103 -8.230 1.00 0.00 C ATOM 248 CD1 LEU A 15 -5.291 5.500 -7.704 1.00 0.00 C ATOM 249 CD2 LEU A 15 -6.252 7.496 -8.763 1.00 0.00 C ATOM 0 H LEU A 15 -8.158 3.764 -10.999 1.00 0.00 H new ATOM 0 HA LEU A 15 -9.065 4.905 -8.654 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -6.751 4.181 -9.139 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -6.570 5.500 -10.279 1.00 0.00 H new ATOM 0 HG LEU A 15 -7.307 6.186 -7.448 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.900 6.120 -6.898 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -5.497 4.499 -7.325 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.555 5.440 -8.505 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -5.891 8.126 -7.951 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -5.490 7.432 -9.539 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -7.161 7.929 -9.181 1.00 0.00 H new ATOM 261 N GLN A 16 -8.774 7.066 -11.124 1.00 0.00 N ATOM 262 CA GLN A 16 -9.182 8.398 -11.527 1.00 0.00 C ATOM 263 C GLN A 16 -10.694 8.545 -11.400 1.00 0.00 C ATOM 264 O GLN A 16 -11.179 9.614 -11.025 1.00 0.00 O ATOM 265 CB GLN A 16 -8.709 8.672 -12.954 1.00 0.00 C ATOM 266 CG GLN A 16 -7.200 8.825 -13.069 1.00 0.00 C ATOM 267 CD GLN A 16 -6.737 8.990 -14.501 1.00 0.00 C ATOM 268 OE1 GLN A 16 -7.469 8.681 -15.445 1.00 0.00 O ATOM 269 NE2 GLN A 16 -5.515 9.483 -14.674 1.00 0.00 N ATOM 0 H GLN A 16 -8.304 6.524 -11.849 1.00 0.00 H new ATOM 0 HA GLN A 16 -8.722 9.136 -10.870 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -9.035 7.857 -13.600 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -9.188 9.580 -13.320 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -6.881 9.689 -12.486 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -6.716 7.951 -12.633 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -4.943 9.725 -13.865 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -5.149 9.619 -15.616 1.00 0.00 H new ATOM 278 N ASN A 17 -11.444 7.496 -11.730 1.00 0.00 N ATOM 279 CA ASN A 17 -12.885 7.543 -11.529 1.00 0.00 C ATOM 280 C ASN A 17 -13.282 7.522 -10.043 1.00 0.00 C ATOM 281 O ASN A 17 -14.222 8.217 -9.653 1.00 0.00 O ATOM 282 CB ASN A 17 -13.535 6.398 -12.276 1.00 0.00 C ATOM 283 CG ASN A 17 -13.528 6.626 -13.761 1.00 0.00 C ATOM 284 OD1 ASN A 17 -13.417 7.766 -14.228 1.00 0.00 O ATOM 285 ND2 ASN A 17 -13.644 5.564 -14.516 1.00 0.00 N ATOM 0 H ASN A 17 -11.088 6.626 -12.127 1.00 0.00 H new ATOM 0 HA ASN A 17 -13.243 8.493 -11.925 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -13.010 5.470 -12.048 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -14.562 6.276 -11.932 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -13.645 5.658 -15.532 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -13.733 4.642 -14.089 1.00 0.00 H new ATOM 292 N ASP A 18 -12.591 6.730 -9.219 1.00 0.00 N ATOM 293 CA ASP A 18 -12.874 6.660 -7.786 1.00 0.00 C ATOM 294 C ASP A 18 -11.639 6.230 -6.980 1.00 0.00 C ATOM 295 O ASP A 18 -11.454 5.033 -6.758 1.00 0.00 O ATOM 296 CB ASP A 18 -14.019 5.677 -7.534 1.00 0.00 C ATOM 297 CG ASP A 18 -14.482 5.633 -6.084 1.00 0.00 C ATOM 298 OD1 ASP A 18 -13.882 6.288 -5.265 1.00 0.00 O ATOM 299 OD2 ASP A 18 -15.433 4.941 -5.808 1.00 0.00 O ATOM 0 H ASP A 18 -11.828 6.126 -9.524 1.00 0.00 H new ATOM 0 HA ASP A 18 -13.158 7.659 -7.454 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -14.864 5.947 -8.168 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -13.701 4.679 -7.835 1.00 0.00 H new ATOM 304 N PRO A 19 -10.792 7.163 -6.529 1.00 0.00 N ATOM 305 CA PRO A 19 -9.573 6.888 -5.794 1.00 0.00 C ATOM 306 C PRO A 19 -9.759 6.523 -4.318 1.00 0.00 C ATOM 307 O PRO A 19 -10.772 6.905 -3.730 1.00 0.00 O ATOM 308 CB PRO A 19 -8.858 8.236 -5.935 1.00 0.00 C ATOM 309 CG PRO A 19 -9.973 9.246 -6.015 1.00 0.00 C ATOM 310 CD PRO A 19 -11.114 8.576 -6.754 1.00 0.00 C ATOM 0 HA PRO A 19 -9.051 6.012 -6.178 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -8.206 8.431 -5.083 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -8.233 8.263 -6.828 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -10.287 9.556 -5.018 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -9.646 10.143 -6.540 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -12.087 8.848 -6.346 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -11.129 8.833 -7.813 1.00 0.00 H new ATOM 318 N PRO A 20 -8.824 5.779 -3.708 1.00 0.00 N ATOM 319 CA PRO A 20 -8.815 5.460 -2.293 1.00 0.00 C ATOM 320 C PRO A 20 -8.786 6.747 -1.439 1.00 0.00 C ATOM 321 O PRO A 20 -8.202 7.743 -1.875 1.00 0.00 O ATOM 322 CB PRO A 20 -7.521 4.640 -2.168 1.00 0.00 C ATOM 323 CG PRO A 20 -7.278 4.096 -3.548 1.00 0.00 C ATOM 324 CD PRO A 20 -7.763 5.162 -4.512 1.00 0.00 C ATOM 0 HA PRO A 20 -9.696 4.924 -1.941 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -6.689 5.261 -1.835 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -7.630 3.837 -1.439 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -6.220 3.883 -3.702 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -7.817 3.160 -3.698 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -6.978 5.870 -4.778 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -8.140 4.740 -5.443 1.00 0.00 H new ATOM 332 N PRO A 21 -9.399 6.750 -0.247 1.00 0.00 N ATOM 333 CA PRO A 21 -9.487 7.890 0.651 1.00 0.00 C ATOM 334 C PRO A 21 -8.178 8.594 0.983 1.00 0.00 C ATOM 335 O PRO A 21 -7.323 8.052 1.679 1.00 0.00 O ATOM 336 CB PRO A 21 -10.049 7.207 1.907 1.00 0.00 C ATOM 337 CG PRO A 21 -10.825 6.032 1.389 1.00 0.00 C ATOM 338 CD PRO A 21 -10.037 5.511 0.213 1.00 0.00 C ATOM 0 HA PRO A 21 -10.071 8.698 0.210 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -9.249 6.889 2.576 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -10.688 7.884 2.473 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -10.936 5.266 2.157 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -11.830 6.328 1.087 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -9.310 4.753 0.504 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -10.675 5.065 -0.550 1.00 0.00 H new ATOM 346 N GLY A 22 -8.035 9.831 0.517 1.00 0.00 N ATOM 347 CA GLY A 22 -6.832 10.601 0.809 1.00 0.00 C ATOM 348 C GLY A 22 -5.623 10.120 0.010 1.00 0.00 C ATOM 349 O GLY A 22 -4.487 10.339 0.429 1.00 0.00 O ATOM 0 H GLY A 22 -8.726 10.315 -0.056 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -7.015 11.653 0.588 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -6.610 10.533 1.874 1.00 0.00 H new ATOM 353 N MET A 23 -5.856 9.453 -1.124 1.00 0.00 N ATOM 354 CA MET A 23 -4.778 8.912 -1.948 1.00 0.00 C ATOM 355 C MET A 23 -4.794 9.248 -3.441 1.00 0.00 C ATOM 356 O MET A 23 -5.822 9.108 -4.106 1.00 0.00 O ATOM 357 CB MET A 23 -4.834 7.399 -1.798 1.00 0.00 C ATOM 358 CG MET A 23 -3.804 6.615 -2.577 1.00 0.00 C ATOM 359 SD MET A 23 -4.346 6.285 -4.263 1.00 0.00 S ATOM 360 CE MET A 23 -3.166 5.080 -4.860 1.00 0.00 C ATOM 0 H MET A 23 -6.790 9.275 -1.492 1.00 0.00 H new ATOM 0 HA MET A 23 -3.865 9.383 -1.584 1.00 0.00 H new ATOM 0 HB2 MET A 23 -4.724 7.155 -0.741 1.00 0.00 H new ATOM 0 HB3 MET A 23 -5.825 7.061 -2.102 1.00 0.00 H new ATOM 0 HG2 MET A 23 -2.866 7.170 -2.599 1.00 0.00 H new ATOM 0 HG3 MET A 23 -3.605 5.672 -2.068 1.00 0.00 H new ATOM 0 HE1 MET A 23 -3.123 5.121 -5.948 1.00 0.00 H new ATOM 0 HE2 MET A 23 -2.181 5.301 -4.449 1.00 0.00 H new ATOM 0 HE3 MET A 23 -3.474 4.083 -4.547 1.00 0.00 H new ATOM 370 N THR A 24 -3.640 9.690 -3.964 1.00 0.00 N ATOM 371 CA THR A 24 -3.495 9.984 -5.393 1.00 0.00 C ATOM 372 C THR A 24 -2.389 9.116 -6.003 1.00 0.00 C ATOM 373 O THR A 24 -1.503 8.635 -5.296 1.00 0.00 O ATOM 374 CB THR A 24 -3.169 11.467 -5.653 1.00 0.00 C ATOM 375 OG1 THR A 24 -1.890 11.780 -5.093 1.00 0.00 O ATOM 376 CG2 THR A 24 -4.221 12.365 -5.020 1.00 0.00 C ATOM 0 H THR A 24 -2.795 9.851 -3.416 1.00 0.00 H new ATOM 0 HA THR A 24 -4.453 9.759 -5.861 1.00 0.00 H new ATOM 0 HB THR A 24 -3.159 11.636 -6.730 1.00 0.00 H new ATOM 0 HG1 THR A 24 -1.682 12.723 -5.260 1.00 0.00 H new ATOM 0 HG21 THR A 24 -3.973 13.409 -5.214 1.00 0.00 H new ATOM 0 HG22 THR A 24 -5.198 12.138 -5.447 1.00 0.00 H new ATOM 0 HG23 THR A 24 -4.247 12.193 -3.944 1.00 0.00 H new ATOM 384 N LEU A 25 -2.392 8.986 -7.331 1.00 0.00 N ATOM 385 CA LEU A 25 -1.438 8.103 -8.005 1.00 0.00 C ATOM 386 C LEU A 25 -0.886 8.571 -9.353 1.00 0.00 C ATOM 387 O LEU A 25 -1.642 9.004 -10.225 1.00 0.00 O ATOM 388 CB LEU A 25 -2.126 6.758 -8.268 1.00 0.00 C ATOM 389 CG LEU A 25 -1.313 5.674 -8.984 1.00 0.00 C ATOM 390 CD1 LEU A 25 -0.198 5.231 -8.070 1.00 0.00 C ATOM 391 CD2 LEU A 25 -2.170 4.470 -9.335 1.00 0.00 C ATOM 0 H LEU A 25 -3.035 9.474 -7.954 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.588 8.066 -7.324 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.453 6.355 -7.310 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.023 6.949 -8.857 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.921 6.092 -9.912 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.392 4.459 -8.564 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.441 6.082 -7.837 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.620 4.831 -7.148 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.558 3.723 -9.841 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.586 4.041 -8.423 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.982 4.781 -9.993 1.00 0.00 H new ATOM 403 N ASN A 26 0.434 8.485 -9.516 1.00 0.00 N ATOM 404 CA ASN A 26 1.057 8.763 -10.810 1.00 0.00 C ATOM 405 C ASN A 26 2.371 8.000 -10.863 1.00 0.00 C ATOM 406 O ASN A 26 2.784 7.457 -9.846 1.00 0.00 O ATOM 407 CB ASN A 26 1.235 10.253 -11.040 1.00 0.00 C ATOM 408 CG ASN A 26 2.121 10.936 -10.036 1.00 0.00 C ATOM 409 OD1 ASN A 26 3.250 10.514 -9.769 1.00 0.00 O ATOM 410 ND2 ASN A 26 1.620 12.007 -9.473 1.00 0.00 N ATOM 0 H ASN A 26 1.087 8.228 -8.776 1.00 0.00 H new ATOM 0 HA ASN A 26 0.411 8.427 -11.621 1.00 0.00 H new ATOM 0 HB2 ASN A 26 1.650 10.407 -12.036 1.00 0.00 H new ATOM 0 HB3 ASN A 26 0.255 10.730 -11.025 1.00 0.00 H new ATOM 0 HD21 ASN A 26 2.167 12.525 -8.786 1.00 0.00 H new ATOM 0 HD22 ASN A 26 0.682 12.323 -9.722 1.00 0.00 H new ATOM 542 N THR A 35 5.480 0.834 -13.954 1.00 0.00 N ATOM 543 CA THR A 35 5.584 -0.097 -12.842 1.00 0.00 C ATOM 544 C THR A 35 6.222 0.532 -11.611 1.00 0.00 C ATOM 545 O THR A 35 6.164 -0.051 -10.530 1.00 0.00 O ATOM 546 CB THR A 35 6.391 -1.327 -13.257 1.00 0.00 C ATOM 547 OG1 THR A 35 7.680 -0.913 -13.728 1.00 0.00 O ATOM 548 CG2 THR A 35 5.670 -2.086 -14.345 1.00 0.00 C