USER MOD reduce.3.24.130724 H: found=0, std=0, add=896, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 897 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 101 LYS NZ :NH3+ 149:sc= 0.686 (180deg=0) USER MOD Set 1.2: A 105 GLN : amide:sc= 0.201 K(o=0.89,f=-9.5!) USER MOD Set 2.1: A 99 ASN : amide:sc= -0.725 K(o=-3.7,f=-6.2) USER MOD Set 2.2: A 102 MET CE :methyl -153:sc= -2.95! (180deg=-3.88!) USER MOD Set 3.1: A 93 ASN : amide:sc= -0.678 K(o=0.68,f=-6.7!) USER MOD Set 3.2: A 95 THR OG1 : rot 96:sc= 1.36 USER MOD Set 4.1: A 59 MET CE :methyl 143:sc= -0.599 (180deg=-2.04!) USER MOD Set 4.2: A 88 MET CE :methyl -164:sc= 0 (180deg=0) USER MOD Set 5.1: A 51 THR OG1 : rot 115:sc= -0.221 USER MOD Set 5.2: A 97 MET CE :methyl -163:sc= -5.05! (180deg=-3.94!) USER MOD Set 6.1: A 13 SER OG : rot 45:sc= 0.909 USER MOD Set 6.2: A 32 THR OG1 : rot -177:sc= 1.51 USER MOD Single : A 2 SER OG : rot 32:sc= 0.0115 USER MOD Single : A 3 HIS : no HD1:sc= -0.475 K(o=-0.47,f=-2) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -0.342 K(o=-0.34,f=-4!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= -0.329 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS :FLIP no HD1:sc= -4.35! C(o=-5.1!,f=-4.3!) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.0929 USER MOD Single : A 47 LYS NZ :NH3+ 154:sc= -0.0152 (180deg=-0.501) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot -170:sc= -0.913 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl 164:sc= -6.29! (180deg=-7.76!) USER MOD Single : A 65 LYS NZ :NH3+ -167:sc= 1.19 (180deg=1.18) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 153:sc= 0 (180deg=-0.373) USER MOD Single : A 73 LYS NZ :NH3+ 158:sc= -0.0906 (180deg=-0.55) USER MOD Single : A 75 ASN : amide:sc= -0.182 X(o=-0.18,f=0) USER MOD Single : A 78 ASN : amide:sc= -2.42 K(o=-2.4,f=-3.7!) USER MOD Single : A 83 LYS NZ :NH3+ 137:sc= -0.355 (180deg=-2.44!) USER MOD Single : A 85 GLN : amide:sc= 0.234 K(o=0.23,f=-2.6!) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 103 THR OG1 : rot -165:sc= 0.479 USER MOD Single : A 106 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 109 SER OG : rot -94:sc= 1.14 USER MOD Single : A 111 TYR OH : rot 16:sc= -0.772 USER MOD Single : A 112 LYS NZ :NH3+ 178:sc= -2.21 (180deg=-2.29) USER MOD ----------------------------------------------------------------- ATOM 17 N SER A 2 -10.772 -3.680 11.212 1.00 0.00 N ATOM 18 CA SER A 2 -9.553 -3.449 11.979 1.00 0.00 C ATOM 19 C SER A 2 -8.343 -4.054 11.273 1.00 0.00 C ATOM 20 O SER A 2 -7.550 -3.343 10.658 1.00 0.00 O ATOM 21 CB SER A 2 -9.689 -4.040 13.384 1.00 0.00 C ATOM 22 OG SER A 2 -10.671 -3.345 14.135 1.00 0.00 O ATOM 0 HA SER A 2 -9.402 -2.372 12.060 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.958 -5.094 13.315 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.729 -3.989 13.898 1.00 0.00 H new ATOM 0 HG SER A 2 -11.373 -3.019 13.534 1.00 0.00 H new ATOM 28 N HIS A 3 -8.205 -5.372 11.370 1.00 0.00 N ATOM 29 CA HIS A 3 -7.089 -6.070 10.746 1.00 0.00 C ATOM 30 C HIS A 3 -7.570 -6.970 9.616 1.00 0.00 C ATOM 31 O HIS A 3 -7.004 -8.034 9.364 1.00 0.00 O ATOM 32 CB HIS A 3 -6.331 -6.878 11.797 1.00 0.00 C ATOM 33 CG HIS A 3 -5.787 -6.021 12.893 1.00 0.00 C ATOM 34 ND1 HIS A 3 -6.583 -5.447 13.861 1.00 0.00 N ATOM 35 CD2 HIS A 3 -4.523 -5.614 13.155 1.00 0.00 C ATOM 36 CE1 HIS A 3 -5.835 -4.720 14.670 1.00 0.00 C ATOM 37 NE2 HIS A 3 -4.580 -4.808 14.266 1.00 0.00 N ATOM 0 H HIS A 3 -8.852 -5.977 11.875 1.00 0.00 H new ATOM 0 HA HIS A 3 -6.414 -5.331 10.314 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -6.996 -7.629 12.223 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -5.511 -7.414 11.318 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -3.636 -5.874 12.596 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -6.188 -4.151 15.517 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -3.782 -4.351 14.708 1.00 0.00 H new ATOM 46 N SER A 4 -8.611 -6.519 8.932 1.00 0.00 N ATOM 47 CA SER A 4 -9.178 -7.254 7.810 1.00 0.00 C ATOM 48 C SER A 4 -10.200 -6.401 7.075 1.00 0.00 C ATOM 49 O SER A 4 -10.917 -5.607 7.686 1.00 0.00 O ATOM 50 CB SER A 4 -9.834 -8.556 8.272 1.00 0.00 C ATOM 51 OG SER A 4 -10.775 -8.318 9.303 1.00 0.00 O ATOM 0 H SER A 4 -9.084 -5.639 9.137 1.00 0.00 H new ATOM 0 HA SER A 4 -8.360 -7.500 7.133 1.00 0.00 H new ATOM 0 HB2 SER A 4 -10.329 -9.036 7.428 1.00 0.00 H new ATOM 0 HB3 SER A 4 -9.068 -9.246 8.627 1.00 0.00 H new ATOM 0 HG SER A 4 -11.180 -9.167 9.578 1.00 0.00 H new ATOM 57 N GLY A 5 -10.264 -6.571 5.763 1.00 0.00 N ATOM 58 CA GLY A 5 -11.204 -5.813 4.967 1.00 0.00 C ATOM 59 C GLY A 5 -11.158 -6.192 3.510 1.00 0.00 C ATOM 60 O GLY A 5 -10.138 -6.019 2.843 1.00 0.00 O ATOM 0 H GLY A 5 -9.681 -7.221 5.236 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -12.212 -5.973 5.350 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -10.989 -4.749 5.070 1.00 0.00 H new ATOM 64 N ALA A 6 -12.270 -6.717 3.019 1.00 0.00 N ATOM 65 CA ALA A 6 -12.372 -7.134 1.630 1.00 0.00 C ATOM 66 C ALA A 6 -11.799 -6.080 0.688 1.00 0.00 C ATOM 67 O ALA A 6 -12.406 -5.034 0.460 1.00 0.00 O ATOM 68 CB ALA A 6 -13.814 -7.454 1.289 1.00 0.00 C ATOM 0 H ALA A 6 -13.118 -6.865 3.566 1.00 0.00 H new ATOM 0 HA ALA A 6 -11.777 -8.037 1.497 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -13.881 -7.765 0.247 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -14.170 -8.259 1.932 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -14.430 -6.568 1.443 1.00 0.00 H new ATOM 74 N ALA A 7 -10.612 -6.364 0.161 1.00 0.00 N ATOM 75 CA ALA A 7 -9.927 -5.442 -0.741 1.00 0.00 C ATOM 76 C ALA A 7 -9.661 -6.073 -2.107 1.00 0.00 C ATOM 77 O ALA A 7 -9.492 -7.284 -2.219 1.00 0.00 O ATOM 78 CB ALA A 7 -8.613 -4.990 -0.116 1.00 0.00 C ATOM 0 H ALA A 7 -10.102 -7.228 0.343 1.00 0.00 H new ATOM 0 HA ALA A 7 -10.579 -4.582 -0.895 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -8.106 -4.302 -0.793 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -8.814 -4.486 0.830 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -7.978 -5.858 0.063 1.00 0.00 H new ATOM 84 N ILE A 8 -9.606 -5.239 -3.142 1.00 0.00 N ATOM 85 CA ILE A 8 -9.340 -5.719 -4.494 1.00 0.00 C ATOM 86 C ILE A 8 -7.885 -5.485 -4.863 1.00 0.00 C ATOM 87 O ILE A 8 -7.387 -4.361 -4.797 1.00 0.00 O ATOM 88 CB ILE A 8 -10.259 -5.042 -5.543 1.00 0.00 C ATOM 89 CG1 ILE A 8 -11.572 -5.814 -5.652 1.00 0.00 C ATOM 90 CG2 ILE A 8 -9.590 -4.945 -6.910 1.00 0.00 C ATOM 91 CD1 ILE A 8 -12.770 -5.020 -5.215 1.00 0.00 C ATOM 0 H ILE A 8 -9.742 -4.231 -3.070 1.00 0.00 H new ATOM 0 HA ILE A 8 -9.552 -6.788 -4.502 1.00 0.00 H new ATOM 0 HB ILE A 8 -10.458 -4.025 -5.206 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -11.713 -6.132 -6.685 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -11.504 -6.718 -5.047 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -10.269 -4.464 -7.614 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -8.677 -4.356 -6.827 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -9.345 -5.945 -7.267 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -13.668 -5.629 -5.319 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -12.650 -4.725 -4.173 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -12.862 -4.129 -5.836 1.00 0.00 H new ATOM 103 N PHE A 9 -7.210 -6.553 -5.250 1.00 0.00 N ATOM 104 CA PHE A 9 -5.804 -6.456 -5.633 1.00 0.00 C ATOM 105 C PHE A 9 -5.618 -6.734 -7.119 1.00 0.00 C ATOM 106 O PHE A 9 -6.120 -7.728 -7.643 1.00 0.00 O ATOM 107 CB PHE A 9 -4.952 -7.421 -4.811 1.00 0.00 C ATOM 108 CG PHE A 9 -3.481 -7.118 -4.878 1.00 0.00 C ATOM 109 CD1 PHE A 9 -3.012 -5.842 -4.609 1.00 0.00 C ATOM 110 CD2 PHE A 9 -2.571 -8.107 -5.216 1.00 0.00 C ATOM 111 CE1 PHE A 9 -1.661 -5.558 -4.672 1.00 0.00 C ATOM 112 CE2 PHE A 9 -1.218 -7.828 -5.281 1.00 0.00 C ATOM 113 CZ PHE A 9 -0.763 -6.552 -5.010 1.00 0.00 C ATOM 0 H PHE A 9 -7.604 -7.492 -5.309 1.00 0.00 H new ATOM 0 HA PHE A 9 -5.477 -5.436 -5.430 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -5.276 -7.386 -3.771 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -5.123 -8.438 -5.164 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -3.710 -5.061 -4.347 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -2.922 -9.106 -5.431 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -1.308 -4.560 -4.457 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -0.518 -8.607 -5.543 1.00 0.00 H new ATOM 0 HZ PHE A 9 0.293 -6.332 -5.062 1.00 0.00 H new ATOM 123 N GLU A 10 -4.891 -5.849 -7.795 1.00 0.00 N ATOM 124 CA GLU A 10 -4.637 -5.999 -9.222 1.00 0.00 C ATOM 125 C GLU A 10 -5.939 -6.105 -9.999 1.00 0.00 C ATOM 126 O GLU A 10 -6.022 -6.828 -10.992 1.00 0.00 O ATOM 127 CB GLU A 10 -3.776 -7.237 -9.477 1.00 0.00 C ATOM 128 CG GLU A 10 -2.484 -7.251 -8.676 1.00 0.00 C ATOM 129 CD GLU A 10 -1.604 -8.442 -9.006 1.00 0.00 C ATOM 130 OE1 GLU A 10 -2.090 -9.372 -9.683 1.00 0.00 O ATOM 131 OE2 GLU A 10 -0.429 -8.443 -8.585 1.00 0.00 O ATOM 0 H GLU A 10 -4.468 -5.021 -7.376 1.00 0.00 H new ATOM 0 HA GLU A 10 -4.103 -5.113 -9.566 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -4.354 -8.129 -9.235 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -3.537 -7.291 -10.539 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.931 -6.331 -8.869 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.721 -7.263 -7.612 1.00 0.00 H new ATOM 138 N LYS A 11 -6.967 -5.395 -9.531 1.00 0.00 N ATOM 139 CA LYS A 11 -8.275 -5.426 -10.173 1.00 0.00 C ATOM 140 C LYS A 11 -9.003 -6.721 -9.830 1.00 0.00 C ATOM 141 O LYS A 11 -10.130 -6.948 -10.274 1.00 0.00 O ATOM 142 CB LYS A 11 -8.149 -5.279 -11.693 1.00 0.00 C ATOM 143 CG LYS A 11 -7.208 -4.164 -12.121 1.00 0.00 C ATOM 144 CD LYS A 11 -7.228 -3.966 -13.628 1.00 0.00 C ATOM 145 CE LYS A 11 -6.197 -2.940 -14.068 1.00 0.00 C ATOM 146 NZ LYS A 11 -4.927 -3.581 -14.509 1.00 0.00 N ATOM 0 H LYS A 11 -6.915 -4.793 -8.710 1.00 0.00 H new ATOM 0 HA LYS A 11 -8.854 -4.582 -9.797 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -7.797 -6.221 -12.113 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -9.137 -5.091 -12.115 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -7.494 -3.235 -11.627 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -6.194 -4.398 -11.797 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -7.031 -4.917 -14.124 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -8.221 -3.643 -13.941 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -6.605 -2.343 -14.884 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -5.991 -2.256 -13.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -4.251 -2.847 -14.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -4.524 -4.130 -13.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -5.118 -4.214 -15.312 1.00 0.00 H new ATOM 160 N VAL A 12 -8.363 -7.562 -9.019 1.00 0.00 N ATOM 161 CA VAL A 12 -8.957 -8.815 -8.599 1.00 0.00 C ATOM 162 C VAL A 12 -9.540 -8.654 -7.217 1.00 0.00 C ATOM 163 O VAL A 12 -9.126 -7.789 -6.450 1.00 0.00 O ATOM 164 CB VAL A 12 -7.943 -9.973 -8.608 1.00 0.00 C ATOM 165 CG1 VAL A 12 -8.491 -11.189 -7.871 1.00 0.00 C ATOM 166 CG2 VAL A 12 -7.606 -10.330 -10.034 1.00 0.00 C ATOM 0 H VAL A 12 -7.431 -7.391 -8.643 1.00 0.00 H new ATOM 0 HA VAL A 12 -9.742 -9.067 -9.312 1.00 0.00 H new ATOM 0 HB VAL A 12 -7.039 -9.652 -8.090 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -7.753 -11.991 -7.894 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -8.705 -10.921 -6.836 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.408 -11.525 -8.355 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -6.888 -11.150 -10.044 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.513 -10.635 -10.557 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -7.174 -9.463 -10.534 1.00 0.00 H new ATOM 176 N SER A 13 -10.517 -9.473 -6.908 1.00 0.00 N ATOM 177 CA SER A 13 -11.167 -9.383 -5.615 1.00 0.00 C ATOM 178 C SER A 13 -10.630 -10.394 -4.614 1.00 0.00 C ATOM 179 O SER A 13 -10.208 -11.495 -4.970 1.00 0.00 O ATOM 180 CB SER A 13 -12.670 -9.536 -5.761 1.00 0.00 C ATOM 181 OG SER A 13 -13.013 -10.824 -6.245 1.00 0.00 O ATOM 0 H SER A 13 -10.879 -10.202 -7.523 1.00 0.00 H new ATOM 0 HA SER A 13 -10.941 -8.392 -5.220 1.00 0.00 H new ATOM 0 HB2 SER A 13 -13.150 -9.368 -4.797 1.00 0.00 H new ATOM 0 HB3 SER A 13 -13.050 -8.776 -6.443 1.00 0.00 H new ATOM 0 HG SER A 13 -12.497 -11.503 -5.762 1.00 0.00 H new ATOM 187 N GLY A 14 -10.660 -9.987 -3.354 1.00 0.00 N ATOM 188 CA GLY A 14 -10.190 -10.810 -2.262 1.00 0.00 C ATOM 189 C GLY A 14 -10.248 -10.040 -0.963 1.00 0.00 C ATOM 190 O GLY A 14 -10.654 -8.880 -0.955 1.00 0.00 O ATOM 0 H GLY A 14 -11.012 -9.075 -3.065 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -10.800 -11.710 -2.187 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -9.167 -11.134 -2.456 1.00 0.00 H new ATOM 194 N ILE A 15 -9.845 -10.657 0.136 1.00 0.00 N ATOM 195 CA ILE A 15 -9.866 -9.961 1.410 1.00 0.00 C ATOM 196 C ILE A 15 -8.458 -9.600 1.838 1.00 0.00 C ATOM 197 O ILE A 15 -7.513 -10.358 1.625 1.00 0.00 O ATOM 198 CB ILE A 15 -10.563 -10.773 2.532 1.00 0.00 C ATOM 199 CG1 ILE A 15 -12.066 -10.962 2.251 1.00 0.00 C ATOM 200 CG2 ILE A 