USER MOD reduce.3.24.130724 H: found=0, std=0, add=942, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 944 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 114 THR OG1 : rot -153:sc= 0.998 USER MOD Set 1.2: A 117 GLN : amide:sc= 0.782 K(o=1.8,f=0.44) USER MOD Set 2.1: A 33 GLN : amide:sc= -0.611 K(o=-1.6,f=-4.2) USER MOD Set 2.2: A 88 MET CE :methyl -109:sc= -1.01 (180deg=-4.53!) USER MOD Set 3.1: A 34 SER OG : rot 180:sc= -0.164 USER MOD Set 3.2: A 85 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 38 LYS NZ :NH3+ -169:sc= 1.3 (180deg=0) USER MOD Set 4.2: A 81 GLN : amide:sc= 2.06 K(o=3.4,f=-7.1!) USER MOD Set 5.1: A 47 THR OG1 : rot -68:sc= 1.28 USER MOD Set 5.2: A 48 THR OG1 : rot 16:sc= 1.26 USER MOD Set 6.1: A 23 TYR OH : rot 180:sc= -1.47! USER MOD Set 6.2: A 115 MET CE :methyl -132:sc= -3.48! (180deg=-5.94!) USER MOD Single : A 7 SER OG : rot 38:sc= 0.189 USER MOD Single : A 8 LYS NZ :NH3+ -152:sc= 1.22 (180deg=1.2) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 169:sc= -0.692 USER MOD Single : A 13 ASN : amide:sc= 0.224 K(o=0.22,f=-5.4!) USER MOD Single : A 15 ASN : amide:sc= -0.0197 K(o=-0.02,f=-0.79) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.297 USER MOD Single : A 25 TYR OH : rot 180:sc= -0.0246 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 1.25 (180deg=1.25) USER MOD Single : A 29 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0213) USER MOD Single : A 32 LYS NZ :NH3+ 152:sc= 1.19 (180deg=0.85) USER MOD Single : A 35 SER OG : rot 180:sc= -0.313 USER MOD Single : A 37 THR OG1 : rot 134:sc= 1.28 USER MOD Single : A 40 GLN : amide:sc= -0.0759 X(o=-0.076,f=-0.0067) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0.125 (180deg=0.125) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 78:sc= 0.168 USER MOD Single : A 60 SER OG : rot 23:sc= -0.595 USER MOD Single : A 62 LYS NZ :NH3+ 160:sc= 1.06 (180deg=0.568) USER MOD Single : A 63 TYR OH : rot -151:sc= 0.0663 USER MOD Single : A 64 LYS NZ :NH3+ -145:sc= -0.19 (180deg=-0.598) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0.035) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 44:sc= -2.57! USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= 0.104! X(o=0.1!,f=-0.15) USER MOD Single : A 90 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00296) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= -1.07 K(o=-1.1,f=-0.0041) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 MET CE :methyl 168:sc=-0.000675 (180deg=-0.332) USER MOD Single : A 122 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 61 N GLU A 5 13.772 -0.221 13.500 1.00 0.00 N ATOM 62 CA GLU A 5 12.516 -0.326 12.758 1.00 0.00 C ATOM 63 C GLU A 5 12.272 0.933 11.923 1.00 0.00 C ATOM 64 O GLU A 5 12.058 2.025 12.450 1.00 0.00 O ATOM 65 CB GLU A 5 11.348 -0.603 13.709 1.00 0.00 C ATOM 66 CG GLU A 5 10.274 -1.483 13.098 1.00 0.00 C ATOM 67 CD GLU A 5 9.291 -2.004 14.127 1.00 0.00 C ATOM 68 OE1 GLU A 5 9.674 -2.912 14.901 1.00 0.00 O ATOM 69 OE2 GLU A 5 8.142 -1.518 14.166 1.00 0.00 O ATOM 0 HA GLU A 5 12.591 -1.168 12.070 1.00 0.00 H new ATOM 0 HB2 GLU A 5 11.729 -1.080 14.612 1.00 0.00 H new ATOM 0 HB3 GLU A 5 10.903 0.344 14.012 1.00 0.00 H new ATOM 0 HG2 GLU A 5 9.734 -0.917 12.339 1.00 0.00 H new ATOM 0 HG3 GLU A 5 10.745 -2.326 12.592 1.00 0.00 H new ATOM 76 N GLU A 6 12.303 0.769 10.612 1.00 0.00 N ATOM 77 CA GLU A 6 12.278 1.900 9.702 1.00 0.00 C ATOM 78 C GLU A 6 10.973 1.936 8.925 1.00 0.00 C ATOM 79 O GLU A 6 10.378 0.896 8.654 1.00 0.00 O ATOM 80 CB GLU A 6 13.459 1.813 8.734 1.00 0.00 C ATOM 81 CG GLU A 6 14.806 1.688 9.424 1.00 0.00 C ATOM 82 CD GLU A 6 15.949 1.558 8.442 1.00 0.00 C ATOM 83 OE1 GLU A 6 16.263 0.422 8.033 1.00 0.00 O ATOM 84 OE2 GLU A 6 16.545 2.594 8.077 1.00 0.00 O ATOM 0 H GLU A 6 12.346 -0.141 10.153 1.00 0.00 H new ATOM 0 HA GLU A 6 12.357 2.817 10.286 1.00 0.00 H new ATOM 0 HB2 GLU A 6 13.316 0.955 8.077 1.00 0.00 H new ATOM 0 HB3 GLU A 6 13.465 2.701 8.102 1.00 0.00 H new ATOM 0 HG2 GLU A 6 14.970 2.562 10.054 1.00 0.00 H new ATOM 0 HG3 GLU A 6 14.795 0.818 10.081 1.00 0.00 H new ATOM 91 N SER A 7 10.533 3.129 8.571 1.00 0.00 N ATOM 92 CA SER A 7 9.308 3.293 7.812 1.00 0.00 C ATOM 93 C SER A 7 9.538 4.212 6.619 1.00 0.00 C ATOM 94 O SER A 7 9.957 5.359 6.782 1.00 0.00 O ATOM 95 CB SER A 7 8.208 3.857 8.715 1.00 0.00 C ATOM 96 OG SER A 7 8.646 5.033 9.377 1.00 0.00 O ATOM 0 H SER A 7 11.008 4.002 8.798 1.00 0.00 H new ATOM 0 HA SER A 7 8.994 2.319 7.438 1.00 0.00 H new ATOM 0 HB2 SER A 7 7.322 4.079 8.120 1.00 0.00 H new ATOM 0 HB3 SER A 7 7.917 3.108 9.451 1.00 0.00 H new ATOM 0 HG SER A 7 9.197 5.566 8.766 1.00 0.00 H new ATOM 102 N LYS A 8 9.287 3.705 5.424 1.00 0.00 N ATOM 103 CA LYS A 8 9.435 4.508 4.221 1.00 0.00 C ATOM 104 C LYS A 8 8.124 4.548 3.449 1.00 0.00 C ATOM 105 O LYS A 8 7.599 3.511 3.046 1.00 0.00 O ATOM 106 CB LYS A 8 10.555 3.958 3.330 1.00 0.00 C ATOM 107 CG LYS A 8 10.843 4.833 2.118 1.00 0.00 C ATOM 108 CD LYS A 8 11.900 4.226 1.205 1.00 0.00 C ATOM 109 CE LYS A 8 13.238 4.061 1.908 1.00 0.00 C ATOM 110 NZ LYS A 8 14.312 3.663 0.961 1.00 0.00 N ATOM 0 H LYS A 8 8.981 2.746 5.261 1.00 0.00 H new ATOM 0 HA LYS A 8 9.702 5.522 4.520 1.00 0.00 H new ATOM 0 HB2 LYS A 8 11.465 3.858 3.922 1.00 0.00 H new ATOM 0 HB3 LYS A 8 10.283 2.958 2.992 1.00 0.00 H new ATOM 0 HG2 LYS A 8 9.922 4.984 1.554 1.00 0.00 H new ATOM 0 HG3 LYS A 8 11.176 5.815 2.453 1.00 0.00 H new ATOM 0 HD2 LYS A 8 11.556 3.255 0.849 1.00 0.00 H new ATOM 0 HD3 LYS A 8 12.028 4.860 0.328 1.00 0.00 H new ATOM 0 HE2 LYS A 8 13.511 4.997 2.395 1.00 0.00 H new ATOM 0 HE3 LYS A 8 13.147 3.309 2.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 15.038 3.118 1.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 13.907 3.078 0.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 14.744 4.514 0.548 1.00 0.00 H new ATOM 124 N LYS A 9 7.590 5.747 3.268 1.00 0.00 N ATOM 125 CA LYS A 9 6.364 5.926 2.510 1.00 0.00 C ATOM 126 C LYS A 9 6.674 6.426 1.111 1.00 0.00 C ATOM 127 O LYS A 9 7.308 7.464 0.952 1.00 0.00 O ATOM 128 CB LYS A 9 5.439 6.932 3.202 1.00 0.00 C ATOM 129 CG LYS A 9 4.094 7.092 2.504 1.00 0.00 C ATOM 130 CD LYS A 9 3.304 8.278 3.039 1.00 0.00 C ATOM 131 CE LYS A 9 3.868 9.602 2.539 1.00 0.00 C ATOM 132 NZ LYS A 9 3.055 10.761 2.995 1.00 0.00 N ATOM 0 H LYS A 9 7.988 6.610 3.637 1.00 0.00 H new ATOM 0 HA LYS A 9 5.866 4.958 2.452 1.00 0.00 H new ATOM 0 HB2 LYS A 9 5.271 6.613 4.231 1.00 0.00 H new ATOM 0 HB3 LYS A 9 5.936 7.901 3.246 1.00 0.00 H new ATOM 0 HG2 LYS A 9 4.255 7.219 1.433 1.00 0.00 H new ATOM 0 HG3 LYS A 9 3.510 6.181 2.633 1.00 0.00 H new ATOM 0 HD2 LYS A 9 2.261 8.188 2.734 1.00 0.00 H new ATOM 0 HD3 LYS A 9 3.320 8.264 4.129 1.00 0.00 H new ATOM 0 HE2 LYS A 9 4.893 9.716 2.893 1.00 0.00 H new ATOM 0 HE3 LYS A 9 3.906 9.592 1.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 3.473 11.642 2.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 2.083 10.666 2.