ATOM 0 HA THR A 35 4.567 -0.386 -12.577 1.00 0.00 H new ATOM 0 HB THR A 35 6.509 -1.983 -12.394 1.00 0.00 H new ATOM 0 HG1 THR A 35 7.625 0.005 -14.066 1.00 0.00 H new ATOM 0 HG21 THR A 35 6.257 -2.959 -14.630 1.00 0.00 H new ATOM 0 HG22 THR A 35 4.695 -2.408 -13.979 1.00 0.00 H new ATOM 0 HG23 THR A 35 5.537 -1.440 -15.212 1.00 0.00 H new ATOM 556 N GLN A 36 6.904 1.668 -11.788 1.00 0.00 N ATOM 557 CA GLN A 36 7.436 2.463 -10.688 1.00 0.00 C ATOM 558 C GLN A 36 6.387 3.502 -10.299 1.00 0.00 C ATOM 559 O GLN A 36 6.411 4.623 -10.812 1.00 0.00 O ATOM 560 CB GLN A 36 8.742 3.143 -11.081 1.00 0.00 C ATOM 561 CG GLN A 36 9.892 2.203 -11.387 1.00 0.00 C ATOM 562 CD GLN A 36 10.439 1.545 -10.133 1.00 0.00 C ATOM 563 OE1 GLN A 36 10.915 2.214 -9.207 1.00 0.00 O ATOM 564 NE2 GLN A 36 10.375 0.219 -10.098 1.00 0.00 N ATOM 0 H GLN A 36 7.101 2.061 -12.708 1.00 0.00 H new ATOM 0 HA GLN A 36 7.654 1.813 -9.841 1.00 0.00 H new ATOM 0 HB2 GLN A 36 8.560 3.766 -11.957 1.00 0.00 H new ATOM 0 HB3 GLN A 36 9.044 3.810 -10.273 1.00 0.00 H new ATOM 0 HG2 GLN A 36 9.556 1.434 -12.083 1.00 0.00 H new ATOM 0 HG3 GLN A 36 10.690 2.756 -11.884 1.00 0.00 H new ATOM 0 HE21 GLN A 36 9.974 -0.293 -10.884 1.00 0.00 H new ATOM 0 HE22 GLN A 36 10.726 -0.287 -9.285 1.00 0.00 H new ATOM 573 N TRP A 37 5.473 3.147 -9.395 1.00 0.00 N ATOM 574 CA TRP A 37 4.414 4.092 -9.053 1.00 0.00 C ATOM 575 C TRP A 37 4.658 4.895 -7.784 1.00 0.00 C ATOM 576 O TRP A 37 5.205 4.417 -6.785 1.00 0.00 O ATOM 577 CB TRP A 37 3.056 3.421 -8.875 1.00 0.00 C ATOM 578 CG TRP A 37 2.372 2.855 -10.087 1.00 0.00 C ATOM 579 CD1 TRP A 37 2.415 1.551 -10.428 1.00 0.00 C ATOM 580 CD2 TRP A 37 1.559 3.495 -11.103 1.00 0.00 C ATOM 581 NE1 TRP A 37 1.684 1.320 -11.564 1.00 0.00 N ATOM 582 CE2 TRP A 37 1.155 2.504 -11.997 1.00 0.00 C ATOM 583 CE3 TRP A 37 1.147 4.802 -11.328 1.00 0.00 C ATOM 584 CZ2 TRP A 37 0.359 2.784 -13.096 1.00 0.00 C ATOM 585 CZ3 TRP A 37 0.355 5.096 -12.428 1.00 0.00 C ATOM 586 CH2 TRP A 37 -0.028 4.105 -13.293 1.00 0.00 C ATOM 0 H TRP A 37 5.443 2.252 -8.906 1.00 0.00 H new ATOM 0 HA TRP A 37 4.420 4.763 -9.912 1.00 0.00 H new ATOM 0 HB2 TRP A 37 3.178 2.612 -8.155 1.00 0.00 H new ATOM 0 HB3 TRP A 37 2.383 4.150 -8.424 1.00 0.00 H new ATOM 0 HD1 TRP A 37 2.953 0.791 -9.880 1.00 0.00 H new ATOM 0 HE1 TRP A 37 1.556 0.413 -12.013 1.00 0.00 H new ATOM 0 HE3 TRP A 37 1.443 5.587 -10.648 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 0.050 2.004 -13.776 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 0.038 6.113 -12.604 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -0.643 4.355 -14.145 1.00 0.00 H new ATOM 597 N ILE A 38 4.189 6.135 -7.858 1.00 0.00 N ATOM 598 CA ILE A 38 4.218 7.137 -6.805 1.00 0.00 C ATOM 599 C ILE A 38 2.846 7.385 -6.186 1.00 0.00 C ATOM 600 O ILE A 38 1.897 7.814 -6.847 1.00 0.00 O ATOM 601 CB ILE A 38 4.726 8.480 -7.345 1.00 0.00 C ATOM 602 CG1 ILE A 38 6.148 8.345 -7.884 1.00 0.00 C ATOM 603 CG2 ILE A 38 4.626 9.538 -6.267 1.00 0.00 C ATOM 604 CD1 ILE A 38 6.596 9.591 -8.607 1.00 0.00 C ATOM 0 H ILE A 38 3.751 6.487 -8.709 1.00 0.00 H new ATOM 0 HA ILE A 38 4.887 6.740 -6.042 1.00 0.00 H new ATOM 0 HB ILE A 38 4.099 8.791 -8.180 1.00 0.00 H new ATOM 0 HG12 ILE A 38 6.831 8.138 -7.060 1.00 0.00 H new ATOM 0 HG13 ILE A 38 6.200 7.493 -8.562 1.00 0.00 H new ATOM 0 HG21 ILE A 38 4.988 10.489 -6.656 1.00 0.00 H new ATOM 0 HG22 ILE A 38 3.586 9.645 -5.957 1.00 0.00 H new ATOM 0 HG23 ILE A 38 5.231 9.243 -5.410 1.00 0.00 H new ATOM 0 HD11 ILE A 38 7.613 9.453 -8.974 1.00 0.00 H new ATOM 0 HD12 ILE A 38 5.929 9.783 -9.448 1.00 0.00 H new ATOM 0 HD13 ILE A 38 6.570 10.438 -7.922 1.00 0.00 H new ATOM 616 N VAL A 39 2.732 7.118 -4.893 1.00 0.00 N ATOM 617 CA VAL A 39 1.463 7.348 -4.220 1.00 0.00 C ATOM 618 C VAL A 39 1.532 8.436 -3.178 1.00 0.00 C ATOM 619 O VAL A 39 2.325 8.359 -2.248 1.00 0.00 O ATOM 620 CB VAL A 39 0.981 6.080 -3.529 1.00 0.00 C ATOM 621 CG1 VAL A 39 -0.298 6.369 -2.787 1.00 0.00 C ATOM 622 CG2 VAL A 39 0.765 4.986 -4.552 1.00 0.00 C ATOM 0 H VAL A 39 3.480 6.752 -4.303 1.00 0.00 H new ATOM 0 HA VAL A 39 0.772 7.658 -5.004 1.00 0.00 H new ATOM 0 HB VAL A 39 1.735 5.743 -2.817 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.644 5.462 -2.292 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.119 7.144 -2.041 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.057 6.711 -3.490 1.00 0.00 H new ATOM 0 HG21 VAL A 39 0.420 4.082 -4.050 1.00 0.00 H new ATOM 0 HG22 VAL A 39 0.016 5.307 -5.276 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.703 4.780 -5.068 1.00 0.00 H new ATOM 632 N ASP A 40 0.690 9.449 -3.303 1.00 0.00 N ATOM 633 CA ASP A 40 0.736 10.499 -2.296 1.00 0.00 C ATOM 634 C ASP A 40 -0.477 10.382 -1.385 1.00 0.00 C ATOM 635 O ASP A 40 -1.618 10.288 -1.840 1.00 0.00 O ATOM 636 CB ASP A 40 0.847 11.882 -2.937 1.00 0.00 C ATOM 637 CG ASP A 40 2.205 12.130 -3.600 1.00 0.00 C ATOM 638 OD1 ASP A 40 3.159 11.471 -3.256 1.00 0.00 O ATOM 639 OD2 ASP A 40 2.275 12.991 -4.444 1.00 0.00 O ATOM 0 H ASP A 40 0.002 9.567 -4.047 1.00 0.00 H new ATOM 0 HA ASP A 40 1.632 10.373 -1.689 1.00 0.00 H new ATOM 0 HB2 ASP A 40 0.060 11.995 -3.682 1.00 0.00 H new ATOM 0 HB3 ASP A 40 0.677 12.643 -2.176 1.00 0.00 H new ATOM 644 N MET A 41 -0.229 10.363 -0.078 1.00 0.00 N ATOM 645 CA MET A 41 -1.322 10.256 0.874 1.00 0.00 C ATOM 646 C MET A 41 -1.296 11.196 2.061 1.00 0.00 C ATOM 647 O MET A 41 -0.248 11.664 2.507 1.00 0.00 O ATOM 648 CB MET A 41 -1.401 8.868 1.484 1.00 0.00 C ATOM 649 CG MET A 41 -1.775 7.683 0.622 1.00 0.00 C ATOM 650 SD MET A 41 -1.861 6.207 1.655 1.00 0.00 S ATOM 651 CE MET A 41 -2.308 4.917 0.515 1.00 0.00 C ATOM 0 H MET A 41 0.701 10.419 0.337 1.00 0.00 H new ATOM 0 HA MET A 41 -2.173 10.517 0.245 1.00 0.00 H new ATOM 0 HB2 MET A 41 -0.428 8.653 1.927 1.00 0.00 H new ATOM 0 HB3 MET A 41 -2.120 8.914 2.302 1.00 0.00 H new ATOM 0 HG2 MET A 41 -2.735 7.859 0.137 1.00 0.00 H new ATOM 0 HG3 MET A 41 -1.038 7.546 -0.169 1.00 0.00 H new ATOM 0 HE1 MET A 41 -1.921 3.964 0.875 1.00 0.00 H new ATOM 0 HE2 MET A 41 -3.394 4.862 0.436 1.00 0.00 H new ATOM 0 HE3 MET A 41 -1.883 5.134 -0.465 1.00 0.00 H new ATOM 661 N GLU A 42 -2.496 11.461 2.570 1.00 0.00 N ATOM 662 CA GLU A 42 -2.639 12.249 3.787 1.00 0.00 C ATOM 663 C GLU A 42 -3.409 11.446 4.834 1.00 0.00 C ATOM 664 O GLU A 42 -4.424 10.820 4.526 1.00 0.00 O ATOM 665 CB GLU A 42 -3.331 13.587 3.540 1.00 0.00 C ATOM 666 CG GLU A 42 -3.438 14.438 4.802 1.00 0.00 C ATOM 667 CD GLU A 42 -4.044 15.791 4.561 1.00 0.00 C ATOM 668 OE1 GLU A 42 -4.304 16.108 3.425 1.00 0.00 O ATOM 669 OE2 GLU A 42 -4.244 16.513 5.509 1.00 0.00 O ATOM 0 H GLU A 42 -3.375 11.144 2.162 1.00 0.00 H new ATOM 0 HA GLU A 42 -1.636 12.471 4.151 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.781 14.141 2.779 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.330 13.407 3.143 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.038 13.906 5.540 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.444 14.565 5.231 1.00 0.00 H new ATOM 676 N GLY A 43 -2.906 11.468 6.065 1.00 0.00 N ATOM 677 CA GLY A 43 -3.485 10.771 7.204 1.00 0.00 C ATOM 678 C GLY A 43 -4.933 11.159 7.456 1.00 0.00 C ATOM 679 O GLY A 43 -5.246 12.315 7.748 1.00 0.00 O ATOM 0 H GLY A 43 -2.060 11.987 6.302 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -3.426 9.696 7.035 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -2.895 10.987 8.095 1.00 0.00 H new ATOM 683 N ALA A 44 -5.798 10.154 7.350 1.00 0.00 N ATOM 684 CA ALA A 44 -7.238 10.288 7.510 1.00 0.00 C ATOM 685 C ALA A 44 -7.652 10.884 8.870 1.00 0.00 C ATOM 686 O ALA A 44 -7.101 10.486 9.904 1.00 0.00 O ATOM 687 CB ALA A 44 -7.900 8.927 7.357 1.00 0.00 C ATOM 0 H ALA A 44 -5.506 9.199 7.145 1.00 0.00 H new ATOM 0 HA ALA A 44 -7.568 10.980 6.735 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -8.978 9.031 7.477 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.683 8.526 6.367 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -7.514 8.247 8.117 1.00 0.00 H new ATOM 693 N PRO A 45 -8.607 11.831 8.870 1.00 0.00 N ATOM 694 CA PRO A 45 -9.164 12.456 10.048 1.00 0.00 C ATOM 695 C PRO A 45 -9.703 11.471 11.060 1.00 0.00 C ATOM 696 O PRO A 45 -10.431 10.538 10.714 1.00 0.00 O ATOM 697 CB PRO A 45 -10.275 13.314 9.437 1.00 0.00 C ATOM 698 CG PRO A 45 -9.778 13.632 8.058 1.00 0.00 C ATOM 699 CD PRO A 45 -9.055 12.397 7.589 1.00 0.00 C ATOM 0 HA PRO A 45 -8.425 13.011 10.626 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -11.222 12.775 9.405 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -10.444 14.220 10.018 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -10.604 13.878 7.391 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -9.111 14.494 8.072 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -9.710 11.717 7.044 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -8.221 12.633 6.928 1.00 0.00 H new ATOM 707 N GLY A 46 -9.360 11.701 12.320 1.00 0.00 N ATOM 708 CA GLY A 46 -9.806 10.838 13.396 1.00 0.00 C ATOM 709 C GLY A 46 -8.828 9.708 13.688 1.00 0.00 C ATOM 710 O GLY A 46 -9.040 8.959 14.644 1.00 0.00 O ATOM 0 H GLY A 46 -8.773 12.480 12.619 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -9.947 11.433 14.298 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -10.777 10.415 13.138 1.00 0.00 H new ATOM 714 N THR A 47 -7.767 9.559 12.889 1.00 0.00 N ATOM 715 CA THR A 47 -6.829 8.485 13.175 1.00 0.00 C ATOM 716 C THR A 47 -5.596 9.039 13.853 1.00 0.00 C ATOM 717 O THR A 47 -5.376 10.248 13.919 1.00 0.00 O ATOM 718 CB THR A 47 -6.327 7.764 11.915 1.00 0.00 C ATOM 719 OG1 THR A 47 -5.476 8.656 11.183 1.00 0.00 O ATOM 720 CG2 THR A 47 -7.505 7.356 11.044 1.00 0.00 C ATOM 0 H THR A 47 -7.547 10.139 12.080 1.00 0.00 H new ATOM 0 HA THR A 47 -7.378 7.783 13.803 1.00 0.00 H new ATOM 0 HB THR A 47 -5.775 6.869 12.201 1.00 0.00 H new ATOM 0 HG1 THR A 47 -6.025 9.259 10.639 1.00 0.00 H new ATOM 0 HG21 THR A 47 -7.139 6.846 10.153 1.00 0.00 H new ATOM 0 HG22 THR A 47 -8.157 6.686 11.604 1.00 0.00 H new ATOM 0 HG23 THR A 47 -8.064 8.244 10.749 1.00 0.00 H new ATOM 728 N LEU A 48 -4.744 8.123 14.288 1.00 0.00 N ATOM 729 CA LEU A 48 -3.497 8.454 14.958 1.00 0.00 C ATOM 730 C LEU A 48 -2.471 9.090 14.028 1.00 0.00 C ATOM 731 O LEU A 48 -1.465 9.621 14.500 1.00 0.00 O ATOM 732 CB LEU A 48 -2.888 7.185 15.561 1.00 0.00 C ATOM 733 CG LEU A 48 -3.683 6.534 16.696 1.00 0.00 C ATOM 734 CD1 LEU A 48 -3.011 5.224 17.081 1.00 0.00 C ATOM 735 CD2 LEU A 48 -3.745 7.492 17.876 1.00 0.00 C ATOM 0 H LEU A 