15 -10.386 -10.073 3.880 1.00 0.00 C ATOM 201 CD1 ILE A 15 -12.520 -10.562 0.861 1.00 0.00 C ATOM 0 H ILE A 15 -9.506 -11.618 0.172 1.00 0.00 H new ATOM 0 HA ILE A 15 -10.452 -9.054 1.258 1.00 0.00 H new ATOM 0 HB ILE A 15 -10.093 -11.756 2.560 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -12.320 -12.010 2.411 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -12.631 -10.382 2.981 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -10.880 -10.654 4.659 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -9.324 -9.988 4.109 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -10.828 -9.078 3.834 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -13.592 -10.733 0.765 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -12.305 -9.506 0.698 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -11.989 -11.159 0.119 1.00 0.00 H new ATOM 213 N ILE A 16 -8.334 -8.436 2.448 1.00 0.00 N ATOM 214 CA ILE A 16 -7.052 -7.965 2.920 1.00 0.00 C ATOM 215 C ILE A 16 -7.018 -8.076 4.433 1.00 0.00 C ATOM 216 O ILE A 16 -7.832 -7.470 5.127 1.00 0.00 O ATOM 217 CB ILE A 16 -6.794 -6.501 2.468 1.00 0.00 C ATOM 218 CG1 ILE A 16 -5.612 -6.438 1.498 1.00 0.00 C ATOM 219 CG2 ILE A 16 -6.558 -5.573 3.649 1.00 0.00 C ATOM 220 CD1 ILE A 16 -5.314 -5.040 1.000 1.00 0.00 C ATOM 0 H ILE A 16 -9.111 -7.800 2.627 1.00 0.00 H new ATOM 0 HA ILE A 16 -6.261 -8.580 2.490 1.00 0.00 H new ATOM 0 HB ILE A 16 -7.693 -6.158 1.956 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -4.725 -6.836 1.992 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -5.818 -7.083 0.644 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -6.382 -4.560 3.286 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -7.434 -5.579 4.297 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -5.688 -5.913 4.211 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -4.465 -5.070 0.317 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -6.186 -4.646 0.478 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -5.076 -4.395 1.846 1.00 0.00 H new ATOM 232 N ALA A 17 -6.097 -8.880 4.936 1.00 0.00 N ATOM 233 CA ALA A 17 -5.987 -9.092 6.368 1.00 0.00 C ATOM 234 C ALA A 17 -4.608 -8.705 6.882 1.00 0.00 C ATOM 235 O ALA A 17 -3.587 -9.192 6.397 1.00 0.00 O ATOM 236 CB ALA A 17 -6.313 -10.539 6.699 1.00 0.00 C ATOM 0 H ALA A 17 -5.417 -9.395 4.376 1.00 0.00 H new ATOM 0 HA ALA A 17 -6.707 -8.447 6.872 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -6.229 -10.694 7.775 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -7.330 -10.766 6.378 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -5.614 -11.197 6.182 1.00 0.00 H new ATOM 242 N ILE A 18 -4.595 -7.815 7.865 1.00 0.00 N ATOM 243 CA ILE A 18 -3.357 -7.335 8.458 1.00 0.00 C ATOM 244 C ILE A 18 -3.001 -8.142 9.703 1.00 0.00 C ATOM 245 O ILE A 18 -3.871 -8.496 10.496 1.00 0.00 O ATOM 246 CB ILE A 18 -3.476 -5.834 8.806 1.00 0.00 C ATOM 247 CG1 ILE A 18 -3.415 -4.998 7.525 1.00 0.00 C ATOM 248 CG2 ILE A 18 -2.394 -5.398 9.784 1.00 0.00 C ATOM 249 CD1 ILE A 18 -3.902 -3.579 7.703 1.00 0.00 C ATOM 0 H ILE A 18 -5.438 -7.408 8.271 1.00 0.00 H new ATOM 0 HA ILE A 18 -2.557 -7.464 7.729 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.438 -5.673 9.293 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -2.387 -4.977 7.164 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -4.014 -5.485 6.755 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -2.510 -4.337 10.005 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -2.484 -5.973 10.706 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -1.413 -5.572 9.342 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -3.829 -3.048 6.754 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -4.940 -3.590 8.034 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -3.288 -3.075 8.449 1.00 0.00 H new ATOM 261 N ASN A 19 -1.715 -8.436 9.863 1.00 0.00 N ATOM 262 CA ASN A 19 -1.247 -9.206 11.012 1.00 0.00 C ATOM 263 C ASN A 19 -0.115 -8.483 11.732 1.00 0.00 C ATOM 264 O ASN A 19 0.989 -8.355 11.201 1.00 0.00 O ATOM 265 CB ASN A 19 -0.780 -10.592 10.564 1.00 0.00 C ATOM 266 CG ASN A 19 -1.928 -11.471 10.110 1.00 0.00 C ATOM 267 OD1 ASN A 19 -2.783 -11.045 9.333 1.00 0.00 O ATOM 268 ND2 ASN A 19 -1.954 -12.708 10.595 1.00 0.00 N ATOM 0 H ASN A 19 -0.980 -8.154 9.215 1.00 0.00 H new ATOM 0 HA ASN A 19 -2.080 -9.315 11.707 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -0.064 -10.485 9.749 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -0.256 -11.079 11.387 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -2.703 -13.346 10.326 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -1.225 -13.020 11.237 1.00 0.00 H new ATOM 275 N GLU A 20 -0.394 -8.017 12.945 1.00 0.00 N ATOM 276 CA GLU A 20 0.606 -7.312 13.739 1.00 0.00 C ATOM 277 C GLU A 20 1.305 -8.257 14.714 1.00 0.00 C ATOM 278 O GLU A 20 2.118 -7.827 15.531 1.00 0.00 O ATOM 279 CB GLU A 20 -0.041 -6.156 14.503 1.00 0.00 C ATOM 280 CG GLU A 20 -0.700 -5.123 13.603 1.00 0.00 C ATOM 281 CD GLU A 20 -1.277 -3.954 14.377 1.00 0.00 C ATOM 282 OE1 GLU A 20 -1.352 -4.043 15.621 1.00 0.00 O ATOM 283 OE2 GLU A 20 -1.653 -2.948 13.741 1.00 0.00 O ATOM 0 H GLU A 20 -1.302 -8.114 13.399 1.00 0.00 H new ATOM 0 HA GLU A 20 1.356 -6.913 13.055 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.788 -6.557 15.188 1.00 0.00 H new ATOM 0 HB3 GLU A 20 0.718 -5.664 15.111 1.00 0.00 H new ATOM 0 HG2 GLU A 20 0.032 -4.752 12.886 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -1.494 -5.601 13.029 1.00 0.00 H new ATOM 290 N ASP A 21 0.992 -9.546 14.616 1.00 0.00 N ATOM 291 CA ASP A 21 1.603 -10.546 15.479 1.00 0.00 C ATOM 292 C ASP A 21 2.994 -10.910 14.974 1.00 0.00 C ATOM 293 O ASP A 21 3.803 -11.482 15.704 1.00 0.00 O ATOM 294 CB ASP A 21 0.728 -11.799 15.533 1.00 0.00 C ATOM 295 CG ASP A 21 1.186 -12.781 16.595 1.00 0.00 C ATOM 296 OD1 ASP A 21 1.999 -12.389 17.457 1.00 0.00 O ATOM 297 OD2 ASP A 21 0.728 -13.943 16.564 1.00 0.00 O ATOM 0 H ASP A 21 0.319 -9.920 13.947 1.00 0.00 H new ATOM 0 HA ASP A 21 1.692 -10.128 16.481 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -0.304 -11.509 15.731 1.00 0.00 H new ATOM 0 HB3 ASP A 21 0.740 -12.289 14.560 1.00 0.00 H new ATOM 302 N VAL A 22 3.262 -10.573 13.715 1.00 0.00 N ATOM 303 CA VAL A 22 4.551 -10.861 13.105 1.00 0.00 C ATOM 304 C VAL A 22 5.413 -9.606 13.035 1.00 0.00 C ATOM 305 O VAL A 22 4.905 -8.501 12.842 1.00 0.00 O ATOM 306 CB VAL A 22 4.396 -11.444 11.682 1.00 0.00 C ATOM 307 CG1 VAL A 22 4.578 -12.954 11.698 1.00 0.00 C ATOM 308 CG2 VAL A 22 3.050 -11.072 11.071 1.00 0.00 C ATOM 0 H VAL A 22 2.601 -10.100 13.099 1.00 0.00 H new ATOM 0 HA VAL A 22 5.037 -11.605 13.737 1.00 0.00 H new ATOM 0 HB VAL A 22 5.176 -11.007 11.058 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.465 -13.345 10.687 1.00 0.00 H new ATOM 0 HG12 VAL A 22 5.573 -13.197 12.072 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.827 -13.404 12.347 1.00 0.00 H new ATOM 0 HG21 VAL A 22 2.974 -11.498 10.071 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.247 -11.465 11.694 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.965 -9.987 11.011 1.00 0.00 H new ATOM 318 N SER A 23 6.720 -9.783 13.195 1.00 0.00 N ATOM 319 CA SER A 23 7.652 -8.663 13.149 1.00 0.00 C ATOM 320 C SER A 23 8.669 -8.846 12.019 1.00 0.00 C ATOM 321 O SER A 23 9.459 -9.790 12.038 1.00 0.00 O ATOM 322 CB SER A 23 8.377 -8.523 14.488 1.00 0.00 C ATOM 323 OG SER A 23 9.577 -7.781 14.349 1.00 0.00 O ATOM 0 H SER A 23 7.157 -10.690 13.357 1.00 0.00 H new ATOM 0 HA SER A 23 7.082 -7.754 12.956 1.00 0.00 H new ATOM 0 HB2 SER A 23 7.724 -8.030 15.208 1.00 0.00 H new ATOM 0 HB3 SER A 23 8.603 -9.512 14.887 1.00 0.00 H new ATOM 0 HG SER A 23 10.018 -7.706 15.221 1.00 0.00 H new ATOM 329 N PRO A 24 8.667 -7.948 11.013 1.00 0.00 N ATOM 330 CA PRO A 24 7.746 -6.809 10.947 1.00 0.00 C ATOM 331 C PRO A 24 6.351 -7.218 10.489 1.00 0.00 C ATOM 332 O PRO A 24 6.201 -8.106 9.648 1.00 0.00 O ATOM 333 CB PRO A 24 8.402 -5.895 9.914 1.00 0.00 C ATOM 334 CG PRO A 24 9.132 -6.822 9.005 1.00 0.00 C ATOM 335 CD PRO A 24 9.579 -7.983 9.853 1.00 0.00 C ATOM 0 HA PRO A 24 7.597 -6.342 11.921 1.00 0.00 H new ATOM 0 HB2 PRO A 24 7.658 -5.311 9.372 1.00 0.00 H new ATOM 0 HB3 PRO A 24 9.081 -5.186 10.386 1.00 0.00 H new ATOM 0 HG2 PRO A 24 8.487 -7.159 8.194 1.00 0.00 H new ATOM 0 HG3 PRO A 24 9.986 -6.324 8.547 1.00 0.00 H new ATOM 0 HD2 PRO A 24 9.501 -8.926 9.312 1.00 0.00 H new ATOM 0 HD3 PRO A 24 10.620 -7.876 10.160 1.00 0.00 H new ATOM 343 N ALA A 25 5.332 -6.567 11.042 1.00 0.00 N ATOM 344 CA ALA A 25 3.949 -6.865 10.683 1.00 0.00 C ATOM 345 C ALA A 25 3.766 -6.854 9.169 1.00 0.00 C ATOM 346 O ALA A 25 4.487 -6.158 8.453 1.00 0.00 O ATOM 347 CB ALA A 25 3.005 -5.868 11.338 1.00 0.00 C ATOM 0 H ALA A 25 5.437 -5.830 11.740 1.00 0.00 H new ATOM 0 HA ALA A 25 3.710 -7.864 11.048 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.978 -6.104 11.061 1.00 0.00 H new ATOM 0 HB2 ALA A 25 3.111 -5.925 12.421 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.250 -4.860 11.002 1.00 0.00 H new ATOM 353 N GLU A 26 2.808 -7.636 8.681 1.00 0.00 N ATOM 354 CA GLU A 26 2.556 -7.714 7.248 1.00 0.00 C ATOM 355 C GLU A 26 1.062 -7.710 6.933 1.00 0.00 C ATOM 356 O GLU A 26 0.225 -7.915 7.811 1.00 0.00 O ATOM 357 CB GLU A 26 3.201 -8.972 6.666 1.00 0.00 C ATOM 358 CG GLU A 26 4.677 -9.112 7.007 1.00 0.00 C ATOM 359 CD GLU A 26 5.320 -10.307 6.330 1.00 0.00 C ATOM 360 OE1 GLU A 26 5.104 -11.443 6.801 1.00 0.00 O ATOM 361 OE2 GLU A 26 6.040 -10.105 5.330 1.00 0.00 O ATOM 0 H GLU A 26 2.198 -8.220 9.253 1.00 0.00 H new ATOM 0 HA GLU A 26 2.999 -6.829 6.790 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.667 -9.848 7.034 1.00 0.00 H new ATOM 0 HB3 GLU A 26 3.086 -8.961 5.582 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.203 -8.204 6.710 1.00 0.00 H new ATOM 0 HG3 GLU A 26 4.789 -9.207 8.087 1.00 0.00 H new ATOM 368 N LEU A 27 0.749 -7.482 5.663 1.00 0.00 N ATOM 369 CA LEU A 27 -0.628 -7.456 5.188 1.00 0.00 C ATOM 370 C LEU A 27 -0.807 -8.511 4.101 1.00 0.00 C ATOM 371 O LEU A 27 -0.099 -8.500 3.095 1.00 0.00 O ATOM 372 CB LEU A 27 -0.968 -6.064 4.647 1.00 0.00 C ATOM 373 CG LEU A 27 -2.341 -5.925 3.986 1.00 0.00 C ATOM 374 CD1 LEU A 27 -2.770 -4.464 3.958 1.00 0.00 C ATOM 375 CD2 LEU A 27 -2.316 -6.498 2.576 1.00 0.00 C ATOM 0 H LEU A 27 1.442 -7.310 4.935 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.304 -7.678 6.014 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.907 -5.350 5.469 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.206 -5.780 3.921 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.065 -6.489 4.574 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.748 -4.381 3.485 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.826 -4.082 4.977 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.043 -3.882 3.392 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.301 -6.390 2.122 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.580 -5.961 1.978 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.049 -7.554 2.617 1.00 0.00 H new ATOM 387 N THR A 28 -1.736 -9.437 4.317 1.00 0.00 N ATOM 388 CA THR A 28 -1.967 -10.508 3.356 1.00 0.00 C ATOM 389 C THR A 28 -3.328 -10.397 2.677 1.00 0.00 C ATOM 390 O THR A 28 -4.367 -10.356 3.337 1.00 0.00 O ATOM 391 CB THR A 28 -1.847 -11.867 4.046 1.00 0.00 C ATOM 392 OG1 THR A 28 -0.602 -11.981 4.714 1.00 0.00 O ATOM 393 CG2 THR A 28 -1.965 -13.036 3.092 1.00 0.00 C ATOM 0 H THR A 28 -2.336 -9.467 5.141 1.00 0.00 H new ATOM 0 HA THR A 28 -1.205 -10.414 2.582 1.00 0.00 H new ATOM 0 HB THR A 28 -2.679 -11.909 4.749 1.00 0.00 H new ATOM 0 HG1 THR A 28 -0.544 -12.856 5.151 1.00 0.00 H new ATOM 0 HG21 THR A 28 -1.871 -13.969 3.647 1.00 0.00 H new ATOM 0 HG22 THR A 28 -2.935 -13.005 2.596 1.00 0.00 H new ATOM 0 HG23 THR A 28 -1.174 -12.977 2.345 1.00 0.00 H new ATOM 401 N TRP A 29 -3.306 -10.371 1.349 1.00 0.00 N ATOM 402 CA TRP A 29 -4.512 -10.294 0.551 1.00 0.00 C ATOM 403 C TRP A 29 -4.868 -11.675 0.016 1.00 0.00 C ATOM 404 O TRP A 29 -4.032 -12.349 -0.586 1.00 0.00 O ATOM 405 CB TRP A 29 -4.302 -9.327 -0.614 1.00 0.00 C ATOM 406 CG TRP A 29 -5.465 -9.276 -1.547 1.00 0.00 C ATOM 407 CD1 TRP A 29 -6.678 -8.725 -1.290 1.00 0.00 C ATOM 408 CD2 TRP A 29 -5.530 -9.803 -2.875 1.00 0.00 C ATOM 409 NE1 TRP A 29 -7.503 -8.865 -2.380 1.00 0.00 N ATOM 410 CE2 TRP A 29 -6.820 -9.527 -3.368 1.00 0.00 C ATOM 411 CE3 TRP A 29 -4.624 -10.479 -3.695 1.00 0.00 C ATOM 412 CZ2 TRP A 29 -7.224 -9.904 -4.645 1.00 0.00 C ATOM 413 CZ3 TRP A 29 -5.026 -10.854 -4.962 1.00 0.00 C ATOM 414 CH2 TRP A 29 -6.315 -10.565 -5.427 1.00 0.00 C ATOM 0 H TRP A 29 -2.447 -10.403 0.800 1.00 0.00 H new ATOM 0 HA TRP A 29 -5.329 -9.931 1.175 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -4.115 -8.328 -0.220 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -3.411 -9.623 -1.168 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -6.955 -8.246 -0.363 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -8.465 -8.532 -2.444 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -3.627 -10.704 -3.345 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -8.218 -9.683 -5.006 