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 3.040 10.787 4.035 1.00 0.00 H new ATOM 146 N PHE A 10 6.255 5.689 0.102 1.00 0.00 N ATOM 147 CA PHE A 10 6.289 6.205 -1.254 1.00 0.00 C ATOM 148 C PHE A 10 4.861 6.505 -1.673 1.00 0.00 C ATOM 149 O PHE A 10 3.938 5.820 -1.239 1.00 0.00 O ATOM 150 CB PHE A 10 6.962 5.222 -2.230 1.00 0.00 C ATOM 151 CG PHE A 10 6.065 4.135 -2.760 1.00 0.00 C ATOM 152 CD1 PHE A 10 5.243 4.373 -3.852 1.00 0.00 C ATOM 153 CD2 PHE A 10 6.051 2.880 -2.181 1.00 0.00 C ATOM 154 CE1 PHE A 10 4.422 3.384 -4.351 1.00 0.00 C ATOM 155 CE2 PHE A 10 5.233 1.884 -2.678 1.00 0.00 C ATOM 156 CZ PHE A 10 4.417 2.138 -3.765 1.00 0.00 C ATOM 0 H PHE A 10 5.890 4.741 0.192 1.00 0.00 H new ATOM 0 HA PHE A 10 6.890 7.114 -1.282 1.00 0.00 H new ATOM 0 HB2 PHE A 10 7.360 5.786 -3.073 1.00 0.00 H new ATOM 0 HB3 PHE A 10 7.811 4.759 -1.727 1.00 0.00 H new ATOM 0 HD1 PHE A 10 5.246 5.347 -4.318 1.00 0.00 H new ATOM 0 HD2 PHE A 10 6.686 2.676 -1.332 1.00 0.00 H new ATOM 0 HE1 PHE A 10 3.785 3.586 -5.199 1.00 0.00 H new ATOM 0 HE2 PHE A 10 5.231 0.907 -2.218 1.00 0.00 H new ATOM 0 HZ PHE A 10 3.777 1.360 -4.154 1.00 0.00 H new ATOM 166 N SER A 11 4.662 7.522 -2.491 1.00 0.00 N ATOM 167 CA SER A 11 3.317 7.892 -2.888 1.00 0.00 C ATOM 168 C SER A 11 3.299 8.441 -4.306 1.00 0.00 C ATOM 169 O SER A 11 3.892 9.482 -4.592 1.00 0.00 O ATOM 170 CB SER A 11 2.733 8.910 -1.897 1.00 0.00 C ATOM 171 OG SER A 11 1.372 9.197 -2.180 1.00 0.00 O ATOM 0 H SER A 11 5.403 8.099 -2.889 1.00 0.00 H new ATOM 0 HA SER A 11 2.694 6.998 -2.872 1.00 0.00 H new ATOM 0 HB2 SER A 11 2.820 8.521 -0.882 1.00 0.00 H new ATOM 0 HB3 SER A 11 3.315 9.831 -1.936 1.00 0.00 H new ATOM 0 HG SER A 11 0.983 9.704 -1.437 1.00 0.00 H new ATOM 177 N ALA A 12 2.638 7.714 -5.193 1.00 0.00 N ATOM 178 CA ALA A 12 2.442 8.161 -6.556 1.00 0.00 C ATOM 179 C ALA A 12 0.953 8.261 -6.843 1.00 0.00 C ATOM 180 O ALA A 12 0.224 7.277 -6.710 1.00 0.00 O ATOM 181 CB ALA A 12 3.116 7.204 -7.532 1.00 0.00 C ATOM 0 H ALA A 12 2.226 6.804 -4.987 1.00 0.00 H new ATOM 0 HA ALA A 12 2.896 9.144 -6.683 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.959 7.554 -8.552 1.00 0.00 H new ATOM 0 HB2 ALA A 12 4.185 7.164 -7.322 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.687 6.208 -7.420 1.00 0.00 H new ATOM 187 N ASN A 13 0.490 9.450 -7.190 1.00 0.00 N ATOM 188 CA ASN A 13 -0.909 9.634 -7.538 1.00 0.00 C ATOM 189 C ASN A 13 -1.107 9.409 -9.027 1.00 0.00 C ATOM 190 O ASN A 13 -0.753 10.242 -9.859 1.00 0.00 O ATOM 191 CB ASN A 13 -1.436 11.011 -7.101 1.00 0.00 C ATOM 192 CG ASN A 13 -0.640 12.186 -7.644 1.00 0.00 C ATOM 193 OD1 ASN A 13 0.573 12.106 -7.837 1.00 0.00 O ATOM 194 ND2 ASN A 13 -1.323 13.293 -7.881 1.00 0.00 N ATOM 0 H ASN A 13 1.057 10.296 -7.238 1.00 0.00 H new ATOM 0 HA ASN A 13 -1.493 8.893 -6.993 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -2.473 11.109 -7.423 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -1.435 11.059 -6.012 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -0.845 14.121 -8.237 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -2.328 13.319 -7.708 1.00 0.00 H new ATOM 201 N LEU A 14 -1.654 8.252 -9.353 1.00 0.00 N ATOM 202 CA LEU A 14 -1.808 7.837 -10.732 1.00 0.00 C ATOM 203 C LEU A 14 -3.242 8.060 -11.189 1.00 0.00 C ATOM 204 O LEU A 14 -4.114 7.221 -10.958 1.00 0.00 O ATOM 205 CB LEU A 14 -1.415 6.362 -10.898 1.00 0.00 C ATOM 206 CG LEU A 14 -0.474 5.814 -9.818 1.00 0.00 C ATOM 207 CD1 LEU A 14 -1.269 5.163 -8.696 1.00 0.00 C ATOM 208 CD2 LEU A 14 0.523 4.828 -10.406 1.00 0.00 C ATOM 0 H LEU A 14 -2.002 7.578 -8.671 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.145 8.440 -11.353 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.323 5.759 -10.907 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.939 6.236 -11.871 1.00 0.00 H new ATOM 0 HG LEU A 14 0.087 6.653 -9.406 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.584 4.780 -7.939 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.933 5.901 -8.245 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.861 4.341 -9.099 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.176 4.457 -9.616 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.014 3.993 -10.856 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.122 5.327 -11.168 1.00 0.00 H new ATOM 220 N ASN A 15 -3.478 9.226 -11.782 1.00 0.00 N ATOM 221 CA ASN A 15 -4.781 9.585 -12.341 1.00 0.00 C ATOM 222 C ASN A 15 -5.873 9.562 -11.268 1.00 0.00 C ATOM 223 O ASN A 15 -6.769 8.716 -11.280 1.00 0.00 O ATOM 224 CB ASN A 15 -5.141 8.657 -13.510 1.00 0.00 C ATOM 225 CG ASN A 15 -6.391 9.096 -14.254 1.00 0.00 C ATOM 226 OD1 ASN A 15 -6.710 10.285 -14.317 1.00 0.00 O ATOM 227 ND2 ASN A 15 -7.095 8.141 -14.837 1.00 0.00 N ATOM 0 H ASN A 15 -2.770 9.952 -11.890 1.00 0.00 H new ATOM 0 HA ASN A 15 -4.714 10.605 -12.720 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -4.304 8.619 -14.208 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -5.287 7.645 -13.132 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -7.937 8.377 -15.363 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -6.797 7.169 -14.761 1.00 0.00 H new ATOM 234 N GLY A 16 -5.765 10.485 -10.316 1.00 0.00 N ATOM 235 CA GLY A 16 -6.782 10.629 -9.287 1.00 0.00 C ATOM 236 C GLY A 16 -6.758 9.510 -8.260 1.00 0.00 C ATOM 237 O GLY A 16 -7.735 9.298 -7.538 1.00 0.00 O ATOM 0 H GLY A 16 -4.987 11.140 -10.238 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -6.642 11.583 -8.778 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -7.764 10.660 -9.758 1.00 0.00 H new ATOM 241 N THR A 17 -5.650 8.788 -8.201 1.00 0.00 N ATOM 242 CA THR A 17 -5.496 7.702 -7.248 1.00 0.00 C ATOM 243 C THR A 17 -4.127 7.780 -6.575 1.00 0.00 C ATOM 244 O THR A 17 -3.111 7.449 -7.183 1.00 0.00 O ATOM 245 CB THR A 17 -5.650 6.334 -7.943 1.00 0.00 C ATOM 246 OG1 THR A 17 -6.813 6.342 -8.782 1.00 0.00 O ATOM 247 CG2 THR A 17 -5.773 5.214 -6.921 1.00 0.00 C ATOM 0 H THR A 17 -4.841 8.936 -8.805 1.00 0.00 H new ATOM 0 HA THR A 17 -6.277 7.802 -6.494 1.00 0.00 H new ATOM 0 HB THR A 17 -4.760 6.158 -8.547 1.00 0.00 H new ATOM 0 HG1 THR A 17 -6.905 5.471 -9.222 1.00 0.00 H new ATOM 0 HG21 THR A 17 -5.880 4.260 -7.438 1.00 0.00 H new ATOM 0 HG22 THR A 17 -4.879 5.190 -6.298 1.00 0.00 H new ATOM 0 HG23 THR A 17 -6.648 5.388 -6.294 1.00 0.00 H new ATOM 255 N GLU A 18 -4.098 8.234 -5.330 1.00 0.00 N ATOM 256 CA GLU A 18 -2.838 8.407 -4.619 1.00 0.00 C ATOM 257 C GLU A 18 -2.494 7.152 -3.835 1.00 0.00 C ATOM 258 O GLU A 18 -3.026 6.932 -2.750 1.00 0.00 O ATOM 259 CB GLU A 18 -2.904 9.588 -3.647 1.00 0.00 C ATOM 260 CG GLU A 18 -3.802 10.725 -4.102 1.00 0.00 C ATOM 261 CD GLU A 18 -3.919 11.820 -3.061 1.00 0.00 C ATOM 262 OE1 GLU A 18 -2.931 12.065 -2.332 1.00 0.00 O ATOM 263 OE2 GLU A 18 -5.007 12.421 -2.947 1.00 0.00 O ATOM 0 H GLU A 18 -4.927 8.488 -4.793 1.00 0.00 H new ATOM 0 HA GLU A 18 -2.069 8.603 -5.367 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.256 9.228 -2.680 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.896 9.975 -3.496 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -3.409 11.147 -5.027 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -4.794 10.333 -4.327 1.00 0.00 H new ATOM 270 N ILE A 19 -1.619 6.325 -4.377 1.00 0.00 N ATOM 271 CA ILE A 19 -1.174 5.147 -3.654 1.00 0.00 C ATOM 272 C ILE A 19 0.069 5.479 -2.847 1.00 0.00 C ATOM 273 O ILE A 19 1.144 5.714 -3.404 1.00 0.00 O ATOM 274 CB ILE A 19 -0.881 3.951 -4.585 1.00 0.00 C ATOM 275 CG1 ILE A 19 -2.140 3.563 -5.361 1.00 0.00 C ATOM 276 CG2 ILE A 19 -0.370 2.764 -3.775 1.00 0.00 C ATOM 277 CD1 ILE A 19 -1.973 2.324 -6.216 1.00 0.00 C ATOM 0 H ILE A 19 -1.207 6.444 -5.302 1.00 0.00 H new ATOM 0 HA ILE A 19 -1.988 4.851 -2.993 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.110 4.244 -5.298 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.954 3.399 -4.655 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.434 4.397 -5.999 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -0.167 1.927 -4.444 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.547 3.045 -3.257 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -1.124 2.470 -3.045 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -2.907 2.112 -6.736 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.181 2.490 -6.946 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -1.710 1.477 -5.582 1.00 0.00 H new ATOM 289 N ALA A 20 -0.100 5.543 -1.539 1.00 0.00 N ATOM 290 CA ALA A 20 1.006 5.798 -0.641 1.00 0.00 C ATOM 291 C ALA A 20 1.246 4.589 0.242 1.00 0.00 C ATOM 292 O ALA A 20 0.450 4.280 1.129 1.00 0.00 O ATOM 293 CB ALA A 20 0.747 7.038 0.199 1.00 0.00 C ATOM 0 H ALA A 20 -1.000 5.421 -1.075 1.00 0.00 H new ATOM 0 HA ALA A 20 1.902 5.980 -1.235 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.592 7.209 0.866 1.00 0.00 H new