USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 628 hydrogens (15 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 NoAdj-H: A 122 LYS HZ1 : A 122 LYS NZ : A 222 BTN C11 :(NH2R) USER MOD NoAdj-H: A 122 LYS HZ3 : A 122 LYS NZ : A 222 BTN C11 :(NH2R) USER MOD Set 1.1: A 123 MET CE :methyl -108:sc= -11.4! (180deg=-13.6!) USER MOD Set 1.2: A 125 ASN : amide:sc= -1.88! C(o=-13!,f=-12!) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 HIS : no HE2:sc= -8.62! C(o=-8.6!,f=-11!) USER MOD Single : A 85 SER OG : rot -150:sc= 1.3 USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.151 USER MOD Single : A 92 TYR OH : rot 180:sc= 0.176 USER MOD Single : A 94 THR OG1 : rot 47:sc= 0.443 USER MOD Single : A 96 SER OG : rot 74:sc= 1.19 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 GLN : amide:sc= -3.17! C(o=-3.2!,f=-4!) USER MOD Single : A 108 LYS NZ :NH3+ -148:sc= -0.0251 (180deg=-1.44!) USER MOD Single : A 110 ASN : amide:sc= -0.496 K(o=-0.5,f=-2.2!) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0.022 USER MOD Single : A 116 CYS SG : rot -134:sc= -3.93! USER MOD Single : A 121 MET CE :methyl 162:sc= 0 (180deg=-0.428) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= -0.451 (180deg=-0.451) USER MOD Single : A 124 MET CE :methyl -149:sc= -0.176 (180deg=-0.852) USER MOD Single : A 126 GLN : amide:sc= -0.142 K(o=-0.14,f=-3.6!) USER MOD Single : A 131 LYS NZ :NH3+ -155:sc= -0.232 (180deg=-0.847) USER MOD Single : A 132 SER OG : rot 20:sc= 0.583 USER MOD Single : A 134 THR OG1 : rot 180:sc= -0.0041 USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 SER OG : rot 180:sc=-0.00664 USER MOD Single : A 144 GLN : amide:sc= -0.375 X(o=-0.37,f=-0.02) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 77 15.854 15.745 -5.408 1.00 0.00 N ATOM 2 CA GLU A 77 15.866 14.360 -5.866 1.00 0.00 C ATOM 3 C GLU A 77 15.955 13.398 -4.684 1.00 0.00 C ATOM 4 O GLU A 77 16.709 13.627 -3.740 1.00 0.00 O ATOM 5 CB GLU A 77 17.041 14.126 -6.817 1.00 0.00 C ATOM 6 CG GLU A 77 16.656 13.387 -8.089 1.00 0.00 C ATOM 7 CD GLU A 77 17.416 13.885 -9.303 1.00 0.00 C ATOM 8 OE1 GLU A 77 17.005 14.913 -9.880 1.00 0.00 O ATOM 9 OE2 GLU A 77 18.421 13.245 -9.677 1.00 0.00 O ATOM 0 HA GLU A 77 14.934 14.171 -6.398 1.00 0.00 H new ATOM 0 HB2 GLU A 77 17.479 15.088 -7.084 1.00 0.00 H new ATOM 0 HB3 GLU A 77 17.812 13.558 -6.296 1.00 0.00 H new ATOM 0 HG2 GLU A 77 16.845 12.322 -7.958 1.00 0.00 H new ATOM 0 HG3 GLU A 77 15.586 13.502 -8.262 1.00 0.00 H new ATOM 16 N ILE A 78 15.180 12.320 -4.747 1.00 0.00 N ATOM 17 CA ILE A 78 15.172 11.323 -3.684 1.00 0.00 C ATOM 18 C ILE A 78 15.125 9.910 -4.256 1.00 0.00 C ATOM 19 O ILE A 78 14.659 9.698 -5.375 1.00 0.00 O ATOM 20 CB ILE A 78 13.974 11.520 -2.736 1.00 0.00 C ATOM 21 CG1 ILE A 78 13.985 10.457 -1.636 1.00 0.00 C ATOM 22 CG2 ILE A 78 12.668 11.470 -3.515 1.00 0.00 C ATOM 23 CD1 ILE A 78 12.801 10.544 -0.698 1.00 0.00 C ATOM 0 H ILE A 78 14.550 12.115 -5.523 1.00 0.00 H new ATOM 0 HA ILE A 78 16.096 11.455 -3.121 1.00 0.00 H new ATOM 0 HB ILE A 78 14.058 12.501 -2.268 1.00 0.00 H new ATOM 0 HG12 ILE A 78 14.001 9.469 -2.097 1.00 0.00 H new ATOM 0 HG13 ILE A 78 14.904 10.554 -1.058 1.00 0.00 H new ATOM 0 HG21 ILE A 78 11.831 11.611 -2.831 1.00 0.00 H new ATOM 0 HG22 ILE A 78 12.661 12.261 -4.265 1.00 0.00 H new ATOM 0 HG23 ILE A 78 12.575 10.502 -4.008 1.00 0.00 H new ATOM 0 HD11 ILE A 78 12.875 9.760 0.056 1.00 0.00 H new ATOM 0 HD12 ILE A 78 12.795 11.518 -0.209 1.00 0.00 H new ATOM 0 HD13 ILE A 78 11.878 10.417 -1.264 1.00 0.00 H new ATOM 35 N SER A 79 15.612 8.947 -3.479 1.00 0.00 N ATOM 36 CA SER A 79 15.626 7.554 -3.908 1.00 0.00 C ATOM 37 C SER A 79 14.339 6.846 -3.497 1.00 0.00 C ATOM 38 O SER A 79 14.333 5.638 -3.259 1.00 0.00 O ATOM 39 CB SER A 79 16.834 6.828 -3.312 1.00 0.00 C ATOM 40 OG SER A 79 17.985 7.654 -3.331 1.00 0.00 O ATOM 0 H SER A 79 16.002 9.106 -2.550 1.00 0.00 H new ATOM 0 HA SER A 79 15.699 7.535 -4.995 1.00 0.00 H new ATOM 0 HB2 SER A 79 16.614 6.529 -2.287 1.00 0.00 H new ATOM 0 HB3 SER A 79 17.028 5.915 -3.875 1.00 0.00 H new ATOM 0 HG SER A 79 18.743 7.168 -2.943 1.00 0.00 H new ATOM 46 N GLY A 80 13.252 7.605 -3.415 1.00 0.00 N ATOM 47 CA GLY A 80 11.974 7.032 -3.034 1.00 0.00 C ATOM 48 C GLY A 80 10.811 7.667 -3.768 1.00 0.00 C ATOM 49 O GLY A 80 10.997 8.308 -4.803 1.00 0.00 O ATOM 0 H GLY A 80 13.233 8.607 -3.606 1.00 0.00 H new ATOM 0 HA2 GLY A 80 11.985 5.961 -3.236 1.00 0.00 H new ATOM 0 HA3 GLY A 80 11.831 7.153 -1.960 1.00 0.00 H new ATOM 53 N HIS A 81 9.607 7.489 -3.233 1.00 0.00 N ATOM 54 CA HIS A 81 8.408 8.050 -3.846 1.00 0.00 C ATOM 55 C HIS A 81 7.199 7.873 -2.934 1.00 0.00 C ATOM 56 O HIS A 81 7.339 7.538 -1.758 1.00 0.00 O ATOM 57 CB HIS A 81 8.143 7.388 -5.199 1.00 0.00 C ATOM 58 CG HIS A 81 7.871 5.919 -5.103 1.00 0.00 C ATOM 59 ND1 HIS A 81 6.817 5.304 -5.748 1.00 0.00 N ATOM 60 CD2 HIS A 81 8.522 4.938 -4.435 1.00 0.00 C ATOM 61 CE1 HIS A 81 6.832 4.011 -5.479 1.00 0.00 C ATOM 62 NE2 HIS A 81 7.858 3.763 -4.685 1.00 0.00 N ATOM 0 H HIS A 81 9.436 6.961 -2.377 1.00 0.00 H new ATOM 0 HA HIS A 81 8.573 9.117 -3.999 1.00 0.00 H new ATOM 0 HB2 HIS A 81 7.292 7.877 -5.673 1.00 0.00 H new ATOM 0 HB3 HIS A 81 9.004 7.548 -5.848 1.00 0.00 H new ATOM 0 HD1 HIS A 81 6.133 5.775 -6.340 1.00 0.00 H new ATOM 0 HD2 HIS A 81 9.401 5.058 -3.819 1.00 0.00 H new ATOM 0 HE1 HIS A 81 6.126 3.281 -5.846 1.00 0.00 H new ATOM 71 N ILE A 82 6.011 8.101 -3.485 1.00 0.00 N ATOM 72 CA ILE A 82 4.777 7.965 -2.722 1.00 0.00 C ATOM 73 C ILE A 82 3.689 7.291 -3.550 1.00 0.00 C ATOM 74 O ILE A 82 3.269 7.812 -4.583 1.00 0.00 O ATOM 75 CB ILE A 82 4.264 9.334 -2.236 1.00 0.00 C ATOM 76 CG1 ILE A 82 5.299 9.995 -1.321 1.00 0.00 C ATOM 77 CG2 ILE A 82 2.932 9.175 -1.517 1.00 0.00 C ATOM 78 CD1 ILE A 82 4.707 11.017 -0.374 1.00 0.00 C ATOM 0 H ILE A 82 5.878 8.381 -4.457 1.00 0.00 H new ATOM 0 HA ILE A 82 5.007 7.343 -1.857 1.00 0.00 H new ATOM 0 HB ILE A 82 4.111 9.978 -3.102 1.00 0.00 H new ATOM 0 HG12 ILE A 82 5.803 9.223 -0.740 1.00 0.00 H new ATOM 0 HG13 ILE A 82 6.058 10.479 -1.935 1.00 0.00 H new ATOM 0 HG21 ILE A 82 2.582 10.151 -1.179 1.00 0.00 H new ATOM 0 HG22 ILE A 82 2.200 8.743 -2.199 1.00 0.00 H new ATOM 0 HG23 ILE A 82 3.059 8.518 -0.657 1.00 0.00 H new ATOM 0 HD11 ILE A 82 5.498 11.443 0.242 1.00 0.00 H new ATOM 0 HD12 ILE A 82 4.227 11.810 -0.948 1.00 0.00 H new ATOM 0 HD13 ILE A 82 3.968 10.535 0.266 1.00 0.00 H new ATOM 90 N VAL A 83 3.237 6.130 -3.088 1.00 0.00 N ATOM 91 CA VAL A 83 2.197 5.385 -3.785 1.00 0.00 C ATOM 92 C VAL A 83 0.809 5.820 -3.330 1.00 0.00 C ATOM 93 O VAL A 83 0.257 5.270 -2.376 1.00 0.00 O ATOM 94 CB VAL A 83 2.346 3.869 -3.557 1.00 0.00 C ATOM 95 CG1 VAL A 83 1.373 3.097 -4.435 1.00 0.00 C ATOM 96 CG2 VAL A 83 3.778 3.428 -3.821 1.00 0.00 C ATOM 0 H VAL A 83 3.575 5.685 -2.234 1.00 0.00 H new ATOM 0 HA VAL A 83 2.312 5.600 -4.847 1.00 0.00 H new ATOM 0 HB VAL A 83 2.109 3.652 -2.515 1.00 0.00 H new ATOM 0 HG11 VAL A 83 1.494 2.028 -4.259 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.352 3.391 -4.193 1.00 0.00 H new ATOM 0 HG13 VAL A 83 1.575 3.318 -5.483 1.00 0.00 H new ATOM 0 HG21 VAL A 83 3.864 2.354 -3.655 1.00 0.00 H new ATOM 0 HG22 VAL A 83 4.045 3.658 -4.852 1.00 0.00 H new ATOM 0 HG23 VAL A 83 4.451 3.955 -3.145 1.00 0.00 H new ATOM 106 N ARG A 84 0.250 6.811 -4.017 1.00 0.00 N ATOM 107 CA ARG A 84 -1.075 7.319 -3.682 1.00 0.00 C ATOM 108 C ARG A 84 -2.158 6.326 -4.093 1.00 0.00 C ATOM 109 O ARG A 84 -1.889 5.354 -4.798 1.00 0.00 O ATOM 110 CB ARG A 84 -1.315 8.666 -4.364 1.00 0.00 C ATOM 111 CG ARG A 84 -1.836 8.546 -5.787 1.00 0.00 C ATOM 112 CD ARG A 84 -0.754 8.053 -6.734 1.00 0.00 C ATOM 113 NE ARG A 84 -1.044 8.398 -8.123 1.00 0.00 N ATOM 114 CZ ARG A 84 -1.774 7.638 -8.933 1.00 0.00 C ATOM 115 NH1 ARG A 84 -2.283 6.495 -8.495 1.00 0.00 N ATOM 116 NH2 ARG A 84 -1.995 8.021 -10.184 1.00 0.00 N ATOM 0 H ARG A 84 0.694 7.278 -4.808 1.00 0.00 H new ATOM 0 HA ARG A 84 -1.123 7.454 -2.601 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -2.028 9.241 -3.773 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -0.382 9.229 -4.374 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -2.682 7.859 -5.810 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -2.203 9.515 -6.125 1.00 0.00 H new ATOM 0 HD2 ARG A 84 0.204 8.485 -6.446 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -0.657 6.971 -6.642 1.00 0.00 H new ATOM 0 HE ARG A 84 -0.665 9.270 -8.492 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -2.115 6.197 -7.534 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -2.843 5.914 -9.119 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -1.605 8.899 -10.525 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -2.555 7.437 -10.805 1.00 0.00 H new ATOM 130 N SER A 85 -3.383 6.578 -3.647 1.00 0.00 N ATOM 131 CA SER A 85 -4.510 5.708 -3.967 1.00 0.00 C ATOM 132 C SER A 85 -5.144 6.105 -5.296 1.00 0.00 C ATOM 133 O SER A 85 -5.481 7.268 -5.514 1.00 0.00 O ATOM 134 CB SER A 85 -5.557 5.765 -2.855 1.00 0.00 C ATOM 135 OG SER A 85 -6.667 6.558 -3.238 1.00 0.00 O ATOM 0 H SER A 85 -3.622 7.379 -3.062 1.00 0.00 H new ATOM 0 HA SER A 85 -4.135 4.688 -4.053 1.00 0.00 H new ATOM 0 HB2 SER A 85 -5.893 4.756 -2.616 1.00 0.00 H new ATOM 0 HB3 SER A 85 -5.109 6.175 -1.950 1.00 0.00 H new ATOM 0 HG SER A 85 -7.065 6.969 -2.443 1.00 0.00 H new ATOM 141 N PRO A 86 -5.314 5.133 -6.206 1.00 0.00 N ATOM 142 CA PRO A 86 -5.911 5.376 -7.522 1.00 0.00 C ATOM 143 C PRO A 86 -7.418 5.595 -7.441 1.00 0.00 C ATOM 144 O PRO A 86 -7.972 6.437 -8.149 1.00 0.00 O ATOM 145 CB PRO A 86 -5.596 4.092 -8.290 1.00 0.00 C ATOM 146 CG PRO A 86 -5.493 3.039 -7.241 1.00 0.00 C ATOM 147 CD PRO A 86 -4.936 3.720 -6.018 1.00 0.00 C ATOM 0 HA PRO A 86 -5.519 6.278 -7.992 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -6.381 3.859 -9.010 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -4.666 4.184 -8.851 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -6.469 2.600 -7.032 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -4.842 2.228 -7.566 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -5.361 3.310 -5.102 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -3.855 3.600 -5.949 1.00 0.00 H new ATOM 155 N MET A 87 -8.076 4.834 -6.573 1.00 0.00 N ATOM 156 CA MET A 87 -9.520 4.946 -6.398 1.00 0.00 C ATOM 157 C MET A 87 -9.911 4.719 -4.940 1.00 0.00 C ATOM 158 O MET A 87 -9.066 4.772 -4.047 1.00 0.00 O ATOM 159 CB MET A 87 -10.246 3.941 -7.295 1.00 0.00 C ATOM 160 CG MET A 87 -10.004 2.492 -6.906 1.00 0.00 C ATOM 161 SD MET A 87 -9.551 1.461 -8.314 1.00 0.00 S ATOM 162 CE MET A 87 -11.104 1.397 -9.201 1.00 0.00 C ATOM 0 H MET A 87 -7.633 4.133 -5.980 1.00 0.00 H new ATOM 0 HA MET A 87 -9.817 5.955 -6.683 1.00 0.00 H new ATOM 0 HB2 MET A 87 -11.316 4.144 -7.261 1.00 0.00 H new ATOM 0 HB3 MET A 87 -9.926 4.090 -8.326 1.00 0.00 H new ATOM 0 HG2 MET A 87 -9.212 2.448 -6.159 1.00 0.00 H new ATOM 0 HG3 MET A 87 -10.904 2.090 -6.441 1.00 0.00 H new ATOM 0 HE1 MET A 87 -10.985 0.793 -10.100 1.00 0.00 H new ATOM 0 HE2 MET A 87 -11.869 0.953 -8.564 1.00 0.00 H new ATOM 0 HE3 MET A 87 -11.406 2.407 -9.480 1.00 0.00 H new ATOM 172 N VAL A 88 -11.196 4.469 -4.708 1.00 0.00 N ATOM 173 CA VAL A 88 -11.695 4.235 -3.358 1.00 0.00 C ATOM 174 C VAL A 88 -11.784 2.744 -3.055 1.00 0.00 C ATOM 175 O VAL A 88 -12.085 1.938 -3.934 1.00 0.00 O ATOM 176 CB VAL A 88 -13.082 4.871 -3.154 1.00 0.00 C ATOM 177 CG1 VAL A 88 -13.683 4.425 -1.830 1.00 0.00 C ATOM 178 CG2 VAL A 88 -12.991 6.387 -3.224 1.00 0.00 C ATOM 0 H VAL A 88 -11.909 4.423 -5.436 1.00 0.00 H new ATOM 0 HA VAL A 88 -10.985 4.700 -2.674 1.00 0.00 H new ATOM 0 HB VAL A 88 -13.738 4.534 -3.957 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -14.663 4.884 -1.702 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -13.787 3.340 -1.825 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -13.030 4.731 -1.013 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -13.981 6.818 -3.078 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -12.319 6.748 -2.445 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -12.607 6.684 -4.200 1.00 0.00 H new ATOM 188 N GLY A 89 -11.522 2.385 -1.802 1.00 0.00 N ATOM 189 CA GLY A 89 -11.578 0.992 -1.401 1.00 0.00 C ATOM 190 C GLY A 89 -11.388 0.813 0.092 1.00 0.00 C ATOM 191 O GLY A 89 -12.020 1.503 0.892 1.00 0.00 O ATOM 0 H GLY A 89 -11.272 3.035 -1.057 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -12.539 0.570 -1.695 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -10.808 0.432 -1.932 1.00 0.00 H new ATOM 195 N THR A 90 -10.514 -0.114 0.469 1.00 0.00 N ATOM 196 CA THR A 90 -10.242 -0.379 1.877 1.00 0.00 C ATOM 197 C THR A 90 -8.793 -0.808 2.078 1.00 0.00 C ATOM 198 O THR A 90 -8.435 -1.958 1.826 1.00 0.00 O ATOM 199 CB THR A 90 -11.185 -1.461 2.406 1.00 0.00 C ATOM 200 OG1 THR A 90 -12.427 -1.421 1.725 1.00 0.00 O ATOM 201 CG2 THR A 90 -11.470 -1.334 3.887 1.00 0.00 C ATOM 0 H THR A 90 -9.982 -0.694 -0.180 1.00 0.00 H new ATOM 0 HA THR A 90 -10.410 0.543 2.434 1.00 0.00 H new ATOM 0 HB THR A 90 -10.669 -2.405 2.231 1.00 0.00 H new ATOM 0 HG1 THR A 90 -13.015 -2.121 2.076 1.00 0.00 H new ATOM 0 HG21 THR A 90 -12.145 -2.132 4.197 1.00 0.00 H new ATOM 0 HG22 THR A 90 -10.537 -1.411 4.445 1.00 0.00 H new ATOM 0 HG23 THR A 90 -11.934 -0.368 4.087 1.00 0.00 H new ATOM 209 N PHE A 91 -7.963 0.125 2.532 1.00 0.00 N ATOM 210 CA PHE A 91 -6.551 -0.155 2.765 1.00 0.00 C ATOM 211 C PHE A 91 -6.371 -1.132 3.922 1.00 0.00 C ATOM 212 O PHE A 91 -7.237 -1.249 4.789 1.00 0.00 O ATOM 213 CB PHE A 91 -5.796 1.142 3.054 1.00 0.00 C ATOM 214 CG PHE A 91 -4.464 0.928 3.713 1.00 0.00 C ATOM 215 CD1 PHE A 91 -3.420 0.325 3.020 1.00 0.00 C ATOM 216 CD2 PHE A 91 -4.251 1.330 5.026 1.00 0.00 C ATOM 217 CE1 PHE A 91 -2.190 0.125 3.625 1.00 0.00 C ATOM 218 CE2 PHE A 91 -3.023 1.134 5.638 1.00 0.00 C ATOM 219 CZ PHE A 91 -1.991 0.531 4.936 1.00 0.00 C ATOM 0 H PHE A 91 -8.244 1.082 2.746 1.00 0.00 H new ATOM 0 HA PHE A 91 -6.143 -0.613 1.864 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -5.647 1.682 2.119 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -6.411 1.776 3.693 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -3.570 0.009 1.998 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -5.052 1.801 5.576 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -1.388 -0.346 3.077 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -2.871 1.450 6.659 1.00 0.00 H new ATOM 0 HZ PHE A 91 -1.033 0.377 5.410 1.00 0.00 H new ATOM 229 N TYR A 92 -5.241 -1.833 3.927 1.00 0.00 N ATOM 230 CA TYR A 92 -4.946 -2.801 4.978 1.00 0.00 C ATOM 231 C TYR A 92 -3.443 -2.901 5.222 1.00 0.00 C ATOM 232 O TYR A 92 -2.652 -2.223 4.568 1.00 0.00 O ATOM 233 CB TYR A 92 -5.502 -4.174 4.599 1.00 0.00 C ATOM 234 CG TYR A 92 -6.774 -4.538 5.330 1.00 0.00 C ATOM 235 CD1 TYR A 92 -6.730 -5.180 6.566 1.00 0.00 C ATOM 236 CD2 TYR A 92 -8.022 -4.241 4.784 1.00 0.00 C ATOM 237 CE1 TYR A 92 -7.895 -5.516 7.238 1.00 0.00 C ATOM 238 CE2 TYR A 92 -9.191 -4.573 5.449 1.00 0.00 C ATOM 239 CZ TYR A 92 -9.122 -5.211 6.676 1.00 0.00 C ATOM 240 OH TYR A 92 -10.280 -5.543 7.341 1.00 0.00 O ATOM 0 H TYR A 92 -4.515 -1.749 3.215 1.00 0.00 H new ATOM 0 HA TYR A 92 -5.423 -2.460 5.897 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -5.691 -4.196 3.526 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -4.746 -4.932 4.805 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -5.774 -5.419 7.007 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -8.078 -3.744 3.827 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -7.845 -6.013 8.195 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -10.150 -4.336 5.013 1.00 0.00 H new ATOM 0 HH TYR A 92 -11.054 -5.259 6.812 1.00 0.00 H new ATOM 250 N ARG A 93 -3.056 -3.754 6.165 1.00 0.00 N ATOM 251 CA ARG A 93 -1.648 -3.947 6.492 1.00 0.00 C ATOM 252 C ARG A 93 -1.313 -5.431 6.586 1.00 0.00 C ATOM 253 O ARG A 93 -0.295 -5.884 6.061 1.00 0.00 O ATOM 254 CB ARG A 93 -1.303 -3.255 7.812 1.00 0.00 C ATOM 255 CG ARG A 93 -1.816 -1.827 7.904 1.00 0.00 C ATOM 256 CD ARG A 93 -0.684 -0.839 8.135 1.00 0.00 C ATOM 257 NE ARG A 93 -0.898 -0.032 9.332 1.00 0.00 N ATOM 258 CZ ARG A 93 -0.122 0.990 9.678 1.00 0.00 C ATOM 259 NH1 ARG A 93 0.911 1.328 8.919 1.00 0.00 N ATOM 260 NH2 ARG A 93 -0.380 1.674 10.784 1.00 0.00 N ATOM 0 H ARG A 93 -3.698 -4.323 6.716 1.00 0.00 H new ATOM 0 HA ARG A 93 -1.054 -3.503 5.693 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -1.719 -3.835 8.636 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -0.220 -3.252 7.939 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -2.343 -1.569 6.985 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -2.538 -1.751 8.717 1.00 0.00 H new ATOM 0 HD2 ARG A 93 0.257 -1.381 8.227 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -0.592 -0.184 7.268 1.00 0.00 H new ATOM 0 HE ARG A 93 -1.686 -0.265 9.936 1.00 0.00 H new ATOM 0 HH11 ARG A 93 1.112 0.803 8.068 1.00 0.00 H new ATOM 0 HH12 ARG A 93 1.505 2.113 9.186 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -1.174 1.416 11.370 1.00 0.00 H new ATOM 0 HH22 ARG A 93 0.216 2.458 11.049 1.00 0.00 H new ATOM 274 N THR A 94 -2.179 -6.184 7.257 1.00 0.00 N ATOM 275 CA THR A 94 -1.978 -7.619 7.420 1.00 0.00 C ATOM 276 C THR A 94 -3.091 -8.404 6.736 1.00 0.00 C ATOM 277 O THR A 94 -4.202 -8.507 7.255 1.00 0.00 O ATOM 278 CB THR A 94 -1.920 -7.982 8.904 1.00 0.00 C ATOM 279 OG1 THR A 94 -3.050 -7.474 9.589 1.00 0.00 O ATOM 280 CG2 THR A 94 -0.685 -7.456 9.602 1.00 0.00 C ATOM 0 H THR A 94 -3.026 -5.824 7.696 1.00 0.00 H new ATOM 0 HA THR A 94 -1.030 -7.884 6.952 1.00 0.00 H new ATOM 0 HB THR A 94 -1.897 -9.071 8.933 1.00 0.00 H new ATOM 0 HG1 THR A 94 -3.862 -7.689 9.085 1.00 0.00 H new ATOM 0 HG21 THR A 94 -0.708 -7.749 10.652 1.00 0.00 H new ATOM 0 HG22 THR A 94 0.205 -7.870 9.128 1.00 0.00 H new ATOM 0 HG23 THR A 94 -0.661 -6.369 9.530 1.00 0.00 H new ATOM 288 N PRO A 95 -2.803 -8.968 5.555 1.00 0.00 N ATOM 289 CA PRO A 95 -3.776 -9.750 4.789 1.00 0.00 C ATOM 290 C PRO A 95 -3.994 -11.139 5.379 1.00 0.00 C ATOM 291 