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -4.335 -11.379 -5.605 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -6.598 -10.870 -6.424 1.00 0.00 H new ATOM 425 N ARG A 30 -6.104 -12.098 0.239 1.00 0.00 N ATOM 426 CA ARG A 30 -6.550 -13.408 -0.228 1.00 0.00 C ATOM 427 C ARG A 30 -7.772 -13.285 -1.127 1.00 0.00 C ATOM 428 O ARG A 30 -8.824 -12.813 -0.700 1.00 0.00 O ATOM 429 CB ARG A 30 -6.863 -14.316 0.963 1.00 0.00 C ATOM 430 CG ARG A 30 -7.283 -15.723 0.560 1.00 0.00 C ATOM 431 CD ARG A 30 -6.521 -16.783 1.339 1.00 0.00 C ATOM 432 NE ARG A 30 -7.372 -17.470 2.306 1.00 0.00 N ATOM 433 CZ ARG A 30 -7.695 -16.972 3.498 1.00 0.00 C ATOM 434 NH1 ARG A 30 -7.237 -15.784 3.874 1.00 0.00 N ATOM 435 NH2 ARG A 30 -8.475 -17.664 4.315 1.00 0.00 N ATOM 0 H ARG A 30 -6.813 -11.560 0.736 1.00 0.00 H new ATOM 0 HA ARG A 30 -5.743 -13.850 -0.812 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -5.983 -14.377 1.604 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -7.658 -13.864 1.556 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -8.353 -15.846 0.729 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -7.111 -15.862 -0.507 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -6.101 -17.511 0.645 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -5.683 -16.318 1.859 1.00 0.00 H new ATOM 0 HE ARG A 30 -7.741 -18.387 2.053 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -6.635 -15.248 3.249 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -7.487 -15.407 4.788 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -8.828 -18.578 4.031 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -8.723 -17.283 5.228 1.00 0.00 H new ATOM 449 N SER A 31 -7.628 -13.714 -2.379 1.00 0.00 N ATOM 450 CA SER A 31 -8.722 -13.653 -3.345 1.00 0.00 C ATOM 451 C SER A 31 -10.023 -14.166 -2.733 1.00 0.00 C ATOM 452 O SER A 31 -10.019 -14.773 -1.662 1.00 0.00 O ATOM 453 CB SER A 31 -8.375 -14.471 -4.590 1.00 0.00 C ATOM 454 OG SER A 31 -9.498 -14.606 -5.441 1.00 0.00 O ATOM 0 H SER A 31 -6.763 -14.108 -2.749 1.00 0.00 H new ATOM 0 HA SER A 31 -8.863 -12.610 -3.629 1.00 0.00 H new ATOM 0 HB2 SER A 31 -7.561 -13.988 -5.131 1.00 0.00 H new ATOM 0 HB3 SER A 31 -8.019 -15.458 -4.293 1.00 0.00 H new ATOM 0 HG SER A 31 -9.249 -15.131 -6.230 1.00 0.00 H new ATOM 460 N THR A 32 -11.133 -13.928 -3.423 1.00 0.00 N ATOM 461 CA THR A 32 -12.432 -14.373 -2.950 1.00 0.00 C ATOM 462 C THR A 32 -12.561 -15.871 -3.146 1.00 0.00 C ATOM 463 O THR A 32 -13.050 -16.592 -2.279 1.00 0.00 O ATOM 464 CB THR A 32 -13.551 -13.644 -3.698 1.00 0.00 C ATOM 465 OG1 THR A 32 -13.016 -12.712 -4.621 1.00 0.00 O ATOM 466 CG2 THR A 32 -14.490 -12.894 -2.783 1.00 0.00 C ATOM 0 H THR A 32 -11.156 -13.429 -4.312 1.00 0.00 H new ATOM 0 HA THR A 32 -12.520 -14.142 -1.888 1.00 0.00 H new ATOM 0 HB THR A 32 -14.113 -14.426 -4.209 1.00 0.00 H new ATOM 0 HG1 THR A 32 -13.747 -12.221 -5.051 1.00 0.00 H new ATOM 0 HG21 THR A 32 -15.259 -12.400 -3.377 1.00 0.00 H new ATOM 0 HG22 THR A 32 -14.959 -13.593 -2.091 1.00 0.00 H new ATOM 0 HG23 THR A 32 -13.930 -12.147 -2.220 1.00 0.00 H new ATOM 474 N ASP A 33 -12.105 -16.319 -4.301 1.00 0.00 N ATOM 475 CA ASP A 33 -12.145 -17.726 -4.646 1.00 0.00 C ATOM 476 C ASP A 33 -10.880 -18.443 -4.179 1.00 0.00 C ATOM 477 O ASP A 33 -10.847 -19.671 -4.095 1.00 0.00 O ATOM 478 CB ASP A 33 -12.319 -17.900 -6.156 1.00 0.00 C ATOM 479 CG ASP A 33 -13.660 -17.390 -6.647 1.00 0.00 C ATOM 480 OD1 ASP A 33 -14.566 -17.198 -5.809 1.00 0.00 O ATOM 481 OD2 ASP A 33 -13.805 -17.183 -7.870 1.00 0.00 O ATOM 0 H ASP A 33 -11.699 -15.722 -5.021 1.00 0.00 H new ATOM 0 HA ASP A 33 -12.999 -18.172 -4.136 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -11.520 -17.370 -6.674 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -12.219 -18.955 -6.411 1.00 0.00 H new ATOM 486 N GLY A 34 -9.838 -17.669 -3.878 1.00 0.00 N ATOM 487 CA GLY A 34 -8.587 -18.251 -3.428 1.00 0.00 C ATOM 488 C GLY A 34 -7.669 -18.606 -4.580 1.00 0.00 C ATOM 489 O GLY A 34 -6.926 -19.584 -4.513 1.00 0.00 O ATOM 0 H GLY A 34 -9.840 -16.651 -3.938 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.080 -17.549 -2.766 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -8.796 -19.147 -2.843 1.00 0.00 H new ATOM 493 N ASP A 35 -7.725 -17.810 -5.644 1.00 0.00 N ATOM 494 CA ASP A 35 -6.895 -18.047 -6.820 1.00 0.00 C ATOM 495 C ASP A 35 -5.615 -17.218 -6.777 1.00 0.00 C ATOM 496 O ASP A 35 -4.628 -17.555 -7.431 1.00 0.00 O ATOM 497 CB ASP A 35 -7.681 -17.729 -8.092 1.00 0.00 C ATOM 498 CG ASP A 35 -6.908 -18.077 -9.350 1.00 0.00 C ATOM 499 OD1 ASP A 35 -6.943 -19.256 -9.761 1.00 0.00 O ATOM 500 OD2 ASP A 35 -6.268 -17.171 -9.925 1.00 0.00 O ATOM 0 H ASP A 35 -8.336 -16.996 -5.716 1.00 0.00 H new ATOM 0 HA ASP A 35 -6.614 -19.100 -6.823 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -8.621 -18.280 -8.082 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -7.933 -16.669 -8.105 1.00 0.00 H new ATOM 505 N LYS A 36 -5.634 -16.135 -6.010 1.00 0.00 N ATOM 506 CA LYS A 36 -4.469 -15.265 -5.895 1.00 0.00 C ATOM 507 C LYS A 36 -4.268 -14.792 -4.458 1.00 0.00 C ATOM 508 O LYS A 36 -5.232 -14.523 -3.742 1.00 0.00 O ATOM 509 CB LYS A 36 -4.613 -14.058 -6.822 1.00 0.00 C ATOM 510 CG LYS A 36 -3.791 -14.172 -8.096 1.00 0.00 C ATOM 511 CD LYS A 36 -4.678 -14.240 -9.328 1.00 0.00 C ATOM 512 CE LYS A 36 -4.677 -12.924 -10.090 1.00 0.00 C ATOM 513 NZ LYS A 36 -3.808 -12.982 -11.298 1.00 0.00 N ATOM 0 H LYS A 36 -6.440 -15.838 -5.460 1.00 0.00 H new ATOM 0 HA LYS A 36 -3.593 -15.844 -6.190 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -5.663 -13.936 -7.086 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.313 -13.159 -6.284 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -3.121 -13.316 -8.176 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -3.165 -15.063 -8.048 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.333 -15.041 -9.982 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -5.697 -14.488 -9.031 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -5.696 -12.676 -10.387 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -4.333 -12.125 -9.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -3.835 -12.066 -11.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -2.831 -13.193 -11.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -4.151 -13.727 -11.937 1.00 0.00 H new ATOM 527 N VAL A 37 -3.009 -14.687 -4.050 1.00 0.00 N ATOM 528 CA VAL A 37 -2.673 -14.237 -2.704 1.00 0.00 C ATOM 529 C VAL A 37 -1.473 -13.294 -2.729 1.00 0.00 C ATOM 530 O VAL A 37 -0.498 -13.534 -3.441 1.00 0.00 O ATOM 531 CB VAL A 37 -2.369 -15.426 -1.771 1.00 0.00 C ATOM 532 CG1 VAL A 37 -1.130 -16.177 -2.236 1.00 0.00 C ATOM 533 CG2 VAL A 37 -2.207 -14.951 -0.334 1.00 0.00 C ATOM 0 H VAL A 37 -2.202 -14.908 -4.633 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.542 -13.704 -2.318 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.213 -16.114 -1.810 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.936 -17.011 -1.562 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.292 -16.556 -3.245 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -0.274 -15.503 -2.234 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.993 -15.804 0.309 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.384 -14.238 -0.277 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -3.128 -14.470 -0.004 1.00 0.00 H new ATOM 543 N HIS A 38 -1.549 -12.218 -1.950 1.00 0.00 N ATOM 544 CA HIS A 38 -0.468 -11.239 -1.891 1.00 0.00 C ATOM 545 C HIS A 38 -0.098 -10.912 -0.449 1.00 0.00 C ATOM 546 O HIS A 38 -0.953 -10.887 0.433 1.00 0.00 O ATOM 547 CB HIS A 38 -0.860 -9.958 -2.624 1.00 0.00 C ATOM 548 CG HIS A 38 0.312 -9.136 -3.062 1.00 0.00 C ATOM 549 ND1 HIS A 38 0.681 -7.875 -2.737 1.00 0.00 N flip ATOM 550 CD2 HIS A 38 1.268 -9.598 -3.943 1.00 0.00 C flip ATOM 551 CE1 HIS A 38 1.841 -7.601 -3.419 1.00 0.00 C flip ATOM 552 NE2 HIS A 38 2.174 -8.656 -4.139 1.00 0.00 N flip ATOM 0 H HIS A 38 -2.347 -12.002 -1.352 1.00 0.00 H new ATOM 0 HA HIS A 38 0.400 -11.679 -2.381 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -1.458 -10.218 -3.498 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -1.493 -9.355 -1.972 1.00 0.00 H new ATOM 0 HD2 HIS A 38 1.275 -10.576 -4.401 1.00 0.00 H new ATOM 0 HE1 HIS A 38 2.391 -6.673 -3.374 1.00 0.00 H new ATOM 0 HE2 HIS A 38 2.992 -8.731 -4.744 1.00 0.00 H new ATOM 561 N THR A 39 1.185 -10.660 -0.223 1.00 0.00 N ATOM 562 CA THR A 39 1.679 -10.330 1.109 1.00 0.00 C ATOM 563 C THR A 39 2.522 -9.058 1.079 1.00 0.00 C ATOM 564 O THR A 39 3.357 -8.878 0.192 1.00 0.00 O ATOM 565 CB THR A 39 2.503 -11.489 1.670 1.00 0.00 C ATOM 566 OG1 THR A 39 1.759 -12.694 1.642 1.00 0.00 O ATOM 567 CG2 THR A 39 2.957 -11.263 3.097 1.00 0.00 C ATOM 0 H THR A 39 1.904 -10.678 -0.946 1.00 0.00 H new ATOM 0 HA THR A 39 0.819 -10.157 1.756 1.00 0.00 H new ATOM 0 HB THR A 39 3.383 -11.554 1.030 1.00 0.00 H new ATOM 0 HG1 THR A 39 2.304 -13.424 2.003 1.00 0.00 H new ATOM 0 HG21 THR A 39 3.537 -12.122 3.435 1.00 0.00 H new ATOM 0 HG22 THR A 39 3.576 -10.367 3.144 1.00 0.00 H new ATOM 0 HG23 THR A 39 2.086 -11.137 3.740 1.00 0.00 H new ATOM 575 N VAL A 40 2.299 -8.180 2.052 1.00 0.00 N ATOM 576 CA VAL A 40 3.041 -6.926 2.135 1.00 0.00 C ATOM 577 C VAL A 40 3.614 -6.701 3.523 1.00 0.00 C ATOM 578 O VAL A 40 2.969 -6.980 4.532 1.00 0.00 O ATOM 579 CB VAL A 40 2.180 -5.699 1.786 1.00 0.00 C ATOM 580 CG1 VAL A 40 2.973 -4.417 2.029 1.00 0.00 C ATOM 581 CG2 VAL A 40 1.688 -5.768 0.348 1.00 0.00 C ATOM 0 H VAL A 40 1.611 -8.313 2.793 1.00 0.00 H new ATOM 0 HA VAL A 40 3.843 -7.026 1.403 1.00 0.00 H new ATOM 0 HB VAL A 40 1.304 -5.696 2.435 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.355 -3.554 1.779 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.265 -4.363 3.078 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.866 -4.417 1.404 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.082 -4.889 0.128 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.543 -5.798 -0.328 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.086 -6.667 0.212 1.00 0.00 H new ATOM 591 N VAL A 41 4.817 -6.159 3.560 1.00 0.00 N ATOM 592 CA VAL A 41 5.470 -5.848 4.822 1.00 0.00 C ATOM 593 C VAL A 41 5.021 -4.479 5.306 1.00 0.00 C ATOM 594 O VAL A 41 5.254 -3.469 4.640 1.00 0.00 O ATOM 595 CB VAL A 41 7.011 -5.843 4.714 1.00 0.00 C ATOM 596 CG1 VAL A 41 7.615 -6.834 5.695 1.00 0.00 C ATOM 597 CG2 VAL A 41 7.464 -6.128 3.288 1.00 0.00 C ATOM 0 H VAL A 41 5.364 -5.924 2.731 1.00 0.00 H new ATOM 0 HA VAL A 41 5.183 -6.631 5.524 1.00 0.00 H new ATOM 0 HB VAL A 41 7.369 -4.847 4.975 1.00 0.00 H new ATOM 0 HG11 VAL A 41 8.701 -6.818 5.606 1.00 0.00 H new ATOM 0 HG12 VAL A 41 7.330 -6.560 6.711 1.00 0.00 H new ATOM 0 HG13 VAL A 41 7.247 -7.836 5.473 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.553 -6.118 3.243 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.097 -7.107 2.978 1.00 0.00 H new ATOM 0 HG23 VAL A 41 7.066 -5.364 2.620 1.00 0.00 H new ATOM 607 N LEU A 42 4.381 -4.445 6.462 1.00 0.00 N ATOM 608 CA LEU A 42 3.912 -3.190 7.020 1.00 0.00 C ATOM 609 C LEU A 42 5.085 -2.301 7.414 1.00 0.00 C ATOM 610 O LEU A 42 4.935 -1.088 7.555 1.00 0.00 O ATOM 611 CB LEU A 42 3.001 -3.454 8.220 1.00 0.00 C ATOM 612 CG LEU A 42 1.770 -4.310 7.908 1.00 0.00 C ATOM 613 CD1 LEU A 42 0.791 -4.289 9.071 1.00 0.00 C ATOM 614 CD2 LEU A 42 1.097 -3.832 6.628 1.00 0.00 C ATOM 0 H LEU A 42 4.175 -5.267 7.029 1.00 0.00 H new ATOM 0 HA LEU A 42 3.336 -2.665 6.258 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.582 -3.947 9.000 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.670 -2.498 8.626 1.00 0.00 H new ATOM 0 HG LEU A 42 2.097 -5.339 7.759 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.076 -4.903 8.828 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.277 -4.684 9.963 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.469 -3.264 9.257 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.224 -4.452 6.422 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.785 -2.794 6.747 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.799 -3.907 5.798 1.00 0.00 H new ATOM 626 N SER A 43 6.259 -2.909 7.580 1.00 0.00 N ATOM 627 CA SER A 43 7.454 -2.161 7.947 1.00 0.00 C ATOM 628 C SER A 43 7.888 -1.240 6.809 1.00 0.00 C ATOM 629 O SER A 43 8.539 -0.221 7.037 1.00 0.00 O ATOM 630 CB SER A 43 8.592 -3.115 8.311 1.00 0.00 C ATOM 631 OG SER A 43 9.846 -2.457 8.268 1.00 0.00 O ATOM 0 H SER A 43 6.405 -3.912 7.466 1.00 0.00 H new ATOM 0 HA SER A 43 7.215 -1.549 8.817 1.00 0.00 H new ATOM 0 HB2 SER A 43 8.425 -3.520 9.309 1.00 0.00 H new ATOM 0 HB3 SER A 43 8.597 -3.959 7.621 1.00 0.00 H new ATOM 0 HG SER A 43 10.556 -3.089 8.506 1.00 0.00 H new ATOM 637 N THR A 44 7.519 -1.605 5.586 1.00 0.00 N ATOM 638 CA THR A 44 7.871 -0.805 4.415 1.00 0.00 C ATOM 639 C THR A 44 6.832 0.276 4.167 1.00 0.00 C ATOM 640 O THR A 44 7.161 1.393 3.776 1.00 0.00 O ATOM 641 CB THR A 44 8.020 -1.683 3.161 1.00 0.00 C ATOM 642 OG1 THR A 44 6.865 -1.600 2.343 1.00 0.00 O ATOM 643 CG2 THR A 44 8.252 -3.146 3.462 1.00 0.00 C ATOM 0 H THR A 44 6.979 -2.445 5.379 1.00 0.00 H new ATOM 0 HA THR A 44 8.832 -0.333 4.621 1.00 0.00 H new ATOM 0 HB THR A 44 8.901 -1.290 2.653 1.00 0.00 H new ATOM 0 HG1 THR A 44 6.984 -2.165 1.551 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.347 -3.699 2.528 1.00 0.00 H new ATOM 0 HG22 THR A 44 9.167 -3.257 4.044 1.00 0.00 H new ATOM 0 HG23 THR A 44 7.410 -3.538 4.032 1.00 0.00 H new ATOM 651 N ILE A 45 5.574 -0.066 4.397 1.00 0.00 N ATOM 652 CA ILE A 45 4.481 0.877 4.197 1.00 0.00 C ATOM 653 C ILE A 45 4.682 2.118 5.060 1.00 0.00 C ATOM 654 O ILE A 45 4.212 2.183 6.197 1.00 0.00 O ATOM 655 CB ILE A 45 3.111 0.239 4.518 1.00 0.00 C ATOM 656 CG1 ILE A 45 3.023 -1.171 3.924 1.00 0.00 C ATOM 657 CG2 ILE A 45 1.983 1.112 3.986 1.00 0.00 C ATOM 658 CD1 ILE A 45 3.454 -1.251 2.473 1.00 0.00 C ATOM 0 H ILE A 45 5.283 -0.988 4.722 1.00 0.00 H new ATOM 0 HA ILE A 45 4.487 1.161 3.145 1.00 0.00 H new ATOM 0 HB ILE A 45 3.010 0.163 5.601 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.644 -1.844 4.515 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.996 -1.528 4.009 1.00 0.00 H new ATOM 0 HG21 ILE A 45 1.024 0.650 4.220 1.00 0.00 H new ATOM 0 HG22 ILE A 45 2.034 2.096 4.451 1.00 0.00 H new ATOM 0 HG23 ILE A 45 2.082 1.216 2.905 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.364 -2.279 2.123 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.818 -0.605 1.868 1.00 0.00 H new ATOM 0 HD13 ILE A 45 4.491 -0.926 2.383 1.00 0.00 H new ATOM 670 N ASP A 46 5.403 3.090 4.515 1.00 0.00 N ATOM 671 CA ASP A 46 5.699 4.329 5.229 1.00 0.00 C ATOM 672 C ASP A 46 4.562 5.340 5.104 1.00 0.00 C ATOM 673 O ASP A 46 4.406 6.212 5.959 1.00 0.00 O ATOM 674 CB ASP A 46 6.993 4.945 4.695 1.00 0.00 C ATOM 675 CG ASP A 46 7.749 5.712 5.762 1.00 0.00 C ATOM 676 OD1 ASP A 46 7.521 5.442 6.960 1.00 0.00 O ATOM 677 OD2 ASP A 46 8.569 6.581 5.400 1.00 0.00 O ATOM 0 H ASP A 46 5.796 3.045 3.575 1.00 0.00 H new ATOM 0 HA ASP A 46 5.815 4.081 6.284 1.00 0.00 H new ATOM 0 HB2 ASP A 46 7.631 4.156 4.297 1.00 0.00 H new ATOM 0 HB3 ASP A 46 6.759 5.614 3.867 1.00 0.00 H new ATOM 682 N LYS A 47 3.780 5.234 4.035 1.00 0.00 N ATOM 683 CA LYS A 47 2.677 6.162 3.810 1.00 0.00 C ATOM 684 C LYS A 47 1.353 5.435 3.620 1.00 0.00 C ATOM 685 O LYS A 47 1.317 4.260 3.250 1.00 0.00 O ATOM 686 CB LYS A 47 2.959 7.028 2.583 1.00 0.00 C ATOM 687 CG LYS A 47 4.344 7.653 2.579 1.00 0.00 C ATOM 688 CD LYS A 47 4.630 8.359 1.264 1.00 0.00 C ATOM 689 CE LYS A 47 5.430 9.633 1.477 1.00 0.00 C ATOM 690 NZ LYS A 47 6.577 9.422 2.399 1.00 0.00 N ATOM 0 H LYS A 47 3.888 4.520 3.315 1.00 0.00 H new ATOM 0 HA LYS A 47 2.596 6.790 4.698 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.842 6.420 1.686 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.213 7.821 2.530 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.426 8.364 3.401 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.094 6.881 2.750 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.180 7.689 0.603 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.690 8.598 0.766 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.798 9.995 0.517 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.778 10.408 1.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 7.321 10.119 2.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 6.258 9.537 3.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 6.956 8.462 2.268 1.00 0.00 H new ATOM 704 N LEU A 48 0.263 6.156 3.862 1.00 0.00 N ATOM 705 CA LEU A 48 -1.077 5.609 3.708 1.00 0.00 C ATOM 706 C LEU A 48 -1.951 6.556 2.898 1.00 0.00 C ATOM 707 O LEU A 48 -2.039 7.747 3.196 1.00 0.00 O ATOM 708 CB LEU A 48 -1.712 5.358 5.073 1.00 0.00 C ATOM 709 CG LEU A 48 -1.164 4.147 5.824 1.00 0.00 C ATOM 710 CD1 LEU A 48 -1.941 3.923 7.110 1.00 0.00 C ATOM 711 CD2 LEU A 48 -1.212 2.909 4.943 1.00 0.00 C ATOM 0 H LEU A 48 0.284 7.129 4.168 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.998 4.661 3.176 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.572 6.245 5.691 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.786 5.229 4.940 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.123 4.342 6.083 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.537 3.056 7.633 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -1.853 4.804 7.746 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.991 3.748 6.875 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.818 2.055 5.494 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.243 2.709 4.653 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.609 3.074 4.050 1.00 0.00 H new ATOM 723 N GLN A 49 -2.594 6.017 1.873 1.00 0.00 N ATOM 724 CA GLN A 49 -3.463 6.811 1.015 1.00 0.00 C ATOM 725 C GLN A 49 -4.822 6.145 0.854 1.00 0.00 C ATOM 726 O GLN A 49 -4.910 4.955 0.550 1.00 0.00 O ATOM 727 CB GLN A 49 -2.815 7.014 -0.356 1.00 0.00 C ATOM 728 CG GLN A 49 -3.393 8.184 -1.135 1.00 0.00 C ATOM 729 CD GLN A 49 -2.875 8.252 -2.558 1.00 0.00 C ATOM 730 OE1 GLN A 49 -3.038 7.311 -3.336 1.00 0.00 O ATOM 731 NE2 GLN A 49 -2.249 9.369 -2.906 1.00 0.00 N ATOM 0 H GLN A 49 -2.531 5.032 1.614 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.608 7.783 1.487 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -1.744 7.170 -0.223 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.934 6.103 -0.943 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -4.480 8.103 -1.152 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -3.151 9.113 -0.620 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -2.137 10.123 -2.228 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -1.880 9.474 -3.851 1.00 0.00 H new ATOM 740 N ALA A 50 -5.880 6.918 1.063 1.00 0.00 N ATOM 741 CA ALA A 50 -7.237 6.401 0.943 1.00 0.00 C ATOM 742 C ALA A 50 -8.170 7.448 0.348 1.00 0.00 C ATOM 743 O ALA A 50 -8.110 8.623 0.706 1.00 0.00 O ATOM 744 CB ALA A 50 -7.747 5.943 2.300 1.00 0.00 C ATOM 0 H ALA A 50 -5.825 7.905 1.316 1.00 0.00 H new ATOM 0 HA ALA A 50 -7.218 5.545 0.268 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -8.762 5.559 2.197 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.099 5.156 2.686 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -7.747 6.785 2.992 1.00 0.00 H new ATOM 750 N THR A 51 -9.034 7.014 -0.565 1.00 0.00 N ATOM 751 CA THR A 51 -9.980 7.917 -1.208 1.00 0.00 C ATOM 752 C THR A 51 -11.129 8.265 -0.260 1.00 0.00 C ATOM 753 O THR A 51 -11.783 7.375 0.283 1.00 0.00 O ATOM 754 CB THR A 51 -10.533 7.286 -2.488 1.00 0.00 C ATOM 755 OG1 THR A 51 -11.379 6.193 -2.184 1.00 0.00 O ATOM 756 CG2 THR A 51 -9.455 6.786 -3.425 1.00 0.00 C ATOM 0 H THR A 51 -9.098 6.044 -0.875 1.00 0.00 H new ATOM 0 HA THR A 51 -9.451 8.835 -1.464 1.00 0.00 H new ATOM 0 HB THR A 51 -11.083 8.084 -2.987 1.00 0.00 H new ATOM 0 HG1 THR A 51 -12.296 6.403 -2.459 1.00 0.00 H new ATOM 0 HG21 THR A 51 -9.917 6.351 -4.311 1.00 0.00 H new ATOM 0 HG22 THR A 51 -8.815 7.618 -3.720 1.00 0.00 H new ATOM 0 HG23 THR A 51 -8.856 6.029 -2.919 1.00 0.00 H new ATOM 764 N PRO A 52 -11.389 9.569 -0.044 1.00 0.00 N ATOM 765 CA PRO A 52 -12.463 10.022 0.848 1.00 0.00 C ATOM 766 C PRO A 52 -13.850 9.687 0.307 1.00 0.00 C ATOM 767 O PRO A 52 -14.018 9.433 -0.885 1.00 0.00 O ATOM 768 CB PRO A 52 -12.266 11.539 0.908 1.00 0.00 C ATOM 769 CG PRO A 52 -11.542 11.879 -0.348 1.00 0.00 C ATOM 770 CD PRO A 52 -10.660 10.700 -0.646 1.00 0.00 C ATOM 0 HA PRO A 52 -12.412 9.534 1.821 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -13.222 12.060 0.967 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -11.690 11.829 1.787 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -12.241 12.061 -1.165 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -10.952 12.787 -0.225 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -10.520 10.563 -1.718 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -9.669 10.818 -0.208 1.00 0.00 H new ATOM 778 N ALA A 53 -14.842 9.691 1.194 1.00 0.00 N ATOM 779 CA ALA A 53 -16.215 9.387 0.807 1.00 0.00 C ATOM 780 C ALA A 53 -16.696 10.326 -0.294 1.00 0.00 C ATOM 781 O ALA A 53 -17.334 9.895 -1.254 1.00 0.00 O ATOM 782 CB ALA A 53 -17.134 9.474 2.016 1.00 0.00 C ATOM 0 H ALA A 53 -14.720 9.901 2.185 1.00 0.00 H new ATOM 0 HA ALA A 53 -16.240 8.370 0.417 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -18.156 9.245 1.714 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -16.810 8.758 2.772 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -17.096 10.481 2.431 1.00 0.00 H new ATOM 788 N SER A 54 -16.381 11.611 -0.153 1.00 0.00 N ATOM 789 CA SER A 54 -16.780 12.606 -1.140 1.00 0.00 C ATOM 790 C SER A 54 -16.163 12.295 -2.498 1.00 0.00 C ATOM 791 O SER A 54 -16.714 12.646 -3.541 1.00 0.00 O ATOM 792 CB SER A 54 -16.365 14.006 -0.683 1.00 0.00 C ATOM 793 OG SER A 54 -16.890 14.301 0.599 1.00 0.00 O ATOM 0 H SER A 54 -15.852 11.986 0.634 1.00 0.00 H new ATOM 0 HA SER A 54 -17.865 12.574 -1.237 1.00 0.00 H new ATOM 0 HB2 SER A 54 -15.278 14.076 -0.659 1.00 0.00 H new ATOM 0 HB3 SER A 54 -16.717 14.746 -1.402 1.00 0.00 H new ATOM 0 HG SER A 54 -16.609 15.200 0.869 1.00 0.00 H new ATOM 799 N SER A 55 -15.015 11.630 -2.472 1.00 0.00 N ATOM 800 CA SER A 55 -14.314 11.260 -3.689 1.00 0.00 C ATOM 801 C SER A 55 -14.968 10.055 -4.346 1.00 0.00 C ATOM 802 O SER A 55 -15.071 8.987 -3.745 1.00 0.00 O ATOM 803 CB SER A 55 -12.846 10.954 -3.383 1.00 0.00 C ATOM 804 OG SER A 55 -12.068 12.138 -3.381 1.00 0.00 O ATOM 0 H SER A 55 -14.549 11.335 -1.614 1.00 0.00 H new ATOM 0 HA SER A 55 -14.367 12.101 -4.380 1.00 0.00 H new ATOM 0 HB2 SER A 55 -12.768 10.462 -2.413 1.00 0.00 H new ATOM 0 HB3 SER A 55 -12.454 10.259 -4.125 1.00 0.00 H new ATOM 0 HG SER A 55 -11.117 11.905 -3.341 1.00 0.00 H new ATOM 810 N GLU A 56 -15.394 10.232 -5.592 1.00 0.00 N ATOM 811 CA GLU A 56 -16.021 9.151 -6.340 1.00 0.00 C ATOM 812 C GLU A 56 -15.094 7.940 -6.399 1.00 0.00 C ATOM 813 O GLU A 56 -15.532 6.822 -6.668 1.00 0.00 O ATOM 814 CB GLU A 56 -16.369 9.613 -7.755 1.00 0.00 C ATOM 815 CG GLU A 56 -17.404 10.725 -7.795 1.00 0.00 C ATOM 816 CD GLU A 56 -17.780 11.124 -9.209 1.00 0.00 C ATOM 817 OE1 GLU A 56 -17.070 10.713 -10.151 1.00 0.00 O ATOM 818 OE2 GLU A 56 -18.784 11.848 -9.374 1.00 0.00 O ATOM 0 H GLU A 56 -15.316 11.111 -6.103 1.00 0.00 H new ATOM 0 HA GLU A 56 -16.940 8.866 -5.829 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -15.460 9.956 -8.250 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -16.741 8.762 -8.325 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -18.299 10.402 -7.263 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -17.016 11.596 -7.267 1.00 0.00 H new ATOM 825 N LYS A 57 -13.810 8.175 -6.144 1.00 0.00 N ATOM 826 CA LYS A 57 -12.819 7.107 -6.162 1.00 0.00 C ATOM 827 C LYS A 57 -12.930 6.245 -4.909 1.00 0.00 C ATOM 828 O LYS A 57 -13.165 6.752 -3.813 1.00 0.00 O ATOM 829 CB LYS A 57 -11.410 7.692 -6.271 1.00 0.00 C ATOM 830 CG LYS A 57 -11.112 8.317 -7.624 1.00 0.00 C ATOM 831 CD LYS A 57 -11.769 9.681 -7.764 1.00 0.00 C ATOM 832 CE LYS A 57 -10.859 10.666 -8.480 1.00 0.00 C ATOM 833 NZ LYS A 57 -10.128 11.546 -7.526 1.00 0.00 N ATOM 0 H LYS A 57 -13.433 9.096 -5.923 1.00 0.00 H new ATOM 0 HA LYS A 57 -13.011 6.479 -7.032 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -11.278 8.446 -5.495 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -10.683 6.904 -6.076 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -10.034 8.416 -7.751 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -11.467 7.658 -8.417 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -12.704 9.581 -8.315 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -12.021 10.068 -6.777 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -10.141 10.118 -9.091 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -11.452 11.280 -9.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -9.519 12.202 -8.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -10.812 12.088 -6.