ATOM 0 HB2 ALA A 20 0.621 7.901 -0.455 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -0.158 6.895 0.790 1.00 0.00 H new ATOM 299 N ILE A 21 2.338 3.896 -0.017 1.00 0.00 N ATOM 300 CA ILE A 21 2.684 2.721 0.749 1.00 0.00 C ATOM 301 C ILE A 21 3.766 3.050 1.764 1.00 0.00 C ATOM 302 O ILE A 21 4.906 3.344 1.404 1.00 0.00 O ATOM 303 CB ILE A 21 3.153 1.558 -0.151 1.00 0.00 C ATOM 304 CG1 ILE A 21 2.043 1.165 -1.131 1.00 0.00 C ATOM 305 CG2 ILE A 21 3.570 0.366 0.700 1.00 0.00 C ATOM 306 CD1 ILE A 21 2.385 -0.024 -2.007 1.00 0.00 C ATOM 0 H ILE A 21 3.001 4.130 -0.756 1.00 0.00 H new ATOM 0 HA ILE A 21 1.781 2.399 1.267 1.00 0.00 H new ATOM 0 HB ILE A 21 4.018 1.886 -0.727 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.138 0.939 -0.567 1.00 0.00 H new ATOM 0 HG13 ILE A 21 1.816 2.020 -1.769 1.00 0.00 H new ATOM 0 HG21 ILE A 21 3.898 -0.447 0.052 1.00 0.00 H new ATOM 0 HG22 ILE A 21 4.388 0.658 1.359 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.723 0.032 1.299 1.00 0.00 H new ATOM 0 HD11 ILE A 21 1.548 -0.239 -2.672 1.00 0.00 H new ATOM 0 HD12 ILE A 21 3.271 0.204 -2.600 1.00 0.00 H new ATOM 0 HD13 ILE A 21 2.582 -0.893 -1.380 1.00 0.00 H new ATOM 318 N THR A 22 3.383 3.027 3.026 1.00 0.00 N ATOM 319 CA THR A 22 4.309 3.235 4.116 1.00 0.00 C ATOM 320 C THR A 22 4.741 1.885 4.662 1.00 0.00 C ATOM 321 O THR A 22 4.088 1.325 5.542 1.00 0.00 O ATOM 322 CB THR A 22 3.661 4.053 5.248 1.00 0.00 C ATOM 323 OG1 THR A 22 2.898 5.133 4.692 1.00 0.00 O ATOM 324 CG2 THR A 22 4.719 4.607 6.192 1.00 0.00 C ATOM 0 H THR A 22 2.421 2.863 3.322 1.00 0.00 H new ATOM 0 HA THR A 22 5.169 3.790 3.739 1.00 0.00 H new ATOM 0 HB THR A 22 3.003 3.394 5.814 1.00 0.00 H new ATOM 0 HG1 THR A 22 2.486 5.649 5.416 1.00 0.00 H new ATOM 0 HG21 THR A 22 4.236 5.181 6.983 1.00 0.00 H new ATOM 0 HG22 THR A 22 5.281 3.783 6.633 1.00 0.00 H new ATOM 0 HG23 THR A 22 5.399 5.254 5.637 1.00 0.00 H new ATOM 332 N TYR A 23 5.803 1.330 4.110 1.00 0.00 N ATOM 333 CA TYR A 23 6.244 0.018 4.538 1.00 0.00 C ATOM 334 C TYR A 23 7.264 0.118 5.662 1.00 0.00 C ATOM 335 O TYR A 23 8.256 0.845 5.568 1.00 0.00 O ATOM 336 CB TYR A 23 6.777 -0.822 3.365 1.00 0.00 C ATOM 337 CG TYR A 23 7.735 -0.111 2.430 1.00 0.00 C ATOM 338 CD1 TYR A 23 9.089 -0.015 2.725 1.00 0.00 C ATOM 339 CD2 TYR A 23 7.284 0.441 1.238 1.00 0.00 C ATOM 340 CE1 TYR A 23 9.964 0.617 1.862 1.00 0.00 C ATOM 341 CE2 TYR A 23 8.154 1.070 0.369 1.00 0.00 C ATOM 342 CZ TYR A 23 9.491 1.157 0.686 1.00 0.00 C ATOM 343 OH TYR A 23 10.360 1.784 -0.180 1.00 0.00 O ATOM 0 H TYR A 23 6.368 1.759 3.377 1.00 0.00 H new ATOM 0 HA TYR A 23 5.370 -0.503 4.929 1.00 0.00 H new ATOM 0 HB2 TYR A 23 7.279 -1.701 3.770 1.00 0.00 H new ATOM 0 HB3 TYR A 23 5.928 -1.179 2.783 1.00 0.00 H new ATOM 0 HD1 TYR A 23 9.464 -0.441 3.644 1.00 0.00 H new ATOM 0 HD2 TYR A 23 6.236 0.377 0.986 1.00 0.00 H new ATOM 0 HE1 TYR A 23 11.013 0.687 2.108 1.00 0.00 H new ATOM 0 HE2 TYR A 23 7.787 1.492 -0.555 1.00 0.00 H new ATOM 0 HH TYR A 23 9.866 2.108 -0.962 1.00 0.00 H new ATOM 353 N VAL A 24 6.972 -0.587 6.743 1.00 0.00 N ATOM 354 CA VAL A 24 7.879 -0.695 7.866 1.00 0.00 C ATOM 355 C VAL A 24 8.792 -1.889 7.659 1.00 0.00 C ATOM 356 O VAL A 24 8.333 -3.025 7.512 1.00 0.00 O ATOM 357 CB VAL A 24 7.122 -0.833 9.207 1.00 0.00 C ATOM 358 CG1 VAL A 24 8.074 -1.202 10.337 1.00 0.00 C ATOM 359 CG2 VAL A 24 6.399 0.461 9.538 1.00 0.00 C ATOM 0 H VAL A 24 6.098 -1.099 6.863 1.00 0.00 H new ATOM 0 HA VAL A 24 8.467 0.221 7.917 1.00 0.00 H new ATOM 0 HB VAL A 24 6.390 -1.634 9.101 1.00 0.00 H new ATOM 0 HG11 VAL A 24 7.515 -1.293 11.269 1.00 0.00 H new ATOM 0 HG12 VAL A 24 8.557 -2.152 10.110 1.00 0.00 H new ATOM 0 HG13 VAL A 24 8.832 -0.426 10.443 1.00 0.00 H new ATOM 0 HG21 VAL A 24 5.870 0.350 10.485 1.00 0.00 H new ATOM 0 HG22 VAL A 24 7.123 1.272 9.620 1.00 0.00 H new ATOM 0 HG23 VAL A 24 5.684 0.691 8.748 1.00 0.00 H new ATOM 369 N TYR A 25 10.078 -1.622 7.632 1.00 0.00 N ATOM 370 CA TYR A 25 11.063 -2.643 7.356 1.00 0.00 C ATOM 371 C TYR A 25 12.155 -2.621 8.409 1.00 0.00 C ATOM 372 O TYR A 25 12.395 -1.599 9.054 1.00 0.00 O ATOM 373 CB TYR A 25 11.657 -2.447 5.954 1.00 0.00 C ATOM 374 CG TYR A 25 12.267 -1.079 5.713 1.00 0.00 C ATOM 375 CD1 TYR A 25 11.465 0.033 5.476 1.00 0.00 C ATOM 376 CD2 TYR A 25 13.645 -0.904 5.703 1.00 0.00 C ATOM 377 CE1 TYR A 25 12.019 1.276 5.237 1.00 0.00 C ATOM 378 CE2 TYR A 25 14.205 0.338 5.469 1.00 0.00 C ATOM 379 CZ TYR A 25 13.389 1.424 5.236 1.00 0.00 C ATOM 380 OH TYR A 25 13.945 2.658 4.986 1.00 0.00 O ATOM 0 H TYR A 25 10.469 -0.695 7.800 1.00 0.00 H new ATOM 0 HA TYR A 25 10.575 -3.617 7.388 1.00 0.00 H new ATOM 0 HB2 TYR A 25 12.422 -3.206 5.788 1.00 0.00 H new ATOM 0 HB3 TYR A 25 10.874 -2.617 5.215 1.00 0.00 H new ATOM 0 HD1 TYR A 25 10.391 -0.077 5.479 1.00 0.00 H new ATOM 0 HD2 TYR A 25 14.289 -1.752 5.881 1.00 0.00 H new ATOM 0 HE1 TYR A 25 11.381 2.128 5.052 1.00 0.00 H new ATOM 0 HE2 TYR A 25 15.278 0.457 5.469 1.00 0.00 H new ATOM 0 HH TYR A 25 14.922 2.590 5.023 1.00 0.00 H new ATOM 390 N LYS A 26 12.795 -3.756 8.593 1.00 0.00 N ATOM 391 CA LYS A 26 13.886 -3.866 9.539 1.00 0.00 C ATOM 392 C LYS A 26 15.034 -4.618 8.883 1.00 0.00 C ATOM 393 O LYS A 26 14.976 -5.838 8.712 1.00 0.00 O ATOM 394 CB LYS A 26 13.415 -4.575 10.812 1.00 0.00 C ATOM 395 CG LYS A 26 14.278 -4.282 12.027 1.00 0.00 C ATOM 396 CD LYS A 26 13.681 -4.868 13.299 1.00 0.00 C ATOM 397 CE LYS A 26 12.319 -4.259 13.597 1.00 0.00 C ATOM 398 NZ LYS A 26 11.793 -4.668 14.926 1.00 0.00 N ATOM 0 H LYS A 26 12.577 -4.620 8.097 1.00 0.00 H new ATOM 0 HA LYS A 26 14.231 -2.872 9.824 1.00 0.00 H new ATOM 0 HB2 LYS A 26 12.389 -4.276 11.025 1.00 0.00 H new ATOM 0 HB3 LYS A 26 13.404 -5.651 10.636 1.00 0.00 H new ATOM 0 HG2 LYS A 26 15.276 -4.692 11.871 1.00 0.00 H new ATOM 0 HG3 LYS A 26 14.391 -3.204 12.141 1.00 0.00 H new ATOM 0 HD2 LYS A 26 13.584 -5.949 13.195 1.00 0.00 H new ATOM 0 HD3 LYS A 26 14.354 -4.688 14.137 1.00 0.00 H new ATOM 0 HE2 LYS A 26 12.394 -3.172 13.558 1.00 0.00 H new ATOM 0 HE3 LYS A 26 11.613 -4.558 12.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 10.864 -4.228 15.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 11.695 -5.703 14.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 12.451 -4.360 15.670 1.00 0.00 H new ATOM 412 N GLY A 27 16.062 -3.880 8.493 1.00 0.00 N ATOM 413 CA GLY A 27 17.135 -4.462 7.720 1.00 0.00 C ATOM 414 C GLY A 27 16.741 -4.619 6.267 1.00 0.00 C ATOM 415 O GLY A 27 16.433 -3.636 5.591 1.00 0.00 O ATOM 0 H GLY A 27 16.171 -2.887 8.699 1.00 0.00 H new ATOM 0 HA2 GLY A 27 18.022 -3.833 7.793 1.00 0.00 H new ATOM 0 HA3 GLY A 27 17.399 -5.435 8.135 1.00 0.00 H new ATOM 419 N ASP A 28 16.734 -5.851 5.789 1.00 0.00 N ATOM 420 CA ASP A 28 16.306 -6.141 4.427 1.00 0.00 C ATOM 421 C ASP A 28 14.935 -6.812 4.455 1.00 0.00 C ATOM 422 O ASP A 28 14.341 -7.108 3.418 1.00 0.00 O ATOM 423 CB ASP A 28 17.343 -7.033 3.728 1.00 0.00 C ATOM 424 CG ASP A 28 17.032 -7.297 2.264 1.00 0.00 C ATOM 425 OD1 ASP A 28 16.858 -6.325 1.494 1.00 0.00 O ATOM 426 OD2 ASP A 28 17.002 -8.483 1.867 1.00 0.00 O ATOM 0 H ASP A 28 17.020 -6.671 6.324 1.00 0.00 H new ATOM 0 HA ASP A 28 16.226 -5.212 3.863 1.00 0.00 H new ATOM 0 HB2 ASP A 28 18.324 -6.563 3.803 1.00 0.00 H new ATOM 0 HB3 ASP A 28 17.405 -7.985 4.255 1.00 0.00 H new ATOM 431 N LYS A 29 14.428 -7.031 5.663 1.00 0.00 N ATOM 432 CA LYS A 29 13.127 -7.658 5.848 1.00 0.00 C ATOM 433 C LYS A 29 12.043 -6.594 5.960 1.00 0.00 C ATOM 434 O LYS A 29 12.001 -5.844 6.937 1.00 0.00 O ATOM 435 CB LYS A 29 13.114 -8.513 7.125 1.00 0.00 C ATOM 436 CG LYS A 29 12.295 -9.798 7.020 1.00 0.00 C ATOM 437 CD LYS A 29 10.843 -9.531 6.653 1.00 0.00 C ATOM 438 CE LYS A 29 9.992 -10.793 6.722 1.00 0.00 C ATOM 439 NZ LYS A 29 10.460 -11.849 5.783 1.00 0.00 N ATOM 0 H LYS A 29 14.901 -6.782 6.531 1.00 0.00 H new ATOM 0 HA LYS A 29 12.934 -8.294 4.984 1.00 0.00 H new ATOM 0 HB2 LYS A 29 14.141 -8.772 7.384 1.00 0.00 H new ATOM 0 HB3 LYS A 29 12.720 -7.912 7.945 1.00 0.00 H new ATOM 0 HG2 LYS A 29 12.742 -10.451 6.270 1.00 0.00 H new ATOM 0 HG3 LYS A 29 12.335 -10.330 7.971 1.00 0.00 H new ATOM 0 HD2 LYS A 29 10.432 -8.780 7.327 1.00 0.00 H new ATOM 0 HD3 LYS A 29 10.795 -9.116 5.646 1.00 0.00 H new ATOM 0 HE2 LYS A 29 10.009 -11.183 7.740 1.00 0.00 H new ATOM 0 HE3 LYS A 29 8.956 -10.542 6.