48 -4.901 7.120 14.185 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.740 9.183 15.731 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -2.763 6.452 14.764 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.892 7.425 15.933 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.703 6.319 16.377 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.570 4.752 17.889 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.990 4.559 16.218 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.991 5.422 17.412 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.310 7.034 18.688 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.734 7.714 18.218 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.235 8.416 17.569 1.00 0.00 H new ATOM 747 N TYR A 49 -2.705 9.036 12.715 1.00 0.00 N ATOM 748 CA TYR A 49 -1.754 9.591 11.780 1.00 0.00 C ATOM 749 C TYR A 49 -2.364 10.800 11.080 1.00 0.00 C ATOM 750 O TYR A 49 -1.806 11.250 10.080 1.00 0.00 O ATOM 751 CB TYR A 49 -1.349 8.481 10.809 1.00 0.00 C ATOM 752 CG TYR A 49 -0.772 7.324 11.599 1.00 0.00 C ATOM 753 CD1 TYR A 49 0.554 7.289 12.009 1.00 0.00 C ATOM 754 CD2 TYR A 49 -1.618 6.281 11.932 1.00 0.00 C ATOM 755 CE1 TYR A 49 1.017 6.215 12.754 1.00 0.00 C ATOM 756 CE2 TYR A 49 -1.156 5.215 12.673 1.00 0.00 C ATOM 757 CZ TYR A 49 0.163 5.183 13.087 1.00 0.00 C ATOM 758 OH TYR A 49 0.584 4.107 13.833 1.00 0.00 O ATOM 0 H TYR A 49 -3.534 8.619 12.291 1.00 0.00 H new ATOM 0 HA TYR A 49 -0.857 9.949 12.285 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -2.213 8.150 10.233 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -0.614 8.854 10.096 1.00 0.00 H new ATOM 0 HD1 TYR A 49 1.223 8.096 11.748 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -2.648 6.303 11.609 1.00 0.00 H new ATOM 0 HE1 TYR A 49 2.048 6.186 13.074 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -1.823 4.406 12.930 1.00 0.00 H new ATOM 0 HH TYR A 49 1.529 4.220 14.065 1.00 0.00 H new ATOM 768 N GLU A 50 -3.481 11.319 11.612 1.00 0.00 N ATOM 769 CA GLU A 50 -4.183 12.447 11.011 1.00 0.00 C ATOM 770 C GLU A 50 -3.339 13.658 10.667 1.00 0.00 C ATOM 771 O GLU A 50 -2.673 14.246 11.521 1.00 0.00 O ATOM 772 CB GLU A 50 -5.297 12.919 11.943 1.00 0.00 C ATOM 773 CG GLU A 50 -6.046 14.133 11.414 1.00 0.00 C ATOM 774 CD GLU A 50 -7.178 14.576 12.300 1.00 0.00 C ATOM 775 OE1 GLU A 50 -7.591 13.808 13.136 1.00 0.00 O ATOM 776 OE2 GLU A 50 -7.636 15.682 12.140 1.00 0.00 O ATOM 0 H GLU A 50 -3.915 10.967 12.465 1.00 0.00 H new ATOM 0 HA GLU A 50 -4.550 12.049 10.065 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -6.003 12.103 12.097 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.870 13.159 12.917 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.344 14.959 11.295 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -6.439 13.904 10.424 1.00 0.00 H new ATOM 783 N GLY A 51 -3.409 14.037 9.392 1.00 0.00 N ATOM 784 CA GLY A 51 -2.696 15.192 8.869 1.00 0.00 C ATOM 785 C GLY A 51 -1.289 14.883 8.367 1.00 0.00 C ATOM 786 O GLY A 51 -0.658 15.748 7.758 1.00 0.00 O ATOM 0 H GLY A 51 -3.966 13.546 8.692 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -3.275 15.623 8.052 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.633 15.950 9.650 1.00 0.00 H new ATOM 790 N GLU A 52 -0.785 13.672 8.609 1.00 0.00 N ATOM 791 CA GLU A 52 0.561 13.359 8.157 1.00 0.00 C ATOM 792 C GLU A 52 0.590 13.127 6.666 1.00 0.00 C ATOM 793 O GLU A 52 -0.288 12.479 6.105 1.00 0.00 O ATOM 794 CB GLU A 52 1.098 12.117 8.872 1.00 0.00 C ATOM 795 CG GLU A 52 1.310 12.293 10.367 1.00 0.00 C ATOM 796 CD GLU A 52 2.448 13.225 10.670 1.00 0.00 C ATOM 797 OE1 GLU A 52 3.372 13.274 9.892 1.00 0.00 O ATOM 798 OE2 GLU A 52 2.398 13.889 11.679 1.00 0.00 O ATOM 0 H GLU A 52 -1.271 12.920 9.097 1.00 0.00 H new ATOM 0 HA GLU A 52 1.194 14.213 8.396 1.00 0.00 H new ATOM 0 HB2 GLU A 52 0.404 11.292 8.711 1.00 0.00 H new ATOM 0 HB3 GLU A 52 2.045 11.831 8.415 1.00 0.00 H new ATOM 0 HG2 GLU A 52 0.396 12.678 10.819 1.00 0.00 H new ATOM 0 HG3 GLU A 52 1.506 11.322 10.822 1.00 0.00 H new ATOM 805 N LYS A 53 1.598 13.660 5.999 1.00 0.00 N ATOM 806 CA LYS A 53 1.657 13.424 4.568 1.00 0.00 C ATOM 807 C LYS A 53 2.854 12.562 4.235 1.00 0.00 C ATOM 808 O LYS A 53 3.931 12.698 4.820 1.00 0.00 O ATOM 809 CB LYS A 53 1.670 14.743 3.805 1.00 0.00 C ATOM 810 CG LYS A 53 0.368 15.520 3.966 1.00 0.00 C ATOM 811 CD LYS A 53 0.363 16.803 3.152 1.00 0.00 C ATOM 812 CE LYS A 53 -0.949 17.554 3.324 1.00 0.00 C ATOM 813 NZ LYS A 53 -0.972 18.822 2.543 1.00 0.00 N ATOM 0 H LYS A 53 2.347 14.227 6.396 1.00 0.00 H new ATOM 0 HA LYS A 53 0.763 12.885 4.256 1.00 0.00 H new ATOM 0 HB2 LYS A 53 2.501 15.355 4.156 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.844 14.546 2.747 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -0.468 14.893 3.658 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.217 15.759 5.019 1.00 0.00 H new ATOM 0 HD2 LYS A 53 1.193 17.438 3.463 1.00 0.00 H new ATOM 0 HD3 LYS A 53 0.517 16.570 2.098 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -1.775 16.918 3.007 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -1.104 17.776 4.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -1.883 19.303 2.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -0.199 19.441 2.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -0.850 18.609 1.532 1.00 0.00 H new ATOM 827 N PHE A 54 2.648 11.663 3.285 1.00 0.00 N ATOM 828 CA PHE A 54 3.703 10.747 2.898 1.00 0.00 C ATOM 829 C PHE A 54 3.583 10.206 1.489 1.00 0.00 C ATOM 830 O PHE A 54 2.530 10.252 0.853 1.00 0.00 O ATOM 831 CB PHE A 54 3.774 9.600 3.899 1.00 0.00 C ATOM 832 CG PHE A 54 2.505 8.806 4.000 1.00 0.00 C ATOM 833 CD1 PHE A 54 2.282 7.701 3.196 1.00 0.00 C ATOM 834 CD2 PHE A 54 1.538 9.165 4.928 1.00 0.00 C ATOM 835 CE1 PHE A 54 1.120 6.966 3.327 1.00 0.00 C ATOM 836 CE2 PHE A 54 0.375 8.437 5.058 1.00 0.00 C ATOM 837 CZ PHE A 54 0.171 7.332 4.258 1.00 0.00 C ATOM 0 H PHE A 54 1.772 11.550 2.775 1.00 0.00 H new ATOM 0 HA PHE A 54 4.626 11.327 2.906 1.00 0.00 H new ATOM 0 HB2 PHE A 54 4.588 8.933 3.616 1.00 0.00 H new ATOM 0 HB3 PHE A 54 4.019 10.002 4.882 1.00 0.00 H new ATOM 0 HD1 PHE A 54 3.020 7.412 2.463 1.00 0.00 H new ATOM 0 HD2 PHE A 54 1.699 10.028 5.558 1.00 0.00 H new ATOM 0 HE1 PHE A 54 0.954 6.103 2.699 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -0.372 8.730 5.781 1.00 0.00 H new ATOM 0 HZ PHE A 54 -0.734 6.752 4.361 1.00 0.00 H new ATOM 847 N GLN A 55 4.701 9.694 1.002 1.00 0.00 N ATOM 848 CA GLN A 55 4.751 9.142 -0.336 1.00 0.00 C ATOM 849 C GLN A 55 5.042 7.651 -0.279 1.00 0.00 C ATOM 850 O GLN A 55 5.804 7.224 0.584 1.00 0.00 O ATOM 851 CB GLN A 55 5.787 9.903 -1.154 1.00 0.00 C ATOM 852 CG GLN A 55 5.871 9.508 -2.610 1.00 0.00 C ATOM 853 CD GLN A 55 6.766 10.480 -3.348 1.00 0.00 C ATOM 854 OE1 GLN A 55 7.988 10.330 -3.446 1.00 0.00 O ATOM 855 NE2 GLN A 55 6.127 11.523 -3.868 1.00 0.00 N ATOM 0 H GLN A 55 5.582 9.650 1.514 1.00 0.00 H new ATOM 0 HA GLN A 55 3.784 9.258 -0.826 1.00 0.00 H new ATOM 0 HB2 GLN A 55 5.563 10.968 -1.095 1.00 0.00 H new ATOM 0 HB3 GLN A 55 6.766 9.758 -0.697 1.00 0.00 H new ATOM 0 HG2 GLN A 55 6.264 8.495 -2.701 1.00 0.00 H new ATOM 0 HG3 GLN A 55 4.876 9.505 -3.055 1.00 0.00 H new ATOM 0 HE21 GLN A 55 5.116 11.606 -3.763 1.00 0.00 H new ATOM 0 HE22 GLN A 55 6.648 12.240 -4.373 1.00 0.00 H new ATOM 864 N LEU A 56 4.382 6.859 -1.120 1.00 0.00 N ATOM 865 CA LEU A 56 4.644 5.428 -1.148 1.00 0.00 C ATOM 866 C LEU A 56 5.233 5.004 -2.486 1.00 0.00 C ATOM 867 O LEU A 56 4.982 5.606 -3.534 1.00 0.00 O ATOM 868 CB LEU A 56 3.374 4.610 -0.932 1.00 0.00 C ATOM 869 CG LEU A 56 2.540 4.907 0.310 1.00 0.00 C ATOM 870 CD1 LEU A 56 1.268 4.093 0.235 1.00 0.00 C ATOM 871 CD2 LEU A 56 3.346 4.542 1.533 1.00 0.00 C ATOM 0 H LEU A 56 3.673 7.179 -1.780 1.00 0.00 H new ATOM 0 HA LEU A 56 5.349 5.238 -0.339 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.735 4.746 -1.805 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.654 3.557 -0.903 1.00 0.00 H new ATOM 0 HG LEU A 56 2.280 5.964 0.368 1.00 0.00 H new ATOM 0 HD11 LEU A 56 0.657 4.291 1.115 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.713 4.368 -0.662 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.516 3.032 0.197 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.761 4.749 2.429 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.597 3.482 1.500 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.263 5.131 1.554 1.00 0.00 H new ATOM 883 N LEU A 57 6.000 3.927 -2.426 1.00 0.00 N ATOM 884 CA LEU A 57 6.642 3.303 -3.568 1.00 0.00 C ATOM 885 C LEU A 57 6.107 1.919 -3.874 1.00 0.00 C ATOM 886 O LEU A 57 6.094 1.015 -3.032 1.00 0.00 O ATOM 887 CB LEU A 57 8.147 3.185 -3.347 1.00 0.00 C ATOM 888 CG LEU A 57 8.909 2.419 -4.437 1.00 0.00 C ATOM 889 CD1 LEU A 57 8.809 3.156 -5.767 1.00 0.00 C ATOM 890 CD2 LEU A 57 10.357 2.282 -3.996 1.00 0.00 C ATOM 0 H LEU A 57 6.199 3.447 -1.548 1.00 0.00 H new ATOM 0 HA LEU A 57 6.421 3.953 -4.414 1.00 0.00 H new ATOM 0 HB2 LEU A 57 8.566 4.188 -3.269 1.00 0.00 H new ATOM 0 HB3 LEU A 57 8.320 2.692 -2.390 1.00 0.00 H new ATOM 0 HG LEU A 57 8.476 1.429 -4.579 1.00 0.00 H new ATOM 0 HD11 LEU A 57 9.354 2.602 -6.532 1.00 0.00 H new ATOM 0 HD12 LEU A 57 7.762 3.242 -6.058 1.00 0.00 H new ATOM 0 HD13 LEU A 57 9.240 4.152 -5.664 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.919 1.740 -4.756 1.00 0.00 H new ATOM 0 HD22 LEU A 57 10.791 3.272 -3.861 1.00 0.00 H new ATOM 0 HD23 LEU A 57 10.400 1.735 -3.054 1.00 0.00 H new ATOM 902 N PHE A 58 5.610 1.787 -5.095 1.00 0.00 N ATOM 903 CA PHE A 58 5.146 0.509 -5.597 1.00 0.00 C ATOM 904 C PHE A 58 5.990 -0.003 -6.744 1.00 0.00 C ATOM 905 O PHE A 58 6.228 0.706 -7.722 1.00 0.00 O ATOM 906 CB PHE A 58 3.688 0.603 -5.983 1.00 0.00 C ATOM 907 CG PHE A 58 2.767 0.689 -4.816 1.00 0.00 C ATOM 908 CD1 PHE A 58 2.590 1.837 -4.062 1.00 0.00 C ATOM 909 CD2 PHE A 58 2.042 -0.442 -4.503 1.00 0.00 C ATOM 910 CE1 PHE A 58 1.712 1.833 -2.994 1.00 0.00 C ATOM 911 CE2 PHE A 58 1.160 -0.437 -3.452 1.00 0.00 C ATOM 912 CZ PHE A 58 0.996 0.697 -2.690 1.00 0.00 C ATOM 0 H PHE A 58 5.519 2.557 -5.758 1.00 0.00 H new ATOM 0 HA PHE A 58 5.251 -0.220 -4.794 1.00 0.00 H new ATOM 0 HB2 PHE A 58 3.544 1.480 -6.615 1.00 0.00 H new ATOM 0 HB3 PHE A 58 3.422 -0.268 -6.582 1.00 0.00 H new ATOM 0 HD1 PHE A 58 3.137 2.735 -4.308 1.00 0.00 H new ATOM 0 HD2 PHE A 58 2.170 -1.339 -5.090 1.00 0.00 H new ATOM 0 HE1 PHE A 58 1.587 2.724 -2.396 1.00 0.00 H new ATOM 0 HE2 PHE A 58 0.592 -1.326 -3.222 1.00 0.00 H new ATOM 0 HZ PHE A 58 0.309 0.696 -1.857 1.00 0.00 H new ATOM 922 N LYS A 59 6.430 -1.252 -6.620 1.00 0.00 N ATOM 923 CA LYS A 59 7.226 -1.875 -7.668 1.00 0.00 C ATOM 924 C LYS A 59 6.504 -3.069 -8.264 1.00 0.00 C ATOM 925 O LYS A 59 6.431 -4.130 -7.640 1.00 0.00 O ATOM 926 CB LYS A 59 8.576 -2.353 -7.151 1.00 0.00 C ATOM 927 CG LYS A 59 9.523 -1.284 -6.624 1.00 0.00 C ATOM 928 CD LYS A 59 10.837 -1.929 -6.207 1.00 0.00 C ATOM 929 CE LYS A 59 11.837 -0.917 -5.673 1.00 0.00 C ATOM 930 NZ LYS A 59 13.127 -1.562 -5.293 1.00 0.00 N ATOM 0 H LYS A 59 6.250 -1.847 -5.811 1.00 0.00 H new ATOM 0 HA LYS A 59 7.381 -1.108 -8.427 1.00 0.00 H new ATOM 0 HB2 LYS A 59 8.399 -3.074 -6.353 1.00 0.00 H new ATOM 0 HB3 LYS A 59 9.080 -2.887 -7.957 1.00 0.00 H new ATOM 0 HG2 LYS A 59 9.703 -0.532 -7.392 1.00 0.00 H new ATOM 0 HG3 LYS A 59 9.072 -0.771 -5.775 1.00 0.00 H new ATOM 0 HD2 LYS A 59 10.643 -2.681 -5.443 1.00 0.00 H new ATOM 0 HD3 LYS A 59 11.271 -2.448 -7.062 1.00 0.00 H new ATOM 0 HE2 LYS A 59 12.021 -0.154 -6.429 1.00 0.00 H new ATOM 0 HE3 LYS A 59 11.414 -0.411 -4.