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -9.542 10.963 -6.895 1.00 0.00 H new ATOM 847 N MET A 58 -12.764 4.937 -5.082 1.00 0.00 N ATOM 848 CA MET A 58 -12.847 4.000 -3.967 1.00 0.00 C ATOM 849 C MET A 58 -11.650 3.056 -3.965 1.00 0.00 C ATOM 850 O MET A 58 -11.750 1.915 -4.416 1.00 0.00 O ATOM 851 CB MET A 58 -14.143 3.196 -4.055 1.00 0.00 C ATOM 852 CG MET A 58 -15.396 4.054 -4.009 1.00 0.00 C ATOM 853 SD MET A 58 -16.874 3.102 -3.611 1.00 0.00 S ATOM 854 CE MET A 58 -16.346 2.282 -2.110 1.00 0.00 C ATOM 0 H MET A 58 -12.571 4.502 -5.984 1.00 0.00 H new ATOM 0 HA MET A 58 -12.840 4.570 -3.038 1.00 0.00 H new ATOM 0 HB2 MET A 58 -14.141 2.620 -4.980 1.00 0.00 H new ATOM 0 HB3 MET A 58 -14.173 2.480 -3.234 1.00 0.00 H new ATOM 0 HG2 MET A 58 -15.265 4.842 -3.267 1.00 0.00 H new ATOM 0 HG3 MET A 58 -15.532 4.543 -4.973 1.00 0.00 H new ATOM 0 HE1 MET A 58 -17.216 1.887 -1.586 1.00 0.00 H new ATOM 0 HE2 MET A 58 -15.671 1.464 -2.361 1.00 0.00 H new ATOM 0 HE3 MET A 58 -15.829 2.995 -1.468 1.00 0.00 H new ATOM 864 N MET A 59 -10.517 3.535 -3.458 1.00 0.00 N ATOM 865 CA MET A 59 -9.304 2.724 -3.410 1.00 0.00 C ATOM 866 C MET A 59 -8.410 3.120 -2.238 1.00 0.00 C ATOM 867 O MET A 59 -8.619 4.150 -1.598 1.00 0.00 O ATOM 868 CB MET A 59 -8.522 2.864 -4.716 1.00 0.00 C ATOM 869 CG MET A 59 -9.153 2.136 -5.893 1.00 0.00 C ATOM 870 SD MET A 59 -9.893 3.264 -7.092 1.00 0.00 S ATOM 871 CE MET A 59 -8.529 4.388 -7.383 1.00 0.00 C ATOM 0 H MET A 59 -10.414 4.475 -3.077 1.00 0.00 H new ATOM 0 HA MET A 59 -9.609 1.686 -3.273 1.00 0.00 H new ATOM 0 HB2 MET A 59 -8.431 3.922 -4.962 1.00 0.00 H new ATOM 0 HB3 MET A 59 -7.512 2.484 -4.566 1.00 0.00 H new ATOM 0 HG2 MET A 59 -8.395 1.530 -6.390 1.00 0.00 H new ATOM 0 HG3 MET A 59 -9.917 1.451 -5.525 1.00 0.00 H new ATOM 0 HE1 MET A 59 -8.515 4.680 -8.433 1.00 0.00 H new ATOM 0 HE2 MET A 59 -8.650 5.275 -6.762 1.00 0.00 H new ATOM 0 HE3 MET A 59 -7.590 3.894 -7.132 1.00 0.00 H new ATOM 881 N LEU A 60 -7.405 2.290 -1.977 1.00 0.00 N ATOM 882 CA LEU A 60 -6.456 2.533 -0.898 1.00 0.00 C ATOM 883 C LEU A 60 -5.040 2.215 -1.368 1.00 0.00 C ATOM 884 O LEU A 60 -4.769 1.107 -1.832 1.00 0.00 O ATOM 885 CB LEU A 60 -6.805 1.678 0.321 1.00 0.00 C ATOM 886 CG LEU A 60 -6.505 2.324 1.676 1.00 0.00 C ATOM 887 CD1 LEU A 60 -7.775 2.891 2.288 1.00 0.00 C ATOM 888 CD2 LEU A 60 -5.863 1.314 2.616 1.00 0.00 C ATOM 0 H LEU A 60 -7.227 1.435 -2.504 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.511 3.584 -0.615 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.866 1.432 0.281 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.257 0.738 0.255 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.803 3.144 1.520 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -7.543 3.346 3.251 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -8.195 3.645 1.622 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.499 2.089 2.431 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.656 1.790 3.575 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.542 0.474 2.766 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.931 0.954 2.181 1.00 0.00 H new ATOM 900 N ARG A 61 -4.143 3.190 -1.263 1.00 0.00 N ATOM 901 CA ARG A 61 -2.762 2.998 -1.699 1.00 0.00 C ATOM 902 C ARG A 61 -1.767 3.380 -0.606 1.00 0.00 C ATOM 903 O ARG A 61 -1.918 4.407 0.051 1.00 0.00 O ATOM 904 CB ARG A 61 -2.493 3.830 -2.956 1.00 0.00 C ATOM 905 CG ARG A 61 -1.216 3.443 -3.682 1.00 0.00 C ATOM 906 CD ARG A 61 -0.809 4.502 -4.695 1.00 0.00 C ATOM 907 NE ARG A 61 0.290 4.053 -5.545 1.00 0.00 N ATOM 908 CZ ARG A 61 0.623 4.633 -6.696 1.00 0.00 C ATOM 909 NH1 ARG A 61 -0.056 5.687 -7.136 1.00 0.00 N ATOM 910 NH2 ARG A 61 1.635 4.162 -7.408 1.00 0.00 N ATOM 0 H ARG A 61 -4.344 4.115 -0.883 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.627 1.939 -1.920 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.336 3.723 -3.639 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.439 4.883 -2.679 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -0.413 3.302 -2.958 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -1.359 2.489 -4.189 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -1.667 4.757 -5.317 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -0.514 5.411 -4.171 1.00 0.00 H new ATOM 0 HE ARG A 61 0.835 3.247 -5.239 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -0.836 6.055 -6.591 1.00 0.00 H new ATOM 0 HH12 ARG A 61 0.203 6.128 -8.018 1.00 0.00 H new ATOM 0 HH21 ARG A 61 2.161 3.354 -7.075 1.00 0.00 H new ATOM 0 HH22 ARG A 61 1.889 4.607 -8.290 1.00 0.00 H new ATOM 924 N LEU A 62 -0.741 2.550 -0.429 1.00 0.00 N ATOM 925 CA LEU A 62 0.291 2.809 0.573 1.00 0.00 C ATOM 926 C LEU A 62 1.656 2.948 -0.092 1.00 0.00 C ATOM 927 O LEU A 62 1.951 2.258 -1.070 1.00 0.00 O ATOM 928 CB LEU A 62 0.345 1.701 1.637 1.00 0.00 C ATOM 929 CG LEU A 62 -0.664 0.566 1.472 1.00 0.00 C ATOM 930 CD1 LEU A 62 -0.074 -0.765 1.919 1.00 0.00 C ATOM 931 CD2 LEU A 62 -1.943 0.869 2.238 1.00 0.00 C ATOM 0 H LEU A 62 -0.602 1.694 -0.965 1.00 0.00 H new ATOM 0 HA LEU A 62 0.031 3.743 1.070 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.347 1.273 1.637 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.193 2.156 2.616 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.907 0.486 0.412 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.815 -1.553 1.790 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.806 -0.993 1.318 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.210 -0.703 2.970 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.648 0.048 2.107 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.714 0.985 3.297 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.384 1.791 1.859 1.00 0.00 H new ATOM 943 N ILE A 63 2.487 3.837 0.440 1.00 0.00 N ATOM 944 CA ILE A 63 3.820 4.053 -0.111 1.00 0.00 C ATOM 945 C ILE A 63 4.877 3.339 0.722 1.00 0.00 C ATOM 946 O ILE A 63 4.870 3.416 1.951 1.00 0.00 O ATOM 947 CB ILE A 63 4.186 5.552 -0.186 1.00 0.00 C ATOM 948 CG1 ILE A 63 3.050 6.393 -0.796 1.00 0.00 C ATOM 949 CG2 ILE A 63 5.465 5.735 -0.985 1.00 0.00 C ATOM 950 CD1 ILE A 63 2.083 5.615 -1.661 1.00 0.00 C ATOM 0 H ILE A 63 2.263 4.417 1.248 1.00 0.00 H new ATOM 0 HA ILE A 63 3.801 3.645 -1.122 1.00 0.00 H new ATOM 0 HB ILE A 63 4.341 5.906 0.833 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.493 6.867 0.012 1.00 0.00 H new ATOM 0 HG13 ILE A 63 3.488 7.193 -1.393 1.00 0.00 H new ATOM 0 HG21 ILE A 63 5.716 6.795 -1.033 1.00 0.00 H new ATOM 0 HG22 ILE A 63 6.277 5.192 -0.502 1.00 0.00 H new ATOM 0 HG23 ILE A 63 5.321 5.350 -1.995 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.318 6.288 -2.047 1.00 0.00 H new ATOM 0 HD12 ILE A 63 2.622 5.163 -2.493 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.611 4.833 -1.066 1.00 0.00 H new ATOM 962 N GLY A 64 5.788 2.649 0.046 1.00 0.00 N ATOM 963 CA GLY A 64 6.844 1.937 0.742 1.00 0.00 C ATOM 964 C GLY A 64 8.003 2.844 1.105 1.00 0.00 C ATOM 965 O GLY A 64 8.242 3.853 0.440 1.00 0.00 O ATOM 0 H GLY A 64 5.815 2.570 -0.971 1.00 0.00 H new ATOM 0 HA2 GLY A 64 6.440 1.486 1.648 1.00 0.00 H new ATOM 0 HA3 GLY A 64 7.205 1.122 0.115 1.00 0.00 H new ATOM 969 N LYS A 65 8.724 2.488 2.161 1.00 0.00 N ATOM 970 CA LYS A 65 9.863 3.279 2.611 1.00 0.00 C ATOM 971 C LYS A 65 10.921 3.374 1.516 1.00 0.00 C ATOM 972 O LYS A 65 10.908 2.598 0.560 1.00 0.00 O ATOM 973 CB LYS A 65 10.468 2.670 3.878 1.00 0.00 C ATOM 974 CG LYS A 65 9.637 2.928 5.123 1.00 0.00 C ATOM 975 CD LYS A 65 10.339 2.437 6.378 1.00 0.00 C ATOM 976 CE LYS A 65 9.519 2.735 7.623 1.00 0.00 C ATOM 977 NZ LYS A 65 9.542 1.601 8.587 1.00 0.00 N ATOM 0 H LYS A 65 8.540 1.656 2.722 1.00 0.00 H new ATOM 0 HA LYS A 65 9.511 4.285 2.838 1.00 0.00 H new ATOM 0 HB2 LYS A 65 10.578 1.594 3.739 1.00 0.00 H new ATOM 0 HB3 LYS A 65 11.468 3.076 4.026 1.00 0.00 H new ATOM 0 HG2 LYS A 65 9.437 3.996 5.212 1.00 0.00 H new ATOM 0 HG3 LYS A 65 8.672 2.430 5.027 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.513 1.364 6.303 1.00 0.00 H new ATOM 0 HD3 LYS A 65 11.316 2.914 6.461 1.00 0.00 H new ATOM 0 HE2 LYS A 65 9.907 3.631 8.107 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.489 2.948 7.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 8.808 1.744 9.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 9.360 0.711 8.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 10.474 1.554 9.046 1.00 0.00 H new ATOM 991 N VAL A 66 11.832 4.331 1.657 1.00 0.00 N ATOM 992 CA VAL A 66 12.892 4.524 0.673 1.00 0.00 C ATOM 993 C VAL A 66 14.271 4.286 1.289 1.00 0.00 C ATOM 994 O VAL A 66 14.393 3.695 2.361 1.00 0.00 O ATOM 995 CB VAL A 66 12.826 5.944 0.056 1.00 0.00 C ATOM 996 CG1 VAL A 66 13.555 6.963 0.922 1.00 0.00 C ATOM 997 CG2 VAL A 66 13.374 5.946 -1.365 1.00 0.00 C ATOM 0 H VAL A 66 11.858 4.984 2.441 1.00 0.00 H new ATOM 0 HA VAL A 66 12.737 3.791 -0.119 1.00 0.00 H new ATOM 0 HB VAL A 66 11.777 6.237 0.016 1.00 0.00 H new ATOM 0 HG11 VAL A 66 13.489 7.948 0.459 1.00 0.00 H new ATOM 0 HG12 VAL A 66 13.097 6.995 1.910 1.00 0.00 H new ATOM 0 HG13 VAL A 66 14.602 6.677 1.017 1.00 0.00 H new ATOM 0 HG21 VAL A 66 13.317 6.954 -1.776 1.00 0.00 H new ATOM 0 HG22 VAL A 66 14.413 5.617 -1.355 1.00 0.00 H new ATOM 0 HG23 VAL A 66 12.785 5.268 -1.983 1.00 0.00 H new ATOM 1007 N ASP A 67 15.300 4.757 0.599 1.00 0.00 N ATOM 1008 CA ASP A 67 16.675 4.613 1.057 1.00 0.00 C ATOM 1009 C ASP A 67 17.570 5.627 0.354 1.00 0.00 C ATOM 1010 O ASP A 67 18.377 5.272 -0.507 1.00 0.00 O ATOM 1011 CB ASP A 67 17.181 3.194 0.794 1.00 0.00 C ATOM 1012 CG ASP A 67 16.603 2.184 1.767 1.00 0.00 C ATOM 1013 OD1 ASP A 67 16.494 2.512 2.967 1.00 0.00 O ATOM 1014 OD2 ASP A 67 16.260 1.065 1.328 1.00 0.00 O ATOM 0 H ASP A 67 15.206 5.248 -0.290 1.00 0.00 H new ATOM 0 HA ASP A 67 16.705 4.799 2.131 1.00 0.00 H new ATOM 0 HB2 ASP A 67 16.923 2.902 -0.224 1.00 0.00 H new ATOM 0 HB3 ASP A 67 18.269 3.180 0.864 1.00 0.00 H new ATOM 1019 N GLU A 68 17.410 6.897 0.717 1.00 0.00 N ATOM 1020 CA GLU A 68 18.189 7.973 0.114 1.00 0.00 C ATOM 1021 C GLU A 68 19.687 7.719 0.242 1.00 0.00 C ATOM 1022 O GLU A 68 20.486 8.277 -0.511 1.00 0.00 O ATOM 1023 CB GLU A 68 17.830 9.314 0.756 1.00 0.00 C ATOM 1024 CG GLU A 68 16.387 9.731 0.524 1.00 0.00 C ATOM 1025 CD GLU A 68 16.070 11.093 1.113 1.00 0.00 C ATOM 1026 OE1 GLU A 68 16.892 11.604 1.903 1.00 0.00 O ATOM 1027 OE2 GLU A 68 14.999 11.646 0.787 1.00 0.00 O ATOM 0 H GLU A 68 16.746 7.206 1.427 1.00 0.00 H new ATOM 0 HA GLU A 68 17.942 8.005 -0.947 1.00 0.00 H new ATOM 0 HB2 GLU A 68 18.015 9.255 1.829 1.00 0.00 H new ATOM 0 HB3 GLU A 68 18.491 10.085 0.361 1.00 0.00 H new ATOM 0 HG2 GLU A 68 16.185 9.747 -0.547 1.00 0.00 H new ATOM 0 HG3 GLU A 68 15.723 8.986 0.963 1.00 0.00 H new ATOM 1034 N SER A 69 20.066 6.873 1.192 1.00 0.00 N ATOM 1035 CA SER A 69 21.472 6.546 1.407 1.00 0.00 C ATOM 1036 C SER A 69 22.129 6.065 0.115 1.00 0.00 C ATOM 1037 O SER A 69 23.350 6.119 -0.029 1.00 0.00 O ATOM 1038 CB SER A 69 21.609 5.476 2.492 1.00 0.00 C ATOM 1039 OG SER A 69 20.985 5.887 3.696 1.00 0.00 O ATOM 0 H SER A 69 19.421 6.401 1.826 1.00 0.00 H new ATOM 0 HA SER A 69 21.981 7.453 1.733 1.00 0.00 H new ATOM 0 HB2 SER A 69 21.161 4.544 2.147 1.00 0.00 H new ATOM 0 HB3 SER A 69 22.664 5.274 2.676 1.00 0.00 H new ATOM 0 HG SER A 69 21.085 5.185 4.373 1.00 0.00 H new ATOM 1045 N LYS A 70 21.311 5.596 -0.822 1.00 0.00 N ATOM 1046 CA LYS A 70 21.815 5.108 -2.101 1.00 0.00 C ATOM 1047 C LYS A 70 22.199 6.268 -3.015 1.00 0.00 C ATOM 1048 O LYS A 70 23.286 6.283 -3.592 1.00 0.00 O ATOM 1049 CB LYS A 70 20.765 4.233 -2.786 1.00 0.00 C ATOM 1050 CG LYS A 70 20.411 2.980 -2.000 1.00 0.00 C ATOM 1051 CD LYS A 70 20.336 1.759 -2.900 1.00 0.00 C ATOM 1052 CE LYS A 70 19.162 1.847 -3.863 1.00 0.00 C ATOM 1053 NZ LYS A 70 17.992 1.060 -3.384 1.00 0.00 N ATOM 0 H LYS A 70 20.297 5.544 -0.720 1.00 0.00 H new ATOM 0 HA LYS A 70 22.706 4.512 -1.907 1.00 0.00 H new ATOM 0 HB2 LYS A 70 19.861 4.821 -2.943 1.00 0.00 H new ATOM 0 HB3 LYS A 70 21.132 3.943 -3.771 1.00 0.00 H new ATOM 0 HG2 LYS A 70 21.157 2.815 -1.222 1.00 0.00 H new ATOM 0 HG3 LYS A 70 19.454 3.123 -1.498 1.00 0.00 H new ATOM 0 HD2 LYS A 70 21.264 1.664 -3.464 1.00 0.00 H new ATOM 0 HD3 LYS A 70 20.241 0.861 -2.289 1.00 0.00 H new ATOM 0 HE2 LYS A 70 18.872 2.890 -3.987 1.00 0.00 H new ATOM 0 HE3 LYS A 70 19.468 1.482 -4.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 17.213 1.145 -4.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 18.262 0.060 -3.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 17.683 1.424 -2.460 1.00 0.00 H new ATOM 1067 N LYS A 71 21.300 7.238 -3.141 1.00 0.00 N ATOM 1068 CA LYS A 71 21.542 8.403 -3.981 1.00 0.00 C ATOM 1069 C LYS A 71 21.756 7.992 -5.436 1.00 0.00 C ATOM 1070 O LYS A 71 22.875 7.686 -5.846 1.00 0.00 O ATOM 1071 CB LYS A 71 22.755 9.184 -3.476 1.00 0.00 C ATOM 1072 CG LYS A 71 22.391 10.330 -2.547 1.00 0.00 C ATOM 1073 CD LYS A 71 22.700 9.993 -1.098 1.00 0.00 C ATOM 1074 CE LYS A 71 21.789 10.746 -0.143 1.00 0.00 C ATOM 1075 NZ LYS A 71 22.059 10.395 1.279 1.00 0.00 N ATOM 0 H LYS A 71 20.395 7.239 -2.670 1.00 0.00 H new ATOM 0 HA LYS A 71 20.661 9.043 -3.929 1.00 0.00 H new ATOM 0 HB2 LYS A 71 23.425 8.502 -2.954 1.00 0.00 H new ATOM 0 HB3 LYS A 71 23.305 9.579 -4.330 1.00 0.00 H new ATOM 0 HG2 LYS A 71 22.941 11.225 -2.839 1.00 0.00 H new ATOM 0 HG3 LYS A 71 21.331 10.560 -2.650 1.00 0.00 H new ATOM 0 HD2 LYS A 71 22.586 8.920 -0.941 1.00 0.00 H new ATOM 0 HD3 LYS A 71 23.739 10.239 -0.880 1.00 0.00 H new ATOM 0 HE2 LYS A 71 21.924 11.819 -0.284 1.00 0.00 H new ATOM 0 HE3 LYS A 71 20.749 10.521 -0.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 21.791 11.193 1.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 21.503 9.556 1.