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 9.818 -12.666 5.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 10.468 -11.473 4.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 11.421 -12.147 6.047 1.00 0.00 H new ATOM 453 N VAL A 30 11.180 -6.518 4.963 1.00 0.00 N ATOM 454 CA VAL A 30 10.007 -5.669 5.058 1.00 0.00 C ATOM 455 C VAL A 30 8.956 -6.393 5.886 1.00 0.00 C ATOM 456 O VAL A 30 8.596 -7.528 5.584 1.00 0.00 O ATOM 457 CB VAL A 30 9.431 -5.309 3.674 1.00 0.00 C ATOM 458 CG1 VAL A 30 8.333 -4.269 3.815 1.00 0.00 C ATOM 459 CG2 VAL A 30 10.530 -4.812 2.745 1.00 0.00 C ATOM 0 H VAL A 30 11.268 -7.030 4.085 1.00 0.00 H new ATOM 0 HA VAL A 30 10.297 -4.732 5.533 1.00 0.00 H new ATOM 0 HB VAL A 30 9.000 -6.208 3.234 1.00 0.00 H new ATOM 0 HG11 VAL A 30 7.935 -4.024 2.830 1.00 0.00 H new ATOM 0 HG12 VAL A 30 7.534 -4.666 4.441 1.00 0.00 H new ATOM 0 HG13 VAL A 30 8.741 -3.369 4.276 1.00 0.00 H new ATOM 0 HG21 VAL A 30 10.101 -4.564 1.774 1.00 0.00 H new ATOM 0 HG22 VAL A 30 10.995 -3.924 3.174 1.00 0.00 H new ATOM 0 HG23 VAL A 30 11.282 -5.592 2.621 1.00 0.00 H new ATOM 469 N LEU A 31 8.490 -5.753 6.941 1.00 0.00 N ATOM 470 CA LEU A 31 7.644 -6.424 7.913 1.00 0.00 C ATOM 471 C LEU A 31 6.174 -6.059 7.735 1.00 0.00 C ATOM 472 O LEU A 31 5.302 -6.923 7.820 1.00 0.00 O ATOM 473 CB LEU A 31 8.132 -6.094 9.326 1.00 0.00 C ATOM 474 CG LEU A 31 9.549 -6.592 9.628 1.00 0.00 C ATOM 475 CD1 LEU A 31 10.061 -6.043 10.946 1.00 0.00 C ATOM 476 CD2 LEU A 31 9.582 -8.112 9.650 1.00 0.00 C ATOM 0 H LEU A 31 8.681 -4.773 7.148 1.00 0.00 H new ATOM 0 HA LEU A 31 7.718 -7.500 7.752 1.00 0.00 H new ATOM 0 HB2 LEU A 31 8.100 -5.014 9.467 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.443 -6.531 10.049 1.00 0.00 H new ATOM 0 HG LEU A 31 10.203 -6.230 8.834 1.00 0.00 H new ATOM 0 HD11 LEU A 31 11.069 -6.416 11.129 1.00 0.00 H new ATOM 0 HD12 LEU A 31 10.080 -4.954 10.904 1.00 0.00 H new ATOM 0 HD13 LEU A 31 9.403 -6.364 11.754 1.00 0.00 H new ATOM 0 HD21 LEU A 31 10.595 -8.451 9.866 1.00 0.00 H new ATOM 0 HD22 LEU A 31 8.905 -8.480 10.421 1.00 0.00 H new ATOM 0 HD23 LEU A 31 9.270 -8.497 8.679 1.00 0.00 H new ATOM 488 N LYS A 32 5.895 -4.789 7.481 1.00 0.00 N ATOM 489 CA LYS A 32 4.518 -4.346 7.290 1.00 0.00 C ATOM 490 C LYS A 32 4.417 -3.411 6.093 1.00 0.00 C ATOM 491 O LYS A 32 5.145 -2.430 6.005 1.00 0.00 O ATOM 492 CB LYS A 32 3.994 -3.633 8.543 1.00 0.00 C ATOM 493 CG LYS A 32 4.034 -4.488 9.801 1.00 0.00 C ATOM 494 CD LYS A 32 3.532 -3.726 11.020 1.00 0.00 C ATOM 495 CE LYS A 32 2.040 -3.434 10.936 1.00 0.00 C ATOM 496 NZ LYS A 32 1.232 -4.682 10.892 1.00 0.00 N ATOM 0 H LYS A 32 6.595 -4.051 7.402 1.00 0.00 H new ATOM 0 HA LYS A 32 3.907 -5.230 7.106 1.00 0.00 H new ATOM 0 HB2 LYS A 32 4.584 -2.731 8.709 1.00 0.00 H new ATOM 0 HB3 LYS A 32 2.967 -3.314 8.365 1.00 0.00 H new ATOM 0 HG2 LYS A 32 3.425 -5.380 9.654 1.00 0.00 H new ATOM 0 HG3 LYS A 32 5.055 -4.825 9.979 1.00 0.00 H new ATOM 0 HD2 LYS A 32 3.738 -4.306 11.920 1.00 0.00 H new ATOM 0 HD3 LYS A 32 4.080 -2.788 11.112 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.738 -2.836 11.796 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.836 -2.838 10.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 0.293 -4.502 11.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 1.127 -4.993 9.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 1.711 -5.425 11.440 1.00 0.00 H new ATOM 510 N GLN A 33 3.508 -3.717 5.183 1.00 0.00 N ATOM 511 CA GLN A 33 3.285 -2.874 4.021 1.00 0.00 C ATOM 512 C GLN A 33 1.962 -2.135 4.157 1.00 0.00 C ATOM 513 O GLN A 33 0.899 -2.677 3.849 1.00 0.00 O ATOM 514 CB GLN A 33 3.277 -3.713 2.738 1.00 0.00 C ATOM 515 CG GLN A 33 2.928 -2.922 1.486 1.00 0.00 C ATOM 516 CD GLN A 33 2.789 -3.797 0.254 1.00 0.00 C ATOM 517 OE1 GLN A 33 3.435 -4.834 0.135 1.00 0.00 O ATOM 518 NE2 GLN A 33 1.937 -3.383 -0.673 1.00 0.00 N ATOM 0 H GLN A 33 2.912 -4.544 5.227 1.00 0.00 H new ATOM 0 HA GLN A 33 4.098 -2.150 3.962 1.00 0.00 H new ATOM 0 HB2 GLN A 33 4.259 -4.168 2.607 1.00 0.00 H new ATOM 0 HB3 GLN A 33 2.562 -4.527 2.853 1.00 0.00 H new ATOM 0 HG2 GLN A 33 1.994 -2.384 1.651 1.00 0.00 H new ATOM 0 HG3 GLN A 33 3.700 -2.173 1.308 1.00 0.00 H new ATOM 0 HE21 GLN A 33 1.418 -2.515 -0.538 1.00 0.00 H new ATOM 0 HE22 GLN A 33 1.800 -3.932 -1.522 1.00 0.00 H new ATOM 527 N SER A 34 2.026 -0.907 4.638 1.00 0.00 N ATOM 528 CA SER A 34 0.835 -0.095 4.771 1.00 0.00 C ATOM 529 C SER A 34 0.544 0.616 3.457 1.00 0.00 C ATOM 530 O SER A 34 1.041 1.708 3.198 1.00 0.00 O ATOM 531 CB SER A 34 1.002 0.905 5.916 1.00 0.00 C ATOM 532 OG SER A 34 1.412 0.244 7.103 1.00 0.00 O ATOM 0 H SER A 34 2.888 -0.453 4.941 1.00 0.00 H new ATOM 0 HA SER A 34 -0.014 -0.737 5.008 1.00 0.00 H new ATOM 0 HB2 SER A 34 1.738 1.660 5.641 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.061 1.426 6.091 1.00 0.00 H new ATOM 0 HG SER A 34 1.515 0.900 7.824 1.00 0.00 H new ATOM 538 N SER A 35 -0.255 -0.028 2.625 1.00 0.00 N ATOM 539 CA SER A 35 -0.564 0.473 1.301 1.00 0.00 C ATOM 540 C SER A 35 -1.893 1.207 1.325 1.00 0.00 C ATOM 541 O SER A 35 -2.950 0.588 1.339 1.00 0.00 O ATOM 542 CB SER A 35 -0.623 -0.695 0.310 1.00 0.00 C ATOM 543 OG SER A 35 -0.854 -0.246 -1.013 1.00 0.00 O ATOM 0 H SER A 35 -0.708 -0.914 2.850 1.00 0.00 H new ATOM 0 HA SER A 35 0.215 1.167 0.986 1.00 0.00 H new ATOM 0 HB2 SER A 35 0.313 -1.252 0.347 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.415 -1.383 0.605 1.00 0.00 H new ATOM 0 HG SER A 35 -0.884 -1.016 -1.619 1.00 0.00 H new ATOM 549 N GLU A 36 -1.836 2.524 1.359 1.00 0.00 N ATOM 550 CA GLU A 36 -3.041 3.325 1.423 1.00 0.00 C ATOM 551 C GLU A 36 -3.384 3.894 0.053 1.00 0.00 C ATOM 552 O GLU A 36 -2.696 4.784 -0.455 1.00 0.00 O ATOM 553 CB GLU A 36 -2.868 4.451 2.433 1.00 0.00 C ATOM 554 CG GLU A 36 -2.532 3.972 3.830 1.00 0.00 C ATOM 555 CD GLU A 36 -2.516 5.100 4.835 1.00 0.00 C ATOM 556 OE1 GLU A 36 -3.607 5.483 5.308 1.00 0.00 O ATOM 557 OE2 GLU A 36 -1.420 5.600 5.170 1.00 0.00 O ATOM 0 H GLU A 36 -0.969 3.061 1.343 1.00 0.00 H new ATOM 0 HA GLU A 36 -3.863 2.685 1.743 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.078 5.118 2.088 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.786 5.037 2.471 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -3.261 3.223 4.140 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -1.557 3.484 3.820 1.00 0.00 H new ATOM 564 N THR A 37 -4.436 3.367 -0.542 1.00 0.00 N ATOM 565 CA THR A 37 -4.885 3.820 -1.842 1.00 0.00 C ATOM 566 C THR A 37 -5.944 4.917 -1.687 1.00 0.00 C ATOM 567 O THR A 37 -7.099 4.645 -1.356 1.00 0.00 O ATOM 568 CB THR A 37 -5.452 2.642 -2.663 1.00 0.00 C ATOM 569 OG1 THR A 37 -4.547 1.531 -2.616 1.00 0.00 O ATOM 570 CG2 THR A 37 -5.688 3.037 -4.108 1.00 0.00 C ATOM 0 H THR A 37 -5.000 2.618 -0.141 1.00 0.00 H new ATOM 0 HA THR A 37 -4.029 4.232 -2.376 1.00 0.00 H new ATOM 0 HB THR A 37 -6.408 2.360 -2.223 1.00 0.00 H new ATOM 0 HG1 THR A 37 -5.048 0.709 -2.433 1.00 0.00 H new ATOM 0 HG21 THR A 37 -6.087 2.185 -4.658 1.00 0.00 H new ATOM 0 HG22 THR A 37 -6.401 3.861 -4.148 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.746 3.350 -4.558 1.00 0.00 H new ATOM 578 N LYS A 38 -5.529 6.162 -1.880 1.00 0.00 N ATOM 579 CA LYS A 38 -6.432 7.305 -1.799 1.00 0.00 C ATOM 580 C LYS A 38 -7.181 7.466 -3.116 1.00 0.00 C ATOM 581 O LYS A 38 -6.629 7.968 -4.097 1.00 0.00 O ATOM 582 CB LYS A 38 -5.652 8.580 -1.482 1.00 0.00 C ATOM 583 CG LYS A 38 -6.522 9.819 -1.323 1.00 0.00 C ATOM 584 CD LYS A 38 -6.884 10.085 0.130 1.00 0.00 C ATOM 585 CE LYS A 38 -5.666 10.506 0.939 1.00 0.00 C ATOM 586 NZ LYS A 38 -6.039 11.027 2.281 1.00 0.00 N ATOM 0 H LYS A 38 -4.563 6.408 -2.096 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.150 7.129 -0.998 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -5.085 8.427 -0.564 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -4.928 8.757 -2.277 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -5.997 10.684 -1.729 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -7.435 9.697 -1.906 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -7.643 10.866 0.180 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -7.321 9.187 0.568 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -4.996 9.654 1.055 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -5.116 11.272 0.