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 13.783 -0.840 -4.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 12.955 -2.273 -4.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 13.543 -2.024 -6.127 1.00 0.00 H new ATOM 944 N PHE A 60 5.959 -2.909 -9.463 1.00 0.00 N ATOM 945 CA PHE A 60 5.277 -4.039 -10.078 1.00 0.00 C ATOM 946 C PHE A 60 6.203 -4.848 -10.972 1.00 0.00 C ATOM 947 O PHE A 60 7.017 -4.302 -11.716 1.00 0.00 O ATOM 948 CB PHE A 60 4.040 -3.562 -10.819 1.00 0.00 C ATOM 949 CG PHE A 60 3.001 -3.088 -9.852 1.00 0.00 C ATOM 950 CD1 PHE A 60 2.962 -1.779 -9.432 1.00 0.00 C ATOM 951 CD2 PHE A 60 2.056 -3.949 -9.347 1.00 0.00 C ATOM 952 CE1 PHE A 60 1.995 -1.352 -8.537 1.00 0.00 C ATOM 953 CE2 PHE A 60 1.092 -3.532 -8.453 1.00 0.00 C ATOM 954 CZ PHE A 60 1.059 -2.225 -8.044 1.00 0.00 C ATOM 0 H PHE A 60 5.973 -2.048 -10.009 1.00 0.00 H new ATOM 0 HA PHE A 60 4.958 -4.716 -9.285 1.00 0.00 H new ATOM 0 HB2 PHE A 60 4.306 -2.754 -11.501 1.00 0.00 H new ATOM 0 HB3 PHE A 60 3.637 -4.373 -11.426 1.00 0.00 H new ATOM 0 HD1 PHE A 60 3.693 -1.077 -9.804 1.00 0.00 H new ATOM 0 HD2 PHE A 60 2.069 -4.983 -9.660 1.00 0.00 H new ATOM 0 HE1 PHE A 60 1.978 -0.319 -8.223 1.00 0.00 H new ATOM 0 HE2 PHE A 60 0.364 -4.235 -8.076 1.00 0.00 H new ATOM 0 HZ PHE A 60 0.308 -1.888 -7.345 1.00 0.00 H new ATOM 964 N SER A 61 6.071 -6.166 -10.868 1.00 0.00 N ATOM 965 CA SER A 61 6.874 -7.111 -11.632 1.00 0.00 C ATOM 966 C SER A 61 6.285 -7.401 -12.997 1.00 0.00 C ATOM 967 O SER A 61 5.146 -7.034 -13.277 1.00 0.00 O ATOM 968 CB SER A 61 7.011 -8.411 -10.862 1.00 0.00 C ATOM 969 OG SER A 61 5.788 -9.087 -10.749 1.00 0.00 O ATOM 0 H SER A 61 5.397 -6.611 -10.245 1.00 0.00 H new ATOM 0 HA SER A 61 7.851 -6.652 -11.782 1.00 0.00 H new ATOM 0 HB2 SER A 61 7.735 -9.054 -11.362 1.00 0.00 H new ATOM 0 HB3 SER A 61 7.403 -8.203 -9.867 1.00 0.00 H new ATOM 0 HG SER A 61 5.710 -9.474 -9.852 1.00 0.00 H new ATOM 975 N SER A 62 7.071 -8.057 -13.847 1.00 0.00 N ATOM 976 CA SER A 62 6.593 -8.456 -15.165 1.00 0.00 C ATOM 977 C SER A 62 5.626 -9.625 -15.046 1.00 0.00 C ATOM 978 O SER A 62 4.779 -9.831 -15.916 1.00 0.00 O ATOM 979 CB SER A 62 7.754 -8.840 -16.058 1.00 0.00 C ATOM 980 OG SER A 62 8.379 -10.005 -15.594 1.00 0.00 O ATOM 0 H SER A 62 8.036 -8.322 -13.647 1.00 0.00 H new ATOM 0 HA SER A 62 6.072 -7.608 -15.610 1.00 0.00 H new ATOM 0 HB2 SER A 62 7.399 -8.995 -17.077 1.00 0.00 H new ATOM 0 HB3 SER A 62 8.476 -8.024 -16.093 1.00 0.00 H new ATOM 0 HG SER A 62 9.125 -10.235 -16.187 1.00 0.00 H new ATOM 986 N ARG A 63 5.775 -10.398 -13.972 1.00 0.00 N ATOM 987 CA ARG A 63 4.882 -11.505 -13.692 1.00 0.00 C ATOM 988 C ARG A 63 3.513 -11.014 -13.240 1.00 0.00 C ATOM 989 O ARG A 63 2.520 -11.643 -13.597 1.00 0.00 O ATOM 990 CB ARG A 63 5.509 -12.423 -12.657 1.00 0.00 C ATOM 991 CG ARG A 63 6.678 -13.225 -13.214 1.00 0.00 C ATOM 992 CD ARG A 63 7.124 -14.317 -12.309 1.00 0.00 C ATOM 993 NE ARG A 63 7.730 -13.811 -11.090 1.00 0.00 N ATOM 994 CZ ARG A 63 9.030 -13.506 -10.929 1.00 0.00 C ATOM 995 NH1 ARG A 63 9.896 -13.654 -11.908 1.00 0.00 N ATOM 996 NH2 ARG A 63 9.402 -13.054 -9.747 1.00 0.00 N ATOM 0 H ARG A 63 6.514 -10.271 -13.280 1.00 0.00 H new ATOM 0 HA ARG A 63 4.730 -12.069 -14.612 1.00 0.00 H new ATOM 0 HB2 ARG A 63 5.852 -11.828 -11.810 1.00 0.00 H new ATOM 0 HB3 ARG A 63 4.751 -13.109 -12.279 1.00 0.00 H new ATOM 0 HG2 ARG A 63 6.392 -13.653 -14.175 1.00 0.00 H new ATOM 0 HG3 ARG A 63 7.515 -12.552 -13.401 1.00 0.00 H new ATOM 0 HD2 ARG A 63 6.271 -14.945 -12.054 1.00 0.00 H new ATOM 0 HD3 ARG A 63 7.841 -14.950 -12.833 1.00 0.00 H new ATOM 0 HE ARG A 63 7.117 -13.675 -10.286 1.00 0.00 H new ATOM 0 HH11 ARG A 63 9.587 -14.007 -12.814 1.00 0.00 H new ATOM 0 HH12 ARG A 63 10.877 -13.416 -11.762 1.00 0.00 H new ATOM 0 HH21 ARG A 63 8.714 -12.949 -9.002 1.00 0.00 H new ATOM 0 HH22 ARG A 63 10.378 -12.810 -9.578 1.00 0.00 H new ATOM 1010 N TYR A 64 3.466 -9.969 -12.403 1.00 0.00 N ATOM 1011 CA TYR A 64 2.237 -9.277 -11.984 1.00 0.00 C ATOM 1012 C TYR A 64 1.141 -9.344 -13.057 1.00 0.00 C ATOM 1013 O TYR A 64 1.375 -8.921 -14.190 1.00 0.00 O ATOM 1014 CB TYR A 64 2.512 -7.818 -11.635 1.00 0.00 C ATOM 1015 CG TYR A 64 1.281 -7.139 -11.086 1.00 0.00 C ATOM 1016 CD1 TYR A 64 0.897 -7.441 -9.787 1.00 0.00 C ATOM 1017 CD2 TYR A 64 0.540 -6.235 -11.837 1.00 0.00 C ATOM 1018 CE1 TYR A 64 -0.222 -6.855 -9.238 1.00 0.00 C ATOM 1019 CE2 TYR A 64 -0.578 -5.643 -11.280 1.00 0.00 C ATOM 1020 CZ TYR A 64 -0.961 -5.948 -9.989 1.00 0.00 C ATOM 1021 OH TYR A 64 -2.067 -5.364 -9.413 1.00 0.00 O ATOM 0 H TYR A 64 4.306 -9.569 -11.986 1.00 0.00 H new ATOM 0 HA TYR A 64 1.882 -9.798 -11.095 1.00 0.00 H new ATOM 0 HB2 TYR A 64 3.316 -7.764 -10.901 1.00 0.00 H new ATOM 0 HB3 TYR A 64 2.855 -7.289 -12.524 1.00 0.00 H new ATOM 0 HD1 TYR A 64 1.479 -8.139 -9.204 1.00 0.00 H new ATOM 0 HD2 TYR A 64 0.835 -5.997 -12.848 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -0.524 -7.099 -8.230 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -1.156 -4.937 -11.858 1.00 0.00 H new ATOM 0 HH TYR A 64 -2.422 -4.675 -10.012 1.00 0.00 H new ATOM 1031 N PRO A 65 -0.074 -9.796 -12.752 1.00 0.00 N ATOM 1032 CA PRO A 65 -0.660 -10.226 -11.501 1.00 0.00 C ATOM 1033 C PRO A 65 -0.463 -11.666 -11.106 1.00 0.00 C ATOM 1034 O PRO A 65 -1.311 -12.231 -10.421 1.00 0.00 O ATOM 1035 CB PRO A 65 -2.128 -9.928 -11.785 1.00 0.00 C ATOM 1036 CG PRO A 65 -2.281 -10.219 -13.249 1.00 0.00 C ATOM 1037 CD PRO A 65 -0.993 -9.744 -13.890 1.00 0.00 C ATOM 0 HA PRO A 65 -0.199 -9.726 -10.649 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -2.786 -10.554 -11.183 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -2.376 -8.892 -11.556 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -2.438 -11.283 -13.424 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -3.143 -9.697 -13.665 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -0.675 -10.393 -14.706 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -1.084 -8.738 -14.300 1.00 0.00 H new ATOM 1045 N PHE A 66 0.617 -12.286 -11.555 1.00 0.00 N ATOM 1046 CA PHE A 66 0.901 -13.651 -11.168 1.00 0.00 C ATOM 1047 C PHE A 66 2.117 -13.703 -10.238 1.00 0.00 C ATOM 1048 O PHE A 66 2.841 -14.699 -10.201 1.00 0.00 O ATOM 1049 CB PHE A 66 1.082 -14.450 -12.444 1.00 0.00 C ATOM 1050 CG PHE A 66 -0.176 -14.312 -13.248 1.00 0.00 C ATOM 1051 CD1 PHE A 66 -1.354 -14.919 -12.841 1.00 0.00 C ATOM 1052 CD2 PHE A 66 -0.185 -13.541 -14.400 1.00 0.00 C ATOM 1053 CE1 PHE A 66 -2.514 -14.761 -13.572 1.00 0.00 C ATOM 1054 CE2 PHE A 66 -1.344 -13.384 -15.134 1.00 0.00 C ATOM 1055 CZ PHE A 66 -2.508 -13.995 -14.720 1.00 0.00 C ATOM 0 H PHE A 66 1.304 -11.867 -12.182 1.00 0.00 H new ATOM 0 HA PHE A 66 0.083 -14.088 -10.595 1.00 0.00 H new ATOM 0 HB2 PHE A 66 1.939 -14.082 -13.008 1.00 0.00 H new ATOM 0 HB3 PHE A 66 1.277 -15.498 -12.215 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -1.364 -15.521 -11.944 1.00 0.00 H new ATOM 0 HD2 PHE A 66 0.724 -13.058 -14.727 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -3.427 -15.237 -13.245 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -1.338 -12.783 -16.031 1.00 0.00 H new ATOM 0 HZ PHE A 66 -3.415 -13.874 -15.294 1.00 0.00 H new ATOM 1065 N ASP A 67 2.309 -12.614 -9.488 1.00 0.00 N ATOM 1066 CA ASP A 67 3.344 -12.439 -8.476 1.00 0.00 C ATOM 1067 C ASP A 67 3.041 -11.132 -7.737 1.00 0.00 C ATOM 1068 O ASP A 67 2.391 -10.241 -8.284 1.00 0.00 O ATOM 1069 CB ASP A 67 4.750 -12.455 -9.080 1.00 0.00 C ATOM 1070 CG ASP A 67 5.837 -12.782 -8.055 1.00 0.00 C ATOM 1071 OD1 ASP A 67 5.554 -12.795 -6.877 1.00 0.00 O ATOM 1072 OD2 ASP A 67 6.942 -13.045 -8.472 1.00 0.00 O ATOM 0 H ASP A 67 1.714 -11.791 -9.578 1.00 0.00 H new ATOM 0 HA ASP A 67 3.331 -13.274 -7.776 1.00 0.00 H new ATOM 0 HB2 ASP A 67 4.785 -13.189 -9.885 1.00 0.00 H new ATOM 0 HB3 ASP A 67 4.959 -11.482 -9.526 1.00 0.00 H new ATOM 1077 N SER A 68 3.524 -11.031 -6.504 1.00 0.00 N ATOM 1078 CA SER A 68 3.259 -9.894 -5.625 1.00 0.00 C ATOM 1079 C SER A 68 4.266 -8.733 -5.760 1.00 0.00 C ATOM 1080 O SER A 68 5.473 -8.980 -5.792 1.00 0.00 O ATOM 1081 CB SER A 68 3.237 -10.396 -4.191 1.00 0.00 C ATOM 1082 OG SER A 68 3.100 -9.348 -3.271 1.00 0.00 O ATOM 0 H SER A 68 4.118 -11.744 -6.080 1.00 0.00 H new ATOM 0 HA SER A 68 2.298 -9.477 -5.924 1.00 0.00 H new ATOM 0 HB2 SER A 68 2.413 -11.099 -4.065 1.00 0.00 H new ATOM 0 HB3 SER A 68 4.157 -10.943 -3.984 1.00 0.00 H new ATOM 0 HG SER A 68 2.839 -9.710 -2.399 1.00 0.00 H new ATOM 1088 N PRO A 69 3.805 -7.472 -5.839 1.00 0.00 N ATOM 1089 CA PRO A 69 4.613 -6.266 -5.950 1.00 0.00 C ATOM 1090 C PRO A 69 5.294 -5.827 -4.655 1.00 0.00 C ATOM 1091 O PRO A 69 4.917 -6.271 -3.571 1.00 0.00 O ATOM 1092 CB PRO A 69 3.558 -5.250 -6.380 1.00 0.00 C ATOM 1093 CG PRO A 69 2.279 -5.748 -5.765 1.00 0.00 C ATOM 1094 CD PRO A 69 2.352 -7.257 -5.838 1.00 0.00 C ATOM 0 HA PRO A 69 5.457 -6.397 -6.627 1.00 0.00 H new ATOM 0 HB2 PRO A 69 3.804 -4.249 -6.026 1.00 0.00 H new ATOM 0 HB3 PRO A 69 3.480 -5.194 -7.466 1.00 0.00 H new ATOM 0 HG2 PRO A 69 2.183 -5.410 -4.733 1.00 0.00 H new ATOM 0 HG3 PRO A 69 1.411 -5.371 -6.306 1.00 0.00 H new ATOM 0 HD2 PRO A 69 1.866 -7.734 -4.987 1.00 0.00 H new ATOM 0 HD3 PRO A 69 1.877 -7.649 -6.737 1.00 0.00 H new ATOM 1102 N GLN A 70 6.288 -4.944 -4.763 1.00 0.00 N ATOM 1103 CA GLN A 70 6.941 -4.480 -3.542 1.00 0.00 C ATOM 1104 C GLN A 70 6.210 -3.235 -3.067 1.00 0.00 C ATOM 1105 O GLN A 70 5.885 -2.349 -3.858 1.00 0.00 O ATOM 1106 CB GLN A 70 8.420 -4.172 -3.757 1.00 0.00 C ATOM 1107 CG GLN A 70 9.211 -5.355 -4.282 1.00 0.00 C ATOM 1108 CD GLN A 70 9.228 -6.507 -3.298 1.00 0.00 C ATOM 1109 OE1 GLN A 70 9.645 -6.354 -2.146 1.00 0.00 O ATOM 1110 NE2 GLN A 70 8.769 -7.671 -3.744 1.00 0.00 N ATOM 0 H GLN A 70 6.643 -4.553 -5.636 1.00 0.00 H new ATOM 0 HA GLN A 70 6.895 -5.272 -2.794 1.00 0.00 H new ATOM 0 HB2 GLN A 70 8.513 -3.342 -4.458 1.00 0.00 H new ATOM 0 HB3 GLN A 70 8.856 -3.843 -2.814 1.00 0.00 H new ATOM 0 HG2 GLN A 70 8.779 -5.690 -5.225 1.00 0.00 H new ATOM 0 HG3 GLN A 70 10.234 -5.043 -4.493 1.00 0.00 H new ATOM 0 HE21 GLN A 70 8.434 -7.753 -4.704 1.00 0.00 H new ATOM 0 HE22 GLN A 70 8.752 -8.483 -3.127 1.00 0.00 H new ATOM 1119 N VAL A 71 5.958 -3.169 -1.760 1.00 0.00 N ATOM 1120 CA VAL A 71 5.212 -2.054 -1.180 1.00 0.00 C ATOM 1121 C VAL A 71 5.915 -1.408 0.024 1.00 0.00 C ATOM 1122 O VAL A 71 6.163 -2.082 1.032 1.00 0.00 O ATOM 1123 CB VAL A 71 3.821 -2.566 -0.755 1.00 0.00 C ATOM 1124 CG1 VAL A 71 3.023 -1.434 -0.150 1.00 0.00 C ATOM 1125 CG2 VAL A 71 3.096 -3.172 -1.949 1.00 0.00 C ATOM 0 H VAL A 71 6.259 -3.872 -1.085 1.00 0.00 H new ATOM 0 HA VAL A 71 5.136 -1.278 -1.942 1.00 0.00 H new ATOM 0 HB VAL A 71 3.937 -3.346 -0.002 1.00 0.00 H new ATOM 0 HG11 VAL A 71 2.041 -1.800 0.149 1.00 0.00 H new ATOM 0 HG12 VAL A 71 3.547 -1.046 0.724 1.00 0.00 H new ATOM 0 HG13 VAL A 71 2.905 -0.638 -0.886 1.00 0.00 H new ATOM 0 HG21 VAL A 71 2.115 -3.530 -1.636 1.00 0.00 H new ATOM 0 HG22 VAL A 71 2.976 -2.415 -2.724 1.00 0.00 H new ATOM 0 HG23 VAL A 71 3.677 -4.006 -2.343 1.00 0.00 H new ATOM 1135 N MET A 72 6.228 -0.113 -0.092 1.00 0.00 N ATOM 1136 CA MET A 72 6.904 0.591 0.997 1.00 0.00 C ATOM 1137 C MET A 72 6.728 2.113 1.019 1.00 0.00 C ATOM 1138 O MET A 72 6.269 2.710 0.052 1.00 0.00 O ATOM 1139 CB MET A 72 8.394 0.285 0.924 1.00 0.00 C ATOM 1140 CG MET A 72 9.067 0.809 -0.332 1.00 0.00 C ATOM 1141 SD MET A 72 10.826 0.432 -0.373 1.00 0.00 S ATOM 1142 CE MET A 72 11.391 1.559 0.898 1.00 0.00 C ATOM 0 H MET A 72 6.028 0.458 -0.913 1.00 0.00 H new ATOM 0 HA MET A 72 6.433 0.226 1.910 1.00 0.00 H new ATOM 0 HB2 MET A 72 8.887 0.716 1.796 1.00 0.00 H new ATOM 0 HB3 MET A 72 8.537 -0.794 0.978 1.00 0.00 H new ATOM 0 HG2 MET A 72 8.584 0.375 -1.208 1.00 0.00 H new ATOM 0 HG3 MET A 72 8.928 1.888 -0.393 1.00 0.00 H new ATOM 0 HE1 MET A 72 12.464 1.720 0.791 1.00 0.00 H new ATOM 0 HE2 MET A 72 10.869 2.511 0.798 1.00 0.00 H new ATOM 0 HE3 MET A 72 11.185 1.133 1.880 1.00 0.00 H new ATOM 1152 N PHE A 73 7.071 2.732 2.146 1.00 0.00 N ATOM 1153 CA PHE A 73 7.057 4.182 2.318 1.00 0.00 C ATOM 1154 C PHE A 73 8.356 4.804 1.820 1.00 0.00 C ATOM 1155 O PHE A 73 9.441 4.253 2.014 1.00 0.00 O ATOM 1156 CB PHE A 73 6.949 4.579 3.797 1.00 0.00 C ATOM 1157 CG PHE A 73 5.644 4.397 4.510 1.00 0.00 C ATOM 1158 CD1 PHE A 73 5.309 3.183 5.072 1.00 0.00 C ATOM 1159 CD2 PHE A 73 4.755 5.452 4.650 1.00 0.00 C ATOM 1160 CE1 PHE A 73 4.106 3.025 5.730 1.00 0.00 C ATOM 1161 CE2 PHE A 73 3.555 5.285 5.319 1.00 0.00 C ATOM 1162 CZ PHE A 73 3.223 4.065 5.855 1.00 0.00 C ATOM 0 H PHE A 73 7.372 2.230 2.981 1.00 0.00 H new ATOM 0 HA PHE A 73 6.195 4.537 1.753 1.00 0.00 H new ATOM 0 HB2 PHE A 73 7.703 4.014 4.344 1.00 0.00 H new ATOM 0 HB3 PHE A 73 7.221 5.632 3.875 1.00 0.00 H new ATOM 0 HD1 PHE A 73 5.993 2.350 4.997 1.00 0.00 H new ATOM 0 HD2 PHE A 73 5.002 6.416 4.232 1.00 0.00 H new ATOM 0 HE1 PHE A 73 3.856 2.064 6.154 1.00 0.00 H new ATOM 0 HE2 PHE A 73 2.876 6.119 5.420 1.00 0.00 H new ATOM 0 HZ PHE A 73 2.282 3.928 6.366 1.00 0.00 H new ATOM 1172 N THR A 74 8.220 5.958 1.178 1.00 0.00 N ATOM 1173 CA THR A 74 9.314 6.768 0.653 1.00 0.00 C ATOM 1174 C THR A 74 9.436 8.106 1.375 1.00 0.00 C ATOM 1175 O THR A 74 8.459 8.839 1.537 1.00 0.00 O ATOM 1176 CB THR A 74 9.134 7.026 -0.854 1.00 0.00 C ATOM 1177 OG1 THR A 74 9.153 5.775 -1.546 1.00 0.00 O ATOM 1178 CG2 THR A 74 10.223 7.936 -1.400 1.00 0.00 C ATOM 0 H THR A 74 7.305 6.373 1.001 1.00 0.00 H new ATOM 0 HA THR A 74 10.228 6.199 0.822 1.00 0.00 H new ATOM 0 HB THR A 74 8.178 7.527 -1.007 1.00 0.00 H new ATOM 0 HG1 THR A 74 9.526 5.903 -2.443 1.00 0.00 H new ATOM 0 HG21 THR A 74 10.063 8.096 -2.466 1.00 0.00 H new ATOM 0 HG22 THR A 74 10.191 8.894 -0.881 1.00 0.00 H new ATOM 0 HG23 THR A 74 11.197 7.472 -1.245 1.00 0.00 H new ATOM 1186 N GLY A 75 10.651 8.426 1.803 1.00 0.00 N ATOM 1187 CA GLY A 75 10.904 9.682 2.495 1.00 0.00 C ATOM 1188 C GLY A 75 11.248 9.456 3.959 1.00 0.00 C ATOM 1189 O GLY A 75 11.415 8.322 4.403 1.00 0.00 O ATOM 0 H GLY A 75 11.474 7.835 1.683 1.00 0.00 H new ATOM 0 HA2 GLY A 75 11.723 10.209 2.006 1.00 0.00 H new ATOM 0 HA3 GLY A 75 10.024 10.322 2.422 1.00 0.00 H new ATOM 1193 N GLU A 76 11.370 10.553 4.699 1.00 0.00 N ATOM 1194 CA GLU A 76 11.703 10.501 6.116 1.00 0.00 C ATOM 1195 C GLU A 76 10.497 10.283 7.021 1.00 0.00 C ATOM 1196 O GLU A 76 10.652 9.803 8.145 1.00 0.00 O ATOM 1197 CB GLU A 76 12.407 11.795 6.527 1.00 0.00 C ATOM 1198 CG GLU A 76 13.772 11.989 5.885 1.00 0.00 C ATOM 1199 CD GLU A 76 14.434 13.276 6.287 1.00 0.00 C ATOM 1200 OE1 GLU A 76 13.813 14.057 6.969 1.00 0.00 O ATOM 1201 OE2 GLU A 76 15.564 13.478 5.910 1.00 0.00 O ATOM 0 H GLU A 76 11.242 11.497 4.335 1.00 0.00 H new ATOM 0 HA GLU A 76 12.357 9.638 6.245 1.00 0.00 H new ATOM 0 HB2 GLU A 76 11.771 12.641 6.266 1.00 0.00 H new ATOM 0 HB3 GLU A 76 12.522 11.805 7.611 1.00 0.00 H new ATOM 0 HG2 GLU A 76 14.418 11.154 6.158 1.00 0.00 H new ATOM 0 HG3 GLU A 76 13.664 11.966 4.801 1.00 0.00 H new ATOM 1208 N ASN A 77 9.292 10.602 6.544 1.00 0.00 N ATOM 1209 CA ASN A 77 8.095 10.483 7.374 1.00 0.00 C ATOM 1210 C ASN A 77 7.576 9.049 7.444 1.00 0.00 C ATOM 1211 O ASN A 77 6.547 8.720 6.854 1.00 0.00 O ATOM 1212 CB ASN A 77 6.993 11.406 6.877 1.00 0.00 C ATOM 1213 CG ASN A 77 5.890 11.531 7.900 1.00 0.00 C ATOM 1214 OD1 ASN A 77 6.080 11.060 9.026 1.00 0.00 O ATOM 1215 ND2 ASN A 77 4.785 12.149 7.569 1.00 0.00 N ATOM 0 H ASN A 77 9.121 10.941 5.597 1.00 0.00 H new ATOM 0 HA ASN A 77 8.386 10.781 8.381 1.00 0.00 H new ATOM 0 HB2 ASN A 77 7.408 12.391 6.662 1.00 0.00 H new ATOM 0 HB3 ASN A 77 6.585 11.021 5.942 1.00 0.00 H new ATOM 0 HD21 ASN A 77 4.037 12.258 8.254 1.00 0.00 H new ATOM 0 HD22 ASN A 77 4.672 12.522 6.626 1.00 0.00 H new ATOM 1222 N ILE A 78 8.310 8.204 8.162 1.00 0.00 N ATOM 1223 CA ILE A 78 7.958 6.806 8.339 1.00 0.00 C ATOM 1224 C ILE A 78 7.198 6.688 9.662 1.00 0.00 C ATOM 1225 O ILE A 78 7.794 6.938 10.711 1.00 0.00 O ATOM 1226 CB ILE A 78 9.209 5.912 8.383 1.00 0.00 C ATOM 1227 CG1 ILE A 78 10.090 6.157 7.154 1.00 0.00 C ATOM 1228 CG2 ILE A 78 8.778 4.457 8.429 1.00 0.00 C ATOM 1229 CD1 ILE A 78 9.405 5.905 5.838 1.00 0.00 C ATOM 0 H ILE A 78 9.170 8.475 8.639 1.00 0.00 H new ATOM 0 HA ILE A 78 7.349 6.474 7.498 1.00 0.00 H new ATOM 0 HB ILE A 78 9.790 6.154 9.273 1.00 0.00 H new ATOM 0 HG12 ILE A 78 10.443 7.188 7.175 1.00 0.00 H new ATOM 0 HG13 ILE A 78 10.970 5.518 7.220 1.00 0.00 H new ATOM 0 HG21 ILE A 78 9.660 3.817 8.460 1.00 0.00 H new ATOM 0 HG22 ILE A 78 8.173 4.285 9.319 1.00 0.00 H new ATOM 0 HG23 ILE A 78 8.191 4.223 7.541 1.00 0.00 H new ATOM 0 HD11 ILE A 78 10.100 6.103 5.022 1.00 0.00 H new ATOM 0 HD12 ILE A 78 9.077 4.867 5.792 1.00 0.00 H new ATOM 0 HD13 ILE A 78 8.541 6.563 5.746 1.00 0.00 H new ATOM 1241 N PRO A 79 5.915 6.320 9.672 1.00 0.00 N ATOM 1242 CA PRO A 79 5.132 6.231 10.883 1.00 0.00 C ATOM 1243 C PRO A 79 5.463 5.045 11.772 1.00 0.00 C ATOM 1244 O PRO A 79 5.871 3.986 11.295 1.00 0.00 O ATOM 1245 CB PRO A 79 3.721 6.115 10.296 1.00 0.00 C ATOM 1246 CG PRO A 79 3.909 5.479 8.951 1.00 0.00 C ATOM 1247 CD PRO A 79 5.233 5.989 8.419 1.00 0.00 C ATOM 0 HA PRO A 79 5.302 7.072 11.555 1.00 0.00 H new ATOM 0 HB2 PRO A 79 3.078 5.508 10.933 1.00 0.00 H new ATOM 0 HB3 PRO A 79 3.249 7.094 10.207 1.00 0.00 H new ATOM 0 HG2 PRO A 79 3.916 4.392 9.033 1.00 0.00 H new ATOM 0 HG3 PRO A 79 3.093 5.743 8.279 1.00 0.00 H new ATOM 0 HD2 PRO A 79 5.767 5.233 7.843 1.00 0.00 H new ATOM 0 HD3 PRO A 79 5.113 6.857 7.771 1.00 0.00 H new ATOM 1255 N VAL A 80 5.280 5.233 13.074 1.00 0.00 N ATOM 1256 CA VAL A 80 5.486 4.152 14.026 1.00 0.00 C ATOM 1257 C VAL A 80 4.189 3.371 14.041 1.00 0.00 C ATOM 1258 O VAL A 80 3.143 3.932 14.365 1.00 0.00 O ATOM 1259 CB VAL A 80 5.841 4.665 15.431 1.00 0.00 C ATOM 1260 CG1 VAL A 80 5.971 3.488 16.387 1.00 0.00 C ATOM 1261 CG2 VAL A 80 7.143 5.449 15.367 1.00 0.00 C ATOM 0 H VAL A 80 4.991 6.118 13.491 1.00 0.00 H new ATOM 0 HA VAL A 80 6.333 3.533 13.729 1.00 0.00 H new ATOM 0 HB VAL A 80 5.052 5.322 15.795 1.00 0.00 H new ATOM 0 HG11 VAL A 80 6.223 3.854 17.382 1.00 0.00 H new ATOM 0 HG12 VAL A 80 5.026 2.946 16.428 1.00 0.00 H new ATOM 0 HG13 VAL A 80 6.758 2.820 16.036 1.00 0.00 H new ATOM 0 HG21 VAL A 80 7.397 5.814 16.362 1.00 0.00 H new ATOM 0 HG22 VAL A 80 7.940 4.801 15.004 1.00 0.00 H new ATOM 0 HG23 VAL A 80 7.026 6.295 14.689 1.00 0.00 H new ATOM 1271 N HIS A 81 4.275 2.094 13.701 1.00 0.00 N ATOM 1272 CA HIS A 81 3.112 1.231 13.579 1.00 0.00 C ATOM 1273 C HIS A 81 3.540 -0.235 13.582 1.00 0.00 C ATOM 1274 O HIS A 81 4.600 -0.538 13.041 1.00 0.00 O ATOM 1275 CB HIS A 81 2.388 1.545 12.267 1.00 0.00 C ATOM 1276 CG HIS A 81 1.067 0.878 12.064 1.00 0.00 C ATOM 1277 ND1 HIS A 81 0.945 -0.458 11.731 1.00 0.00 N ATOM 1278 CD2 HIS A 81 -0.192 1.365 12.131 1.00 0.00 C ATOM 1279 CE1 HIS A 81 -0.336 -0.757 11.614 1.00 0.00 C ATOM 1280 NE2 HIS A 81 -1.039 0.331 11.844 1.00 0.00 N ATOM 0 H HIS A 81 5.159 1.626 13.501 1.00 0.00 H new ATOM 0 HA HIS A 81 2.446 1.407 14.424 1.00 0.00 H new ATOM 0 HB2 HIS A 81 2.240 2.623 12.208 1.00 0.00 H new ATOM 0 HB3 HIS A 81 3.042 1.267 11.440 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -0.476 2.380 12.367 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -0.738 -1.729 11.371 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -2.057 0.393 11.813 1.00 0.00 H new ATOM 1288 N PRO A 82 2.781 -1.172 14.156 1.00 0.00 N ATOM 1289 CA PRO A 82 3.103 -2.590 14.137 1.00 0.00 C ATOM 1290 C PRO A 82 3.443 -3.188 12.768 1.00 0.00 C ATOM 1291 O PRO A 82 4.232 -4.130 12.691 1.00 0.00 O ATOM 1292 CB PRO A 82 1.804 -3.162 14.708 1.00 0.00 C ATOM 1293 CG PRO A 82 1.314 -2.088 15.639 1.00 0.00 C ATOM 1294 CD PRO A 82 1.657 -0.768 15.011 1.00 0.00 C ATOM 0 HA PRO A 82 4.018 -2.817 14.684 1.00 0.00 H new ATOM 0 HB2 PRO A 82 1.079 -3.370 13.921 1.00 0.00 H new ATOM 0 HB3 PRO A 82 1.978 -4.099 15.236 1.00 