O PRO A 95 -3.925 -12.144 4.670 1.00 0.00 O ATOM 292 CB PRO A 95 -3.128 -9.851 3.410 1.00 0.00 C ATOM 293 CG PRO A 95 -1.665 -9.800 3.686 1.00 0.00 C ATOM 294 CD PRO A 95 -1.497 -8.888 4.873 1.00 0.00 C ATOM 0 HA PRO A 95 -4.763 -9.288 4.782 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -3.406 -10.777 2.907 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -3.440 -9.031 2.763 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -1.274 -10.795 3.900 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -1.118 -9.421 2.823 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -0.685 -9.218 5.521 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -1.266 -7.868 4.566 1.00 0.00 H new ATOM 302 N SER A 96 -4.256 -11.186 6.679 1.00 0.00 N ATOM 303 CA SER A 96 -4.483 -12.448 7.374 1.00 0.00 C ATOM 304 C SER A 96 -4.214 -12.297 8.869 1.00 0.00 C ATOM 305 O SER A 96 -3.122 -11.903 9.275 1.00 0.00 O ATOM 306 CB SER A 96 -3.588 -13.544 6.793 1.00 0.00 C ATOM 307 OG SER A 96 -4.283 -14.312 5.825 1.00 0.00 O ATOM 0 H SER A 96 -4.317 -10.361 7.276 1.00 0.00 H new ATOM 0 HA SER A 96 -5.527 -12.730 7.234 1.00 0.00 H new ATOM 0 HB2 SER A 96 -2.705 -13.094 6.339 1.00 0.00 H new ATOM 0 HB3 SER A 96 -3.238 -14.194 7.594 1.00 0.00 H new ATOM 0 HG SER A 96 -4.385 -13.788 5.003 1.00 0.00 H new ATOM 313 N PRO A 97 -5.213 -12.611 9.706 1.00 0.00 N ATOM 314 CA PRO A 97 -5.087 -12.510 11.163 1.00 0.00 C ATOM 315 C PRO A 97 -3.823 -13.189 11.683 1.00 0.00 C ATOM 316 O PRO A 97 -3.364 -12.904 12.789 1.00 0.00 O ATOM 317 CB PRO A 97 -6.333 -13.233 11.675 1.00 0.00 C ATOM 318 CG PRO A 97 -7.331 -13.082 10.580 1.00 0.00 C ATOM 319 CD PRO A 97 -6.546 -13.090 9.297 1.00 0.00 C ATOM 0 HA PRO A 97 -5.011 -11.475 11.497 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -6.126 -14.283 11.880 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -6.694 -12.792 12.604 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -8.056 -13.896 10.598 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -7.891 -12.153 10.688 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -6.498 -14.088 8.862 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -6.995 -12.437 8.548 1.00 0.00 H new ATOM 327 N ASP A 98 -3.266 -14.086 10.876 1.00 0.00 N ATOM 328 CA ASP A 98 -2.055 -14.805 11.254 1.00 0.00 C ATOM 329 C ASP A 98 -1.054 -14.822 10.103 1.00 0.00 C ATOM 330 O ASP A 98 -0.646 -15.886 9.638 1.00 0.00 O ATOM 331 CB ASP A 98 -2.395 -16.237 11.671 1.00 0.00 C ATOM 332 CG ASP A 98 -3.439 -16.868 10.772 1.00 0.00 C ATOM 333 OD1 ASP A 98 -4.611 -16.440 10.830 1.00 0.00 O ATOM 334 OD2 ASP A 98 -3.085 -17.792 10.010 1.00 0.00 O ATOM 0 H ASP A 98 -3.634 -14.332 9.957 1.00 0.00 H new ATOM 0 HA ASP A 98 -1.603 -14.287 12.100 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -1.489 -16.843 11.652 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -2.757 -16.237 12.699 1.00 0.00 H new ATOM 339 N ALA A 99 -0.663 -13.636 9.650 1.00 0.00 N ATOM 340 CA ALA A 99 0.290 -13.514 8.552 1.00 0.00 C ATOM 341 C ALA A 99 1.572 -12.830 9.014 1.00 0.00 C ATOM 342 O ALA A 99 1.846 -12.744 10.211 1.00 0.00 O ATOM 343 CB ALA A 99 -0.334 -12.746 7.397 1.00 0.00 C ATOM 0 H ALA A 99 -0.991 -12.746 10.025 1.00 0.00 H new ATOM 0 HA ALA A 99 0.547 -14.517 8.211 1.00 0.00 H new ATOM 0 HB1 ALA A 99 0.387 -12.662 6.584 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -1.219 -13.276 7.044 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -0.618 -11.749 7.734 1.00 0.00 H new ATOM 349 N LYS A 100 2.356 -12.345 8.056 1.00 0.00 N ATOM 350 CA LYS A 100 3.611 -11.669 8.364 1.00 0.00 C ATOM 351 C LYS A 100 3.521 -10.180 8.041 1.00 0.00 C ATOM 352 O LYS A 100 4.537 -9.514 7.846 1.00 0.00 O ATOM 353 CB LYS A 100 4.762 -12.304 7.582 1.00 0.00 C ATOM 354 CG LYS A 100 4.527 -12.348 6.082 1.00 0.00 C ATOM 355 CD LYS A 100 5.708 -11.776 5.316 1.00 0.00 C ATOM 356 CE LYS A 100 6.074 -12.646 4.124 1.00 0.00 C ATOM 357 NZ LYS A 100 7.210 -13.559 4.429 1.00 0.00 N ATOM 0 H LYS A 100 2.144 -12.408 7.060 1.00 0.00 H new ATOM 0 HA LYS A 100 3.802 -11.780 9.431 1.00 0.00 H new ATOM 0 HB2 LYS A 100 5.677 -11.746 7.782 1.00 0.00 H new ATOM 0 HB3 LYS A 100 4.921 -13.319 7.946 1.00 0.00 H new ATOM 0 HG2 LYS A 100 4.354 -13.378 5.770 1.00 0.00 H new ATOM 0 HG3 LYS A 100 3.626 -11.785 5.837 1.00 0.00 H new ATOM 0 HD2 LYS A 100 5.467 -10.770 4.973 1.00 0.00 H new ATOM 0 HD3 LYS A 100 6.567 -11.689 5.982 1.00 0.00 H new ATOM 0 HE2 LYS A 100 5.207 -13.234 3.824 1.00 0.00 H new ATOM 0 HE3 LYS A 100 6.336 -12.011 3.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 7.428 -14.134 3.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 8.046 -12.998 4.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 6.951 -14.183 5.219 1.00 0.00 H new ATOM 371 N ALA A 101 2.296 -9.665 7.989 1.00 0.00 N ATOM 372 CA ALA A 101 2.070 -8.256 7.692 1.00 0.00 C ATOM 373 C ALA A 101 2.691 -7.868 6.354 1.00 0.00 C ATOM 374 O ALA A 101 3.882 -8.083 6.125 1.00 0.00 O ATOM 375 CB ALA A 101 2.630 -7.386 8.808 1.00 0.00 C ATOM 0 H ALA A 101 1.445 -10.204 8.149 1.00 0.00 H new ATOM 0 HA ALA A 101 0.994 -8.093 7.623 1.00 0.00 H new ATOM 0 HB1 ALA A 101 2.455 -6.336 8.574 1.00 0.00 H new ATOM 0 HB2 ALA A 101 2.136 -7.636 9.747 1.00 0.00 H new ATOM 0 HB3 ALA A 101 3.701 -7.562 8.904 1.00 0.00 H new ATOM 381 N PHE A 102 1.877 -7.295 5.475 1.00 0.00 N ATOM 382 CA PHE A 102 2.345 -6.875 4.159 1.00 0.00 C ATOM 383 C PHE A 102 3.558 -5.957 4.281 1.00 0.00 C ATOM 384 O PHE A 102 4.188 -5.883 5.335 1.00 0.00 O ATOM 385 CB PHE A 102 1.224 -6.162 3.401 1.00 0.00 C ATOM 386 CG PHE A 102 0.684 -6.951 2.242 1.00 0.00 C ATOM 387 CD1 PHE A 102 1.542 -7.475 1.281 1.00 0.00 C ATOM 388 CD2 PHE A 102 -0.683 -7.169 2.111 1.00 0.00 C ATOM 389 CE1 PHE A 102 1.045 -8.202 0.210 1.00 0.00 C ATOM 390 CE2 PHE A 102 -1.186 -7.896 1.042 1.00 0.00 C ATOM 391 CZ PHE A 102 -0.320 -8.412 0.091 1.00 0.00 C ATOM 0 H PHE A 102 0.889 -7.110 5.650 1.00 0.00 H new ATOM 0 HA PHE A 102 2.641 -7.765 3.603 1.00 0.00 H new ATOM 0 HB2 PHE A 102 0.410 -5.945 4.093 1.00 0.00 H new ATOM 0 HB3 PHE A 102 1.596 -5.204 3.036 1.00 0.00 H new ATOM 0 HD1 PHE A 102 2.606 -7.314 1.370 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -1.361 -6.768 2.850 1.00 0.00 H new ATOM 0 HE1 PHE A 102 1.721 -8.604 -0.531 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -2.250 -8.059 0.951 1.00 0.00 H new ATOM 0 HZ PHE A 102 -0.709 -8.978 -0.743 1.00 0.00 H new ATOM 401 N ILE A 103 3.881 -5.260 3.195 1.00 0.00 N ATOM 402 CA ILE A 103 5.018 -4.348 3.184 1.00 0.00 C ATOM 403 C ILE A 103 4.755 -3.130 4.065 1.00 0.00 C ATOM 404 O ILE A 103 4.645 -2.007 3.573 1.00 0.00 O ATOM 405 CB ILE A 103 5.342 -3.871 1.755 1.00 0.00 C ATOM 406 CG1 ILE A 103 5.329 -5.053 0.784 1.00 0.00 C ATOM 407 CG2 ILE A 103 6.691 -3.168 1.725 1.00 0.00 C ATOM 408 CD1 ILE A 103 5.985 -6.299 1.338 1.00 0.00 C ATOM 0 H ILE A 103 3.371 -5.310 2.313 1.00 0.00 H new ATOM 0 HA ILE A 103 5.870 -4.902 3.577 1.00 0.00 H new ATOM 0 HB ILE A 103 4.577 -3.160 1.442 1.00 0.00 H new ATOM 0 HG12 ILE A 103 4.297 -5.283 0.519 1.00 0.00 H new ATOM 0 HG13 ILE A 103 5.838 -4.763 -0.135 1.00 0.00 H new ATOM 0 HG21 ILE A 103 6.906 -2.837 0.709 1.00 0.00 H new ATOM 0 HG22 ILE A 103 6.666 -2.305 2.391 1.00 0.00 H new ATOM 0 HG23 ILE A 103 7.468 -3.858 2.054 1.00 0.00 H new ATOM 0 HD11 ILE A 103 5.939 -7.095 0.595 1.00 0.00 H new ATOM 0 HD12 ILE A 103 7.027 -6.086 1.577 1.00 0.00 H new ATOM 0 HD13 ILE A 103 5.463 -6.614 2.241 1.00 0.00 H new ATOM 420 N GLU A 104 4.655 -3.362 5.370 1.00 0.00 N ATOM 421 CA GLU A 104 4.406 -2.285 6.321 1.00 0.00 C ATOM 422 C GLU A 104 5.607 -1.350 6.417 1.00 0.00 C ATOM 423 O GLU A 104 6.561 -1.468 5.647 1.00 0.00 O ATOM 424 CB GLU A 104 4.082 -2.858 7.698 1.00 0.00 C ATOM 425 CG GLU A 104 2.940 -3.860 7.688 1.00 0.00 C ATOM 426 CD GLU A 104 2.256 -3.978 9.037 1.00 0.00 C ATOM 427 OE1 GLU A 104 2.880 -3.605 10.052 1.00 0.00 O ATOM 428 OE2 GLU A 104 1.097 -4.442 9.076 1.00 0.00 O ATOM 0 H GLU A 104 4.743 -4.286 5.793 1.00 0.00 H new ATOM 0 HA GLU A 104 3.551 -1.711 5.962 1.00 0.00 H new ATOM 0 HB2 GLU A 104 4.973 -3.340 8.100 1.00 0.00 H new ATOM 0 HB3 GLU A 104 3.830 -2.040 8.372 1.00 0.00 H new ATOM 0 HG2 GLU A 104 2.207 -3.563 6.938 1.00 0.00 H new ATOM 0 HG3 GLU A 104 3.321 -4.837 7.391 1.00 0.00 H new ATOM 435 N VAL A 105 5.553 -0.424 7.368 1.00 0.00 N ATOM 436 CA VAL A 105 6.636 0.532 7.567 1.00 0.00 C ATOM 437 C VAL A 105 7.915 -0.170 8.010 1.00 0.00 C ATOM 438 O VAL A 105 7.870 -1.167 8.731 1.00 0.00 O ATOM 439 CB VAL A 105 6.261 1.597 8.615 1.00 0.00 C ATOM 440 CG1 VAL A 105 7.103 2.850 8.427 1.00 0.00 C ATOM 441 CG2 VAL A 105 4.778 1.926 8.536 1.00 0.00 C ATOM 0 H VAL A 105 4.771 -0.315 8.013 1.00 0.00 H new ATOM 0 HA VAL A 105 6.805 1.020 6.607 1.00 0.00 H new ATOM 0 HB VAL A 105 6.467 1.193 9.606 1.00 0.00 H new ATOM 0 HG11 VAL A 105 6.824 3.591 9.176 1.00 0.00 H new ATOM 0 HG12 VAL A 105 8.158 2.600 8.539 1.00 0.00 H new ATOM 0 HG13 VAL A 105 6.931 3.258 7.431 1.00 0.00 H new ATOM 0 HG21 VAL A 105 4.532 2.680 9.284 1.00 0.00 H new ATOM 0 HG22 VAL