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 23.072 10.191 1.400 1.00 0.00 H new ATOM 1089 N ARG A 72 20.675 7.990 -6.208 1.00 0.00 N ATOM 1090 CA ARG A 72 20.743 7.619 -7.617 1.00 0.00 C ATOM 1091 C ARG A 72 20.903 8.855 -8.496 1.00 0.00 C ATOM 1092 O ARG A 72 20.149 9.819 -8.368 1.00 0.00 O ATOM 1093 CB ARG A 72 19.488 6.846 -8.020 1.00 0.00 C ATOM 1094 CG ARG A 72 19.535 5.376 -7.641 1.00 0.00 C ATOM 1095 CD ARG A 72 19.034 4.493 -8.771 1.00 0.00 C ATOM 1096 NE ARG A 72 17.578 4.519 -8.879 1.00 0.00 N ATOM 1097 CZ ARG A 72 16.892 3.875 -9.820 1.00 0.00 C ATOM 1098 NH1 ARG A 72 17.525 3.152 -10.735 1.00 0.00 N ATOM 1099 NH2 ARG A 72 15.568 3.953 -9.845 1.00 0.00 N ATOM 0 H ARG A 72 19.742 8.241 -5.882 1.00 0.00 H new ATOM 0 HA ARG A 72 21.615 6.981 -7.761 1.00 0.00 H new ATOM 0 HB2 ARG A 72 18.620 7.307 -7.549 1.00 0.00 H new ATOM 0 HB3 ARG A 72 19.349 6.931 -9.098 1.00 0.00 H new ATOM 0 HG2 ARG A 72 20.558 5.097 -7.386 1.00 0.00 H new ATOM 0 HG3 ARG A 72 18.928 5.209 -6.751 1.00 0.00 H new ATOM 0 HD2 ARG A 72 19.474 4.824 -9.712 1.00 0.00 H new ATOM 0 HD3 ARG A 72 19.367 3.468 -8.606 1.00 0.00 H new ATOM 0 HE ARG A 72 17.056 5.063 -8.192 1.00 0.00 H new ATOM 0 HH11 ARG A 72 18.543 3.088 -10.720 1.00 0.00 H new ATOM 0 HH12 ARG A 72 16.994 2.661 -11.454 1.00 0.00 H new ATOM 0 HH21 ARG A 72 15.076 4.506 -9.143 1.00 0.00 H new ATOM 0 HH22 ARG A 72 15.042 3.460 -10.566 1.00 0.00 H new ATOM 1113 N LYS A 73 21.890 8.820 -9.385 1.00 0.00 N ATOM 1114 CA LYS A 73 22.147 9.941 -10.282 1.00 0.00 C ATOM 1115 C LYS A 73 21.203 9.912 -11.479 1.00 0.00 C ATOM 1116 O LYS A 73 20.836 8.845 -11.970 1.00 0.00 O ATOM 1117 CB LYS A 73 23.598 9.918 -10.761 1.00 0.00 C ATOM 1118 CG LYS A 73 24.609 10.143 -9.649 1.00 0.00 C ATOM 1119 CD LYS A 73 24.765 11.621 -9.329 1.00 0.00 C ATOM 1120 CE LYS A 73 25.950 11.869 -8.409 1.00 0.00 C ATOM 1121 NZ LYS A 73 27.235 11.444 -9.030 1.00 0.00 N ATOM 0 H LYS A 73 22.524 8.030 -9.504 1.00 0.00 H new ATOM 0 HA LYS A 73 21.970 10.862 -9.727 1.00 0.00 H new ATOM 0 HB2 LYS A 73 23.800 8.958 -11.236 1.00 0.00 H new ATOM 0 HB3 LYS A 73 23.732 10.685 -11.524 1.00 0.00 H new ATOM 0 HG2 LYS A 73 24.292 9.607 -8.754 1.00 0.00 H new ATOM 0 HG3 LYS A 73 25.574 9.730 -9.944 1.00 0.00 H new ATOM 0 HD2 LYS A 73 24.897 12.183 -10.254 1.00 0.00 H new ATOM 0 HD3 LYS A 73 23.854 11.991 -8.859 1.00 0.00 H new ATOM 0 HE2 LYS A 73 26.000 12.929 -8.160 1.00 0.00 H new ATOM 0 HE3 LYS A 73 25.803 11.329 -7.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 28.024 11.945 -8.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 27.358 10.419 -8.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 27.222 11.672 -10.045 1.00 0.00 H new ATOM 1135 N ASP A 74 20.814 11.095 -11.942 1.00 0.00 N ATOM 1136 CA ASP A 74 19.912 11.213 -13.082 1.00 0.00 C ATOM 1137 C ASP A 74 20.694 11.345 -14.385 1.00 0.00 C ATOM 1138 O ASP A 74 21.925 11.346 -14.386 1.00 0.00 O ATOM 1139 CB ASP A 74 18.989 12.421 -12.905 1.00 0.00 C ATOM 1140 CG ASP A 74 17.604 12.176 -13.471 1.00 0.00 C ATOM 1141 OD1 ASP A 74 17.471 11.311 -14.363 1.00 0.00 O ATOM 1142 OD2 ASP A 74 16.652 12.849 -13.023 1.00 0.00 O ATOM 0 H ASP A 74 21.110 11.987 -11.545 1.00 0.00 H new ATOM 0 HA ASP A 74 19.309 10.306 -13.131 1.00 0.00 H new ATOM 0 HB2 ASP A 74 18.908 12.661 -11.845 1.00 0.00 H new ATOM 0 HB3 ASP A 74 19.431 13.288 -13.396 1.00 0.00 H new ATOM 1147 N ASN A 75 19.969 11.456 -15.494 1.00 0.00 N ATOM 1148 CA ASN A 75 20.590 11.588 -16.807 1.00 0.00 C ATOM 1149 C ASN A 75 21.371 12.894 -16.923 1.00 0.00 C ATOM 1150 O ASN A 75 22.230 13.037 -17.792 1.00 0.00 O ATOM 1151 CB ASN A 75 19.527 11.518 -17.905 1.00 0.00 C ATOM 1152 CG ASN A 75 18.744 10.221 -17.871 1.00 0.00 C ATOM 1153 OD1 ASN A 75 17.514 10.224 -17.893 1.00 0.00 O ATOM 1154 ND2 ASN A 75 19.457 9.100 -17.816 1.00 0.00 N ATOM 0 H ASN A 75 18.949 11.457 -15.509 1.00 0.00 H new ATOM 0 HA ASN A 75 21.290 10.761 -16.929 1.00 0.00 H new ATOM 0 HB2 ASN A 75 18.840 12.357 -17.795 1.00 0.00 H new ATOM 0 HB3 ASN A 75 20.007 11.624 -18.878 1.00 0.00 H new ATOM 0 HD21 ASN A 75 18.985 8.196 -17.790 1.00 0.00 H new ATOM 0 HD22 ASN A 75 20.476 9.144 -17.800 1.00 0.00 H new ATOM 1161 N GLU A 76 21.070 13.846 -16.044 1.00 0.00 N ATOM 1162 CA GLU A 76 21.749 15.137 -16.055 1.00 0.00 C ATOM 1163 C GLU A 76 23.022 15.101 -15.211 1.00 0.00 C ATOM 1164 O GLU A 76 23.757 16.087 -15.143 1.00 0.00 O ATOM 1165 CB GLU A 76 20.813 16.231 -15.539 1.00 0.00 C ATOM 1166 CG GLU A 76 19.679 16.559 -16.495 1.00 0.00 C ATOM 1167 CD GLU A 76 20.165 17.194 -17.783 1.00 0.00 C ATOM 1168 OE1 GLU A 76 21.313 17.683 -17.806 1.00 0.00 O ATOM 1169 OE2 GLU A 76 19.396 17.203 -18.768 1.00 0.00 O ATOM 0 H GLU A 76 20.362 13.748 -15.317 1.00 0.00 H new ATOM 0 HA GLU A 76 22.029 15.359 -17.085 1.00 0.00 H new ATOM 0 HB2 GLU A 76 20.393 15.918 -14.583 1.00 0.00 H new ATOM 0 HB3 GLU A 76 21.392 17.135 -15.351 1.00 0.00 H new ATOM 0 HG2 GLU A 76 19.131 15.646 -16.729 1.00 0.00 H new ATOM 0 HG3 GLU A 76 18.979 17.234 -16.003 1.00 0.00 H new ATOM 1176 N GLY A 77 23.280 13.964 -14.569 1.00 0.00 N ATOM 1177 CA GLY A 77 24.464 13.833 -13.742 1.00 0.00 C ATOM 1178 C GLY A 77 24.235 14.294 -12.314 1.00 0.00 C ATOM 1179 O GLY A 77 25.179 14.387 -11.530 1.00 0.00 O ATOM 0 H GLY A 77 22.690 13.133 -14.608 1.00 0.00 H new ATOM 0 HA2 GLY A 77 24.785 12.791 -13.736 1.00 0.00 H new ATOM 0 HA3 GLY A 77 25.275 14.414 -14.181 1.00 0.00 H new ATOM 1183 N ASN A 78 22.981 14.583 -11.972 1.00 0.00 N ATOM 1184 CA ASN A 78 22.645 15.035 -10.626 1.00 0.00 C ATOM 1185 C ASN A 78 21.957 13.927 -9.835 1.00 0.00 C ATOM 1186 O ASN A 78 21.210 13.124 -10.392 1.00 0.00 O ATOM 1187 CB ASN A 78 21.745 16.270 -10.689 1.00 0.00 C ATOM 1188 CG ASN A 78 20.404 15.978 -11.336 1.00 0.00 C ATOM 1189 OD1 ASN A 78 19.650 15.122 -10.870 1.00 0.00 O ATOM 1190 ND2 ASN A 78 20.101 16.689 -12.415 1.00 0.00 N ATOM 0 H ASN A 78 22.185 14.512 -12.606 1.00 0.00 H new ATOM 0 HA ASN A 78 23.572 15.297 -10.116 1.00 0.00 H new ATOM 0 HB2 ASN A 78 21.583 16.650 -9.680 1.00 0.00 H new ATOM 0 HB3 ASN A 78 22.251 17.057 -11.248 1.00 0.00 H new ATOM 0 HD21 ASN A 78 19.213 16.537 -12.893 1.00 0.00 H new ATOM 0 HD22 ASN A 78 20.756 17.388 -12.766 1.00 0.00 H new ATOM 1197 N GLU A 79 22.214 13.894 -8.533 1.00 0.00 N ATOM 1198 CA GLU A 79 21.621 12.887 -7.662 1.00 0.00 C ATOM 1199 C GLU A 79 20.133 13.153 -7.456 1.00 0.00 C ATOM 1200 O GLU A 79 19.703 14.303 -7.374 1.00 0.00 O ATOM 1201 CB GLU A 79 22.337 12.864 -6.309 1.00 0.00 C ATOM 1202 CG GLU A 79 23.811 12.507 -6.409 1.00 0.00 C ATOM 1203 CD GLU A 79 24.483 12.428 -5.052 1.00 0.00 C ATOM 1204 OE1 GLU A 79 24.755 13.495 -4.462 1.00 0.00 O ATOM 1205 OE2 GLU A 79 24.738 11.300 -4.581 1.00 0.00 O ATOM 0 H GLU A 79 22.830 14.553 -8.057 1.00 0.00 H new ATOM 0 HA GLU A 79 21.736 11.916 -8.143 1.00 0.00 H new ATOM 0 HB2 GLU A 79 22.239 13.842 -5.839 1.00 0.00 H new ATOM 0 HB3 GLU A 79 21.841 12.146 -5.656 1.00 0.00 H new ATOM 0 HG2 GLU A 79 23.916 11.549 -6.919 1.00 0.00 H new ATOM 0 HG3 GLU A 79 24.321 13.251 -7.021 1.00 0.00 H new ATOM 1212 N VAL A 80 19.352 12.080 -7.373 1.00 0.00 N ATOM 1213 CA VAL A 80 17.912 12.196 -7.176 1.00 0.00 C ATOM 1214 C VAL A 80 17.407 11.155 -6.187 1.00 0.00 C ATOM 1215 O VAL A 80 18.042 10.122 -5.981 1.00 0.00 O ATOM 1216 CB VAL A 80 17.139 12.030 -8.506 1.00 0.00 C ATOM 1217 CG1 VAL A 80 17.817 12.812 -9.620 1.00 0.00 C ATOM 1218 CG2 VAL A 80 17.004 10.556 -8.882 1.00 0.00 C ATOM 0 H VAL A 80 19.693 11.121 -7.439 1.00 0.00 H new ATOM 0 HA VAL A 80 17.733 13.196 -6.780 1.00 0.00 H new ATOM 0 HB VAL A 80 16.136 12.432 -8.366 1.00 0.00 H new ATOM 0 HG11 VAL A 80 17.259 12.683 -10.547 1.00 0.00 H new ATOM 0 HG12 VAL A 80 17.845 13.870 -9.357 1.00 0.00 H new ATOM 0 HG13 VAL A 80 18.834 12.445 -9.755 1.00 0.00 H new ATOM 0 HG21 VAL A 80 16.457 10.469 -9.821 1.00 0.00 H new ATOM 0 HG22 VAL A 80 17.995 10.118 -8.998 1.00 0.00 H new ATOM 0 HG23 VAL A 80 16.463 10.028 -8.096 1.00 0.00 H new ATOM 1228 N VAL A 81 16.247 11.421 -5.602 1.00 0.00 N ATOM 1229 CA VAL A 81 15.640 10.491 -4.663 1.00 0.00 C ATOM 1230 C VAL A 81 14.858 9.435 -5.437 1.00 0.00 C ATOM 1231 O VAL A 81 13.832 9.739 -6.045 1.00 0.00 O ATOM 1232 CB VAL A 81 14.694 11.207 -3.682 1.00 0.00 C ATOM 1233 CG1 VAL A 81 14.181 10.237 -2.629 1.00 0.00 C ATOM 1234 CG2 VAL A 81 15.396 12.390 -3.029 1.00 0.00 C ATOM 0 H VAL A 81 15.709 12.273 -5.762 1.00 0.00 H new ATOM 0 HA VAL A 81 16.438 10.028 -4.083 1.00 0.00 H new ATOM 0 HB VAL A 81 13.839 11.585 -4.243 1.00 0.00 H new ATOM 0 HG11 VAL A 81 13.514 10.762 -1.945 1.00 0.00 H new ATOM 0 HG12 VAL A 81 13.638 9.426 -3.115 1.00 0.00 H new ATOM 0 HG13 VAL A 81 15.023 9.827 -2.071 1.00 0.00 H new ATOM 0 HG21 VAL A 81 14.712 12.884 -2.339 1.00 0.00 H new ATOM 0 HG22 VAL A 81 16.271 12.038 -2.482 1.00 0.00 H new ATOM 0 HG23 VAL A 81 15.709 13.097 -3.797 1.00 0.00 H new ATOM 1244 N PRO A 82 15.337 8.178 -5.450 1.00 0.00 N ATOM 1245 CA PRO A 82 14.675 7.099 -6.182 1.00 0.00 C ATOM 1246 C PRO A 82 13.170 7.058 -5.939 1.00 0.00 C ATOM 1247 O PRO A 82 12.653 7.748 -5.059 1.00 0.00 O ATOM 1248 CB PRO A 82 15.344 5.842 -5.632 1.00 0.00 C ATOM 1249 CG PRO A 82 16.708 6.289 -5.233 1.00 0.00 C ATOM 1250 CD PRO A 82 16.564 7.714 -4.771 1.00 0.00 C ATOM 0 HA PRO A 82 14.776 7.218 -7.261 1.00 0.00 H new ATOM 0 HB2 PRO A 82 14.794 5.439 -4.782 1.00 0.00 H new ATOM 0 HB3 PRO A 82 15.389 5.055 -6.384 1.00 0.00 H new ATOM 0 HG2 PRO A 82 17.106 5.660 -4.437 1.00 0.00 H new ATOM 0 HG3 PRO A 82 17.401 6.220 -6.071 1.00 0.00 H new ATOM 0 HD2 PRO A 82 16.470 7.776 -3.687 1.00 0.00 H new ATOM 0 HD3 PRO A 82 17.429 8.315 -5.051 1.00 0.00 H new ATOM 1258 N LYS A 83 12.470 6.247 -6.728 1.00 0.00 N ATOM 1259 CA LYS A 83 11.023 6.115 -6.604 1.00 0.00 C ATOM 1260 C LYS A 83 10.652 5.000 -5.633 1.00 0.00 C ATOM 1261 O LYS A 83 10.586 3.829 -6.007 1.00 0.00 O ATOM 1262 CB LYS A 83 10.398 5.841 -7.974 1.00 0.00 C ATOM 1263 CG LYS A 83 10.271 7.081 -8.843 1.00 0.00 C ATOM 1264 CD LYS A 83 9.307 8.090 -8.240 1.00 0.00 C ATOM 1265 CE LYS A 83 10.038 9.149 -7.431 1.00 0.00 C ATOM 1266 NZ LYS A 83 9.401 9.375 -6.105 1.00 0.00 N ATOM 0 H LYS A 83 12.883 5.671 -7.461 1.00 0.00 H new ATOM 0 HA LYS A 83 10.633 7.054 -6.211 1.00 0.00 H new ATOM 0 HB2 LYS A 83 11.002 5.100 -8.498 1.00 0.00 H new ATOM 0 HB3 LYS A 83 9.410 5.404 -7.832 1.00 0.00 H new ATOM 0 HG2 LYS A 83 11.251 7.542 -8.966 1.00 0.00 H new ATOM 0 HG3 LYS A 83 9.926 6.796 -9.837 1.00 0.00 H new ATOM 0 HD2 LYS A 83 8.736 8.569 -9.036 1.00 0.00 H new ATOM 0 HD3 LYS A 83 8.591 7.573 -7.601 1.00 0.00 H new ATOM 0 HE2 LYS A 83 11.075 8.845 -7.288 1.00 0.00 H new ATOM 0 HE3 LYS A 83 10.055 10.085 -7.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 10.137 9.449 -5.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 8.849 10.256 -6.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 8.771 8.578 -5.882 1.00 0.00 H new ATOM 1280 N PRO A 84 10.391 5.360 -4.366 1.00 0.00 N ATOM 1281 CA PRO A 84 10.006 4.408 -3.319 1.00 0.00 C ATOM 1282 C PRO A 84 8.925 3.437 -3.786 1.00 0.00 C ATOM 1283 O PRO A 84 8.230 3.691 -4.768 1.00 0.00 O ATOM 1284 CB PRO A 84 9.466 5.313 -2.197 1.00 0.00 C ATOM 1285 CG PRO A 84 9.362 6.672 -2.808 1.00 0.00 C ATOM 1286 CD PRO A 84 10.431 6.727 -3.841 1.00 0.00 C ATOM 0 HA PRO A 84 10.841 3.778 -3.014 1.00 0.00 H new ATOM 0 HB2 PRO A 84 8.496 4.965 -1.843 1.00 0.00 H new ATOM 0 HB3 PRO A 84 10.136 5.318 -1.337 1.00 0.00 H new ATOM 0 HG2 PRO A 84 8.379 6.828 -3.252 1.00 0.00 H new ATOM 0 HG3 PRO A 84 9.501 7.451 -2.058 1.00 0.00 H new ATOM 0 HD2 PRO A 84 10.221 7.470 -4.611 1.00 0.00 H new ATOM 0 HD3 PRO A 84 11.403 6.976 -3.415 1.00 0.00 H new ATOM 1294 N GLN A 85 8.785 2.324 -3.070 1.00 0.00 N ATOM 1295 CA GLN A 85 7.785 1.319 -3.408 1.00 0.00 C ATOM 1296 C GLN A 85 6.376 1.879 -3.227 1.00 0.00 C ATOM 1297 O GLN A 85 6.179 2.867 -2.522 1.00 0.00 O ATOM 1298 CB GLN A 85 7.970 0.071 -2.541 1.00 0.00 C ATOM 1299 CG GLN A 85 8.372 -1.164 -3.330 1.00 0.00 C ATOM 1300 CD GLN A 85 7.420 -1.459 -4.473 1.00 0.00 C ATOM 1301 OE1 GLN A 85 6.201 -1.447 -4.300 1.00 0.00 O ATOM 1302 NE2 GLN A 85 7.974 -1.729 -5.649 1.00 0.00 N ATOM 0 H GLN A 85 9.352 2.097 -2.253 1.00 0.00 H new ATOM 0 HA GLN A 85 7.917 1.044 -4.454 1.00 0.00 H new ATOM 0 HB2 GLN A 85 8.730 0.273 -1.786 1.00 0.00 H new ATOM 0 HB3 GLN A 85 7.040 -0.134 -2.011 1.00 0.00 H new ATOM 0 HG2 GLN A 85 9.378 -1.026 -3.726 1.00 0.00 H new ATOM 0 HG3 GLN A 85 8.408 -2.023 -2.660 1.00 0.00 H new ATOM 0 HE21 GLN A 85 8.989 -1.728 -5.747 1.00 0.00 H new ATOM 0 HE22 GLN A 85 7.384 -1.938 -6.455 1.00 0.00 H new ATOM 1311 N ARG A 86 5.402 1.246 -3.872 1.00 0.00 N ATOM 1312 CA ARG A 86 4.016 1.690 -3.778 1.00 0.00 C ATOM 1313 C ARG A 86 3.047 0.542 -4.056 1.00 0.00 C ATOM 1314 O ARG A 86 3.206 -0.196 -5.028 1.00 0.00 O ATOM 1315 CB ARG A 86 3.761 2.835 -4.761 1.00 0.00 C ATOM 1316 CG ARG A 86 4.003 4.213 -4.164 1.00 0.00 C ATOM 1317 CD ARG A 86 4.952 5.035 -5.021 1.00 0.00 C ATOM 1318 NE ARG A 86 4.363 5.390 -6.308 1.00 0.00 N ATOM 1319 CZ ARG A 86 5.071 5.763 -7.373 1.00 0.00 C ATOM 1320 NH1 ARG A 86 6.394 5.834 -7.305 1.00 0.00 N ATOM 1321 NH2 ARG A 86 4.454 6.065 -8.506 1.00 0.00 N ATOM 0 H ARG A 86 5.546 0.427 -4.463 1.00 0.00 H new ATOM 0 HA ARG A 86 3.845 2.042 -2.761 1.00 0.00 H new ATOM 0 HB2 ARG A 86 4.405 2.707 -5.631 1.00 0.00 H new ATOM 0 HB3 ARG A 86 2.732 2.777 -5.115 1.00 0.00 H new ATOM 0 HG2 ARG A 86 3.053 4.739 -4.065 1.00 0.00 H new ATOM 0 HG3 ARG A 86 4.416 4.108 -3.161 1.00 0.00 H new ATOM 0 HD2 ARG A 86 5.228 5.944 -4.486 1.00 0.00 H new ATOM 0 HD3 ARG A 86 5.870 4.472 -5.186 1.00 0.00 H new ATOM 0 HE ARG A 86 3.348 5.350 -6.398 1.00 0.00 H new ATOM 0 HH11 ARG A 86 6.873 5.602 -6.435 1.00 0.00 H new ATOM 0 HH12 ARG A 86 6.932 6.120 -8.123 1.00 0.00 H new ATOM 0 HH21 ARG A 86 3.437 6.012 -8.563 1.00 0.00 H new ATOM 0 HH22 ARG A 86 4.996 6.351 -9.321 1.00 0.00 H new ATOM 1335 N HIS A 87 2.038 0.408 -3.200 1.00 0.00 N ATOM 1336 CA HIS A 87 1.036 -0.640 -3.352 