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -5.210 11.472 2.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -6.798 11.731 2.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -6.371 10.243 2.878 1.00 0.00 H new ATOM 600 N ILE A 39 -8.425 7.024 -3.139 1.00 0.00 N ATOM 601 CA ILE A 39 -9.221 7.037 -4.355 1.00 0.00 C ATOM 602 C ILE A 39 -10.211 8.196 -4.344 1.00 0.00 C ATOM 603 O ILE A 39 -11.103 8.250 -3.494 1.00 0.00 O ATOM 604 CB ILE A 39 -10.000 5.715 -4.513 1.00 0.00 C ATOM 605 CG1 ILE A 39 -9.051 4.522 -4.378 1.00 0.00 C ATOM 606 CG2 ILE A 39 -10.717 5.675 -5.857 1.00 0.00 C ATOM 607 CD1 ILE A 39 -9.760 3.192 -4.224 1.00 0.00 C ATOM 0 H ILE A 39 -8.910 6.649 -2.324 1.00 0.00 H new ATOM 0 HA ILE A 39 -8.535 7.156 -5.193 1.00 0.00 H new ATOM 0 HB ILE A 39 -10.748 5.656 -3.723 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -8.407 4.480 -5.257 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -8.404 4.680 -3.515 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -11.261 4.735 -5.951 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -11.417 6.508 -5.921 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -9.986 5.753 -6.662 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -9.022 2.395 -4.134 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -10.383 3.213 -3.330 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -10.386 3.010 -5.098 1.00 0.00 H new ATOM 619 N GLN A 40 -10.042 9.130 -5.270 1.00 0.00 N ATOM 620 CA GLN A 40 -11.014 10.198 -5.444 1.00 0.00 C ATOM 621 C GLN A 40 -12.282 9.635 -6.076 1.00 0.00 C ATOM 622 O GLN A 40 -12.219 8.756 -6.941 1.00 0.00 O ATOM 623 CB GLN A 40 -10.456 11.335 -6.309 1.00 0.00 C ATOM 624 CG GLN A 40 -9.589 12.340 -5.557 1.00 0.00 C ATOM 625 CD GLN A 40 -8.228 11.798 -5.161 1.00 0.00 C ATOM 626 OE1 GLN A 40 -7.269 11.884 -5.925 1.00 0.00 O ATOM 627 NE2 GLN A 40 -8.126 11.267 -3.954 1.00 0.00 N ATOM 0 H GLN A 40 -9.247 9.169 -5.908 1.00 0.00 H new ATOM 0 HA GLN A 40 -11.243 10.612 -4.462 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -9.868 10.903 -7.119 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -11.289 11.866 -6.769 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -9.451 13.224 -6.179 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -10.117 12.662 -4.659 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -8.946 11.214 -3.349 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -7.228 10.911 -3.628 1.00 0.00 H new ATOM 636 N PHE A 41 -13.432 10.148 -5.656 1.00 0.00 N ATOM 637 CA PHE A 41 -14.719 9.636 -6.122 1.00 0.00 C ATOM 638 C PHE A 41 -14.925 9.855 -7.618 1.00 0.00 C ATOM 639 O PHE A 41 -15.802 9.238 -8.222 1.00 0.00 O ATOM 640 CB PHE A 41 -15.866 10.271 -5.338 1.00 0.00 C ATOM 641 CG PHE A 41 -16.097 9.647 -3.988 1.00 0.00 C ATOM 642 CD1 PHE A 41 -15.304 8.599 -3.544 1.00 0.00 C ATOM 643 CD2 PHE A 41 -17.118 10.101 -3.171 1.00 0.00 C ATOM 644 CE1 PHE A 41 -15.526 8.020 -2.311 1.00 0.00 C ATOM 645 CE2 PHE A 41 -17.342 9.526 -1.936 1.00 0.00 C ATOM 646 CZ PHE A 41 -16.545 8.484 -1.506 1.00 0.00 C ATOM 0 H PHE A 41 -13.502 10.920 -4.992 1.00 0.00 H new ATOM 0 HA PHE A 41 -14.713 8.560 -5.947 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -15.660 11.333 -5.207 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -16.781 10.194 -5.925 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -14.504 8.232 -4.170 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -17.746 10.914 -3.503 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -14.902 7.204 -1.977 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -18.140 9.891 -1.307 1.00 0.00 H new ATOM 0 HZ PHE A 41 -16.719 8.033 -0.540 1.00 0.00 H new ATOM 656 N ALA A 42 -14.108 10.712 -8.215 1.00 0.00 N ATOM 657 CA ALA A 42 -14.212 11.003 -9.639 1.00 0.00 C ATOM 658 C ALA A 42 -13.826 9.791 -10.486 1.00 0.00 C ATOM 659 O ALA A 42 -14.374 9.580 -11.567 1.00 0.00 O ATOM 660 CB ALA A 42 -13.337 12.196 -9.994 1.00 0.00 C ATOM 0 H ALA A 42 -13.365 11.219 -7.735 1.00 0.00 H new ATOM 0 HA ALA A 42 -15.252 11.244 -9.858 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -13.422 12.405 -11.060 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -13.662 13.068 -9.426 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -12.299 11.971 -9.750 1.00 0.00 H new ATOM 666 N SER A 43 -12.899 8.985 -9.985 1.00 0.00 N ATOM 667 CA SER A 43 -12.396 7.842 -10.737 1.00 0.00 C ATOM 668 C SER A 43 -13.290 6.613 -10.551 1.00 0.00 C ATOM 669 O SER A 43 -13.312 5.717 -11.396 1.00 0.00 O ATOM 670 CB SER A 43 -10.964 7.526 -10.301 1.00 0.00 C ATOM 671 OG SER A 43 -10.131 8.669 -10.433 1.00 0.00 O ATOM 0 H SER A 43 -12.480 9.101 -9.062 1.00 0.00 H new ATOM 0 HA SER A 43 -12.404 8.100 -11.796 1.00 0.00 H new ATOM 0 HB2 SER A 43 -10.961 7.187 -9.265 1.00 0.00 H new ATOM 0 HB3 SER A 43 -10.567 6.710 -10.905 1.00 0.00 H new ATOM 0 HG SER A 43 -9.221 8.445 -10.147 1.00 0.00 H new ATOM 677 N ILE A 44 -14.031 6.578 -9.452 1.00 0.00 N ATOM 678 CA ILE A 44 -14.884 5.433 -9.151 1.00 0.00 C ATOM 679 C ILE A 44 -16.344 5.713 -9.528 1.00 0.00 C ATOM 680 O ILE A 44 -17.110 4.795 -9.825 1.00 0.00 O ATOM 681 CB ILE A 44 -14.774 5.041 -7.654 1.00 0.00 C ATOM 682 CG1 ILE A 44 -15.664 3.834 -7.333 1.00 0.00 C ATOM 683 CG2 ILE A 44 -15.128 6.220 -6.761 1.00 0.00 C ATOM 684 CD1 ILE A 44 -15.566 3.371 -5.893 1.00 0.00 C ATOM 0 H ILE A 44 -14.060 7.324 -8.757 1.00 0.00 H new ATOM 0 HA ILE A 44 -14.536 4.594 -9.753 1.00 0.00 H new ATOM 0 HB ILE A 44 -13.740 4.759 -7.457 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -16.701 4.089 -7.554 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -15.392 3.008 -7.990 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -15.044 5.923 -5.716 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -14.444 7.045 -6.960 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -16.150 6.538 -6.967 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -16.223 2.515 -5.741 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -14.538 3.084 -5.672 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -15.867 4.181 -5.229 1.00 0.00 H new ATOM 696 N GLY A 45 -16.718 6.987 -9.545 1.00 0.00 N ATOM 697 CA GLY A 45 -18.085 7.351 -9.865 1.00 0.00 C ATOM 698 C GLY A 45 -18.978 7.308 -8.643 1.00 0.00 C ATOM 699 O GLY A 45 -20.157 6.968 -8.729 1.00 0.00 O ATOM 0 H GLY A 45 -16.100 7.773 -9.343 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -18.104 8.353 -10.294 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -18.474 6.672 -10.624 1.00 0.00 H new ATOM 703 N ALA A 46 -18.406 7.654 -7.502 1.00 0.00 N ATOM 704 CA ALA A 46 -19.125 7.617 -6.241 1.00 0.00 C ATOM 705 C ALA A 46 -19.542 9.021 -5.831 1.00 0.00 C ATOM 706 O ALA A 46 -18.846 9.990 -6.131 1.00 0.00 O ATOM 707 CB ALA A 46 -18.253 6.985 -5.168 1.00 0.00 C ATOM 0 H ALA A 46 -17.438 7.966 -7.424 1.00 0.00 H new ATOM 0 HA ALA A 46 -20.025 7.014 -6.362 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -18.798 6.960 -4.224 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -17.992 