A 105 4.543 2.309 7.543 1.00 0.00 H new ATOM 0 HG23 VAL A 105 4.195 1.025 8.724 1.00 0.00 H new ATOM 451 N GLY A 106 9.054 0.358 7.576 1.00 0.00 N ATOM 452 CA GLY A 106 10.331 -0.231 7.938 1.00 0.00 C ATOM 453 C GLY A 106 10.699 -1.408 7.058 1.00 0.00 C ATOM 454 O GLY A 106 11.838 -1.875 7.080 1.00 0.00 O ATOM 0 H GLY A 106 9.116 1.183 6.980 1.00 0.00 H new ATOM 0 HA2 GLY A 106 11.110 0.528 7.868 1.00 0.00 H new ATOM 0 HA3 GLY A 106 10.295 -0.556 8.978 1.00 0.00 H new ATOM 458 N GLN A 107 9.734 -1.891 6.283 1.00 0.00 N ATOM 459 CA GLN A 107 9.963 -3.022 5.391 1.00 0.00 C ATOM 460 C GLN A 107 10.514 -2.541 4.048 1.00 0.00 C ATOM 461 O GLN A 107 10.228 -1.423 3.620 1.00 0.00 O ATOM 462 CB GLN A 107 8.657 -3.795 5.178 1.00 0.00 C ATOM 463 CG GLN A 107 8.821 -5.307 5.193 1.00 0.00 C ATOM 464 CD GLN A 107 9.802 -5.801 4.148 1.00 0.00 C ATOM 465 OE1 GLN A 107 10.939 -6.155 4.465 1.00 0.00 O ATOM 466 NE2 GLN A 107 9.368 -5.826 2.894 1.00 0.00 N ATOM 0 H GLN A 107 8.786 -1.517 6.254 1.00 0.00 H new ATOM 0 HA GLN A 107 10.697 -3.684 5.850 1.00 0.00 H new ATOM 0 HB2 GLN A 107 7.948 -3.510 5.955 1.00 0.00 H new ATOM 0 HB3 GLN A 107 8.222 -3.497 4.224 1.00 0.00 H new ATOM 0 HG2 GLN A 107 9.159 -5.622 6.180 1.00 0.00 H new ATOM 0 HG3 GLN A 107 7.851 -5.775 5.024 1.00 0.00 H new ATOM 0 HE21 GLN A 107 8.418 -5.524 2.677 1.00 0.00 H new ATOM 0 HE22 GLN A 107 9.984 -6.148 2.147 1.00 0.00 H new ATOM 475 N LYS A 108 11.306 -3.383 3.385 1.00 0.00 N ATOM 476 CA LYS A 108 11.887 -3.024 2.096 1.00 0.00 C ATOM 477 C LYS A 108 11.163 -3.730 0.954 1.00 0.00 C ATOM 478 O LYS A 108 10.701 -4.861 1.103 1.00 0.00 O ATOM 479 CB LYS A 108 13.375 -3.379 2.067 1.00 0.00 C ATOM 480 CG LYS A 108 14.030 -3.144 0.716 1.00 0.00 C ATOM 481 CD LYS A 108 14.979 -1.957 0.757 1.00 0.00 C ATOM 482 CE LYS A 108 15.638 -1.725 -0.594 1.00 0.00 C ATOM 483 NZ LYS A 108 16.231 -0.363 -0.696 1.00 0.00 N ATOM 0 H LYS A 108 11.558 -4.313 3.719 1.00 0.00 H new ATOM 0 HA LYS A 108 11.773 -1.948 1.963 1.00 0.00 H new ATOM 0 HB2 LYS A 108 13.896 -2.789 2.821 1.00 0.00 H new ATOM 0 HB3 LYS A 108 13.496 -4.427 2.343 1.00 0.00 H new ATOM 0 HG2 LYS A 108 14.576 -4.038 0.415 1.00 0.00 H new ATOM 0 HG3 LYS A 108 13.261 -2.971 -0.037 1.00 0.00 H new ATOM 0 HD2 LYS A 108 14.432 -1.062 1.055 1.00 0.00 H new ATOM 0 HD3 LYS A 108 15.746 -2.128 1.513 1.00 0.00 H new ATOM 0 HE2 LYS A 108 16.416 -2.472 -0.752 1.00 0.00 H new ATOM 0 HE3 LYS A 108 14.901 -1.860 -1.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 16.175 -0.033 -1.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 15.706 0.291 -0.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 17.227 -0.395 -0.397 1.00 0.00 H new ATOM 497 N VAL A 109 11.069 -3.054 -0.186 1.00 0.00 N ATOM 498 CA VAL A 109 10.401 -3.614 -1.354 1.00 0.00 C ATOM 499 C VAL A 109 11.316 -3.595 -2.573 1.00 0.00 C ATOM 500 O VAL A 109 12.411 -3.031 -2.530 1.00 0.00 O ATOM 501 CB VAL A 109 9.109 -2.845 -1.686 1.00 0.00 C ATOM 502 CG1 VAL A 109 7.894 -3.578 -1.140 1.00 0.00 C ATOM 503 CG2 VAL A 109 9.177 -1.428 -1.138 1.00 0.00 C ATOM 0 H VAL A 109 11.447 -2.117 -0.326 1.00 0.00 H new ATOM 0 HA VAL A 109 10.148 -4.645 -1.108 1.00 0.00 H new ATOM 0 HB VAL A 109 9.011 -2.787 -2.770 1.00 0.00 H new ATOM 0 HG11 VAL A 109 6.991 -3.019 -1.385 1.00 0.00 H new ATOM 0 HG12 VAL A 109 7.838 -4.571 -1.586 1.00 0.00 H new ATOM 0 HG13 VAL A 109 7.981 -3.670 -0.057 1.00 0.00 H new ATOM 0 HG21 VAL A 109 8.256 -0.899 -1.382 1.00 0.00 H new ATOM 0 HG22 VAL A 109 9.300 -1.462 -0.056 1.00 0.00 H new ATOM 0 HG23 VAL A 109 10.024 -0.906 -1.583 1.00 0.00 H new ATOM 513 N ASN A 110 10.862 -4.212 -3.659 1.00 0.00 N ATOM 514 CA ASN A 110 11.641 -4.264 -4.890 1.00 0.00 C ATOM 515 C ASN A 110 10.728 -4.361 -6.108 1.00 0.00 C ATOM 516 O ASN A 110 9.669 -4.987 -6.054 1.00 0.00 O ATOM 517 CB ASN A 110 12.601 -5.455 -4.862 1.00 0.00 C ATOM 518 CG ASN A 110 12.065 -6.611 -4.040 1.00 0.00 C ATOM 519 OD1 ASN A 110 11.328 -7.457 -4.544 1.00 0.00 O ATOM 520 ND2 ASN A 110 12.433 -6.650 -2.765 1.00 0.00 N ATOM 0 H ASN A 110 9.959 -4.683 -3.711 1.00 0.00 H new ATOM 0 HA ASN A 110 12.219 -3.343 -4.963 1.00 0.00 H new ATOM 0 HB2 ASN A 110 12.786 -5.793 -5.882 1.00 0.00 H new ATOM 0 HB3 ASN A 110 13.560 -5.136 -4.453 1.00 0.00 H new ATOM 0 HD21 ASN A 110 12.103 -7.403 -2.162 1.00 0.00 H new ATOM 0 HD22 ASN A 110 13.046 -5.927 -2.389 1.00 0.00 H new ATOM 527 N VAL A 111 11.145 -3.738 -7.206 1.00 0.00 N ATOM 528 CA VAL A 111 10.366 -3.754 -8.437 1.00 0.00 C ATOM 529 C VAL A 111 9.894 -5.165 -8.770 1.00 0.00 C ATOM 530 O VAL A 111 10.619 -5.942 -9.391 1.00 0.00 O ATOM 531 CB VAL A 111 11.178 -3.204 -9.624 1.00 0.00 C ATOM 532 CG1 VAL A 111 10.376 -3.299 -10.911 1.00 0.00 C ATOM 533 CG2 VAL A 111 11.606 -1.769 -9.357 1.00 0.00 C ATOM 0 H VAL A 111 12.019 -3.216 -7.267 1.00 0.00 H new ATOM 0 HA VAL A 111 9.500 -3.113 -8.271 1.00 0.00 H new ATOM 0 HB VAL A 111 12.076 -3.811 -9.739 1.00 0.00 H new ATOM 0 HG11 VAL A 111 10.967 -2.905 -11.738 1.00 0.00 H new ATOM 0 HG12 VAL A 111 10.126 -4.342 -11.108 1.00 0.00 H new ATOM 0 HG13 VAL A 111 9.459 -2.718 -10.812 1.00 0.00 H new ATOM 0 HG21 VAL A 111 12.179 -1.396 -10.206 1.00 0.00 H new ATOM 0 HG22 VAL A 111 10.723 -1.147 -9.214 1.00 0.00 H new ATOM 0 HG23 VAL A 111 12.224 -1.735 -8.460 1.00 0.00 H new ATOM 543 N GLY A 112 8.675 -5.490 -8.352 1.00 0.00 N ATOM 544 CA GLY A 112 8.128 -6.807 -8.615 1.00 0.00 C ATOM 545 C GLY A 112 7.495 -7.429 -7.385 1.00 0.00 C ATOM 546 O GLY A 112 6.709 -8.370 -7.493 1.00 0.00 O ATOM 0 H GLY A 112 8.057 -4.864 -7.836 1.00 0.00 H new ATOM 0 HA2 GLY A 112 7.382 -6.736 -9.407 1.00 0.00 H new ATOM 0 HA3 GLY A 112 8.921 -7.460 -8.981 1.00 0.00 H new ATOM 550 N ASP A 113 7.839 -6.903 -6.215 1.00 0.00 N ATOM 551 CA ASP A 113 7.299 -7.412 -4.960 1.00 0.00 C ATOM 552 C ASP A 113 5.905 -6.851 -4.696 1.00 0.00 C ATOM 553 O ASP A 113 5.548 -5.786 -5.200 1.00 0.00 O ATOM 554 CB ASP A 113 8.230 -7.063 -3.799 1.00 0.00 C ATOM 555 CG ASP A 113 8.904 -8.286 -3.210 1.00 0.00 C ATOM 556 OD1 ASP A 113 9.220 -9.218 -3.979 1.00 0.00 O ATOM 557 OD2 ASP A 113 9.117 -8.311 -1.980 1.00 0.00 O ATOM 0 H ASP A 113 8.489 -6.124 -6.109 1.00 0.00 H new ATOM 0 HA ASP A 113 7.224 -8.496 -5.042 1.00 0.00 H new ATOM 0 HB2 ASP A 113 8.991 -6.364 -4.145 1.00 0.00 H new ATOM 0 HB3 ASP A 113 7.661 -6.555 -3.021 1.00 0.00 H new ATOM 562 N THR A 114 5.123 -7.575 -3.903 1.00 0.00 N ATOM 563 CA THR A 114 3.767 -7.150 -3.571 1.00 0.00 C ATOM 564 C THR A 114 3.783 -5.865 -2.749 1.00 0.00 C ATOM 565 O THR A 114 4.846 -5.337 -2.423 1.00 0.00 O ATOM 566 CB THR A 114 3.040 -8.253 -2.800 1.00 0.00 C ATOM 567 OG1 THR A 114 3.445 -9.531 -3.254 1.00 0.00 O ATOM 568 CG2 THR A 114 1.533 -8.177 -2.926 1.00 0.00 C ATOM 0 H THR A 114 5.404 -8.459 -3.478 1.00 0.00 H new ATOM 0 HA THR A 114 3.236 -6.956 -4.503 1.00 0.00 H new ATOM 0 HB THR A 114 3.309 -8.102 -1.755 1.00 0.00 H new ATOM 0 HG1 THR A 114 2.971 -10.223 -2.748 1.00 0.00 H new ATOM 0 HG21 THR A 114 1.079 -8.987 -2.356 1.00 0.00 H new ATOM 0 HG22 THR A 114 1.183 -7.220 -2.538 1.00 0.00 H new ATOM 0 HG23 THR A 114 1.250 -8.269 -3.975 1.00 0.00 H new ATOM 576 N LEU A 115 2.596 -5.368 -2.418 1.00 0.00 N ATOM 577 CA LEU A 115 2.471 -4.146 -1.634 1.00 0.00 C ATOM 578 C LEU A 115 1.432 -4.312 -0.530 1.00 0.00 C ATOM 579 O LEU A 115 1.775 -4.421 0.648 1.00 0.00 O ATOM 580 CB LEU A 115 2.086 -2.971 -2.538 1.00 0.00 C ATOM 581 CG LEU A 115 2.155 -1.595 -1.875 1.00 0.00 C ATOM 582 CD1 LEU A 115 3.515 -0.956 -2.109 1.00 0.00 C ATOM 583 CD2 LEU A 115 1.044 -0.696 -2.397 1.00 0.00 C ATOM 0 H LEU A 115 1.707 -5.793 -2.681 1.00 0.00 H new ATOM 0 HA LEU A 115 3.437 -3.940 -1.173 1.00 0.00 H new ATOM 0 HB2 LEU A 115 2.742 -2.972 -3.408 1.00 0.00 H new ATOM 0 HB3 LEU A 115 1.072 -3.131 -2.904 1.00 0.00 H new ATOM 0 HG LEU A 115 2.018 -1.723 -0.801 1.00 0.00 H new ATOM 0 HD11 LEU A 115 3.545 0.022 -1.630 1.00 0.00 H new ATOM 0 HD12 LEU A 115 4.293 -1.591 -1.686 1.00 0.00 H new ATOM 0 HD13 LEU A 115 3.683 -0.841 -3.180 1.00 0.00 H new ATOM 0 HD21 LEU A 115 1.108 0.279 -1.914 1.00 0.00 H new ATOM 0 HD22 LEU A 115 1.150 -0.575 -3.475 1.00 0.00 H new ATOM 0 HD23 LEU A 115 0.077 -1.147 -2.176 1.00 0.00 H new ATOM 595 N CYS A 116 0.161 -4.333 -0.919 1.00 0.00 N ATOM 596 CA CYS A 116 -0.930 -4.488 0.038 1.00 0.00 C ATOM 597 C CYS A 116 -2.269 -4.615 -0.679 1.00 0.00 C ATOM 598 O CYS A 116 -2.440 -4.111 -1.789 1.00 0.00 O ATOM 599 CB CYS A 116 -0.968 -3.302 1.002 1.00 0.00 C ATOM 600 SG CYS A 116 -0.343 -3.674 2.657 1.00 0.00 S ATOM 0 H CYS A 116 -0.139 -4.245 -1.890 1.00 0.00 H new ATOM 0 HA CYS A 116 -0.752 -5.402 0.605 1.00 0.00 H new ATOM 0 HB2 CYS A 116 -0.382 -2.486 0.579 1.00 0.00 H new ATOM 0 HB3 CYS A 116 -1.996 -2.948 1.085 1.00 0.00 H new ATOM 0 HG CYS A 116 -1.154 -3.185 3.547 1.00 0.00 H new ATOM 606 N ILE A 117 -3.217 -5.288 -0.034 1.00 0.00 N ATOM 607 CA ILE A 117 -4.544 -5.479 -0.606 1.00 0.00 C ATOM 608 C ILE A 117 -5.328 -4.169 -0.619 1.00 0.00 C ATOM 609 O ILE A 117 -5.534 -3.547 0.423 1.00 0.00 O ATOM 610 CB ILE A 117 -5.346 -6.548 0.174 1.00 0.00 C ATOM 