1.00 0.00 C ATOM 1337 C HIS A 87 -0.347 -0.026 -3.550 1.00 0.00 C ATOM 1338 O HIS A 87 -0.736 0.889 -2.827 1.00 0.00 O ATOM 1339 CB HIS A 87 1.031 -1.557 -2.127 1.00 0.00 C ATOM 1340 CG HIS A 87 2.344 -2.232 -1.881 1.00 0.00 C ATOM 1341 ND1 HIS A 87 2.779 -3.320 -2.609 1.00 0.00 N ATOM 1342 CD2 HIS A 87 3.321 -1.967 -0.982 1.00 0.00 C ATOM 1343 CE1 HIS A 87 3.966 -3.696 -2.167 1.00 0.00 C ATOM 1344 NE2 HIS A 87 4.318 -2.891 -1.182 1.00 0.00 N ATOM 0 H HIS A 87 1.893 1.014 -2.392 1.00 0.00 H new ATOM 0 HA HIS A 87 1.288 -1.232 -4.232 1.00 0.00 H new ATOM 0 HB2 HIS A 87 0.761 -0.973 -1.247 1.00 0.00 H new ATOM 0 HB3 HIS A 87 0.259 -2.316 -2.255 1.00 0.00 H new ATOM 0 HD2 HIS A 87 3.317 -1.177 -0.245 1.00 0.00 H new ATOM 0 HE1 HIS A 87 4.549 -4.522 -2.547 1.00 0.00 H new ATOM 0 HE2 HIS A 87 5.189 -2.946 -0.655 1.00 0.00 H new ATOM 1353 N MET A 88 -1.084 -0.531 -4.537 1.00 0.00 N ATOM 1354 CA MET A 88 -2.419 -0.015 -4.826 1.00 0.00 C ATOM 1355 C MET A 88 -3.494 -1.059 -4.544 1.00 0.00 C ATOM 1356 O MET A 88 -3.342 -2.233 -4.883 1.00 0.00 O ATOM 1357 CB MET A 88 -2.508 0.438 -6.284 1.00 0.00 C ATOM 1358 CG MET A 88 -3.838 1.084 -6.638 1.00 0.00 C ATOM 1359 SD MET A 88 -3.998 1.426 -8.401 1.00 0.00 S ATOM 1360 CE MET A 88 -5.593 2.243 -8.444 1.00 0.00 C ATOM 0 H MET A 88 -0.782 -1.291 -5.146 1.00 0.00 H new ATOM 0 HA MET A 88 -2.593 0.838 -4.170 1.00 0.00 H new ATOM 0 HB2 MET A 88 -1.704 1.146 -6.486 1.00 0.00 H new ATOM 0 HB3 MET A 88 -2.346 -0.422 -6.934 1.00 0.00 H new ATOM 0 HG2 MET A 88 -4.650 0.429 -6.324 1.00 0.00 H new ATOM 0 HG3 MET A 88 -3.945 2.014 -6.080 1.00 0.00 H new ATOM 0 HE1 MET A 88 -5.964 2.263 -9.469 1.00 0.00 H new ATOM 0 HE2 MET A 88 -6.297 1.700 -7.813 1.00 0.00 H new ATOM 0 HE3 MET A 88 -5.489 3.264 -8.076 1.00 0.00 H new ATOM 1370 N PHE A 89 -4.583 -0.616 -3.925 1.00 0.00 N ATOM 1371 CA PHE A 89 -5.696 -1.500 -3.598 1.00 0.00 C ATOM 1372 C PHE A 89 -7.027 -0.802 -3.860 1.00 0.00 C ATOM 1373 O PHE A 89 -7.124 0.422 -3.772 1.00 0.00 O ATOM 1374 CB PHE A 89 -5.615 -1.939 -2.135 1.00 0.00 C ATOM 1375 CG PHE A 89 -4.380 -2.730 -1.812 1.00 0.00 C ATOM 1376 CD1 PHE A 89 -4.339 -4.098 -2.038 1.00 0.00 C ATOM 1377 CD2 PHE A 89 -3.260 -2.109 -1.285 1.00 0.00 C ATOM 1378 CE1 PHE A 89 -3.204 -4.828 -1.743 1.00 0.00 C ATOM 1379 CE2 PHE A 89 -2.122 -2.834 -0.987 1.00 0.00 C ATOM 1380 CZ PHE A 89 -2.094 -4.197 -1.218 1.00 0.00 C ATOM 0 H PHE A 89 -4.719 0.354 -3.639 1.00 0.00 H new ATOM 0 HA PHE A 89 -5.632 -2.382 -4.235 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -5.648 -1.056 -1.497 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -6.493 -2.538 -1.895 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -5.204 -4.598 -2.449 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -3.276 -1.044 -1.105 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -3.185 -5.893 -1.923 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -1.256 -2.337 -0.575 1.00 0.00 H new ATOM 0 HZ PHE A 89 -1.206 -4.767 -0.988 1.00 0.00 H new ATOM 1390 N SER A 90 -8.052 -1.585 -4.182 1.00 0.00 N ATOM 1391 CA SER A 90 -9.377 -1.034 -4.456 1.00 0.00 C ATOM 1392 C SER A 90 -10.424 -1.654 -3.538 1.00 0.00 C ATOM 1393 O SER A 90 -10.445 -2.865 -3.336 1.00 0.00 O ATOM 1394 CB SER A 90 -9.757 -1.270 -5.919 1.00 0.00 C ATOM 1395 OG SER A 90 -8.611 -1.539 -6.709 1.00 0.00 O ATOM 0 H SER A 90 -7.992 -2.600 -4.260 1.00 0.00 H new ATOM 0 HA SER A 90 -9.345 0.039 -4.266 1.00 0.00 H new ATOM 0 HB2 SER A 90 -10.453 -2.106 -5.986 1.00 0.00 H new ATOM 0 HB3 SER A 90 -10.274 -0.393 -6.309 1.00 0.00 H new ATOM 0 HG SER A 90 -8.882 -1.688 -7.639 1.00 0.00 H new ATOM 1401 N PHE A 91 -11.293 -0.816 -2.983 1.00 0.00 N ATOM 1402 CA PHE A 91 -12.340 -1.291 -2.085 1.00 0.00 C ATOM 1403 C PHE A 91 -13.707 -0.773 -2.519 1.00 0.00 C ATOM 1404 O PHE A 91 -13.806 0.210 -3.251 1.00 0.00 O ATOM 1405 CB PHE A 91 -12.054 -0.846 -0.651 1.00 0.00 C ATOM 1406 CG PHE A 91 -10.674 -1.195 -0.170 1.00 0.00 C ATOM 1407 CD1 PHE A 91 -9.557 -0.609 -0.744 1.00 0.00 C ATOM 1408 CD2 PHE A 91 -10.495 -2.106 0.860 1.00 0.00 C ATOM 1409 CE1 PHE A 91 -8.288 -0.925 -0.300 1.00 0.00 C ATOM 1410 CE2 PHE A 91 -9.226 -2.425 1.307 1.00 0.00 C ATOM 1411 CZ PHE A 91 -8.121 -1.834 0.727 1.00 0.00 C ATOM 0 H PHE A 91 -11.294 0.192 -3.138 1.00 0.00 H new ATOM 0 HA PHE A 91 -12.350 -2.380 -2.128 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -12.190 0.233 -0.582 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -12.787 -1.303 0.014 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -9.680 0.102 -1.547 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -11.356 -2.571 1.318 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -7.426 -0.461 -0.756 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -9.099 -3.136 2.110 1.00 0.00 H new ATOM 0 HZ PHE A 91 -7.129 -2.082 1.075 1.00 0.00 H new ATOM 1421 N ASN A 92 -14.759 -1.439 -2.052 1.00 0.00 N ATOM 1422 CA ASN A 92 -16.122 -1.041 -2.382 1.00 0.00 C ATOM 1423 C ASN A 92 -16.846 -0.475 -1.160 1.00 0.00 C ATOM 1424 O ASN A 92 -18.056 -0.255 -1.195 1.00 0.00 O ATOM 1425 CB ASN A 92 -16.904 -2.227 -2.938 1.00 0.00 C ATOM 1426 CG ASN A 92 -16.277 -2.799 -4.193 1.00 0.00 C ATOM 1427 OD1 ASN A 92 -15.479 -2.138 -4.860 1.00 0.00 O ATOM 1428 ND2 ASN A 92 -16.633 -4.034 -4.523 1.00 0.00 N ATOM 0 H ASN A 92 -14.693 -2.256 -1.445 1.00 0.00 H new ATOM 0 HA ASN A 92 -16.063 -0.260 -3.141 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -16.964 -3.006 -2.178 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -17.925 -1.915 -3.156 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -16.242 -4.472 -5.357 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -17.297 -4.546 -3.942 1.00 0.00 H new ATOM 1435 N ASN A 93 -16.100 -0.241 -0.084 1.00 0.00 N ATOM 1436 CA ASN A 93 -16.675 0.299 1.142 1.00 0.00 C ATOM 1437 C ASN A 93 -15.721 1.296 1.789 1.00 0.00 C ATOM 1438 O ASN A 93 -14.691 0.913 2.344 1.00 0.00 O ATOM 1439 CB ASN A 93 -16.995 -0.831 2.122 1.00 0.00 C ATOM 1440 CG ASN A 93 -17.906 -0.379 3.247 1.00 0.00 C ATOM 1441 OD1 ASN A 93 -18.136 0.817 3.433 1.00 0.00 O ATOM 1442 ND2 ASN A 93 -18.428 -1.336 4.006 1.00 0.00 N ATOM 0 H ASN A 93 -15.096 -0.417 -0.037 1.00 0.00 H new ATOM 0 HA ASN A 93 -17.599 0.817 0.887 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -17.467 -1.653 1.583 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -16.067 -1.217 2.543 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -19.047 -1.093 4.779 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -18.210 -2.314 3.815 1.00 0.00 H new ATOM 1449 N ARG A 94 -16.070 2.577 1.712 1.00 0.00 N ATOM 1450 CA ARG A 94 -15.243 3.636 2.286 1.00 0.00 C ATOM 1451 C ARG A 94 -14.846 3.311 3.721 1.00 0.00 C ATOM 1452 O ARG A 94 -13.783 3.716 4.191 1.00 0.00 O ATOM 1453 CB ARG A 94 -15.988 4.973 2.241 1.00 0.00 C ATOM 1454 CG ARG A 94 -15.081 6.171 2.023 1.00 0.00 C ATOM 1455 CD ARG A 94 -14.178 6.415 3.224 1.00 0.00 C ATOM 1456 NE ARG A 94 -14.907 6.314 4.486 1.00 0.00 N ATOM 1457 CZ ARG A 94 -15.658 7.291 4.989 1.00 0.00 C ATOM 1458 NH1 ARG A 94 -15.783 8.442 4.341 1.00 0.00 N ATOM 1459 NH2 ARG A 94 -16.284 7.117 6.145 1.00 0.00 N ATOM 0 H ARG A 94 -16.921 2.908 1.257 1.00 0.00 H new ATOM 0 HA ARG A 94 -14.334 3.710 1.690 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -16.729 4.939 1.442 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -16.533 5.107 3.175 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -14.470 6.009 1.135 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -15.687 7.058 1.836 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -13.363 5.692 3.217 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -13.727 7.404 3.144 1.00 0.00 H new ATOM 0 HE ARG A 94 -14.836 5.443 5.013 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -15.302 8.582 3.452 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -16.360 9.187 4.731 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -16.190 6.235 6.648 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -16.860 7.865 6.531 1.00 0.00 H new ATOM 1473 N THR A 95 -15.709 2.580 4.409 1.00 0.00 N ATOM 1474 CA THR A 95 -15.475 2.196 5.778 1.00 0.00 C ATOM 1475 C THR A 95 -14.411 1.108 5.878 1.00 0.00 C ATOM 1476 O THR A 95 -13.415 1.266 6.586 1.00 0.00 O ATOM 1477 CB THR A 95 -16.784 1.715 6.375 1.00 0.00 C ATOM 1478 OG1 THR A 95 -17.881 2.107 5.568 1.00 0.00 O ATOM 1479 CG2 THR A 95 -17.030 2.238 7.763 1.00 0.00 C ATOM 0 H THR A 95 -16.591 2.239 4.026 1.00 0.00 H new ATOM 0 HA THR A 95 -15.105 3.059 6.332 1.00 0.00 H new ATOM 0 HB THR A 95 -16.698 0.629 6.421 1.00 0.00 H new ATOM 0 HG1 THR A 95 -18.123 1.373 4.966 1.00 0.00 H new ATOM 0 HG21 THR A 95 -17.982 1.857 8.132 1.00 0.00 H new ATOM 0 HG22 THR A 95 -16.227 1.910 8.423 1.00 0.00 H new ATOM 0 HG23 THR A 95 -17.059 3.327 7.741 1.00 0.00 H new ATOM 1487 N VAL A 96 -14.622 0.005 5.166 1.00 0.00 N ATOM 1488 CA VAL A 96 -13.670 -1.099 5.182 1.00 0.00 C ATOM 1489 C VAL A 96 -12.281 -0.617 4.793 1.00 0.00 C ATOM 1490 O VAL A 96 -11.297 -0.910 5.473 1.00 0.00 O ATOM 1491 CB VAL A 96 -14.100 -2.233 4.229 1.00 0.00 C ATOM 1492 CG1 VAL A 96 -13.120 -3.396 4.295 1.00 0.00 C ATOM 1493 CG2 VAL A 96 -15.512 -2.696 4.554 1.00 0.00 C ATOM 0 H VAL A 96 -15.439 -0.147 4.574 1.00 0.00 H new ATOM 0 HA VAL A 96 -13.649 -1.489 6.200 1.00 0.00 H new ATOM 0 HB VAL A 96 -14.093 -1.845 3.210 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -13.444 -4.184 3.615 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -12.127 -3.052 4.006 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -13.087 -3.786 5.312 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -15.799 -3.496 3.872 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -15.547 -3.063 5.580 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -16.203 -1.860 4.444 1.00 0.00 H new ATOM 1503 N MET A 97 -12.210 0.138 3.705 1.00 0.00 N ATOM 1504 CA MET A 97 -10.940 0.674 3.243 1.00 0.00 C ATOM 1505 C MET A 97 -10.376 1.635 4.278 1.00 0.00 C ATOM 1506 O MET A 97 -9.169 1.667 4.523 1.00 0.00 O ATOM 1507 CB MET A 97 -11.117 1.385 1.902 1.00 0.00 C ATOM 1508 CG MET A 97 -11.999 2.619 1.971 1.00 0.00 C ATOM 1509 SD MET A 97 -12.084 3.491 0.396 1.00 0.00 S ATOM 1510 CE MET A 97 -10.799 4.714 0.626 1.00 0.00 C ATOM 0 H MET A 97 -13.013 0.391 3.129 1.00 0.00 H new ATOM 0 HA MET A 97 -10.240 -0.150 3.106 1.00 0.00 H new ATOM 0 HB2 MET A 97 -10.137 1.672 1.522 1.00 0.00 H new ATOM 0 HB3 MET A 97 -11.544 0.685 1.184 1.00 0.00 H new ATOM 0 HG2 MET A 97 -13.004 2.328 2.277 1.00 0.00 H new ATOM 0 HG3 MET A 97 -11.616 3.294 2.737 1.00 0.00 H new ATOM 0 HE1 MET A 97 -10.919 5.510 -0.108 1.00 0.00 H new ATOM 0 HE2 MET A 97 -10.870 5.132 1.630 1.00 0.00 H new ATOM 0 HE3 MET A 97 -9.823 4.245 0.497 1.00 0.00 H new ATOM 1520 N ASP A 98 -11.263 2.406 4.898 1.00 0.00 N ATOM 1521 CA ASP A 98 -10.858 3.357 5.921 1.00 0.00 C ATOM 1522 C ASP A 98 -10.213 2.632 7.092 1.00 0.00 C ATOM 1523 O ASP A 98 -9.285 3.141 7.719 1.00 0.00 O ATOM 1524 CB ASP A 98 -12.057 4.174 6.404 1.00 0.00 C ATOM 1525 CG ASP A 98 -12.206 5.482 5.652 1.00 0.00 C ATOM 1526 OD1 ASP A 98 -11.602 5.616 4.566 1.00 0.00 O ATOM 1527 OD2 ASP A 98 -12.927 6.373 6.148 1.00 0.00 O ATOM 0 H ASP A 98 -12.265 2.389 4.709 1.00 0.00 H new ATOM 0 HA ASP A 98 -10.128 4.039 5.484 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -12.966 3.585 6.286 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -11.947 4.381 7.469 1.00 0.00 H new ATOM 1532 N ASN A 99 -10.709 1.435 7.373 1.00 0.00 N ATOM 1533 CA ASN A 99 -10.179 0.628 8.465 1.00 0.00 C ATOM 1534 C ASN A 99 -8.753 0.183 8.161 1.00 0.00 C ATOM 1535 O ASN A 99 -7.890 0.197 9.034 1.00 0.00 O ATOM 1536 CB ASN A 99 -11.068 -0.593 8.708 1.00 0.00 C ATOM 1537 CG ASN A 99 -12.486 -0.210 9.082 1.00 0.00 C ATOM 1538 OD1 ASN A 99 -12.713 0.792 9.762 1.00 0.00 O ATOM 1539 ND2 ASN A 99 -13.452 -1.007 8.640 1.00 0.00 N ATOM 0 H ASN A 99 -11.477 1.001 6.861 1.00 0.00 H new ATOM 0 HA ASN A 99 -10.168 1.240 9.367 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -11.086 -1.210 7.810 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -10.637 -1.200 9.504 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -14.426 -0.799 8.861 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -13.220 -1.827 8.079 1.00 0.00 H new ATOM 1546 N ILE A 100 -8.515 -0.210 6.913 1.00 0.00 N ATOM 1547 CA ILE A 100 -7.194 -0.657 6.489 1.00 0.00 C ATOM 1548 C ILE A 100 -6.165 0.451 6.664 1.00 0.00 C ATOM 1549 O ILE A 100 -5.123 0.256 7.291 1.00 0.00 O ATOM 1550 CB ILE A 100 -7.205 -1.106 5.012 1.00 0.00 C ATOM 1551 CG1 ILE A 100 -8.273 -2.177 4.790 1.00 0.00 C ATOM 1552 CG2 ILE A 100 -5.837 -1.621 4.592 1.00 0.00 C ATOM 1553 CD1 ILE A 100 -7.958 -3.489 5.472 1.00 0.00 C ATOM 0 H ILE A 100 -9.221 -0.228 6.177 1.00 0.00 H new ATOM 0 HA ILE A 100 -6.923 -1.505 7.117 1.00 0.00 H new ATOM 0 HB ILE A 100 -7.445 -0.241 4.393 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -9.230 -1.806 5.156 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -8.386 -2.350 3.720 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -5.870 -1.931 3.548 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -5.098 -0.829 4.712 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -5.562 -2.472 5.215 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -8.757 -4.203 5.273 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -7.016 -3.882 5.088 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -7.873 -3.329 6.547 1.00 0.00 H new ATOM 1565 N LYS A 101 -6.470 1.618 6.113 1.00 0.00 N ATOM 1566 CA LYS A 101 -5.583 2.767 6.211 1.00 0.00 C ATOM 1567 C LYS A 101 -5.502 3.250 7.656 1.00 0.00 C ATOM 1568 O LYS A 101 -4.497 3.818 8.080 1.00 0.00 O ATOM 1569 CB LYS A 101 -6.082 3.883 5.288 1.00 0.00 C ATOM 1570 CG LYS A 101 -5.430 5.239 5.519 1.00 0.00 C ATOM 1571 CD LYS A 101 -6.471 6.343 5.573 1.00 0.00 C ATOM 1572 CE LYS A 101 -7.051 6.495 6.970 1.00 0.00 C ATOM 1573 NZ LYS A 101 -6.440 7.637 7.705 1.00 0.00 N ATOM 0 H LYS A 101 -7.329 1.793 5.592 1.00 0.00 H new ATOM 0 HA LYS A 101 -4.581 2.477 5.896 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -5.911 3.584 4.254 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -7.160 3.987 5.416 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -4.866 5.221 6.451 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -4.718 5.445 4.720 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -6.020 7.285 5.261 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -7.272 6.124 4.867 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -8.129 6.643 6.901 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -6.891 5.575 7.