5.969 -5.463 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -17.343 7.572 -5.046 1.00 0.00 H new ATOM 713 N THR A 47 -20.683 9.137 -5.169 1.00 0.00 N ATOM 714 CA THR A 47 -21.151 10.434 -4.706 1.00 0.00 C ATOM 715 C THR A 47 -20.907 10.616 -3.207 1.00 0.00 C ATOM 716 O THR A 47 -20.521 11.697 -2.761 1.00 0.00 O ATOM 717 CB THR A 47 -22.648 10.641 -5.016 1.00 0.00 C ATOM 718 OG1 THR A 47 -23.431 9.591 -4.432 1.00 0.00 O ATOM 719 CG2 THR A 47 -22.889 10.682 -6.518 1.00 0.00 C ATOM 0 H THR A 47 -21.298 8.355 -4.942 1.00 0.00 H new ATOM 0 HA THR A 47 -20.576 11.185 -5.248 1.00 0.00 H new ATOM 0 HB THR A 47 -22.950 11.595 -4.585 1.00 0.00 H new ATOM 0 HG1 THR A 47 -23.243 8.747 -4.894 1.00 0.00 H new ATOM 0 HG21 THR A 47 -23.951 10.829 -6.712 1.00 0.00 H new ATOM 0 HG22 THR A 47 -22.323 11.505 -6.955 1.00 0.00 H new ATOM 0 HG23 THR A 47 -22.565 9.742 -6.964 1.00 0.00 H new ATOM 727 N THR A 48 -21.104 9.551 -2.435 1.00 0.00 N ATOM 728 CA THR A 48 -20.969 9.627 -0.990 1.00 0.00 C ATOM 729 C THR A 48 -20.243 8.401 -0.453 1.00 0.00 C ATOM 730 O THR A 48 -19.846 7.518 -1.220 1.00 0.00 O ATOM 731 CB THR A 48 -22.342 9.767 -0.292 1.00 0.00 C ATOM 732 OG1 THR A 48 -23.258 8.767 -0.766 1.00 0.00 O ATOM 733 CG2 THR A 48 -22.936 11.151 -0.519 1.00 0.00 C ATOM 0 H THR A 48 -21.357 8.628 -2.788 1.00 0.00 H new ATOM 0 HA THR A 48 -20.383 10.519 -0.769 1.00 0.00 H new ATOM 0 HB THR A 48 -22.181 9.627 0.777 1.00 0.00 H new ATOM 0 HG1 THR A 48 -22.761 8.061 -1.229 1.00 0.00 H new ATOM 0 HG21 THR A 48 -23.901 11.220 -0.017 1.00 0.00 H new ATOM 0 HG22 THR A 48 -22.262 11.907 -0.115 1.00 0.00 H new ATOM 0 HG23 THR A 48 -23.071 11.318 -1.588 1.00 0.00 H new ATOM 741 N LYS A 49 -20.069 8.351 0.861 1.00 0.00 N ATOM 742 CA LYS A 49 -19.339 7.265 1.501 1.00 0.00 C ATOM 743 C LYS A 49 -19.994 5.907 1.245 1.00 0.00 C ATOM 744 O LYS A 49 -19.304 4.895 1.127 1.00 0.00 O ATOM 745 CB LYS A 49 -19.218 7.520 3.006 1.00 0.00 C ATOM 746 CG LYS A 49 -20.550 7.594 3.734 1.00 0.00 C ATOM 747 CD LYS A 49 -20.362 7.838 5.221 1.00 0.00 C ATOM 748 CE LYS A 49 -19.629 9.142 5.486 1.00 0.00 C ATOM 749 NZ LYS A 49 -20.343 10.313 4.912 1.00 0.00 N ATOM 0 H LYS A 49 -20.426 9.054 1.508 1.00 0.00 H new ATOM 0 HA LYS A 49 -18.342 7.237 1.060 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -18.617 6.727 3.451 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -18.679 8.454 3.163 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -21.155 8.394 3.307 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -21.099 6.665 3.584 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -21.335 7.861 5.712 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -19.803 7.011 5.658 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -19.513 9.280 6.561 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -18.626 9.086 5.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -19.807 11.181 5.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -20.431 10.195 3.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -21.291 10.383 5.335 1.00 0.00 H new ATOM 763 N GLU A 50 -21.321 5.882 1.149 1.00 0.00 N ATOM 764 CA GLU A 50 -22.035 4.630 0.923 1.00 0.00 C ATOM 765 C GLU A 50 -21.775 4.090 -0.473 1.00 0.00 C ATOM 766 O GLU A 50 -21.672 2.884 -0.656 1.00 0.00 O ATOM 767 CB GLU A 50 -23.533 4.791 1.154 1.00 0.00 C ATOM 768 CG GLU A 50 -23.881 5.111 2.592 1.00 0.00 C ATOM 769 CD GLU A 50 -25.335 4.856 2.910 1.00 0.00 C ATOM 770 OE1 GLU A 50 -26.171 4.917 1.988 1.00 0.00 O ATOM 771 OE2 GLU A 50 -25.646 4.574 4.087 1.00 0.00 O ATOM 0 H GLU A 50 -21.918 6.706 1.223 1.00 0.00 H new ATOM 0 HA GLU A 50 -21.654 3.910 1.647 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -23.911 5.585 0.510 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -24.041 3.873 0.859 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -23.258 4.511 3.255 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -23.647 6.156 2.794 1.00 0.00 H new ATOM 778 N ASP A 51 -21.664 4.983 -1.451 1.00 0.00 N ATOM 779 CA ASP A 51 -21.312 4.592 -2.818 1.00 0.00 C ATOM 780 C ASP A 51 -20.005 3.822 -2.799 1.00 0.00 C ATOM 781 O ASP A 51 -19.876 2.746 -3.384 1.00 0.00 O ATOM 782 CB ASP A 51 -21.120 5.819 -3.710 1.00 0.00 C ATOM 783 CG ASP A 51 -22.320 6.732 -3.787 1.00 0.00 C ATOM 784 OD1 ASP A 51 -22.813 7.165 -2.729 1.00 0.00 O ATOM 785 OD2 ASP A 51 -22.729 7.084 -4.911 1.00 0.00 O ATOM 0 H ASP A 51 -21.812 5.984 -1.326 1.00 0.00 H new ATOM 0 HA ASP A 51 -22.124 3.981 -3.212 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -20.268 6.390 -3.342 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -20.869 5.485 -4.717 1.00 0.00 H new ATOM 790 N ALA A 52 -19.041 4.401 -2.099 1.00 0.00 N ATOM 791 CA ALA A 52 -17.715 3.828 -1.974 1.00 0.00 C ATOM 792 C ALA A 52 -17.764 2.487 -1.250 1.00 0.00 C ATOM 793 O ALA A 52 -17.066 1.547 -1.624 1.00 0.00 O ATOM 794 CB ALA A 52 -16.807 4.803 -1.246 1.00 0.00 C ATOM 0 H ALA A 52 -19.159 5.284 -1.602 1.00 0.00 H new ATOM 0 HA ALA A 52 -17.314 3.647 -2.971 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -15.810 4.372 -1.152 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -16.748 5.735 -1.809 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -17.210 5.004 -0.253 1.00 0.00 H new ATOM 800 N ALA A 53 -18.599 2.403 -0.221 1.00 0.00 N ATOM 801 CA ALA A 53 -18.769 1.163 0.525 1.00 0.00 C ATOM 802 C ALA A 53 -19.393 0.082 -0.352 1.00 0.00 C ATOM 803 O ALA A 53 -18.907 -1.044 -0.401 1.00 0.00 O ATOM 804 CB ALA A 53 -19.620 1.401 1.763 1.00 0.00 C ATOM 0 H ALA A 53 -19.169 3.179 0.115 1.00 0.00 H new ATOM 0 HA ALA A 53 -17.784 0.818 0.840 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -19.738 0.465 2.309 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -19.133 2.136 2.404 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -20.600 1.773 1.465 1.00 0.00 H new ATOM 810 N LYS A 54 -20.446 0.449 -1.073 1.00 0.00 N ATOM 811 CA LYS A 54 -21.148 -0.471 -1.967 1.00 0.00 C ATOM 812 C LYS A 54 -20.196 -1.089 -2.988 1.00 0.00 C ATOM 813 O LYS A 54 -20.460 -2.162 -3.531 1.00 0.00 O ATOM 814 CB LYS A 54 -22.275 0.269 -2.696 1.00 0.00 C ATOM 815 CG LYS A 54 -23.462 0.615 -1.808 1.00 0.00 C ATOM 816 CD LYS A 54 -24.340 -0.599 -1.551 1.00 0.00 C ATOM 817 CE LYS A 54 -24.985 -1.095 -2.836 1.00 0.00 C ATOM 818 NZ LYS A 54 -25.814 -2.307 -2.613 1.00 0.00 N ATOM 0 H LYS A 54 -20.838 1.390 -1.056 1.00 0.00 H new ATOM 0 HA LYS A 54 -21.567 -1.275 -1.361 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -21.875 1.188 -3.125 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -22.622 -0.346 -3.526 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -23.103 1.013 -0.859 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -24.054 1.400 -2.280 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -23.742 -1.397 -1.110 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -25.114 -0.344 -0.827 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -25.605 -0.305 -3.258 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -24.209 -1.317 -3.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -26.234 -2.611 -3.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -25.218 -3.070 -2.