611 CG1 ILE A 117 -4.843 -7.949 -0.173 1.00 0.00 C ATOM 612 CG2 ILE A 117 -6.835 -6.434 -0.127 1.00 0.00 C ATOM 613 CD1 ILE A 117 -4.913 -8.922 0.985 1.00 0.00 C ATOM 0 H ILE A 117 -3.090 -5.710 0.886 1.00 0.00 H new ATOM 0 HA ILE A 117 -4.404 -5.823 -1.631 1.00 0.00 H new ATOM 0 HB ILE A 117 -5.197 -6.375 1.240 1.00 0.00 H new ATOM 0 HG12 ILE A 117 -5.431 -8.342 -1.003 1.00 0.00 H new ATOM 0 HG13 ILE A 117 -3.811 -7.881 -0.517 1.00 0.00 H new ATOM 0 HG21 ILE A 117 -7.379 -7.195 0.432 1.00 0.00 H new ATOM 0 HG22 ILE A 117 -7.191 -5.446 0.165 1.00 0.00 H new ATOM 0 HG23 ILE A 117 -7.003 -6.579 -1.194 1.00 0.00 H new ATOM 0 HD11 ILE A 117 -4.540 -9.895 0.666 1.00 0.00 H new ATOM 0 HD12 ILE A 117 -4.302 -8.552 1.809 1.00 0.00 H new ATOM 0 HD13 ILE A 117 -5.947 -9.020 1.316 1.00 0.00 H new ATOM 625 N VAL A 118 -5.769 -3.761 -1.804 1.00 0.00 N ATOM 626 CA VAL A 118 -6.537 -2.532 -1.951 1.00 0.00 C ATOM 627 C VAL A 118 -7.994 -2.759 -1.565 1.00 0.00 C ATOM 628 O VAL A 118 -8.743 -1.810 -1.336 1.00 0.00 O ATOM 629 CB VAL A 118 -6.479 -1.997 -3.395 1.00 0.00 C ATOM 630 CG1 VAL A 118 -6.942 -0.551 -3.449 1.00 0.00 C ATOM 631 CG2 VAL A 118 -5.073 -2.136 -3.960 1.00 0.00 C ATOM 0 H VAL A 118 -5.607 -4.264 -2.676 1.00 0.00 H new ATOM 0 HA VAL A 118 -6.090 -1.794 -1.285 1.00 0.00 H new ATOM 0 HB VAL A 118 -7.154 -2.592 -4.010 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -6.894 -0.192 -4.477 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -7.969 -0.484 -3.089 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -6.296 0.062 -2.820 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -5.051 -1.753 -4.980 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -4.376 -1.568 -3.344 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -4.783 -3.187 -3.961 1.00 0.00 H new ATOM 641 N GLU A 119 -8.385 -4.027 -1.496 1.00 0.00 N ATOM 642 CA GLU A 119 -9.750 -4.391 -1.138 1.00 0.00 C ATOM 643 C GLU A 119 -10.751 -3.422 -1.760 1.00 0.00 C ATOM 644 O GLU A 119 -11.751 -3.062 -1.139 1.00 0.00 O ATOM 645 CB GLU A 119 -9.913 -4.411 0.385 1.00 0.00 C ATOM 646 CG GLU A 119 -11.283 -4.879 0.855 1.00 0.00 C ATOM 647 CD GLU A 119 -11.309 -5.203 2.337 1.00 0.00 C ATOM 648 OE1 GLU A 119 -10.343 -5.827 2.825 1.00 0.00 O ATOM 649 OE2 GLU A 119 -12.293 -4.831 3.008 1.00 0.00 O ATOM 0 H GLU A 119 -7.774 -4.821 -1.684 1.00 0.00 H new ATOM 0 HA GLU A 119 -9.949 -5.389 -1.528 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -9.151 -5.063 0.813 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -9.730 -3.409 0.773 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -12.020 -4.105 0.643 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -11.576 -5.763 0.288 1.00 0.00 H new ATOM 656 N ALA A 120 -10.478 -3.006 -2.991 1.00 0.00 N ATOM 657 CA ALA A 120 -11.358 -2.084 -3.697 1.00 0.00 C ATOM 658 C ALA A 120 -12.571 -2.816 -4.256 1.00 0.00 C ATOM 659 O ALA A 120 -12.573 -3.240 -5.411 1.00 0.00 O ATOM 660 CB ALA A 120 -10.601 -1.380 -4.812 1.00 0.00 C ATOM 0 H ALA A 120 -9.655 -3.293 -3.520 1.00 0.00 H new ATOM 0 HA ALA A 120 -11.710 -1.335 -2.988 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -11.271 -0.694 -5.330 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -9.767 -0.821 -4.389 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -10.222 -2.119 -5.517 1.00 0.00 H new ATOM 666 N MET A 121 -13.597 -2.967 -3.424 1.00 0.00 N ATOM 667 CA MET A 121 -14.821 -3.656 -3.823 1.00 0.00 C ATOM 668 C MET A 121 -14.700 -5.155 -3.567 1.00 0.00 C ATOM 669 O MET A 121 -15.323 -5.965 -4.253 1.00 0.00 O ATOM 670 CB MET A 121 -15.131 -3.386 -5.303 1.00 0.00 C ATOM 671 CG MET A 121 -14.654 -4.480 -6.250 1.00 0.00 C ATOM 672 SD MET A 121 -14.295 -3.858 -7.904 1.00 0.00 S ATOM 673 CE MET A 121 -13.972 -5.388 -8.778 1.00 0.00 C ATOM 0 H MET A 121 -13.605 -2.620 -2.465 1.00 0.00 H new ATOM 0 HA MET A 121 -15.645 -3.271 -3.222 1.00 0.00 H new ATOM 0 HB2 MET A 121 -16.208 -3.263 -5.421 1.00 0.00 H new ATOM 0 HB3 MET A 121 -14.669 -2.443 -5.593 1.00 0.00 H new ATOM 0 HG2 MET A 121 -13.759 -4.946 -5.839 1.00 0.00 H new ATOM 0 HG3 MET A 121 -15.416 -5.256 -6.315 1.00 0.00 H new ATOM 0 HE1 MET A 121 -14.050 -5.217 -9.852 1.00 0.00 H new ATOM 0 HE2 MET A 121 -12.968 -5.739 -8.538 1.00 0.00 H new ATOM 0 HE3 MET A 121 -14.701 -6.140 -8.477 1.00 0.00 H new ATOM 683 N LYS A 122 -13.887 -5.516 -2.579 1.00 0.00 N ATOM 684 CA LYS A 122 -13.677 -6.916 -2.236 1.00 0.00 C ATOM 685 C LYS A 122 -13.101 -7.676 -3.424 1.00 0.00 C ATOM 686 O LYS A 122 -13.599 -8.739 -3.798 1.00 0.00 O ATOM 687 CB LYS A 122 -14.989 -7.560 -1.787 1.00 0.00 C ATOM 688 CG LYS A 122 -14.904 -8.235 -0.427 1.00 0.00 C ATOM 689 CD LYS A 122 -13.538 -8.862 -0.201 1.00 0.00 C ATOM 690 CE LYS A 122 -13.572 -9.881 0.925 1.00 0.00 C ATOM 691 NZ LYS A 122 -13.427 -9.253 2.235 1.00 0.00 N ATOM 0 H LYS A 122 -13.363 -4.857 -2.002 1.00 0.00 H new ATOM 0 HA LYS A 122 -12.965 -6.963 -1.412 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -15.766 -6.797 -1.756 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -15.295 -8.297 -2.530 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -15.104 -7.504 0.356 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -15.675 -9.002 -0.352 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -13.201 -9.344 -1.119 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -12.813 -8.083 0.034 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -14.513 -10.431 0.888 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -12.772 -10.608 0.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -13.456 -9.983 2.975 1.00 0.00 H new ATOM 702 N MET A 123 -12.051 -7.120 -4.019 1.00 0.00 N ATOM 703 CA MET A 123 -11.407 -7.737 -5.172 1.00 0.00 C ATOM 704 C MET A 123 -9.974 -8.146 -4.844 1.00 0.00 C ATOM 705 O MET A 123 -9.207 -8.517 -5.734 1.00 0.00 O ATOM 706 CB MET A 123 -11.416 -6.769 -6.356 1.00 0.00 C ATOM 707 CG MET A 123 -10.251 -5.792 -6.352 1.00 0.00 C ATOM 708 SD MET A 123 -10.264 -4.689 -7.778 1.00 0.00 S ATOM 709 CE MET A 123 -9.384 -3.275 -7.120 1.00 0.00 C ATOM 0 H MET A 123 -11.627 -6.241 -3.721 1.00 0.00 H new ATOM 0 HA MET A 123 -11.967 -8.634 -5.436 1.00 0.00 H new ATOM 0 HB2 MET A 123 -11.396 -7.342 -7.283 1.00 0.00 H new ATOM 0 HB3 MET A 123 -12.350 -6.208 -6.349 1.00 0.00 H new ATOM 0 HG2 MET A 123 -10.283 -5.198 -5.438 1.00 0.00 H new ATOM 0 HG3 MET A 123 -9.314 -6.350 -6.337 1.00 0.00 H new ATOM 0 HE1 MET A 123 -10.083 -2.454 -6.960 1.00 0.00 H new ATOM 0 HE2 MET A 123 -8.918 -3.545 -6.172 1.00 0.00 H new ATOM 0 HE3 MET A 123 -8.615 -2.964 -7.827 1.00 0.00 H new ATOM 719 N MET A 124 -9.617 -8.079 -3.565 1.00 0.00 N ATOM 720 CA MET A 124 -8.277 -8.443 -3.126 1.00 0.00 C ATOM 721 C MET A 124 -7.236 -8.014 -4.152 1.00 0.00 C ATOM 722 O MET A 124 -6.261 -8.725 -4.397 1.00 0.00 O ATOM 723 CB MET A 124 -8.187 -9.952 -2.890 1.00 0.00 C ATOM 724 CG MET A 124 -9.066 -10.444 -1.753 1.00 0.00 C ATOM 725 SD MET A 124 -8.643 -9.688 -0.172 1.00 0.00 S ATOM 726 CE MET A 124 -10.117 -8.723 0.147 1.00 0.00 C ATOM 0 H MET A 124 -10.238 -7.776 -2.815 1.00 0.00 H new ATOM 0 HA MET A 124 -8.074 -7.924 -2.189 1.00 0.00 H new ATOM 0 HB2 MET A 124 -8.468 -10.472 -3.806 1.00 0.00 H new ATOM 0 HB3 MET A 124 -7.151 -10.217 -2.678 1.00 0.00 H new ATOM 0 HG2 MET A 124 -10.109 -10.230 -1.986 1.00 0.00 H new ATOM 0 HG3 MET A 124 -8.974 -11.527 -1.670 1.00 0.00 H new ATOM 0 HE1 MET A 124 -9.852 -7.831 0.714 1.00 0.00 H new ATOM 0 HE2 MET A 124 -10.572 -8.430 -0.799 1.00 0.00 H new ATOM 0 HE3 MET A 124 -10.826 -9.320 0.721 1.00 0.00 H new ATOM 736 N ASN A 125 -7.446 -6.844 -4.745 1.00 0.00 N ATOM 737 CA ASN A 125 -6.521 -6.318 -5.743 1.00 0.00 C ATOM 738 C ASN A 125 -5.314 -5.677 -5.070 1.00 0.00 C ATOM 739 O ASN A 125 -5.166 -4.455 -5.069 1.00 0.00 O ATOM 740 CB ASN A 125 -7.225 -5.297 -6.639 1.00 0.00 C ATOM 741 CG ASN A 125 -6.246 -4.428 -7.406 1.00 0.00 C ATOM 742 OD1 ASN A 125 -5.536 -4.905 -8.291 1.00 0.00 O ATOM 743 ND2 ASN A 125 -6.203 -3.145 -7.068 1.00 0.00 N ATOM 0 H ASN A 125 -8.247 -6.242 -4.553 1.00 0.00 H new ATOM 0 HA ASN A 125 -6.177 -7.148 -6.360 1.00 0.00 H new ATOM 0 HB2 ASN A 125 -7.871 -5.821 -7.344 1.00 0.00 H new ATOM 0 HB3 ASN A 125 -7.867 -4.663 -6.028 1.00 0.00 H new ATOM 0 HD21 ASN A 125 -5.563 -2.512 -7.548 1.00 0.00 H new ATOM 0 HD22 ASN A 125 -6.810 -2.792 -6.328 1.00 0.00 H new ATOM 750 N GLN A 126 -4.455 -6.510 -4.494 1.00 0.00 N ATOM 751 CA GLN A 126 -3.262 -6.022 -3.813 1.00 0.00 C ATOM 752 C GLN A 126 -2.242 -5.484 -4.809 1.00 0.00 C ATOM 753 O GLN A 126 -1.942 -6.125 -5.816 1.00 0.00 O ATOM 754 CB GLN A 126 -2.638 -7.138 -2.974 1.00 0.00 C ATOM 755 CG GLN A 126 -1.986 -8.232 -3.805 1.00 0.00 C ATOM 756 CD GLN A 126 -2.087 -9.598 -3.154 1.00 0.00 C ATOM 757 OE1 GLN A 126 -2.540 -9.723 -2.017 1.00 0.00 O ATOM 758 NE2 GLN A 126 -1.663 -10.630 -3.875 1.00 0.00 N ATOM 0 H GLN A 126 -4.562 -7.524 -4.485 1.00 0.00 H new ATOM 0 HA GLN A 126 -3.560 -5.205 -3.156 1.00 0.00 H new ATOM 0 HB2 GLN A 126 -1.892 -6.706 -2.307 1.00 0.00 H new ATOM 0 HB3 GLN A 126 -3.409 -7.582 -2.344 1.00 0.00 H new ATOM 0 