0.00 H new ATOM 0 HG2 PRO A 82 0.238 -2.173 15.793 1.00 0.00 H new ATOM 0 HG3 PRO A 82 1.785 -2.183 16.618 1.00 0.00 H new ATOM 0 HD2 PRO A 82 0.828 -0.352 14.439 1.00 0.00 H new ATOM 0 HD3 PRO A 82 1.944 -0.018 15.749 1.00 0.00 H new ATOM 1302 N HIS A 83 2.852 -2.663 11.697 1.00 0.00 N ATOM 1303 CA HIS A 83 3.128 -3.149 10.354 1.00 0.00 C ATOM 1304 C HIS A 83 3.979 -2.202 9.510 1.00 0.00 C ATOM 1305 O HIS A 83 4.069 -2.352 8.289 1.00 0.00 O ATOM 1306 CB HIS A 83 1.808 -3.448 9.661 1.00 0.00 C ATOM 1307 CG HIS A 83 1.102 -4.580 10.339 1.00 0.00 C ATOM 1308 ND1 HIS A 83 1.583 -5.870 10.290 1.00 0.00 N ATOM 1309 CD2 HIS A 83 -0.031 -4.632 11.079 1.00 0.00 C ATOM 1310 CE1 HIS A 83 0.778 -6.667 10.967 1.00 0.00 C ATOM 1311 NE2 HIS A 83 -0.209 -5.941 11.456 1.00 0.00 N ATOM 0 H HIS A 83 2.178 -1.899 11.737 1.00 0.00 H new ATOM 0 HA HIS A 83 3.727 -4.054 10.456 1.00 0.00 H new ATOM 0 HB2 HIS A 83 1.176 -2.560 9.671 1.00 0.00 H new ATOM 0 HB3 HIS A 83 1.988 -3.699 8.616 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -0.674 -3.800 11.326 1.00 0.00 H new ATOM 0 HE1 HIS A 83 0.905 -7.731 11.098 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -0.980 -6.295 12.023 1.00 0.00 H new ATOM 1319 N VAL A 84 4.612 -1.214 10.140 1.00 0.00 N ATOM 1320 CA VAL A 84 5.476 -0.309 9.394 1.00 0.00 C ATOM 1321 C VAL A 84 6.885 -0.363 9.961 1.00 0.00 C ATOM 1322 O VAL A 84 7.114 -0.116 11.145 1.00 0.00 O ATOM 1323 CB VAL A 84 4.968 1.143 9.420 1.00 0.00 C ATOM 1324 CG1 VAL A 84 5.944 2.021 8.649 1.00 0.00 C ATOM 1325 CG2 VAL A 84 3.574 1.200 8.813 1.00 0.00 C ATOM 0 H VAL A 84 4.545 -1.024 11.140 1.00 0.00 H new ATOM 0 HA VAL A 84 5.472 -0.639 8.355 1.00 0.00 H new ATOM 0 HB VAL A 84 4.907 1.509 10.445 1.00 0.00 H new ATOM 0 HG11 VAL A 84 5.593 3.053 8.661 1.00 0.00 H new ATOM 0 HG12 VAL A 84 6.928 1.967 9.115 1.00 0.00 H new ATOM 0 HG13 VAL A 84 6.011 1.673 7.618 1.00 0.00 H new ATOM 0 HG21 VAL A 84 3.211 2.228 8.830 1.00 0.00 H new ATOM 0 HG22 VAL A 84 3.611 0.845 7.783 1.00 0.00 H new ATOM 0 HG23 VAL A 84 2.900 0.568 9.390 1.00 0.00 H new ATOM 1335 N TYR A 85 7.840 -0.671 9.101 1.00 0.00 N ATOM 1336 CA TYR A 85 9.221 -0.754 9.532 1.00 0.00 C ATOM 1337 C TYR A 85 9.902 0.568 9.268 1.00 0.00 C ATOM 1338 O TYR A 85 9.475 1.310 8.386 1.00 0.00 O ATOM 1339 CB TYR A 85 9.914 -1.897 8.813 1.00 0.00 C ATOM 1340 CG TYR A 85 9.353 -3.236 9.238 1.00 0.00 C ATOM 1341 CD1 TYR A 85 8.260 -3.780 8.581 1.00 0.00 C ATOM 1342 CD2 TYR A 85 9.933 -3.922 10.293 1.00 0.00 C ATOM 1343 CE1 TYR A 85 7.748 -5.000 8.970 1.00 0.00 C ATOM 1344 CE2 TYR A 85 9.421 -5.143 10.686 1.00 0.00 C ATOM 1345 CZ TYR A 85 8.334 -5.683 10.028 1.00 0.00 C ATOM 1346 OH TYR A 85 7.829 -6.900 10.421 1.00 0.00 O ATOM 0 H TYR A 85 7.686 -0.865 8.112 1.00 0.00 H new ATOM 0 HA TYR A 85 9.273 -0.957 10.602 1.00 0.00 H new ATOM 0 HB2 TYR A 85 9.796 -1.776 7.736 1.00 0.00 H new ATOM 0 HB3 TYR A 85 10.983 -1.866 9.022 1.00 0.00 H new ATOM 0 HD1 TYR A 85 7.807 -3.245 7.760 1.00 0.00 H new ATOM 0 HD2 TYR A 85 10.785 -3.502 10.808 1.00 0.00 H new ATOM 0 HE1 TYR A 85 6.897 -5.422 8.455 1.00 0.00 H new ATOM 0 HE2 TYR A 85 9.872 -5.676 11.510 1.00 0.00 H new ATOM 0 HH TYR A 85 8.354 -7.244 11.174 1.00 0.00 H new ATOM 1356 N SER A 86 10.963 0.855 10.023 1.00 0.00 N ATOM 1357 CA SER A 86 11.693 2.120 9.935 1.00 0.00 C ATOM 1358 C SER A 86 12.376 2.355 8.592 1.00 0.00 C ATOM 1359 O SER A 86 12.737 3.487 8.268 1.00 0.00 O ATOM 1360 CB SER A 86 12.739 2.176 11.028 1.00 0.00 C ATOM 1361 OG SER A 86 13.742 1.222 10.809 1.00 0.00 O ATOM 0 H SER A 86 11.343 0.212 10.718 1.00 0.00 H new ATOM 0 HA SER A 86 10.946 2.906 10.050 1.00 0.00 H new ATOM 0 HB2 SER A 86 13.180 3.172 11.064 1.00 0.00 H new ATOM 0 HB3 SER A 86 12.269 2.000 11.996 1.00 0.00 H new ATOM 0 HG SER A 86 14.408 1.277 11.526 1.00 0.00 H new ATOM 1367 N ASN A 87 12.562 1.292 7.813 1.00 0.00 N ATOM 1368 CA ASN A 87 13.110 1.399 6.473 1.00 0.00 C ATOM 1369 C ASN A 87 12.010 1.589 5.424 1.00 0.00 C ATOM 1370 O ASN A 87 12.292 1.568 4.226 1.00 0.00 O ATOM 1371 CB ASN A 87 13.931 0.166 6.158 1.00 0.00 C ATOM 1372 CG ASN A 87 13.095 -1.084 6.097 1.00 0.00 C ATOM 1373 OD1 ASN A 87 11.863 -1.058 6.211 1.00 0.00 O ATOM 1374 ND2 ASN A 87 13.756 -2.198 5.917 1.00 0.00 N ATOM 0 H ASN A 87 12.337 0.338 8.096 1.00 0.00 H new ATOM 0 HA ASN A 87 13.749 2.281 6.438 1.00 0.00 H new ATOM 0 HB2 ASN A 87 14.439 0.306 5.204 1.00 0.00 H new ATOM 0 HB3 ASN A 87 14.704 0.045 6.916 1.00 0.00 H new ATOM 0 HD21 ASN A 87 13.256 -3.085 5.866 1.00 0.00 H new ATOM 0 HD22 ASN A 87 14.772 -2.179 5.827 1.00 0.00 H new ATOM 1381 N GLY A 88 10.764 1.768 5.867 1.00 0.00 N ATOM 1382 CA GLY A 88 9.626 1.988 4.994 1.00 0.00 C ATOM 1383 C GLY A 88 8.832 0.728 4.658 1.00 0.00 C ATOM 1384 O GLY A 88 7.776 0.825 4.040 1.00 0.00 O ATOM 0 H GLY A 88 10.521 1.763 6.858 1.00 0.00 H new ATOM 0 HA2 GLY A 88 8.957 2.709 5.465 1.00 0.00 H new ATOM 0 HA3 GLY A 88 9.978 2.439 4.066 1.00 0.00 H new ATOM 1388 N HIS A 89 9.293 -0.460 5.030 1.00 0.00 N ATOM 1389 CA HIS A 89 8.534 -1.649 4.641 1.00 0.00 C ATOM 1390 C HIS A 89 7.112 -1.716 5.196 1.00 0.00 C ATOM 1391 O HIS A 89 6.857 -1.491 6.381 1.00 0.00 O ATOM 1392 CB HIS A 89 9.305 -2.907 5.059 1.00 0.00 C ATOM 1393 CG HIS A 89 8.682 -4.204 4.645 1.00 0.00 C ATOM 1394 ND1 HIS A 89 7.606 -4.755 5.310 1.00 0.00 N ATOM 1395 CD2 HIS A 89 8.982 -5.060 3.642 1.00 0.00 C ATOM 1396 CE1 HIS A 89 7.273 -5.895 4.732 1.00 0.00 C ATOM 1397 NE2 HIS A 89 8.092 -6.103 3.718 1.00 0.00 N ATOM 0 H HIS A 89 10.141 -0.627 5.571 1.00 0.00 H new ATOM 0 HA HIS A 89 8.425 -1.587 3.558 1.00 0.00 H new ATOM 0 HB2 HIS A 89 10.309 -2.854 4.639 1.00 0.00 H new ATOM 0 HB3 HIS A 89 9.413 -2.904 6.144 1.00 0.00 H new ATOM 0 HD2 HIS A 89 9.774 -4.945 2.917 1.00 0.00 H new ATOM 0 HE1 HIS A 89 6.467 -6.546 5.037 1.00 0.00 H new ATOM 0 HE2 HIS A 89 8.068 -6.908 3.092 1.00 0.00 H new ATOM 1405 N ILE A 90 6.166 -2.013 4.300 1.00 0.00 N ATOM 1406 CA ILE A 90 4.765 -2.175 4.676 1.00 0.00 C ATOM 1407 C ILE A 90 4.328 -3.634 4.716 1.00 0.00 C ATOM 1408 O ILE A 90 4.376 -4.335 3.704 1.00 0.00 O ATOM 1409 CB ILE A 90 3.865 -1.399 3.707 1.00 0.00 C ATOM 1410 CG1 ILE A 90 4.217 0.078 3.808 1.00 0.00 C ATOM 1411 CG2 ILE A 90 2.402 -1.654 4.002 1.00 0.00 C ATOM 1412 CD1 ILE A 90 3.572 0.961 2.774 1.00 0.00 C ATOM 0 H ILE A 90 6.350 -2.146 3.306 1.00 0.00 H new ATOM 0 HA ILE A 90 4.664 -1.777 5.686 1.00 0.00 H new ATOM 0 HB ILE A 90 4.034 -1.738 2.685 1.00 0.00 H new ATOM 0 HG12 ILE A 90 3.933 0.436 4.797 1.00 0.00 H new ATOM 0 HG13 ILE A 90 5.299 0.184 3.729 1.00 0.00 H new ATOM 0 HG21 ILE A 90 1.786 -1.092 3.300 1.00 0.00 H new ATOM 0 HG22 ILE A 90 2.190 -2.718 3.899 1.00 0.00 H new ATOM 0 HG23 ILE A 90 2.175 -1.336 5.020 1.00 0.00 H new ATOM 0 HD11 ILE A 90 3.885 1.993 2.931 1.00 0.00 H new ATOM 0 HD12 ILE A 90 3.875 0.637 1.778 1.00 0.00 H new ATOM 0 HD13 ILE A 90 2.488 0.893 2.863 1.00 0.00 H new ATOM 1424 N CYS A 91 3.893 -4.082 5.893 1.00 0.00 N ATOM 1425 CA CYS A 91 3.467 -5.461 6.085 1.00 0.00 C ATOM 1426 C CYS A 91 1.958 -5.679 6.077 1.00 0.00 C ATOM 1427 O CYS A 91 1.283 -5.499 7.089 1.00 0.00 O ATOM 1428 CB CYS A 91 4.018 -5.980 7.411 1.00 0.00 C ATOM 1429 SG CYS A 91 3.596 -7.704 7.754 1.00 0.00 S ATOM 0 H CYS A 91 3.827 -3.503 6.730 1.00 0.00 H new ATOM 0 HA CYS A 91 3.861 -6.006 5.227 1.00 0.00 H new ATOM 0 HB2 CYS A 91 5.103 -5.875 7.408 1.00 0.00 H new ATOM 0 HB3 CYS A 91 3.639 -5.355 8.220 1.00 0.00 H new ATOM 0 HG CYS A 91 4.106 -8.057 8.896 1.00 0.00 H new ATOM 1435 N LEU A 92 1.427 -6.070 4.927 1.00 0.00 N ATOM 1436 CA LEU A 92 0.009 -6.387 4.815 1.00 0.00 C ATOM 1437 C LEU A 92 -0.106 -7.863 4.494 1.00 0.00 C ATOM 1438 O LEU A 92 0.722 -8.381 3.743 1.00 0.00 O ATOM 1439 CB LEU A 92 -0.650 -5.586 3.699 1.00 0.00 C ATOM 1440 CG LEU A 92 -0.579 -4.066 3.785 1.00 0.00 C ATOM 1441 CD1 LEU A 92 -1.128 -3.506 2.494 1.00 0.00 C ATOM 1442 CD2 LEU A 92 -1.392 -3.568 4.967 1.00 0.00 C ATOM 0 H LEU A 92 1.954 -6.175 4.060 1.00 0.00 H new ATOM 0 HA LEU A 92 -0.492 -6.138 5.750 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -0.198 -5.891 2.755 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -1.701 -5.871 3.656 1.00 0.00 H new ATOM 0 HG LEU A 92 0.451 -3.741 3.930 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -1.091 -2.417 2.525 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -0.529 -3.866 1.657 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -2.161 -3.830 2.367 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -1.333 -2.481 5.017 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -2.432 -3.870 4.846 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -0.995 -3.996 5.888 1.00 0.00 H new ATOM 1454 N SER A 93 -1.140 -8.542 4.996 1.00 0.00 N ATOM 1455 CA SER A 93 -1.235 -9.968 4.696 1.00 0.00 C ATOM 1456 C SER A 93 -1.485 -10.213 3.226 1.00 0.00 C ATOM 1457 O SER A 93 -1.020 -11.214 2.687 1.00 0.00 O ATOM 1458 CB SER A 93 -2.380 -10.645 5.408 1.00 0.00 C ATOM 1459 OG SER A 93 -3.594 -10.173 4.888 1.00 0.00 O ATOM 0 H SER A 93 -1.882 -8.155 5.578 1.00 0.00 H new ATOM 0 HA SER A 93 -0.279 -10.375 5.025 1.00 0.00 H new ATOM 0 HB2 SER A 93 -2.313 -11.726 5.282 1.00 0.00 H new ATOM 0 HB3 SER A 93 -2.327 -10.445 6.478 1.00 0.00 H new ATOM 0 HG SER A 93 -4.157 -10.933 4.631 1.00 0.00 H new ATOM 1465 N ILE A 94 -2.153 -9.264 2.568 1.00 0.00 N ATOM 1466 CA ILE A 94 -2.473 -9.335 1.149 1.00 0.00 C ATOM 1467 C ILE A 94 -1.271 -9.258 0.231 1.00 0.00 C ATOM 1468 O ILE A 94 -1.420 -9.394 -0.981 1.00 0.00 O ATOM 1469 CB ILE A 94 -3.431 -8.219 0.726 1.00 0.00 C ATOM 1470 CG1 ILE A 94 -2.757 -6.861 0.902 1.00 0.00 C ATOM 1471 CG2 ILE A 94 -4.708 -8.311 1.542 1.00 0.00 C ATOM 1472 CD1 ILE A 94 -3.536 -5.732 0.285 1.00 0.00 C ATOM 0 H ILE A 94 -2.490 -8.413 3.017 1.00 0.00 H new ATOM 0 HA ILE A 94 -2.932 -10.318 1.040 1.00 0.00 H new ATOM 0 HB ILE A 94 -3.688 -8.332 -0.327 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -2.623 -6.664 1.966 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -1.763 -6.895 0.456 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -5.390 -7.516 1.241 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -5.180 -9.279 1.371 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -4.472 -8.204 2.601 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -3.005 -4.794 0.444 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -3.648 -5.909 -0.785 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -4.521 -5.674 0.748 1.00 0.00 H new ATOM 1484 N LEU A 95 -0.087 -8.984 0.762 1.00 0.00 N ATOM 1485 