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -26.571 -2.090 -1.934 1.00 0.00 H new ATOM 832 N THR A 55 -19.091 -0.406 -3.240 1.00 0.00 N ATOM 833 CA THR A 55 -18.104 -0.880 -4.191 1.00 0.00 C ATOM 834 C THR A 55 -16.941 -1.598 -3.494 1.00 0.00 C ATOM 835 O THR A 55 -16.577 -2.712 -3.871 1.00 0.00 O ATOM 836 CB THR A 55 -17.551 0.290 -5.027 1.00 0.00 C ATOM 837 OG1 THR A 55 -18.632 0.979 -5.674 1.00 0.00 O ATOM 838 CG2 THR A 55 -16.559 -0.202 -6.071 1.00 0.00 C ATOM 0 H THR A 55 -18.856 0.482 -2.796 1.00 0.00 H new ATOM 0 HA THR A 55 -18.607 -1.592 -4.845 1.00 0.00 H new ATOM 0 HB THR A 55 -17.031 0.972 -4.355 1.00 0.00 H new ATOM 0 HG1 THR A 55 -19.084 1.559 -5.027 1.00 0.00 H new ATOM 0 HG21 THR A 55 -16.185 0.645 -6.646 1.00 0.00 H new ATOM 0 HG22 THR A 55 -15.726 -0.700 -5.575 1.00 0.00 H new ATOM 0 HG23 THR A 55 -17.054 -0.905 -6.741 1.00 0.00 H new ATOM 846 N LEU A 56 -16.370 -0.972 -2.472 1.00 0.00 N ATOM 847 CA LEU A 56 -15.121 -1.459 -1.894 1.00 0.00 C ATOM 848 C LEU A 56 -15.330 -2.403 -0.708 1.00 0.00 C ATOM 849 O LEU A 56 -14.378 -3.020 -0.240 1.00 0.00 O ATOM 850 CB LEU A 56 -14.229 -0.292 -1.472 1.00 0.00 C ATOM 851 CG LEU A 56 -13.956 0.750 -2.560 1.00 0.00 C ATOM 852 CD1 LEU A 56 -13.118 1.890 -2.005 1.00 0.00 C ATOM 853 CD2 LEU A 56 -13.260 0.113 -3.754 1.00 0.00 C ATOM 0 H LEU A 56 -16.747 -0.134 -2.029 1.00 0.00 H new ATOM 0 HA LEU A 56 -14.631 -2.035 -2.679 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -14.692 0.208 -0.621 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -13.275 -0.691 -1.127 1.00 0.00 H new ATOM 0 HG LEU A 56 -14.912 1.152 -2.895 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -12.933 2.622 -2.791 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -13.652 2.367 -1.183 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -12.167 1.499 -1.642 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -13.076 0.871 -4.515 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -12.311 -0.319 -3.435 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -13.894 -0.671 -4.169 1.00 0.00 H new ATOM 865 N GLU A 57 -16.549 -2.527 -0.204 1.00 0.00 N ATOM 866 CA GLU A 57 -16.803 -3.500 0.857 1.00 0.00 C ATOM 867 C GLU A 57 -16.748 -4.928 0.308 1.00 0.00 C ATOM 868 O GLU A 57 -16.146 -5.805 0.927 1.00 0.00 O ATOM 869 CB GLU A 57 -18.125 -3.236 1.576 1.00 0.00 C ATOM 870 CG GLU A 57 -18.098 -1.982 2.428 1.00 0.00 C ATOM 871 CD GLU A 57 -19.261 -1.908 3.394 1.00 0.00 C ATOM 872 OE1 GLU A 57 -20.411 -2.123 2.964 1.00 0.00 O ATOM 873 OE2 GLU A 57 -19.034 -1.627 4.589 1.00 0.00 O ATOM 0 H GLU A 57 -17.360 -1.984 -0.500 1.00 0.00 H new ATOM 0 HA GLU A 57 -16.012 -3.386 1.598 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -18.922 -3.150 0.838 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -18.366 -4.092 2.207 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -17.163 -1.948 2.988 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -18.113 -1.106 1.779 1.00 0.00 H new ATOM 880 N PRO A 58 -17.388 -5.198 -0.850 1.00 0.00 N ATOM 881 CA PRO A 58 -17.143 -6.427 -1.608 1.00 0.00 C ATOM 882 C PRO A 58 -15.644 -6.685 -1.807 1.00 0.00 C ATOM 883 O PRO A 58 -15.197 -7.833 -1.857 1.00 0.00 O ATOM 884 CB PRO A 58 -17.807 -6.155 -2.957 1.00 0.00 C ATOM 885 CG PRO A 58 -18.874 -5.151 -2.682 1.00 0.00 C ATOM 886 CD PRO A 58 -18.454 -4.379 -1.456 1.00 0.00 C ATOM 0 HA PRO A 58 -17.532 -7.307 -1.095 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -17.086 -5.773 -3.679 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -18.227 -7.068 -3.379 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -19.001 -4.482 -3.533 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -19.832 -5.643 -2.517 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -18.090 -3.385 -1.718 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -19.288 -4.242 -0.768 1.00 0.00 H new ATOM 894 N LEU A 59 -14.877 -5.603 -1.909 1.00 0.00 N ATOM 895 CA LEU A 59 -13.436 -5.692 -2.099 1.00 0.00 C ATOM 896 C LEU A 59 -12.738 -6.090 -0.800 1.00 0.00 C ATOM 897 O LEU A 59 -11.894 -6.981 -0.794 1.00 0.00 O ATOM 898 CB LEU A 59 -12.882 -4.359 -2.605 1.00 0.00 C ATOM 899 CG LEU A 59 -11.404 -4.377 -2.987 1.00 0.00 C ATOM 900 CD1 LEU A 59 -11.179 -5.311 -4.161 1.00 0.00 C ATOM 901 CD2 LEU A 59 -10.922 -2.975 -3.317 1.00 0.00 C ATOM 0 H LEU A 59 -15.235 -4.649 -1.863 1.00 0.00 H new ATOM 0 HA LEU A 59 -13.241 -6.463 -2.845 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -13.462 -4.048 -3.474 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -13.033 -3.604 -1.834 1.00 0.00 H new ATOM 0 HG LEU A 59 -10.828 -4.743 -2.137 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -10.121 -5.316 -4.425 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -11.490 -6.320 -3.888 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -11.764 -4.970 -5.015 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -9.866 -3.007 -3.587 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -11.499 -2.579 -4.153 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -11.055 -2.331 -2.448 1.00 0.00 H new ATOM 913 N SER A 60 -13.103 -5.444 0.302 1.00 0.00 N ATOM 914 CA SER A 60 -12.525 -5.771 1.603 1.00 0.00 C ATOM 915 C SER A 60 -12.939 -7.172 2.048 1.00 0.00 C ATOM 916 O SER A 60 -12.319 -7.776 2.926 1.00 0.00 O ATOM 917 CB SER A 60 -12.928 -4.726 2.647 1.00 0.00 C ATOM 918 OG SER A 60 -14.288 -4.349 2.508 1.00 0.00 O ATOM 0 H SER A 60 -13.794 -4.694 0.322 1.00 0.00 H new ATOM 0 HA SER A 60 -11.439 -5.758 1.507 1.00 0.00 H new ATOM 0 HB2 SER A 60 -12.761 -5.126 3.647 1.00 0.00 H new ATOM 0 HB3 SER A 60 -12.293 -3.846 2.546 1.00 0.00 H new ATOM 0 HG SER A 60 -14.778 -5.058 2.042 1.00 0.00 H new ATOM 924 N ALA A 61 -13.981 -7.700 1.415 1.00 0.00 N ATOM 925 CA ALA A 61 -14.409 -9.071 1.651 1.00 0.00 C ATOM 926 C ALA A 61 -13.420 -10.063 1.036 1.00 0.00 C ATOM 927 O ALA A 61 -13.622 -11.274 1.096 1.00 0.00 O ATOM 928 CB ALA A 61 -15.807 -9.293 1.090 1.00 0.00 C ATOM 0 H ALA A 61 -14.546 -7.195 0.732 1.00 0.00 H new ATOM 0 HA ALA A 61 -14.435 -9.241 2.727 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -16.114 -10.323 1.274 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -16.507 -8.614 1.577 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -15.803 -9.102 0.017 1.00 0.00 H new ATOM 934 N LYS A 62 -12.358 -9.543 0.427 1.00 0.00 N ATOM 935 CA LYS A 62 -11.293 -10.385 -0.096 1.00 0.00 C ATOM 936 C LYS A 62 -10.242 -10.634 0.983 1.00 0.00 C ATOM 937 O LYS A 62 -9.786 -11.763 1.163 1.00 0.00 O ATOM 938 CB LYS A 62 -10.624 -9.743 -1.320 1.00 0.00 C ATOM 939 CG LYS A 62 -11.548 -9.497 -2.513 1.00 0.00 C ATOM 940 CD LYS A 62 -12.073 -10.790 -3.120 1.00 0.00 C ATOM 941 CE LYS A 62 -13.386 -11.220 -2.488 1.00 0.00 C ATOM 942 NZ LYS A 62 -14.511 -10.316 -2.849 1.00 0.00 N ATOM 0 H LYS A 62 -12.214 -8.543 0.285 1.00 0.00 H new ATOM 0 HA LYS A 62 -11.738 -11.332 -0.402 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -10.186 -8.792 -1.018 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -9.803 -10.383 -1.643 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -12.389 -8.881 -2.196 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -11.010 -8.934 -3.275 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -12.213 -10.657 -4.193 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -11.332 -11.579 -2.991 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -13.623 -12.236 -2.805 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -13.274 -11.242 -1.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -15.414 -10.807 -2.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -14.475 -9.463 -2.