HG2 GLN A 126 -2.457 -8.266 -4.787 1.00 0.00 H new ATOM 0 HG3 GLN A 126 -0.936 -7.986 -3.963 1.00 0.00 H new ATOM 0 HE21 GLN A 126 -1.295 -10.479 -4.814 1.00 0.00 H new ATOM 0 HE22 GLN A 126 -1.706 -11.573 -3.489 1.00 0.00 H new ATOM 767 N ILE A 127 -1.714 -4.300 -4.519 1.00 0.00 N ATOM 768 CA ILE A 127 -0.727 -3.669 -5.385 1.00 0.00 C ATOM 769 C ILE A 127 0.655 -4.276 -5.176 1.00 0.00 C ATOM 770 O ILE A 127 0.945 -4.830 -4.116 1.00 0.00 O ATOM 771 CB ILE A 127 -0.649 -2.151 -5.134 1.00 0.00 C ATOM 772 CG1 ILE A 127 -2.051 -1.539 -5.134 1.00 0.00 C ATOM 773 CG2 ILE A 127 0.226 -1.485 -6.184 1.00 0.00 C ATOM 774 CD1 ILE A 127 -2.922 -2.017 -6.276 1.00 0.00 C ATOM 0 H ILE A 127 -1.954 -3.758 -3.689 1.00 0.00 H new ATOM 0 HA ILE A 127 -1.048 -3.846 -6.411 1.00 0.00 H new ATOM 0 HB ILE A 127 -0.200 -1.982 -4.155 1.00 0.00 H new ATOM 0 HG12 ILE A 127 -2.542 -1.776 -4.190 1.00 0.00 H new ATOM 0 HG13 ILE A 127 -1.964 -0.454 -5.184 1.00 0.00 H new ATOM 0 HG21 ILE A 127 0.271 -0.413 -5.993 1.00 0.00 H new ATOM 0 HG22 ILE A 127 1.231 -1.904 -6.139 1.00 0.00 H new ATOM 0 HG23 ILE A 127 -0.196 -1.660 -7.174 1.00 0.00 H new ATOM 0 HD11 ILE A 127 -3.901 -1.541 -6.211 1.00 0.00 H new ATOM 0 HD12 ILE A 127 -2.454 -1.756 -7.225 1.00 0.00 H new ATOM 0 HD13 ILE A 127 -3.040 -3.099 -6.215 1.00 0.00 H new ATOM 786 N GLU A 128 1.505 -4.166 -6.192 1.00 0.00 N ATOM 787 CA GLU A 128 2.859 -4.702 -6.118 1.00 0.00 C ATOM 788 C GLU A 128 3.891 -3.582 -6.206 1.00 0.00 C ATOM 789 O GLU A 128 3.958 -2.864 -7.203 1.00 0.00 O ATOM 790 CB GLU A 128 3.093 -5.715 -7.240 1.00 0.00 C ATOM 791 CG GLU A 128 2.333 -7.019 -7.052 1.00 0.00 C ATOM 792 CD GLU A 128 1.456 -7.359 -8.241 1.00 0.00 C ATOM 793 OE1 GLU A 128 0.467 -6.633 -8.476 1.00 0.00 O ATOM 794 OE2 GLU A 128 1.758 -8.350 -8.937 1.00 0.00 O ATOM 0 H GLU A 128 1.280 -3.710 -7.076 1.00 0.00 H new ATOM 0 HA GLU A 128 2.972 -5.204 -5.157 1.00 0.00 H new ATOM 0 HB2 GLU A 128 2.800 -5.267 -8.189 1.00 0.00 H new ATOM 0 HB3 GLU A 128 4.159 -5.932 -7.306 1.00 0.00 H new ATOM 0 HG2 GLU A 128 3.044 -7.829 -6.886 1.00 0.00 H new ATOM 0 HG3 GLU A 128 1.715 -6.949 -6.157 1.00 0.00 H new ATOM 801 N ALA A 129 4.693 -3.438 -5.156 1.00 0.00 N ATOM 802 CA ALA A 129 5.720 -2.404 -5.116 1.00 0.00 C ATOM 803 C ALA A 129 6.376 -2.229 -6.482 1.00 0.00 C ATOM 804 O ALA A 129 7.311 -2.952 -6.830 1.00 0.00 O ATOM 805 CB ALA A 129 6.768 -2.740 -4.065 1.00 0.00 C ATOM 0 H ALA A 129 4.651 -4.024 -4.322 1.00 0.00 H new ATOM 0 HA ALA A 129 5.241 -1.462 -4.848 1.00 0.00 H new ATOM 0 HB1 ALA A 129 7.528 -1.959 -4.047 1.00 0.00 H new ATOM 0 HB2 ALA A 129 6.293 -2.807 -3.086 1.00 0.00 H new ATOM 0 HB3 ALA A 129 7.234 -3.695 -4.308 1.00 0.00 H new ATOM 811 N ASP A 130 5.882 -1.265 -7.251 1.00 0.00 N ATOM 812 CA ASP A 130 6.422 -0.995 -8.578 1.00 0.00 C ATOM 813 C ASP A 130 7.817 -0.388 -8.482 1.00 0.00 C ATOM 814 O ASP A 130 8.542 -0.312 -9.474 1.00 0.00 O ATOM 815 CB ASP A 130 5.495 -0.053 -9.348 1.00 0.00 C ATOM 816 CG ASP A 130 5.654 1.393 -8.918 1.00 0.00 C ATOM 817 OD1 ASP A 130 5.020 1.788 -7.917 1.00 0.00 O ATOM 818 OD2 ASP A 130 6.412 2.129 -9.583 1.00 0.00 O ATOM 0 H ASP A 130 5.109 -0.658 -6.978 1.00 0.00 H new ATOM 0 HA ASP A 130 6.492 -1.941 -9.114 1.00 0.00 H new ATOM 0 HB2 ASP A 130 5.701 -0.137 -10.415 1.00 0.00 H new ATOM 0 HB3 ASP A 130 4.461 -0.362 -9.198 1.00 0.00 H new ATOM 823 N LYS A 131 8.188 0.041 -7.279 1.00 0.00 N ATOM 824 CA LYS A 131 9.496 0.640 -7.051 1.00 0.00 C ATOM 825 C LYS A 131 10.108 0.128 -5.751 1.00 0.00 C ATOM 826 O LYS A 131 9.412 -0.038 -4.749 1.00 0.00 O ATOM 827 CB LYS A 131 9.383 2.165 -7.011 1.00 0.00 C ATOM 828 CG LYS A 131 8.979 2.780 -8.341 1.00 0.00 C ATOM 829 CD LYS A 131 9.814 4.009 -8.663 1.00 0.00 C ATOM 830 CE LYS A 131 8.990 5.283 -8.567 1.00 0.00 C ATOM 831 NZ LYS A 131 7.808 5.251 -9.472 1.00 0.00 N ATOM 0 H LYS A 131 7.600 -0.016 -6.448 1.00 0.00 H new ATOM 0 HA LYS A 131 10.148 0.354 -7.876 1.00 0.00 H new ATOM 0 HB2 LYS A 131 8.652 2.447 -6.253 1.00 0.00 H new ATOM 0 HB3 LYS A 131 10.341 2.584 -6.702 1.00 0.00 H new ATOM 0 HG2 LYS A 131 9.095 2.042 -9.135 1.00 0.00 H new ATOM 0 HG3 LYS A 131 7.924 3.053 -8.311 1.00 0.00 H new ATOM 0 HD2 LYS A 131 10.658 4.067 -7.975 1.00 0.00 H new ATOM 0 HD3 LYS A 131 10.227 3.917 -9.667 1.00 0.00 H new ATOM 0 HE2 LYS A 131 8.656 5.422 -7.539 1.00 0.00 H new ATOM 0 HE3 LYS A 131 9.616 6.140 -8.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 7.524 6.224 -9.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 8.053 4.741 -10.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 7.020 4.766 -8.997 1.00 0.00 H new ATOM 845 N SER A 132 11.413 -0.122 -5.774 1.00 0.00 N ATOM 846 CA SER A 132 12.119 -0.617 -4.598 1.00 0.00 C ATOM 847 C SER A 132 12.285 0.487 -3.558 1.00 0.00 C ATOM 848 O SER A 132 11.786 1.598 -3.732 1.00 0.00 O ATOM 849 CB SER A 132 13.488 -1.171 -4.994 1.00 0.00 C ATOM 850 OG SER A 132 13.994 -2.044 -3.998 1.00 0.00 O ATOM 0 H SER A 132 12.004 0.010 -6.595 1.00 0.00 H new ATOM 0 HA SER A 132 11.524 -1.418 -4.159 1.00 0.00 H new ATOM 0 HB2 SER A 132 13.408 -1.703 -5.942 1.00 0.00 H new ATOM 0 HB3 SER A 132 14.186 -0.348 -5.149 1.00 0.00 H new ATOM 0 HG SER A 132 13.257 -2.361 -3.436 1.00 0.00 H new ATOM 856 N GLY A 133 12.989 0.170 -2.477 1.00 0.00 N ATOM 857 CA GLY A 133 13.210 1.145 -1.423 1.00 0.00 C ATOM 858 C GLY A 133 12.661 0.686 -0.087 1.00 0.00 C ATOM 859 O GLY A 133 11.901 -0.280 -0.019 1.00 0.00 O ATOM 0 H GLY A 133 13.411 -0.744 -2.311 1.00 0.00 H new ATOM 0 HA2 GLY A 133 14.279 1.336 -1.327 1.00 0.00 H new ATOM 0 HA3 GLY A 133 12.741 2.089 -1.701 1.00 0.00 H new ATOM 863 N THR A 134 13.047 1.380 0.978 1.00 0.00 N ATOM 864 CA THR A 134 12.589 1.038 2.321 1.00 0.00 C ATOM 865 C THR A 134 11.356 1.852 2.698 1.00 0.00 C ATOM 866 O THR A 134 11.460 3.024 3.059 1.00 0.00 O ATOM 867 CB THR A 134 13.705 1.278 3.339 1.00 0.00 C ATOM 868 OG1 THR A 134 14.791 0.398 3.108 1.00 0.00 O ATOM 869 CG2 THR A 134 13.257 1.088 4.772 1.00 0.00 C ATOM 0 H THR A 134 13.676 2.182 0.938 1.00 0.00 H new ATOM 0 HA THR A 134 12.321 -0.018 2.329 1.00 0.00 H new ATOM 0 HB THR A 134 14.003 2.318 3.203 1.00 0.00 H new ATOM 0 HG1 THR A 134 15.496 0.568 3.768 1.00 0.00 H new ATOM 0 HG21 THR A 134 14.096 1.273 5.443 1.00 0.00 H new ATOM 0 HG22 THR A 134 12.451 1.787 4.997 1.00 0.00 H new ATOM 0 HG23 THR A 134 12.901 0.067 4.910 1.00 0.00 H new ATOM 877 N VAL A 135 10.188 1.222 2.611 1.00 0.00 N ATOM 878 CA VAL A 135 8.935 1.888 2.945 1.00 0.00 C ATOM 879 C VAL A 135 9.117 2.846 4.117 1.00 0.00 C ATOM 880 O VAL A 135 9.608 2.460 5.176 1.00 0.00 O ATOM 881 CB VAL A 135 7.834 0.870 3.297 1.00 0.00 C ATOM 882 CG1 VAL A 135 6.501 1.572 3.500 1.00 0.00 C ATOM 883 CG2 VAL A 135 7.726 -0.195 2.216 1.00 0.00 C ATOM 0 H VAL A 135 10.084 0.252 2.312 1.00 0.00 H new ATOM 0 HA VAL A 135 8.631 2.451 2.062 1.00 0.00 H new ATOM 0 HB VAL A 135 8.105 0.379 4.232 1.00 0.00 H new ATOM 0 HG11 VAL A 135 5.736 0.836 3.748 1.00 0.00 H new ATOM 0 HG12 VAL A 135 6.589 2.292 4.314 1.00 0.00 H new ATOM 0 HG13 VAL A 135 6.221 2.092 2.584 1.00 0.00 H new ATOM 0 HG21 VAL A 135 6.943 -0.905 2.482 1.00 0.00 H new ATOM 0 HG22 VAL A 135 7.480 0.276 1.264 1.00 0.00 H new ATOM 0 HG23 VAL A 135 8.677 -0.720 2.126 1.00 0.00 H new ATOM 893 N LYS A 136 8.717 4.099 3.917 1.00 0.00 N ATOM 894 CA LYS A 136 8.838 5.111 4.959 1.00 0.00 C ATOM 895 C LYS A 136 7.698 4.994 5.967 1.00 0.00 C ATOM 896 O LYS A 136 7.924 5.014 7.177 1.00 0.00 O ATOM 897 CB LYS A 136 8.847 6.511 4.341 1.00 0.00 C ATOM 898 CG LYS A 136 10.184 7.226 4.469 1.00 0.00 C ATOM 899 CD LYS A 136 10.510 7.542 5.919 1.00 0.00 C ATOM 900 CE LYS A 136 9.438 8.413 6.555 1.00 0.00 C ATOM 901 NZ LYS A 136 10.016 9.618 7.211 1.00 0.00 N ATOM 0 H LYS A 136 8.308 4.436 3.046 1.00 0.00 H new ATOM 0 HA LYS A 136 9.780 4.947 5.483 1.00 0.00 H new ATOM 0 HB2 LYS A 136 8.585 6.435 3.286 1.00 0.00 H new ATOM 0 HB3 LYS A 136 8.075 7.114 4.818 1.00 0.00 H new ATOM 0 HG2 LYS A 136 10.972 6.604 4.045 1.00 0.00 H new ATOM 0 HG3 LYS A 136 10.161 8.150 3.891 1.00 0.00 H new ATOM 0 HD2 LYS A 136 10.607 6.614 6.482 1.00 0.00 H new ATOM 0 HD3 LYS A 136 11.473 8.050 5.974 1.00 0.00 H new ATOM 0 HE2 LYS A 136 8.723 8.723 5.793 1.00 0.00 H new ATOM 0 HE3 LYS A 136 8.886 7.829 7.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 9.252 10.184 7.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 10.679 9.323 7.