CA LEU A 95 1.086 -8.950 -0.076 1.00 0.00 C ATOM 1486 C LEU A 95 1.760 -10.322 -0.087 1.00 0.00 C ATOM 1487 O LEU A 95 2.615 -10.588 -0.936 1.00 0.00 O ATOM 1488 CB LEU A 95 1.997 -7.844 0.450 1.00 0.00 C ATOM 1489 CG LEU A 95 1.320 -6.467 0.396 1.00 0.00 C ATOM 1490 CD1 LEU A 95 2.220 -5.422 1.039 1.00 0.00 C ATOM 1491 CD2 LEU A 95 1.007 -6.127 -1.051 1.00 0.00 C ATOM 0 H LEU A 95 0.078 -8.787 1.749 1.00 0.00 H new ATOM 0 HA LEU A 95 0.833 -8.728 -1.113 1.00 0.00 H new ATOM 0 HB2 LEU A 95 2.282 -8.068 1.478 1.00 0.00 H new ATOM 0 HB3 LEU A 95 2.915 -7.820 -0.138 1.00 0.00 H new ATOM 0 HG LEU A 95 0.385 -6.483 0.956 1.00 0.00 H new ATOM 0 HD11 LEU A 95 1.734 -4.447 0.997 1.00 0.00 H new ATOM 0 HD12 LEU A 95 2.405 -5.691 2.079 1.00 0.00 H new ATOM 0 HD13 LEU A 95 3.168 -5.378 0.502 1.00 0.00 H new ATOM 0 HD21 LEU A 95 0.526 -5.150 -1.099 1.00 0.00 H new ATOM 0 HD22 LEU A 95 1.932 -6.105 -1.628 1.00 0.00 H new ATOM 0 HD23 LEU A 95 0.339 -6.882 -1.466 1.00 0.00 H new ATOM 1503 N THR A 96 1.360 -11.199 0.847 1.00 0.00 N ATOM 1504 CA THR A 96 1.904 -12.548 0.951 1.00 0.00 C ATOM 1505 C THR A 96 0.776 -13.577 1.076 1.00 0.00 C ATOM 1506 O THR A 96 0.254 -14.085 0.084 1.00 0.00 O ATOM 1507 CB THR A 96 2.857 -12.711 2.162 1.00 0.00 C ATOM 1508 OG1 THR A 96 2.173 -12.355 3.370 1.00 0.00 O ATOM 1509 CG2 THR A 96 4.091 -11.834 2.012 1.00 0.00 C ATOM 0 H THR A 96 0.650 -10.986 1.548 1.00 0.00 H new ATOM 0 HA THR A 96 2.474 -12.719 0.038 1.00 0.00 H new ATOM 0 HB THR A 96 3.172 -13.754 2.204 1.00 0.00 H new ATOM 0 HG1 THR A 96 2.779 -12.461 4.133 1.00 0.00 H new ATOM 0 HG21 THR A 96 4.741 -11.970 2.876 1.00 0.00 H new ATOM 0 HG22 THR A 96 4.629 -12.114 1.106 1.00 0.00 H new ATOM 0 HG23 THR A 96 3.789 -10.789 1.946 1.00 0.00 H new ATOM 1517 N GLU A 97 0.369 -13.828 2.321 1.00 0.00 N ATOM 1518 CA GLU A 97 -0.604 -14.858 2.688 1.00 0.00 C ATOM 1519 C GLU A 97 -1.996 -14.733 2.081 1.00 0.00 C ATOM 1520 O GLU A 97 -2.607 -15.745 1.735 1.00 0.00 O ATOM 1521 CB GLU A 97 -0.750 -14.867 4.210 1.00 0.00 C ATOM 1522 CG GLU A 97 0.474 -15.384 4.952 1.00 0.00 C ATOM 1523 CD GLU A 97 0.332 -15.318 6.448 1.00 0.00 C ATOM 1524 OE1 GLU A 97 -0.626 -14.748 6.914 1.00 0.00 O ATOM 1525 OE2 GLU A 97 1.184 -15.840 7.127 1.00 0.00 O ATOM 0 H GLU A 97 0.717 -13.305 3.125 1.00 0.00 H new ATOM 0 HA GLU A 97 -0.196 -15.782 2.278 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -0.965 -13.854 4.549 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -1.609 -15.482 4.478 1.00 0.00 H new ATOM 0 HG2 GLU A 97 0.661 -16.416 4.656 1.00 0.00 H new ATOM 0 HG3 GLU A 97 1.346 -14.803 4.650 1.00 0.00 H new ATOM 1532 N ASP A 98 -2.497 -13.512 1.953 1.00 0.00 N ATOM 1533 CA ASP A 98 -3.803 -13.271 1.368 1.00 0.00 C ATOM 1534 C ASP A 98 -3.670 -12.664 -0.028 1.00 0.00 C ATOM 1535 O ASP A 98 -4.623 -12.063 -0.527 1.00 0.00 O ATOM 1536 CB ASP A 98 -4.642 -12.358 2.278 1.00 0.00 C ATOM 1537 CG ASP A 98 -5.029 -13.002 3.610 1.00 0.00 C ATOM 1538 OD1 ASP A 98 -5.327 -14.173 3.603 1.00 0.00 O ATOM 1539 OD2 ASP A 98 -5.032 -12.330 4.618 1.00 0.00 O ATOM 0 H ASP A 98 -2.010 -12.667 2.251 1.00 0.00 H new ATOM 0 HA ASP A 98 -4.315 -14.228 1.274 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -4.082 -11.444 2.476 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -5.549 -12.067 1.748 1.00 0.00 H new ATOM 1544 N TRP A 99 -2.499 -12.798 -0.655 1.00 0.00 N ATOM 1545 CA TRP A 99 -2.309 -12.234 -1.981 1.00 0.00 C ATOM 1546 C TRP A 99 -3.120 -12.956 -3.046 1.00 0.00 C ATOM 1547 O TRP A 99 -3.261 -14.179 -3.033 1.00 0.00 O ATOM 1548 CB TRP A 99 -0.829 -12.229 -2.378 1.00 0.00 C ATOM 1549 CG TRP A 99 -0.647 -11.639 -3.741 1.00 0.00 C ATOM 1550 CD1 TRP A 99 -0.531 -10.325 -4.088 1.00 0.00 C ATOM 1551 CD2 TRP A 99 -0.585 -12.387 -4.975 1.00 0.00 C ATOM 1552 NE1 TRP A 99 -0.414 -10.208 -5.451 1.00 0.00 N ATOM 1553 CE2 TRP A 99 -0.450 -11.460 -6.007 1.00 0.00 C ATOM 1554 CE3 TRP A 99 -0.644 -13.752 -5.271 1.00 0.00 C ATOM 1555 CZ2 TRP A 99 -0.377 -11.853 -7.328 1.00 0.00 C ATOM 1556 CZ3 TRP A 99 -0.567 -14.149 -6.595 1.00 0.00 C ATOM 1557 CH2 TRP A 99 -0.438 -13.221 -7.588 1.00 0.00 C ATOM 0 H TRP A 99 -1.688 -13.282 -0.271 1.00 0.00 H new ATOM 0 HA TRP A 99 -2.670 -11.207 -1.925 1.00 0.00 H new ATOM 0 HB2 TRP A 99 -0.254 -11.657 -1.649 1.00 0.00 H new ATOM 0 HB3 TRP A 99 -0.440 -13.247 -2.363 1.00 0.00 H new ATOM 0 HD1 TRP A 99 -0.531 -9.498 -3.393 1.00 0.00 H new ATOM 0 HE1 TRP A 99 -0.316 -9.333 -5.965 1.00 0.00 H new ATOM 0 HE3 TRP A 99 -0.748 -14.482 -4.482 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 -0.277 -11.132 -8.126 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 -0.609 -15.199 -6.844 1.00 0.00 H new ATOM 0 HH2 TRP A 99 -0.381 -13.559 -8.612 1.00 0.00 H new ATOM 1568 N SER A 100 -3.639 -12.167 -3.979 1.00 0.00 N ATOM 1569 CA SER A 100 -4.446 -12.648 -5.082 1.00 0.00 C ATOM 1570 C SER A 100 -4.233 -11.826 -6.347 1.00 0.00 C ATOM 1571 O SER A 100 -4.070 -10.610 -6.251 1.00 0.00 O ATOM 1572 CB SER A 100 -5.917 -12.577 -4.726 1.00 0.00 C ATOM 1573 OG SER A 100 -6.720 -12.943 -5.818 1.00 0.00 O ATOM 0 H SER A 100 -3.505 -11.156 -3.986 1.00 0.00 H new ATOM 0 HA SER A 100 -4.139 -13.677 -5.268 1.00 0.00 H new ATOM 0 HB2 SER A 100 -6.122 -13.236 -3.883 1.00 0.00 H new ATOM 0 HB3 SER A 100 -6.169 -11.565 -4.408 1.00 0.00 H new ATOM 0 HG SER A 100 -7.664 -12.891 -5.562 1.00 0.00 H new ATOM 1579 N PRO A 101 -4.236 -12.451 -7.536 1.00 0.00 N ATOM 1580 CA PRO A 101 -4.159 -11.809 -8.838 1.00 0.00 C ATOM 1581 C PRO A 101 -5.234 -10.747 -9.070 1.00 0.00 C ATOM 1582 O PRO A 101 -5.079 -9.878 -9.927 1.00 0.00 O ATOM 1583 CB PRO A 101 -4.333 -13.008 -9.779 1.00 0.00 C ATOM 1584 CG PRO A 101 -3.817 -14.181 -8.998 1.00 0.00 C ATOM 1585 CD PRO A 101 -4.189 -13.920 -7.558 1.00 0.00 C ATOM 0 HA PRO A 101 -3.235 -11.247 -8.977 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -5.378 -13.146 -10.057 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -3.773 -12.870 -10.704 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -4.261 -15.111 -9.353 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -2.737 -14.280 -9.110 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -5.148 -14.366 -7.293 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -3.449 -14.318 -6.863 1.00 0.00 H new ATOM 1593 N ALA A 102 -6.343 -10.837 -8.332 1.00 0.00 N ATOM 1594 CA ALA A 102 -7.442 -9.891 -8.415 1.00 0.00 C ATOM 1595 C ALA A 102 -7.134 -8.555 -7.731 1.00 0.00 C ATOM 1596 O ALA A 102 -7.875 -7.592 -7.933 1.00 0.00 O ATOM 1597 CB ALA A 102 -8.682 -10.505 -7.789 1.00 0.00 C ATOM 0 H ALA A 102 -6.498 -11.582 -7.653 1.00 0.00 H new ATOM 0 HA ALA A 102 -7.605 -9.679 -9.472 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -9.509 -9.797 -7.850 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -8.946 -11.418 -8.324 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -8.483 -10.741 -6.744 1.00 0.00 H new ATOM 1603 N LEU A 103 -6.062 -8.470 -6.941 1.00 0.00 N ATOM 1604 CA LEU A 103 -5.750 -7.229 -6.240 1.00 0.00 C ATOM 1605 C LEU A 103 -5.169 -6.142 -7.136 1.00 0.00 C ATOM 1606 O LEU A 103 -4.398 -6.406 -8.061 1.00 0.00 O ATOM 1607 CB LEU A 103 -4.738 -7.505 -5.121 1.00 0.00 C ATOM 1608 CG LEU A 103 -5.198 -8.422 -3.981 1.00 0.00 C ATOM 1609 CD1 LEU A 103 -4.023 -8.676 -3.051 1.00 0.00 C ATOM 1610 CD2 LEU A 103 -6.344 -7.764 -3.229 1.00 0.00 C ATOM 0 H LEU A 103 -5.407 -9.233 -6.774 1.00 0.00 H new ATOM 0 HA LEU A 103 -6.701 -6.865 -5.851 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -3.847 -7.943 -5.570 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -4.441 -6.549 -4.689 1.00 0.00 H new ATOM 0 HG LEU A 103 -5.550 -9.373 -4.381 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -4.338 -9.327 -2.236 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -3.216 -9.154 -3.606 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -3.671 -7.729 -2.643 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -6.670 -8.417 -2.419 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -6.009 -6.812 -2.816 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -7.175 -7.591 -3.912 1.00 0.00 H new ATOM 1622 N SER A 104 -5.591 -4.912 -6.860 1.00 0.00 N ATOM 1623 CA SER A 104 -5.113 -3.712 -7.538 1.00 0.00 C ATOM 1624 C SER A 104 -4.166 -2.880 -6.678 1.00 0.00 C ATOM 1625 O SER A 104 -4.059 -3.112 -5.472 1.00 0.00 O ATOM 1626 CB SER A 104 -6.302 -2.859 -7.934 1.00 0.00 C ATOM 1627 OG SER A 104 -6.970 -2.353 -6.806 1.00 0.00 O ATOM 0 H SER A 104 -6.290 -4.718 -6.143 1.00 0.00 H new ATOM 0 HA SER A 104 -4.552 -4.038 -8.414 1.00 0.00 H new ATOM 0 HB2 SER A 104 -5.966 -2.033 -8.560 1.00 0.00 H new ATOM 0 HB3 SER A 104 -6.994 -3.452 -8.532 1.00 0.00 H new ATOM 0 HG SER A 104 -7.816 -1.942 -7.083 1.00 0.00 H new ATOM 1633 N VAL A 105 -3.480 -1.908 -7.289 1.00 0.00 N ATOM 1634 CA VAL A 105 -2.655 -0.975 -6.524 1.00 0.00 C ATOM 1635 C VAL A 105 -3.521 -0.187 -5.542 1.00 0.00 C ATOM 1636 O VAL A 105 -3.044 0.195 -4.475 1.00 0.00 O ATOM 1637 CB VAL A 105 -1.905 -0.003 -7.473 1.00 0.00 C ATOM 1638 CG1 VAL A 105 -2.871 0.970 -8.138 1.00 0.00 C ATOM 1639 CG2 VAL A 105 -0.866 0.792 -6.688 1.00 0.00 C ATOM 0 H VAL A 105 -3.480 -1.750 -8.297 1.00 0.00 H new ATOM 0 HA VAL A 105 -1.917 -1.549 -5.963 1.00 0.00 H new ATOM 0 HB VAL A 105 -1.417 -0.599 -8.244 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -2.318 1.639 -8.797 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -3.605 0.413 -8.720 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -3.382 1.555 -7.373 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -0.344 1.472 -7.361 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -1.362 1.366 -5.905 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -0.149 0.107 -6.236 1.00 0.00 H new ATOM 1649 N GLN A 106 -4.796 0.010 -5.891 1.00 0.00 N ATOM 1650 CA GLN A 106 -5.762 0.694 -5.056 1.00 0.00 C ATOM 1651 C GLN A 106 -6.138 -0.179 -3.885 1.00 0.00 C ATOM 1652 O GLN A 106 -6.337 0.338 -2.792 1.00 0.00 O ATOM 1653 CB GLN A 106 -7.042 1.013 -5.810 1.00 0.00 C ATOM 1654 CG GLN A 106 -6.958 2.041 -6.907 1.00 0.00 C ATOM 1655 CD GLN A 106 -8.319 2.139 -7.550 1.00 0.00 C ATOM 1656 OE1 GLN A 106 -9.265 2.656 -6.949 1.00 0.00 O ATOM 1657 NE2 GLN A 106 -8.432 1.623 -8.765 1.00 0.00 N ATOM 0 H GLN A 106 -5.183 -0.311 -6.779 1.00 0.00 H new ATOM 0 HA GLN A 106 -5.293 1.622 -4.729 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -7.418 0.086 -6.244 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -7.784 1.351 -5.087 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -6.656 