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -7.139 8.042 8.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -5.615 7.302 8.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -6.139 8.365 7.026 1.00 0.00 H new ATOM 1587 N MET A 102 -6.568 3.009 8.405 1.00 0.00 N ATOM 1588 CA MET A 102 -6.626 3.409 9.806 1.00 0.00 C ATOM 1589 C MET A 102 -5.837 2.440 10.676 1.00 0.00 C ATOM 1590 O MET A 102 -5.188 2.847 11.640 1.00 0.00 O ATOM 1591 CB MET A 102 -8.075 3.484 10.289 1.00 0.00 C ATOM 1592 CG MET A 102 -8.734 4.830 10.031 1.00 0.00 C ATOM 1593 SD MET A 102 -10.288 5.026 10.925 1.00 0.00 S ATOM 1594 CE MET A 102 -11.256 3.694 10.220 1.00 0.00 C ATOM 0 H MET A 102 -7.407 2.538 8.067 1.00 0.00 H new ATOM 0 HA MET A 102 -6.178 4.399 9.891 1.00 0.00 H new ATOM 0 HB2 MET A 102 -8.655 2.704 9.795 1.00 0.00 H new ATOM 0 HB3 MET A 102 -8.104 3.274 11.358 1.00 0.00 H new ATOM 0 HG2 MET A 102 -8.049 5.627 10.321 1.00 0.00 H new ATOM 0 HG3 MET A 102 -8.918 4.941 8.962 1.00 0.00 H new ATOM 0 HE1 MET A 102 -12.315 3.945 10.276 1.00 0.00 H new ATOM 0 HE2 MET A 102 -10.972 3.550 9.178 1.00 0.00 H new ATOM 0 HE3 MET A 102 -11.071 2.775 10.777 1.00 0.00 H new ATOM 1604 N THR A 103 -5.890 1.156 10.331 1.00 0.00 N ATOM 1605 CA THR A 103 -5.171 0.146 11.090 1.00 0.00 C ATOM 1606 C THR A 103 -3.695 0.136 10.702 1.00 0.00 C ATOM 1607 O THR A 103 -2.821 -0.007 11.557 1.00 0.00 O ATOM 1608 CB THR A 103 -5.810 -1.225 10.872 1.00 0.00 C ATOM 1609 OG1 THR A 103 -6.384 -1.705 12.073 1.00 0.00 O ATOM 1610 CG2 THR A 103 -4.836 -2.260 10.385 1.00 0.00 C ATOM 0 H THR A 103 -6.420 0.796 9.537 1.00 0.00 H new ATOM 0 HA THR A 103 -5.234 0.387 12.151 1.00 0.00 H new ATOM 0 HB THR A 103 -6.570 -1.074 10.105 1.00 0.00 H new ATOM 0 HG1 THR A 103 -6.569 -2.664 11.987 1.00 0.00 H new ATOM 0 HG21 THR A 103 -5.352 -3.210 10.250 1.00 0.00 H new ATOM 0 HG22 THR A 103 -4.410 -1.940 9.434 1.00 0.00 H new ATOM 0 HG23 THR A 103 -4.038 -2.381 11.117 1.00 0.00 H new ATOM 1618 N LEU A 104 -3.424 0.294 9.412 1.00 0.00 N ATOM 1619 CA LEU A 104 -2.052 0.308 8.919 1.00 0.00 C ATOM 1620 C LEU A 104 -1.259 1.441 9.560 1.00 0.00 C ATOM 1621 O LEU A 104 -0.069 1.298 9.839 1.00 0.00 O ATOM 1622 CB LEU A 104 -2.036 0.452 7.397 1.00 0.00 C ATOM 1623 CG LEU A 104 -2.282 -0.843 6.623 1.00 0.00 C ATOM 1624 CD1 LEU A 104 -2.454 -0.554 5.138 1.00 0.00 C ATOM 1625 CD2 LEU A 104 -1.141 -1.825 6.848 1.00 0.00 C ATOM 0 H LEU A 104 -4.134 0.414 8.690 1.00 0.00 H new ATOM 0 HA LEU A 104 -1.583 -0.638 9.190 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -2.794 1.180 7.108 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -1.071 0.860 7.096 1.00 0.00 H new ATOM 0 HG LEU A 104 -3.202 -1.295 6.993 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -2.628 -1.488 4.603 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -3.305 0.111 4.993 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -1.552 -0.078 4.753 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -1.334 -2.741 6.289 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -0.206 -1.381 6.506 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -1.065 -2.057 7.910 1.00 0.00 H new ATOM 1637 N GLN A 105 -1.927 2.566 9.795 1.00 0.00 N ATOM 1638 CA GLN A 105 -1.283 3.722 10.405 1.00 0.00 C ATOM 1639 C GLN A 105 -0.771 3.383 11.798 1.00 0.00 C ATOM 1640 O GLN A 105 0.242 3.917 12.247 1.00 0.00 O ATOM 1641 CB GLN A 105 -2.258 4.901 10.473 1.00 0.00 C ATOM 1642 CG GLN A 105 -1.885 6.051 9.555 1.00 0.00 C ATOM 1643 CD GLN A 105 -3.099 6.750 8.973 1.00 0.00 C ATOM 1644 OE1 GLN A 105 -4.236 6.338 9.200 1.00 0.00 O ATOM 1645 NE2 GLN A 105 -2.862 7.816 8.216 1.00 0.00 N ATOM 0 H GLN A 105 -2.913 2.701 9.572 1.00 0.00 H new ATOM 0 HA GLN A 105 -0.432 4.004 9.785 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -3.257 4.551 10.215 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -2.303 5.266 11.499 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -1.285 6.773 10.109 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -1.262 5.676 8.743 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -1.903 8.123 8.054 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -3.639 8.327 7.797 1.00 0.00 H new ATOM 1654 N GLN A 106 -1.482 2.492 12.472 1.00 0.00 N ATOM 1655 CA GLN A 106 -1.106 2.073 13.816 1.00 0.00 C ATOM 1656 C GLN A 106 0.223 1.320 13.805 1.00 0.00 C ATOM 1657 O GLN A 106 0.958 1.328 14.794 1.00 0.00 O ATOM 1658 CB GLN A 106 -2.199 1.190 14.420 1.00 0.00 C ATOM 1659 CG GLN A 106 -3.518 1.915 14.631 1.00 0.00 C ATOM 1660 CD GLN A 106 -4.605 1.001 15.163 1.00 0.00 C ATOM 1661 OE1 GLN A 106 -4.496 -0.224 15.090 1.00 0.00 O ATOM 1662 NE2 GLN A 106 -5.664 1.593 15.704 1.00 0.00 N ATOM 0 H GLN A 106 -2.324 2.044 12.111 1.00 0.00 H new ATOM 0 HA GLN A 106 -0.989 2.968 14.427 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -2.365 0.333 13.767 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -1.852 0.799 15.376 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -3.368 2.740 15.328 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -3.844 2.351 13.687 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -5.714 2.611 15.744 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -6.427 1.030 16.079 1.00 0.00 H new ATOM 1671 N ILE A 107 0.522 0.669 12.686 1.00 0.00 N ATOM 1672 CA ILE A 107 1.758 -0.095 12.554 1.00 0.00 C ATOM 1673 C ILE A 107 2.942 0.805 12.219 1.00 0.00 C ATOM 1674 O ILE A 107 4.018 0.665 12.802 1.00 0.00 O ATOM 1675 CB ILE A 107 1.623 -1.196 11.481 1.00 0.00 C ATOM 1676 CG1 ILE A 107 0.479 -2.148 11.842 1.00 0.00 C ATOM 1677 CG2 ILE A 107 2.931 -1.964 11.332 1.00 0.00 C ATOM 1678 CD1 ILE A 107 -0.579 -2.256 10.768 1.00 0.00 C ATOM 0 H ILE A 107 -0.074 0.655 11.858 1.00 0.00 H new ATOM 0 HA ILE A 107 1.943 -0.564 13.520 1.00 0.00 H new ATOM 0 HB ILE A 107 1.395 -0.723 10.526 1.00 0.00 H new ATOM 0 HG12 ILE A 107 0.890 -3.139 12.037 1.00 0.00 H new ATOM 0 HG13 ILE A 107 0.013 -1.808 12.767 1.00 0.00 H new ATOM 0 HG21 ILE A 107 2.815 -2.736 10.571 1.00 0.00 H new ATOM 0 HG22 ILE A 107 3.724 -1.278 11.035 1.00 0.00 H new ATOM 0 HG23 ILE A 107 3.190 -2.429 12.283 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -1.357 -2.947 11.092 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -1.017 -1.274 10.589 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -0.127 -2.625 9.848 1.00 0.00 H new ATOM 1690 N ILE A 108 2.747 1.737 11.289 1.00 0.00 N ATOM 1691 CA ILE A 108 3.821 2.655 10.911 1.00 0.00 C ATOM 1692 C ILE A 108 4.284 3.416 12.130 1.00 0.00 C ATOM 1693 O ILE A 108 5.437 3.319 12.552 1.00 0.00 O ATOM 1694 CB ILE A 108 3.385 3.688 9.852 1.00 0.00 C ATOM 1695 CG1 ILE A 108 2.436 3.077 8.827 1.00 0.00 C ATOM 1696 CG2 ILE A 108 4.604 4.276 9.161 1.00 0.00 C ATOM 1697 CD1 ILE A 108 1.509 4.096 8.208 1.00 0.00 C ATOM 0 H ILE A 108 1.869 1.877 10.789 1.00 0.00 H new ATOM 0 HA ILE A 108 4.617 2.043 10.486 1.00 0.00 H new ATOM 0 HB ILE A 108 2.846 4.485 10.365 1.00 0.00 H new ATOM 0 HG12 ILE A 108 3.018 2.597 8.040 1.00 0.00 H new ATOM 0 HG13 ILE A 108 1.844 2.297 9.306 1.00 0.00 H new ATOM 0 HG21 ILE A 108 4.284 5.004 8.416 1.00 0.00 H new ATOM 0 HG22 ILE A 108 5.239 4.767 9.899 1.00 0.00 H new ATOM 0 HG23 ILE A 108 5.165 3.479 8.673 1.00 0.00 H new ATOM 0 HD11 ILE A 108 0.857 3.604 7.487 1.00 0.00 H new ATOM 0 HD12 ILE A 108 0.904 4.558 8.988 1.00 0.00 H new ATOM 0 HD13 ILE A 108 2.096 4.862 7.702 1.00 0.00 H new ATOM 1709 N SER A 109 3.355 4.161 12.694 1.00 0.00 N ATOM 1710 CA SER A 109 3.625 4.950 13.890 1.00 0.00 C ATOM 1711 C SER A 109 4.312 4.093 14.947 1.00 0.00 C ATOM 1712 O SER A 109 5.119 4.582 15.737 1.00 0.00 O ATOM 1713 CB SER A 109 2.327 5.526 14.453 1.00 0.00 C ATOM 1714 OG SER A 109 1.278 4.575 14.396 1.00 0.00 O ATOM 0 H SER A 109 2.400 4.240 12.345 1.00 0.00 H new ATOM 0 HA SER A 109 4.286 5.772 13.616 1.00 0.00 H new ATOM 0 HB2 SER A 109 2.482 5.839 15.486 1.00 0.00 H new ATOM 0 HB3 SER A 109 2.046 6.416 13.889 1.00 0.00 H new ATOM 0 HG SER A 109 0.762 4.706 13.573 1.00 0.00 H new ATOM 1720 N ARG A 110 3.986 2.807 14.940 1.00 0.00 N ATOM 1721 CA ARG A 110 4.570 1.863 15.885 1.00 0.00 C ATOM 1722 C ARG A 110 6.076 1.783 15.698 1.00 0.00 C ATOM 1723 O ARG A 110 6.837 1.747 16.667 1.00 0.00 O ATOM 1724 CB ARG A 110 3.945 0.477 15.701 1.00 0.00 C ATOM 1725 CG ARG A 110 3.236 -0.043 16.939 1.00 0.00 C ATOM 1726 CD ARG A 110 3.060 -1.552 16.883 1.00 0.00 C ATOM 1727 NE ARG A 110 2.232 -2.047 17.981 1.00 0.00 N ATOM 1728 CZ ARG A 110 2.648 -2.135 19.241 1.00 0.00 C ATOM 1729 NH1 ARG A 110 3.878 -1.762 19.570 1.00 0.00 N ATOM 1730 NH2 ARG A 110 1.831 -2.598 20.179 1.00 0.00 N ATOM 0 H ARG A 110 3.319 2.393 14.289 1.00 0.00 H new ATOM 0 HA ARG A 110 4.363 2.215 16.896 1.00 0.00 H new ATOM 0 HB2 ARG A 110 3.234 0.516 14.876 1.00 0.00 H new ATOM 0 HB3 ARG A 110 4.726 -0.229 15.417 1.00 0.00 H new ATOM 0 HG2 ARG A 110 3.807 0.226 17.828 1.00 0.00 H new ATOM 0 HG3 ARG A 110 2.261 0.436 17.030 1.00 0.00 H new ATOM 0 HD2 ARG A 110 2.605 -1.829 15.932 1.00 0.00 H new ATOM 0 HD3 ARG A 110 4.038 -2.033 16.921 1.00 0.00 H new ATOM 0 HE ARG A 110 1.279 -2.342 17.768 1.00 0.00 H new ATOM 0 HH11 ARG A 110 4.511 -1.405 18.854 1.00 0.00 H new ATOM 0 HH12 ARG A 110 4.190 -1.832 20.538 1.00 0.00 H new ATOM 0 HH21 ARG A 110 0.884 -2.886 19.933 1.00 0.00 H new ATOM 0 HH22 ARG A 110 2.150 -2.665 21.145 1.00 0.00 H new ATOM 1744 N TYR A 111 6.495 1.763 14.444 1.00 0.00 N ATOM 1745 CA TYR A 111 7.913 1.693 14.110 1.00 0.00 C ATOM 1746 C TYR A 111 8.527 3.087 14.103 1.00 0.00 C ATOM 1747 O TYR A 111 9.714 3.257 14.384 1.00 0.00 O ATOM 1748 CB TYR A 111 8.105 1.019 12.751 1.00 0.00 C ATOM 1749 CG TYR A 111 7.738 -0.448 12.754 1.00 0.00 C ATOM 1750 CD1 TYR A 111 8.558 -1.386 13.367 1.00 0.00 C ATOM 1751 CD2 TYR A 111 6.569 -0.894 12.150 1.00 0.00 C ATOM 1752 CE1 TYR A 111 8.225 -2.728 13.377 1.00 0.00 C ATOM 1753 CE2 TYR A 111 6.230 -2.233 12.156 1.00 0.00 C ATOM 1754 CZ TYR A 111 7.059 -3.145 12.771 1.00 0.00 C ATOM 1755 OH TYR A 111 6.724 -4.479 12.780 1.00 0.00 O ATOM 0 H TYR A 111 5.873 1.794 13.636 1.00 0.00 H new ATOM 0 HA TYR A 111 8.420 1.096 14.869 1.00 0.00 H new ATOM 0 HB2 TYR A 111 7.499 1.537 12.008 1.00 0.00 H new ATOM 0 HB3 TYR A 111 9.145 1.126 12.444 1.00 0.00 H new ATOM 0 HD1 TYR A 111 9.471 -1.062 13.844 1.00 0.00 H new ATOM 0 HD2 TYR A 111 5.915 -0.182 11.668 1.00 0.00 H new ATOM 0 HE1 TYR A 111 8.874 -3.445 13.857 1.00 0.00 H new ATOM 0 HE2 TYR A 111 5.318 -2.564 11.680 1.00 0.00 H new ATOM 0 HH TYR A 111 7.261 -4.947 13.453 1.00 0.00 H new ATOM 1765 N LYS A 112 7.708 4.086 13.791 1.00 0.00 N ATOM 1766 CA LYS A 112 8.162 5.470 13.759 1.00 0.00 C ATOM 1767 C LYS A 112 8.635 5.909 15.139 1.00 0.00 C ATOM 1768 O LYS A 112 9.655 6.584 15.275 1.00 0.00 O ATOM 1769 CB LYS A 112 7.034 6.383 13.284 1.00 0.00 C ATOM 1770 CG LYS A 112 6.601 6.117 11.855 1.00 0.00 C ATOM 1771 CD LYS A 112 6.392 7.414 11.097 1.00 0.00 C ATOM 1772 CE LYS A 112 5.381 7.247 9.975 1.00 0.00 C ATOM 1773 NZ LYS A 112 6.023 6.804 8.707 1.00 0.00 N ATOM 0 H LYS A 112 6.723 3.961 13.556 1.00 0.00 H new ATOM 0 HA LYS A 112 8.997 5.542 13.063 1.00 0.00 H new ATOM 0 HB2 LYS A 112 6.175 6.260 13.944 1.00 0.00 H new ATOM 0 HB3 LYS A 112 7.356 7.421 13.370 1.00 0.00 H new ATOM 0 HG2 LYS A 112 7.355 5.514 11.349 1.00 0.00 H new ATOM 0 HG3 LYS A 112 5.677 5.538 11.853 1.00 0.00 H new ATOM 0 HD2 LYS A 112 6.049 8.187 11.785 1.00 0.00 H new ATOM 0 HD3 LYS A 112 7.342 7.753 10.684 1.00 0.00 H new ATOM 0 HE2 LYS A 112 4.626 6.519 10.273 1.00 0.00 H new ATOM 0 HE3 LYS A 112 4.864 8.192 9.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 5.294 6.670 7.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 6.701 7.526 8.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 6.523 5.906 8.866 1.00 0.00 H new