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 10.521 10.189 6.504 1.00 0.00 H new ATOM 915 N ALA A 137 6.475 4.873 5.461 1.00 0.00 N ATOM 916 CA ALA A 137 5.305 4.752 6.322 1.00 0.00 C ATOM 917 C ALA A 137 4.013 4.919 5.527 1.00 0.00 C ATOM 918 O ALA A 137 4.035 5.325 4.366 1.00 0.00 O ATOM 919 CB ALA A 137 5.369 5.774 7.446 1.00 0.00 C ATOM 0 H ALA A 137 6.269 4.856 4.462 1.00 0.00 H new ATOM 0 HA ALA A 137 5.307 3.751 6.753 1.00 0.00 H new ATOM 0 HB1 ALA A 137 4.489 5.672 8.081 1.00 0.00 H new ATOM 0 HB2 ALA A 137 6.267 5.605 8.040 1.00 0.00 H new ATOM 0 HB3 ALA A 137 5.397 6.778 7.023 1.00 0.00 H new ATOM 925 N ILE A 138 2.891 4.605 6.166 1.00 0.00 N ATOM 926 CA ILE A 138 1.585 4.721 5.526 1.00 0.00 C ATOM 927 C ILE A 138 0.699 5.710 6.275 1.00 0.00 C ATOM 928 O ILE A 138 0.845 5.897 7.482 1.00 0.00 O ATOM 929 CB ILE A 138 0.874 3.356 5.456 1.00 0.00 C ATOM 930 CG1 ILE A 138 1.655 2.397 4.555 1.00 0.00 C ATOM 931 CG2 ILE A 138 -0.551 3.525 4.951 1.00 0.00 C ATOM 932 CD1 ILE A 138 1.015 1.032 4.425 1.00 0.00 C ATOM 0 H ILE A 138 2.860 4.268 7.128 1.00 0.00 H new ATOM 0 HA ILE A 138 1.754 5.084 4.512 1.00 0.00 H new ATOM 0 HB ILE A 138 0.834 2.932 6.459 1.00 0.00 H new ATOM 0 HG12 ILE A 138 1.751 2.840 3.564 1.00 0.00 H new ATOM 0 HG13 ILE A 138 2.664 2.280 4.951 1.00 0.00 H new ATOM 0 HG21 ILE A 138 -1.039 2.552 4.907 1.00 0.00 H new ATOM 0 HG22 ILE A 138 -1.102 4.177 5.628 1.00 0.00 H new ATOM 0 HG23 ILE A 138 -0.534 3.967 3.955 1.00 0.00 H new ATOM 0 HD11 ILE A 138 1.623 0.406 3.772 1.00 0.00 H new ATOM 0 HD12 ILE A 138 0.944 0.568 5.409 1.00 0.00 H new ATOM 0 HD13 ILE A 138 0.017 1.137 4.000 1.00 0.00 H new ATOM 944 N LEU A 139 -0.218 6.347 5.552 1.00 0.00 N ATOM 945 CA LEU A 139 -1.120 7.320 6.156 1.00 0.00 C ATOM 946 C LEU A 139 -2.580 6.913 5.972 1.00 0.00 C ATOM 947 O LEU A 139 -3.421 7.184 6.827 1.00 0.00 O ATOM 948 CB LEU A 139 -0.887 8.706 5.553 1.00 0.00 C ATOM 949 CG LEU A 139 0.546 9.228 5.664 1.00 0.00 C ATOM 950 CD1 LEU A 139 1.038 9.135 7.100 1.00 0.00 C ATOM 951 CD2 LEU A 139 1.467 8.455 4.732 1.00 0.00 C ATOM 0 H LEU A 139 -0.355 6.207 4.551 1.00 0.00 H new ATOM 0 HA LEU A 139 -0.907 7.352 7.225 1.00 0.00 H new ATOM 0 HB2 LEU A 139 -1.167 8.679 4.500 1.00 0.00 H new ATOM 0 HB3 LEU A 139 -1.555 9.415 6.042 1.00 0.00 H new ATOM 0 HG LEU A 139 0.555 10.276 5.366 1.00 0.00 H new ATOM 0 HD11 LEU A 139 2.059 9.511 7.160 1.00 0.00 H new ATOM 0 HD12 LEU A 139 0.393 9.732 7.745 1.00 0.00 H new ATOM 0 HD13 LEU A 139 1.014 8.095 7.426 1.00 0.00 H new ATOM 0 HD21 LEU A 139 2.483 8.839 4.823 1.00 0.00 H new ATOM 0 HD22 LEU A 139 1.453 7.399 5.000 1.00 0.00 H new ATOM 0 HD23 LEU A 139 1.126 8.573 3.703 1.00 0.00 H new ATOM 963 N VAL A 140 -2.874 6.266 4.850 1.00 0.00 N ATOM 964 CA VAL A 140 -4.233 5.827 4.558 1.00 0.00 C ATOM 965 C VAL A 140 -4.918 5.287 5.811 1.00 0.00 C ATOM 966 O VAL A 140 -6.138 5.380 5.949 1.00 0.00 O ATOM 967 CB VAL A 140 -4.254 4.744 3.463 1.00 0.00 C ATOM 968 CG1 VAL A 140 -5.627 4.096 3.374 1.00 0.00 C ATOM 969 CG2 VAL A 140 -3.851 5.337 2.122 1.00 0.00 C ATOM 0 H VAL A 140 -2.191 6.034 4.129 1.00 0.00 H new ATOM 0 HA VAL A 140 -4.777 6.701 4.199 1.00 0.00 H new ATOM 0 HB VAL A 140 -3.532 3.972 3.729 1.00 0.00 H new ATOM 0 HG11 VAL A 140 -5.620 3.334 2.595 1.00 0.00 H new ATOM 0 HG12 VAL A 140 -5.874 3.635 4.330 1.00 0.00 H new ATOM 0 HG13 VAL A 140 -6.372 4.854 3.133 1.00 0.00 H new ATOM 0 HG21 VAL A 140 -3.871 4.559 1.359 1.00 0.00 H new ATOM 0 HG22 VAL A 140 -4.548 6.129 1.850 1.00 0.00 H new ATOM 0 HG23 VAL A 140 -2.844 5.749 2.194 1.00 0.00 H new ATOM 979 N GLU A 141 -4.126 4.724 6.718 1.00 0.00 N ATOM 980 CA GLU A 141 -4.657 4.170 7.958 1.00 0.00 C ATOM 981 C GLU A 141 -5.487 2.921 7.687 1.00 0.00 C ATOM 982 O GLU A 141 -6.654 3.006 7.301 1.00 0.00 O ATOM 983 CB GLU A 141 -5.504 5.213 8.691 1.00 0.00 C ATOM 984 CG GLU A 141 -4.722 6.020 9.714 1.00 0.00 C ATOM 985 CD GLU A 141 -5.413 7.320 10.081 1.00 0.00 C ATOM 986 OE1 GLU A 141 -6.660 7.365 10.027 1.00 0.00 O ATOM 987 OE2 GLU A 141 -4.706 8.291 10.423 1.00 0.00 O ATOM 0 H GLU A 141 -3.114 4.639 6.617 1.00 0.00 H new ATOM 0 HA GLU A 141 -3.813 3.892 8.590 1.00 0.00 H new ATOM 0 HB2 GLU A 141 -5.940 5.894 7.960 1.00 0.00 H new ATOM 0 HB3 GLU A 141 -6.331 4.710 9.192 1.00 0.00 H new ATOM 0 HG2 GLU A 141 -4.581 5.421 10.614 1.00 0.00 H new ATOM 0 HG3 GLU A 141 -3.730 6.239 9.318 1.00 0.00 H new ATOM 994 N SER A 142 -4.877 1.761 7.891 1.00 0.00 N ATOM 995 CA SER A 142 -5.557 0.492 7.670 1.00 0.00 C ATOM 996 C SER A 142 -6.925 0.488 8.345 1.00 0.00 C ATOM 997 O SER A 142 -7.207 1.330 9.198 1.00 0.00 O ATOM 998 CB SER A 142 -4.705 -0.658 8.202 1.00 0.00 C ATOM 999 OG SER A 142 -5.365 -1.343 9.252 1.00 0.00 O ATOM 0 H SER A 142 -3.912 1.673 8.209 1.00 0.00 H new ATOM 0 HA SER A 142 -5.703 0.361 6.598 1.00 0.00 H new ATOM 0 HB2 SER A 142 -4.484 -1.354 7.393 1.00 0.00 H new ATOM 0 HB3 SER A 142 -3.751 -0.271 8.560 1.00 0.00 H new ATOM 0 HG SER A 142 -4.798 -2.075 9.573 1.00 0.00 H new ATOM 1005 N GLY A 143 -7.773 -0.460 7.958 1.00 0.00 N ATOM 1006 CA GLY A 143 -9.100 -0.545 8.538 1.00 0.00 C ATOM 1007 C GLY A 143 -9.978 0.629 8.150 1.00 0.00 C ATOM 1008 O GLY A 143 -11.104 0.756 8.633 1.00 0.00 O ATOM 0 H GLY A 143 -7.565 -1.169 7.255 1.00 0.00 H new ATOM 0 HA2 GLY A 143 -9.575 -1.472 8.217 1.00 0.00 H new ATOM 0 HA3 GLY A 143 -9.017 -0.589 9.624 1.00 0.00 H new ATOM 1012 N GLN A 144 -9.464 1.489 7.276 1.00 0.00 N ATOM 1013 CA GLN A 144 -10.211 2.658 6.823 1.00 0.00 C ATOM 1014 C GLN A 144 -10.416 2.619 5.312 1.00 0.00 C ATOM 1015 O GLN A 144 -9.530 2.202 4.565 1.00 0.00 O ATOM 1016 CB GLN A 144 -9.474 3.940 7.218 1.00 0.00 C ATOM 1017 CG GLN A 144 -10.305 4.881 8.076 1.00 0.00 C ATOM 1018 CD GLN A 144 -10.095 6.337 7.712 1.00 0.00 C ATOM 1019 OE1 GLN A 144 -11.033 7.134 7.725 1.00 0.00 O ATOM 1020 NE2 GLN A 144 -8.858 6.693 7.386 1.00 0.00 N ATOM 0 H GLN A 144 -8.534 1.399 6.867 1.00 0.00 H new ATOM 0 HA GLN A 144 -11.189 2.645 7.304 1.00 0.00 H new ATOM 0 HB2 GLN A 144 -8.566 3.675 7.759 1.00 0.00 H new ATOM 0 HB3 GLN A 144 -9.164 4.464 6.314 1.00 0.00 H new ATOM 0 HG2 GLN A 144 -11.360 4.631 7.966 1.00 0.00 H new ATOM 0 HG3 GLN A 144 -10.050 4.732 9.125 1.00 0.00 H new ATOM 0 HE21 GLN A 144 -8.110 5.999 7.388 1.00 0.00 H new ATOM 0 HE22 GLN A 144 -8.656 7.660 7.133 1.00 0.00 H new ATOM 1029 N PRO A 145 -11.594 3.055 4.844 1.00 0.00 N ATOM 1030 CA PRO A 145 -11.922 3.072 3.413 1.00 0.00 C ATOM 1031 C PRO A 145 -11.036 4.034 2.629 1.00 0.00 C ATOM 1032 O PRO A 145 -10.999 5.232 2.911 1.00 0.00 O ATOM 1033 CB PRO A 145 -13.381 3.542 3.382 1.00 0.00 C ATOM 1034 CG PRO A 145 -13.584 4.257 4.673 1.00 0.00 C ATOM 1035 CD PRO A 145 -12.698 3.566 5.671 1.00 0.00 C ATOM 0 HA PRO A 145 -11.767 2.098 2.950 1.00 0.00 H new ATOM 0 HB2 PRO A 145 -13.565 4.200 2.533 1.00 0.00 H new ATOM 0 HB3 PRO A 145 -14.065 2.699 3.286 1.00 0.00 H new ATOM 0 HG2 PRO A 145 -13.321 5.311 4.581 1.00 0.00 H new ATOM 0 HG3 PRO A 145 -14.628 4.215 4.983 1.00 0.00 H new ATOM 0 HD2 PRO A 145 -12.342 4.254 6.437 1.00 0.00 H new ATOM 0 HD3 PRO A 145 -13.222 2.760 6.185 1.00 0.00 H new ATOM 1043 N VAL A 146 -10.324 3.501 1.641 1.00 0.00 N ATOM 1044 CA VAL A 146 -9.436 4.310 0.814 1.00 0.00 C ATOM 1045 C VAL A 146 -10.211 5.390 0.065 1.00 0.00 C ATOM 1046 O VAL A 146 -11.364 5.189 -0.317 1.00 0.00 O ATOM 1047 CB VAL A 146 -8.674 3.443 -0.205 1.00 0.00 C ATOM 1048 CG1 VAL A 146 -7.729 4.298 -1.035 1.00 0.00 C ATOM 1049 CG2 VAL A 146 -7.915 2.331 0.502 1.00 0.00 C ATOM 0 H VAL A 146 -10.345 2.512 1.394 1.00 0.00 H new ATOM 0 HA VAL A 146 -8.721 4.782 1.488 1.00 0.00 H new ATOM 0 HB VAL A 146 -9.399 2.986 -0.878 1.00 0.00 H new ATOM 0 HG11 VAL A 146 -7.200 3.667 -1.749 1.00 0.00 H new ATOM 0 HG12 VAL A 146 -8.300 5.055 -1.573 1.00 0.00 H new ATOM 0 HG13 VAL A 146 -7.009 4.786 -0.379 1.00 0.00 H new ATOM 0 HG21 VAL A 146 -7.383 1.729 -0.234 1.00 0.00 H new ATOM 0 HG22 VAL A 146 -7.200 2.766 1.201 1.00 0.00 H new ATOM 0 HG23 VAL A 146 -8.617 1.700 1.047 1.00 0.00 H new ATOM 1059 N GLU A 147 -9.569 6.535 -0.140 1.00 0.00 N ATOM 1060 CA GLU A 147 -10.194 7.648 -0.844 1.00 0.00 C ATOM 1061 C GLU A 147 -9.321 8.117 -2.003 1.00 0.00 C ATOM 1062 O GLU A 147 -8.102 8.227 -1.869 1.00 0.00 O ATOM 1063 CB GLU A 147 -10.449 8.810 0.119 1.00 0.00 C ATOM 1064 CG GLU A 147 -11.924 9.069 0.381 1.00 0.00 C ATOM 1065 CD GLU A 147 -12.356 8.624 1.764 1.00 0.00 C ATOM 1066 OE1 GLU A 147 -12.765 7.453 1.910 1.00 0.00 O ATOM 1067 OE2 GLU A 147 -12.287 9.447 2.701 1.00 0.00 O ATOM 0 H GLU A 147 -8.615 6.716 0.172 1.00 0.00 H new ATOM 0 HA GLU A 147 -11.146 7.302 -1.246 1.00 0.00 H new ATOM 0 HB2 GLU A 147 -9.951 8.602 1.066 1.00 0.00 H new ATOM 0 HB3 GLU A 147 -9.996 9.714 -0.288 1.00 0.00 H new ATOM 0 HG2 GLU A 147 -12.129 10.133 0.265 1.00 0.00 H new ATOM 0 HG3 GLU A 147 -12.520 8.547 -0.368 1.00 0.00 H new ATOM 1074 N PHE A 148 -9.950 8.390 -3.140 1.00 0.00 N ATOM 1075 CA PHE A 148 -9.226 8.847 -4.321 1.00 0.00 C ATOM 1076 C PHE A 148 -8.121 9.826 -3.940 1.00 0.00 C ATOM 1077 O PHE A 148 -8.392 10.934 -3.477 1.00 0.00 O ATOM 1078 CB PHE A 148 -10.186 9.502 -5.311 1.00 0.00 C ATOM 1079 CG PHE A 148 -9.502 10.376 -6.324 1.00 0.00 C ATOM 1080 CD1 PHE A 148 -8.702 9.818 -7.314 1.00 0.00 C ATOM 1081 CD2 PHE A 148 -9.658 11.757 -6.288 1.00 0.00 C ATOM 1082 CE1 PHE A 148 -8.069 10.621 -8.250 1.00 0.00 C ATOM 1083 CE2 PHE A 148 -9.027 12.566 -7.220 1.00 0.00 C ATOM 1084 CZ PHE A 148 -8.232 11.996 -8.203 1.00 0.00 C ATOM 0 H PHE A 148 -10.958 8.303 -3.270 1.00 0.00 H new ATOM 0 HA PHE A 148 -8.767 7.978 -4.792 1.00 0.00 H new ATOM 0 HB2 PHE A 148 -10.744 8.724 -5.832 1.00 0.00 H new ATOM 0 HB3 PHE A 148 -10.912 10.099 -4.759 1.00 0.00 H new ATOM 0 HD1 PHE A 148 -8.572 8.747 -7.355 1.00 