3.007 -6.503 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -6.207 1.754 -7.643 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -7.620 1.207 -9.220 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -9.331 1.642 -9.246 1.00 0.00 H new ATOM 1666 N SER A 107 -6.269 -1.487 -4.133 1.00 0.00 N ATOM 1667 CA SER A 107 -6.602 -2.462 -3.100 1.00 0.00 C ATOM 1668 C SER A 107 -5.557 -2.426 -2.000 1.00 0.00 C ATOM 1669 O SER A 107 -5.894 -2.457 -0.812 1.00 0.00 O ATOM 1670 CB SER A 107 -6.610 -3.874 -3.661 1.00 0.00 C ATOM 1671 OG SER A 107 -7.572 -4.053 -4.663 1.00 0.00 O ATOM 0 H SER A 107 -6.146 -1.896 -5.059 1.00 0.00 H new ATOM 0 HA SER A 107 -7.590 -2.205 -2.718 1.00 0.00 H new ATOM 0 HB2 SER A 107 -5.624 -4.106 -4.064 1.00 0.00 H new ATOM 0 HB3 SER A 107 -6.798 -4.581 -2.853 1.00 0.00 H new ATOM 0 HG SER A 107 -7.409 -3.416 -5.390 1.00 0.00 H new ATOM 1677 N VAL A 108 -4.291 -2.362 -2.422 1.00 0.00 N ATOM 1678 CA VAL A 108 -3.193 -2.325 -1.473 1.00 0.00 C ATOM 1679 C VAL A 108 -3.165 -0.994 -0.749 1.00 0.00 C ATOM 1680 O VAL A 108 -3.004 -0.987 0.470 1.00 0.00 O ATOM 1681 CB VAL A 108 -1.834 -2.555 -2.145 1.00 0.00 C ATOM 1682 CG1 VAL A 108 -0.761 -2.355 -1.088 1.00 0.00 C ATOM 1683 CG2 VAL A 108 -1.773 -3.949 -2.749 1.00 0.00 C ATOM 0 H VAL A 108 -4.011 -2.335 -3.402 1.00 0.00 H new ATOM 0 HA VAL A 108 -3.364 -3.136 -0.765 1.00 0.00 H new ATOM 0 HB VAL A 108 -1.679 -1.850 -2.962 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.222 -2.511 -1.533 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -0.823 -1.341 -0.694 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -0.910 -3.069 -0.278 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -0.803 -4.098 -3.223 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.912 -4.692 -1.964 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -2.561 -4.057 -3.494 1.00 0.00 H new ATOM 1693 N CYS A 109 -3.309 0.114 -1.472 1.00 0.00 N ATOM 1694 CA CYS A 109 -3.332 1.414 -0.821 1.00 0.00 C ATOM 1695 C CYS A 109 -4.506 1.586 0.120 1.00 0.00 C ATOM 1696 O CYS A 109 -4.344 2.223 1.156 1.00 0.00 O ATOM 1697 CB CYS A 109 -3.340 2.519 -1.864 1.00 0.00 C ATOM 1698 SG CYS A 109 -1.745 2.700 -2.684 1.00 0.00 S ATOM 0 H CYS A 109 -3.409 0.136 -2.487 1.00 0.00 H new ATOM 0 HA CYS A 109 -2.428 1.477 -0.215 1.00 0.00 H new ATOM 0 HB2 CYS A 109 -4.107 2.306 -2.609 1.00 0.00 H new ATOM 0 HB3 CYS A 109 -3.610 3.462 -1.389 1.00 0.00 H new ATOM 0 HG CYS A 109 -1.073 1.592 -2.575 1.00 0.00 H new ATOM 1704 N LEU A 110 -5.663 1.030 -0.217 1.00 0.00 N ATOM 1705 CA LEU A 110 -6.827 1.066 0.649 1.00 0.00 C ATOM 1706 C LEU A 110 -6.496 0.312 1.923 1.00 0.00 C ATOM 1707 O LEU A 110 -6.857 0.760 3.013 1.00 0.00 O ATOM 1708 CB LEU A 110 -8.052 0.467 -0.037 1.00 0.00 C ATOM 1709 CG LEU A 110 -9.321 0.490 0.817 1.00 0.00 C ATOM 1710 CD1 LEU A 110 -9.646 1.938 1.163 1.00 0.00 C ATOM 1711 CD2 LEU A 110 -10.461 -0.159 0.046 1.00 0.00 C ATOM 0 H LEU A 110 -5.817 0.542 -1.099 1.00 0.00 H new ATOM 0 HA LEU A 110 -7.074 2.102 0.883 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -8.240 1.012 -0.962 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -7.832 -0.564 -0.314 1.00 0.00 H new ATOM 0 HG LEU A 110 -9.174 -0.071 1.740 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -10.549 1.973 1.772 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -8.816 2.374 1.719 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -9.806 2.504 0.245 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -11.366 -0.143 0.653 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -10.635 0.392 -0.879 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -10.200 -1.191 -0.190 1.00 0.00 H new ATOM 1723 N SER A 111 -5.861 -0.854 1.776 1.00 0.00 N ATOM 1724 CA SER A 111 -5.428 -1.628 2.924 1.00 0.00 C ATOM 1725 C SER A 111 -4.450 -0.821 3.784 1.00 0.00 C ATOM 1726 O SER A 111 -4.557 -0.903 5.004 1.00 0.00 O ATOM 1727 CB SER A 111 -4.814 -2.935 2.473 1.00 0.00 C ATOM 1728 OG SER A 111 -5.779 -3.744 1.857 1.00 0.00 O ATOM 0 H SER A 111 -5.640 -1.275 0.874 1.00 0.00 H new ATOM 0 HA SER A 111 -6.298 -1.857 3.540 1.00 0.00 H new ATOM 0 HB2 SER A 111 -3.998 -2.739 1.778 1.00 0.00 H new ATOM 0 HB3 SER A 111 -4.386 -3.457 3.329 1.00 0.00 H new ATOM 0 HG SER A 111 -5.919 -3.442 0.935 1.00 0.00 H new ATOM 1734 N ILE A 112 -3.528 -0.065 3.173 1.00 0.00 N ATOM 1735 CA ILE A 112 -2.586 0.816 3.877 1.00 0.00 C ATOM 1736 C ILE A 112 -3.322 1.903 4.653 1.00 0.00 C ATOM 1737 O ILE A 112 -2.940 2.236 5.776 1.00 0.00 O ATOM 1738 CB ILE A 112 -1.584 1.460 2.904 1.00 0.00 C ATOM 1739 CG1 ILE A 112 -0.684 0.356 2.373 1.00 0.00 C ATOM 1740 CG2 ILE A 112 -0.779 2.565 3.580 1.00 0.00 C ATOM 1741 CD1 ILE A 112 0.171 0.751 1.205 1.00 0.00 C ATOM 0 H ILE A 112 -3.414 -0.048 2.160 1.00 0.00 H new ATOM 0 HA ILE A 112 -2.034 0.194 4.582 1.00 0.00 H new ATOM 0 HB ILE A 112 -2.115 1.937 2.080 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -0.037 0.014 3.180 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -1.305 -0.491 2.081 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -0.081 2.998 2.863 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -1.456 3.340 3.940 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -0.224 2.149 4.421 1.00 0.00 H new ATOM 0 HD11 ILE A 112 0.779 -0.099 0.895 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -0.466 1.063 0.377 1.00 0.00 H new ATOM 0 HD13 ILE A 112 0.822 1.576 1.493 1.00 0.00 H new ATOM 1753 N ILE A 113 -4.349 2.478 4.035 1.00 0.00 N ATOM 1754 CA ILE A 113 -5.193 3.476 4.673 1.00 0.00 C ATOM 1755 C ILE A 113 -5.846 2.876 5.918 1.00 0.00 C ATOM 1756 O ILE A 113 -5.827 3.510 6.977 1.00 0.00 O ATOM 1757 CB ILE A 113 -6.252 3.990 3.667 1.00 0.00 C ATOM 1758 CG1 ILE A 113 -5.557 4.803 2.569 1.00 0.00 C ATOM 1759 CG2 ILE A 113 -7.314 4.828 4.365 1.00 0.00 C ATOM 1760 CD1 ILE A 113 -6.426 5.077 1.365 1.00 0.00 C ATOM 0 H ILE A 113 -4.618 2.263 3.075 1.00 0.00 H new ATOM 0 HA ILE A 113 -4.588 4.327 4.985 1.00 0.00 H new ATOM 0 HB ILE A 113 -6.755 3.133 3.219 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -5.226 5.753 2.989 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -4.664 4.269 2.246 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -8.043 5.175 3.633 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -7.817 4.223 5.120 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -6.843 5.687 4.843 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -5.862 5.657 0.634 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -6.737 4.133 0.918 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -7.307 5.640 1.673 1.00 0.00 H new ATOM 1772 N SER A 114 -6.423 1.673 5.796 1.00 0.00 N ATOM 1773 CA SER A 114 -7.044 1.033 6.952 1.00 0.00 C ATOM 1774 C SER A 114 -6.013 0.508 7.955 1.00 0.00 C ATOM 1775 O SER A 114 -6.333 0.378 9.136 1.00 0.00 O ATOM 1776 CB SER A 114 -7.923 -0.123 6.525 1.00 0.00 C ATOM 1777 OG SER A 114 -7.156 -1.192 6.052 1.00 0.00 O ATOM 0 H SER A 114 -6.471 1.138 4.929 1.00 0.00 H new ATOM 0 HA SER A 114 -7.642 1.805 7.436 1.00 0.00 H new ATOM 0 HB2 SER A 114 -8.530 -0.452 7.368 1.00 0.00 H new ATOM 0 HB3 SER A 114 -8.611 0.207 5.747 1.00 0.00 H new ATOM 0 HG SER A 114 -6.303 -0.855 5.706 1.00 0.00 H new ATOM 1783 N MET A 115 -4.802 0.197 7.486 1.00 0.00 N ATOM 1784 CA MET A 115 -3.693 -0.237 8.324 1.00 0.00 C ATOM 1785 C MET A 115 -3.345 0.854 9.305 1.00 0.00 C ATOM 1786 O MET A 115 -3.307 0.625 10.513 1.00 0.00 O ATOM 1787 CB MET A 115 -2.465 -0.576 7.474 1.00 0.00 C ATOM 1788 CG MET A 115 -1.229 -0.986 8.252 1.00 0.00 C ATOM 1789 SD MET A 115 0.219 -1.201 7.201 1.00 0.00 S ATOM 1790 CE MET A 115 0.533 0.510 6.777 1.00 0.00 C ATOM 0 H MET A 115 -4.566 0.242 6.495 1.00 0.00 H new ATOM 0 HA MET A 115 -3.997 -1.135 8.862 1.00 0.00 H new ATOM 0 HB2 MET A 115 -2.728 -1.384 6.791 1.00 0.00 H new ATOM 0 HB3 MET A 115 -2.217 0.291 6.862 1.00 0.00 H new ATOM 0 HG2 MET A 115 -1.014 -0.231 9.008 1.00 0.00 H new ATOM 0 HG3 MET A 115 -1.430 -1.918 8.780 1.00 0.00 H new ATOM 0 HE1 MET A 115 1.481 0.585 6.244 1.00 0.00 H new ATOM 0 HE2 MET A 115 -0.271 0.881 6.141 1.00 0.00 H new ATOM 0 HE3 MET A 115 0.581 1.108 7.687 1.00 0.00 H new ATOM 1800 N LEU A 116 -3.102 2.048 8.779 1.00 0.00 N ATOM 1801 CA LEU A 116 -2.788 3.177 9.631 1.00 0.00 C ATOM 1802 C LEU A 116 -4.020 3.586 10.442 1.00 0.00 C ATOM 1803 O LEU A 116 -3.884 4.030 11.581 1.00 0.00 O ATOM 1804 CB LEU A 116 -2.258 4.334 8.775 1.00 0.00 C ATOM 1805 CG LEU A 116 -0.881 4.089 8.128 1.00 0.00 C ATOM 1806 CD1 LEU A 116 -0.549 5.249 7.202 1.00 0.00 C ATOM 1807 CD2 LEU A 116 0.180 3.942 9.210 1.00 0.00 C ATOM 0 H LEU A 116 -3.117 2.254 7.780 1.00 0.00 H new ATOM 0 HA LEU A 116 -2.009 2.898 10.341 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -2.981 4.543 7.986 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -2.197 5.227 9.397 1.00 0.00 H new ATOM 0 HG LEU A 116 -0.905 3.168 7.546 1.00 0.00 H new ATOM 0 HD11 LEU A 116 0.425 5.080 6.742 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -1.310 5.323 6.425 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -0.524 6.176 7.775 1.00 0.00 H new ATOM 0 HD21 LEU A 116 1.151 3.769 8.746 1.00 0.00 H new ATOM 0 HD22 LEU A 116 0.220 4.853 9.807 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -0.070 3.098 9.853 1.00 0.00 H new ATOM 1819 N SER A 117 -5.225 3.435 9.885 1.00 0.00 N ATOM 1820 CA SER A 117 -6.439 3.750 10.629 1.00 0.00 C ATOM 1821 C SER A 117 -6.606 2.880 11.876 1.00 0.00 C ATOM 1822 O SER A 117 -7.065 3.370 12.910 1.00 0.00 O ATOM 1823 CB SER A 117 -7.665 3.576 9.755 1.00 0.00 C ATOM 1824 OG SER A 117 -7.674 4.485 8.688 1.00 0.00 O ATOM 0 H SER A 117 -5.381 3.101 8.934 1.00 0.00 H new ATOM 0 HA SER A 117 -6.340 4.789 10.943 1.00 0.00 H new ATOM 0 HB2 SER A 117 -7.693 2.558 9.366 1.00 0.00 H new ATOM 0 HB3 SER A 117 -8.563 3.712 10.357 1.00 0.00 H new ATOM 0 HG SER A 117 -6.937 4.278 8.076 1.00 0.00 H new ATOM 1830 N SER A 118 -6.251 1.597 11.782 1.00 0.00 N ATOM 1831 CA SER A 118 -6.361 0.690 12.919 1.00 0.00 C ATOM 1832 C SER A 118 -5.023 0.142 13.397 1.00 0.00 C ATOM 1833 O SER A 118 -4.548 -0.888 12.919 1.00 0.00 O ATOM 1834 CB SER A 118 -7.260 -0.475 12.543 1.00 0.00 C ATOM 1835 OG SER A 118 -7.360 -1.417 13.581 1.00 0.00 O ATOM 0 H SER A 118 -5.886 1.167 10.932 1.00 0.00 H new ATOM 0 HA SER A 118 -6.778 1.272 13.741 1.00 0.00 H new ATOM 0 HB2 SER A 118 -8.254 -0.101 12.295 1.00 0.00 H new ATOM 0 HB3 SER A 118 -6.870 -0.961 11.649 1.00 0.00 H new ATOM 0 HG SER A 118 -7.947 -2.150 13.302 1.00 0.00 H new