0.00 H new ATOM 0 HD2 PHE A 148 -10.278 12.205 -5.525 1.00 0.00 H new ATOM 0 HE1 PHE A 148 -7.450 10.176 -9.015 1.00 0.00 H new ATOM 0 HE2 PHE A 148 -9.154 13.638 -7.181 1.00 0.00 H new ATOM 0 HZ PHE A 148 -7.740 12.624 -8.931 1.00 0.00 H new ATOM 1094 N ASP A 149 -6.874 9.409 -4.139 1.00 0.00 N ATOM 1095 CA ASP A 149 -5.723 10.247 -3.820 1.00 0.00 C ATOM 1096 C ASP A 149 -5.322 10.093 -2.356 1.00 0.00 C ATOM 1097 O ASP A 149 -5.229 11.075 -1.620 1.00 0.00 O ATOM 1098 CB ASP A 149 -6.032 11.714 -4.124 1.00 0.00 C ATOM 1099 CG ASP A 149 -4.777 12.556 -4.247 1.00 0.00 C ATOM 1100 OD1 ASP A 149 -3.679 11.971 -4.358 1.00 0.00 O ATOM 1101 OD2 ASP A 149 -4.892 13.799 -4.231 1.00 0.00 O ATOM 0 H ASP A 149 -6.635 8.494 -4.520 1.00 0.00 H new ATOM 0 HA ASP A 149 -4.889 9.922 -4.441 1.00 0.00 H new ATOM 0 HB2 ASP A 149 -6.601 11.778 -5.051 1.00 0.00 H new ATOM 0 HB3 ASP A 149 -6.663 12.121 -3.334 1.00 0.00 H new ATOM 1106 N GLU A 150 -5.081 8.853 -1.942 1.00 0.00 N ATOM 1107 CA GLU A 150 -4.683 8.568 -0.568 1.00 0.00 C ATOM 1108 C GLU A 150 -3.331 7.863 -0.534 1.00 0.00 C ATOM 1109 O GLU A 150 -3.161 6.798 -1.128 1.00 0.00 O ATOM 1110 CB GLU A 150 -5.739 7.706 0.125 1.00 0.00 C ATOM 1111 CG GLU A 150 -6.167 8.241 1.482 1.00 0.00 C ATOM 1112 CD GLU A 150 -7.668 8.419 1.592 1.00 0.00 C ATOM 1113 OE1 GLU A 150 -8.374 7.407 1.792 1.00 0.00 O ATOM 1114 OE2 GLU A 150 -8.140 9.570 1.476 1.00 0.00 O ATOM 0 H GLU A 150 -5.154 8.029 -2.539 1.00 0.00 H new ATOM 0 HA GLU A 150 -4.595 9.515 -0.036 1.00 0.00 H new ATOM 0 HB2 GLU A 150 -6.615 7.631 -0.519 1.00 0.00 H new ATOM 0 HB3 GLU A 150 -5.347 6.696 0.249 1.00 0.00 H new ATOM 0 HG2 GLU A 150 -5.828 7.558 2.261 1.00 0.00 H new ATOM 0 HG3 GLU A 150 -5.677 9.198 1.662 1.00 0.00 H new ATOM 1121 N PRO A 151 -2.350 8.451 0.165 1.00 0.00 N ATOM 1122 CA PRO A 151 -1.005 7.879 0.278 1.00 0.00 C ATOM 1123 C PRO A 151 -1.018 6.492 0.914 1.00 0.00 C ATOM 1124 O PRO A 151 -0.834 6.349 2.123 1.00 0.00 O ATOM 1125 CB PRO A 151 -0.255 8.873 1.174 1.00 0.00 C ATOM 1126 CG PRO A 151 -1.320 9.664 1.857 1.00 0.00 C ATOM 1127 CD PRO A 151 -2.474 9.717 0.900 1.00 0.00 C ATOM 0 HA PRO A 151 -0.542 7.742 -0.699 1.00 0.00 H new ATOM 0 HB2 PRO A 151 0.375 8.354 1.897 1.00 0.00 H new ATOM 0 HB3 PRO A 151 0.399 9.518 0.586 1.00 0.00 H new ATOM 0 HG2 PRO A 151 -1.613 9.194 2.796 1.00 0.00 H new ATOM 0 HG3 PRO A 151 -0.967 10.667 2.099 1.00 0.00 H new ATOM 0 HD2 PRO A 151 -3.428 9.789 1.422 1.00 0.00 H new ATOM 0 HD3 PRO A 151 -2.408 10.578 0.235 1.00 0.00 H new ATOM 1135 N LEU A 152 -1.237 5.473 0.088 1.00 0.00 N ATOM 1136 CA LEU A 152 -1.275 4.095 0.563 1.00 0.00 C ATOM 1137 C LEU A 152 0.042 3.710 1.226 1.00 0.00 C ATOM 1138 O LEU A 152 0.061 3.209 2.350 1.00 0.00 O ATOM 1139 CB LEU A 152 -1.571 3.142 -0.597 1.00 0.00 C ATOM 1140 CG LEU A 152 -3.053 2.971 -0.932 1.00 0.00 C ATOM 1141 CD1 LEU A 152 -3.227 2.541 -2.381 1.00 0.00 C ATOM 1142 CD2 LEU A 152 -3.698 1.963 0.006 1.00 0.00 C ATOM 0 H LEU A 152 -1.391 5.577 -0.915 1.00 0.00 H new ATOM 0 HA LEU A 152 -2.071 4.015 1.304 1.00 0.00 H new ATOM 0 HB2 LEU A 152 -1.053 3.503 -1.485 1.00 0.00 H new ATOM 0 HB3 LEU A 152 -1.153 2.164 -0.359 1.00 0.00 H new ATOM 0 HG LEU A 152 -3.549 3.932 -0.798 1.00 0.00 H new ATOM 0 HD11 LEU A 152 -4.288 2.424 -2.601 1.00 0.00 H new ATOM 0 HD12 LEU A 152 -2.801 3.299 -3.039 1.00 0.00 H new ATOM 0 HD13 LEU A 152 -2.716 1.592 -2.543 1.00 0.00 H new ATOM 0 HD21 LEU A 152 -4.753 1.854 -0.247 1.00 0.00 H new ATOM 0 HD22 LEU A 152 -3.199 1.000 -0.096 1.00 0.00 H new ATOM 0 HD23 LEU A 152 -3.606 2.312 1.034 1.00 0.00 H new ATOM 1154 N VAL A 153 1.144 3.946 0.521 1.00 0.00 N ATOM 1155 CA VAL A 153 2.466 3.622 1.042 1.00 0.00 C ATOM 1156 C VAL A 153 3.536 4.510 0.416 1.00 0.00 C ATOM 1157 O VAL A 153 3.620 4.631 -0.806 1.00 0.00 O ATOM 1158 CB VAL A 153 2.825 2.147 0.784 1.00 0.00 C ATOM 1159 CG1 VAL A 153 3.967 1.709 1.687 1.00 0.00 C ATOM 1160 CG2 VAL A 153 1.607 1.259 0.982 1.00 0.00 C ATOM 0 H VAL A 153 1.147 4.360 -0.411 1.00 0.00 H new ATOM 0 HA VAL A 153 2.434 3.798 2.117 1.00 0.00 H new ATOM 0 HB VAL A 153 3.154 2.048 -0.251 1.00 0.00 H new ATOM 0 HG11 VAL A 153 4.206 0.664 1.490 1.00 0.00 H new ATOM 0 HG12 VAL A 153 4.844 2.326 1.490 1.00 0.00 H new ATOM 0 HG13 VAL A 153 3.671 1.823 2.730 1.00 0.00 H new ATOM 0 HG21 VAL A 153 1.880 0.220 0.795 1.00 0.00 H new ATOM 0 HG22 VAL A 153 1.245 1.361 2.005 1.00 0.00 H new ATOM 0 HG23 VAL A 153 0.822 1.558 0.288 1.00 0.00 H new ATOM 1170 N VAL A 154 4.353 5.129 1.262 1.00 0.00 N ATOM 1171 CA VAL A 154 5.418 6.005 0.793 1.00 0.00 C ATOM 1172 C VAL A 154 6.786 5.364 0.997 1.00 0.00 C ATOM 1173 O VAL A 154 7.184 5.071 2.124 1.00 0.00 O ATOM 1174 CB VAL A 154 5.385 7.366 1.514 1.00 0.00 C ATOM 1175 CG1 VAL A 154 3.967 7.911 1.562 1.00 0.00 C ATOM 1176 CG2 VAL A 154 5.963 7.242 2.916 1.00 0.00 C ATOM 0 H VAL A 154 4.297 5.039 2.277 1.00 0.00 H new ATOM 0 HA VAL A 154 5.251 6.165 -0.272 1.00 0.00 H new ATOM 0 HB VAL A 154 6.001 8.068 0.952 1.00 0.00 H new ATOM 0 HG11 VAL A 154 3.964 8.873 2.075 1.00 0.00 H new ATOM 0 HG12 VAL A 154 3.592 8.040 0.547 1.00 0.00 H new ATOM 0 HG13 VAL A 154 3.326 7.211 2.099 1.00 0.00 H new ATOM 0 HG21 VAL A 154 5.931 8.213 3.410 1.00 0.00 H new ATOM 0 HG22 VAL A 154 5.376 6.524 3.489 1.00 0.00 H new ATOM 0 HG23 VAL A 154 6.996 6.900 2.855 1.00 0.00 H new ATOM 1186 N ILE A 155 7.501 5.147 -0.102 1.00 0.00 N ATOM 1187 CA ILE A 155 8.825 4.540 -0.046 1.00 0.00 C ATOM 1188 C ILE A 155 9.920 5.593 -0.169 1.00 0.00 C ATOM 1189 O ILE A 155 9.807 6.531 -0.959 1.00 0.00 O ATOM 1190 CB ILE A 155 9.009 3.491 -1.160 1.00 0.00 C ATOM 1191 CG1 ILE A 155 7.899 2.441 -1.088 1.00 0.00 C ATOM 1192 CG2 ILE A 155 10.377 2.834 -1.051 1.00 0.00 C ATOM 1193 CD1 ILE A 155 7.625 1.759 -2.411 1.00 0.00 C ATOM 0 H ILE A 155 7.185 5.383 -1.043 1.00 0.00 H new ATOM 0 HA ILE A 155 8.906 4.049 0.924 1.00 0.00 H new ATOM 0 HB ILE A 155 8.947 3.993 -2.125 1.00 0.00 H new ATOM 0 HG12 ILE A 155 8.171 1.687 -0.349 1.00 0.00 H new ATOM 0 HG13 ILE A 155 6.983 2.916 -0.737 1.00 0.00 H new ATOM 0 HG21 ILE A 155 10.490 2.096 -1.845 1.00 0.00 H new ATOM 0 HG22 ILE A 155 11.154 3.593 -1.147 1.00 0.00 H new ATOM 0 HG23 ILE A 155 10.468 2.342 -0.083 1.00 0.00 H new ATOM 0 HD11 ILE A 155 6.827 1.027 -2.285 1.00 0.00 H new ATOM 0 HD12 ILE A 155 7.322 2.503 -3.148 1.00 0.00 H new ATOM 0 HD13 ILE A 155 8.528 1.255 -2.754 1.00 0.00 H new ATOM 1205 N GLU A 156 10.979 5.434 0.618 1.00 0.00 N ATOM 1206 CA GLU A 156 12.095 6.373 0.597 1.00 0.00 C ATOM 1207 C GLU A 156 13.146 5.946 -0.422 1.00 0.00 C ATOM 1208 O GLU A 156 12.893 4.969 -1.158 1.00 0.00 O ATOM 1209 CB GLU A 156 12.727 6.475 1.987 1.00 0.00 C ATOM 1210 CG GLU A 156 12.769 7.893 2.533 1.00 0.00 C ATOM 1211 CD GLU A 156 14.178 8.452 2.590 1.00 0.00 C ATOM 1212 OE1 GLU A 156 14.801 8.604 1.519 1.00 0.00 O ATOM 1213 OE2 GLU A 156 14.657 8.739 3.708 1.00 0.00 O ATOM 1214 OXT GLU A 156 14.213 6.593 -0.477 1.00 0.00 O ATOM 0 H GLU A 156 11.088 4.664 1.278 1.00 0.00 H new ATOM 0 HA GLU A 156 11.710 7.351 0.307 1.00 0.00 H new ATOM 0 HB2 GLU A 156 12.168 5.845 2.678 1.00 0.00 H new ATOM 0 HB3 GLU A 156 13.742 6.080 1.945 1.00 0.00 H new ATOM 0 HG2 GLU A 156 12.151 8.538 1.908 1.00 0.00 H new ATOM 0 HG3 GLU A 156 12.335 7.907 3.533 1.00 0.00 H new TER 1221 GLU A 156 HETATM 1222 C11 BTN A 222 -14.216 -9.517 3.271 1.00 0.00 C HETATM 1223 O11 BTN A 222 -15.065 -10.405 3.204 1.00 0.00 O HETATM 1224 C10 BTN A 222 -14.087 -8.730 4.560 1.00 0.00 C HETATM 1225 C9 BTN A 222 -12.760 -7.997 4.665 1.00 0.00 C HETATM 1226 C8 BTN A 222 -11.584 -8.951 4.530 1.00 0.00 C HETATM 1227 C7 BTN A 222 -10.565 -8.739 5.637 1.00 0.00 C HETATM 1228 C2 BTN A 222 -9.156 -9.219 5.275 1.00 0.00 C HETATM 1229 S1 BTN A 222 -8.781 -10.969 5.706 1.00 0.00 S HETATM 1230 C6 BTN A 222 -6.976 -10.615 5.765 1.00 0.00 C HETATM 1231 C5 BTN A 222 -6.855 -9.218 6.361 1.00 0.00 C HETATM 1232 N1 BTN A 222 -6.908 -9.232 7.818 1.00 0.00 N HETATM 1233 C3 BTN A 222 -7.940 -8.567 8.340 1.00 0.00 C HETATM 1234 O3 BTN A 222 -8.197 -8.437 9.537 1.00 0.00 O HETATM 1235 N2 BTN A 222 -8.639 -8.071 7.321 1.00 0.00 N HETATM 1236 C4 BTN A 222 -8.091 -8.389 6.010 1.00 0.00 C HETATM 0 H102 BTN A 222 -14.902 -8.009 4.625 1.00 0.00 H new HETATM 0 H101 BTN A 222 -14.192 -9.407 5.407 1.00 0.00 H new HETATM 0 HN2 BTN A 222 -9.485 -7.516 7.448 1.00 0.00 H new HETATM 0 HN1 BTN A 222 -6.213 -9.711 8.391 1.00 0.00 H new HETATM 0 H92 BTN A 222 -12.702 -7.234 3.888 1.00 0.00 H new HETATM 0 H91 BTN A 222 -12.703 -7.481 5.623 1.00 0.00 H new HETATM 0 H82 BTN A 222 -11.944 -9.980 4.557 1.00 0.00 H new HETATM 0 H81 BTN A 222 -11.106 -8.806 3.561 1.00 0.00 H new HETATM 0 H72 BTN A 222 -10.526 -7.678 5.885 1.00 0.00 H new HETATM 0 H71 BTN A 222 -10.899 -9.263 6.532 1.00 0.00 H new HETATM 0 H62 BTN A 222 -6.452 -11.349 6.376 1.00 0.00 H new HETATM 0 H61 BTN A 222 -6.535 -10.656 4.769 1.00 0.00 H new HETATM 0 H5 BTN A 222 -5.914 -8.826 5.975 1.00 0.00 H new HETATM 0 H4 BTN A 222 -7.836 -7.543 5.372 1.00 0.00 H new HETATM 0 H2 BTN A 222 -9.129 -9.108 4.191 1.00 0.00 H new