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -14.431 -10.045 -3.850 1.00 0.00 H new ATOM 956 N TYR A 63 -9.883 -9.579 1.715 1.00 0.00 N ATOM 957 CA TYR A 63 -8.803 -9.650 2.700 1.00 0.00 C ATOM 958 C TYR A 63 -9.313 -10.028 4.086 1.00 0.00 C ATOM 959 O TYR A 63 -8.531 -10.074 5.035 1.00 0.00 O ATOM 960 CB TYR A 63 -8.076 -8.305 2.822 1.00 0.00 C ATOM 961 CG TYR A 63 -7.397 -7.819 1.563 1.00 0.00 C ATOM 962 CD1 TYR A 63 -8.112 -7.175 0.561 1.00 0.00 C ATOM 963 CD2 TYR A 63 -6.030 -7.977 1.396 1.00 0.00 C ATOM 964 CE1 TYR A 63 -7.482 -6.704 -0.572 1.00 0.00 C ATOM 965 CE2 TYR A 63 -5.392 -7.514 0.264 1.00 0.00 C ATOM 966 CZ TYR A 63 -6.122 -6.877 -0.719 1.00 0.00 C ATOM 967 OH TYR A 63 -5.489 -6.402 -1.844 1.00 0.00 O ATOM 0 H TYR A 63 -10.326 -8.663 1.644 1.00 0.00 H new ATOM 0 HA TYR A 63 -8.122 -10.421 2.341 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -8.795 -7.550 3.141 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -7.327 -8.386 3.610 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -9.178 -7.041 0.671 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -5.455 -8.471 2.165 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -8.051 -6.202 -1.340 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -4.327 -7.649 0.148 1.00 0.00 H new ATOM 0 HH TYR A 63 -4.705 -6.957 -2.037 1.00 0.00 H new ATOM 977 N LYS A 64 -10.608 -10.300 4.206 1.00 0.00 N ATOM 978 CA LYS A 64 -11.217 -10.497 5.519 1.00 0.00 C ATOM 979 C LYS A 64 -10.560 -11.664 6.280 1.00 0.00 C ATOM 980 O LYS A 64 -10.736 -12.840 5.953 1.00 0.00 O ATOM 981 CB LYS A 64 -12.755 -10.641 5.407 1.00 0.00 C ATOM 982 CG LYS A 64 -13.295 -12.038 5.101 1.00 0.00 C ATOM 983 CD LYS A 64 -12.773 -12.609 3.793 1.00 0.00 C ATOM 984 CE LYS A 64 -13.302 -14.018 3.571 1.00 0.00 C ATOM 985 NZ LYS A 64 -13.024 -14.911 4.730 1.00 0.00 N ATOM 0 H LYS A 64 -11.252 -10.389 3.420 1.00 0.00 H new ATOM 0 HA LYS A 64 -11.030 -9.603 6.115 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -13.197 -10.303 6.344 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -13.104 -9.963 4.628 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -13.027 -12.710 5.916 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -14.384 -12.000 5.064 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -13.074 -11.968 2.965 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -11.683 -12.622 3.806 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -14.377 -13.977 3.395 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -12.848 -14.438 2.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -12.831 -15.874 4.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -12.197 -14.556 5.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -13.850 -14.927 5.362 1.00 0.00 H new ATOM 999 N ASN A 65 -9.753 -11.295 7.271 1.00 0.00 N ATOM 1000 CA ASN A 65 -9.026 -12.239 8.119 1.00 0.00 C ATOM 1001 C ASN A 65 -8.261 -13.275 7.290 1.00 0.00 C ATOM 1002 O ASN A 65 -8.584 -14.465 7.298 1.00 0.00 O ATOM 1003 CB ASN A 65 -9.977 -12.932 9.102 1.00 0.00 C ATOM 1004 CG ASN A 65 -9.241 -13.614 10.243 1.00 0.00 C ATOM 1005 OD1 ASN A 65 -8.893 -14.794 10.165 1.00 0.00 O ATOM 1006 ND2 ASN A 65 -8.997 -12.875 11.315 1.00 0.00 N ATOM 0 H ASN A 65 -9.582 -10.319 7.512 1.00 0.00 H new ATOM 0 HA ASN A 65 -8.294 -11.667 8.688 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -10.671 -12.197 9.510 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -10.573 -13.670 8.566 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -8.506 -13.279 12.112 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -9.300 -11.902 11.343 1.00 0.00 H new ATOM 1013 N ILE A 66 -7.273 -12.808 6.536 1.00 0.00 N ATOM 1014 CA ILE A 66 -6.370 -13.710 5.828 1.00 0.00 C ATOM 1015 C ILE A 66 -5.116 -13.918 6.662 1.00 0.00 C ATOM 1016 O ILE A 66 -4.956 -14.933 7.332 1.00 0.00 O ATOM 1017 CB ILE A 66 -5.960 -13.169 4.437 1.00 0.00 C ATOM 1018 CG1 ILE A 66 -7.192 -12.851 3.592 1.00 0.00 C ATOM 1019 CG2 ILE A 66 -5.066 -14.172 3.716 1.00 0.00 C ATOM 1020 CD1 ILE A 66 -6.860 -12.431 2.175 1.00 0.00 C ATOM 0 H ILE A 66 -7.077 -11.817 6.399 1.00 0.00 H new ATOM 0 HA ILE A 66 -6.902 -14.649 5.675 1.00 0.00 H new ATOM 0 HB ILE A 66 -5.399 -12.246 4.584 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -7.838 -13.729 3.561 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -7.759 -12.055 4.075 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -4.787 -13.775 2.740 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -4.167 -14.348 4.306 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -5.604 -15.111 3.586 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -7.782 -12.221 1.632 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -6.239 -11.535 2.197 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -6.320 -13.235 1.674 1.00 0.00 H new ATOM 1032 N ALA A 67 -4.252 -12.923 6.634 1.00 0.00 N ATOM 1033 CA ALA A 67 -3.030 -12.927 7.417 1.00 0.00 C ATOM 1034 C ALA A 67 -3.021 -11.712 8.325 1.00 0.00 C ATOM 1035 O ALA A 67 -4.074 -11.285 8.799 1.00 0.00 O ATOM 1036 CB ALA A 67 -1.828 -12.905 6.490 1.00 0.00 C ATOM 0 H ALA A 67 -4.377 -12.085 6.066 1.00 0.00 H new ATOM 0 HA ALA A 67 -2.981 -13.830 8.026 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -0.912 -12.908 7.081 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -1.848 -13.785 5.847 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -1.859 -12.006 5.875 1.00 0.00 H new ATOM 1042 N GLY A 68 -1.845 -11.146 8.554 1.00 0.00 N ATOM 1043 CA GLY A 68 -1.762 -9.877 9.248 1.00 0.00 C ATOM 1044 C GLY A 68 -2.159 -8.732 8.334 1.00 0.00 C ATOM 1045 O GLY A 68 -1.449 -7.737 8.218 1.00 0.00 O ATOM 0 H GLY A 68 -0.948 -11.542 8.272 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -2.414 -9.893 10.122 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -0.746 -9.722 9.611 1.00 0.00 H new ATOM 1049 N VAL A 69 -3.294 -8.895 7.667 1.00 0.00 N ATOM 1050 CA VAL A 69 -3.781 -7.912 6.722 1.00 0.00 C ATOM 1051 C VAL A 69 -4.791 -6.986 7.399 1.00 0.00 C ATOM 1052 O VAL A 69 -5.941 -7.354 7.642 1.00 0.00 O ATOM 1053 CB VAL A 69 -4.401 -8.580 5.460 1.00 0.00 C ATOM 1054 CG1 VAL A 69 -3.319 -9.225 4.603 1.00 0.00 C ATOM 1055 CG2 VAL A 69 -5.446 -9.620 5.832 1.00 0.00 C ATOM 0 H VAL A 69 -3.897 -9.711 7.769 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.929 -7.320 6.386 1.00 0.00 H new ATOM 0 HB VAL A 69 -4.890 -7.792 4.887 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -3.775 -9.686 3.727 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -2.606 -8.465 4.284 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -2.800 -9.987 5.185 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -5.856 -10.064 4.925 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -4.985 -10.398 6.441 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -6.247 -9.144 6.397 1.00 0.00 H new ATOM 1065 N GLU A 70 -4.334 -5.799 7.751 1.00 0.00 N ATOM 1066 CA GLU A 70 -5.182 -4.817 8.406 1.00 0.00 C ATOM 1067 C GLU A 70 -5.756 -3.868 7.368 1.00 0.00 C ATOM 1068 O GLU A 70 -5.035 -3.044 6.809 1.00 0.00 O ATOM 1069 CB GLU A 70 -4.380 -4.031 9.445 1.00 0.00 C ATOM 1070 CG GLU A 70 -3.622 -4.908 10.428 1.00 0.00 C ATOM 1071 CD GLU A 70 -2.543 -4.149 11.171 1.00 0.00 C ATOM 1072 OE1 GLU A 70 -2.861 -3.140 11.830 1.00 0.00 O ATOM 1073 OE2 GLU A 70 -1.369 -4.567 11.112 1.00 0.00 O ATOM 0 H GLU A 70 -3.375 -5.489 7.594 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.997 -5.334 8.914 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -3.671 -3.383 8.929 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -5.059 -3.383 9.999 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -4.323 -5.332 11.146 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -3.171 -5.743 9.892 1.00 0.00 H new ATOM 1080 N GLU A 71 -7.040 -4.007 7.086 1.00 0.00 N ATOM 1081 CA GLU A 71 -7.688 -3.161 6.102 1.00 0.00 C ATOM 1082 C GLU A 71 -8.661 -2.211 6.789 1.00 0.00 C ATOM 1083 O GLU A 71 -9.492 -2.628 7.598 1.00 0.00 O ATOM 1084 CB GLU A 71 -8.415 -4.012 5.062 1.00 0.00 C ATOM 1085 CG GLU A 71 -8.891 -3.220 3.856 1.00 0.00 C ATOM 1086 CD GLU A 71 -9.608 -4.080 2.839 1.00 0.00 C ATOM 1087 OE1 GLU A 71 -9.530 -5.323 2.943 1.00 0.00 O ATOM 1088 OE2 GLU A 71 -10.258 -3.514 1.938 1.00 0.00 O ATOM 0 H GLU A 71 -7.652 -4.696 7.524 1.00 0.00 H new ATOM 0 HA GLU A 71 -6.927 -2.572 5.591 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -7.750 -4.807 4.725 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -9.273 -4.493 5.533 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -9.559 -2.425 4.189 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -8.035 -2.740 3.381 1.00 0.00 H new ATOM 1095 N LYS A 72 -8.537 -0.936 6.472 1.00 0.00 N ATOM 1096 CA LYS A 72 -9.360 0.092 7.078 1.00 0.00 C ATOM 1097 C LYS A 72 -9.919 1.009 5.998 1.00 0.00 C ATOM 1098 O LYS A 72 -9.191 1.812 5.416 1.00 0.00 O ATOM 1099 CB LYS A 72 -8.530 0.900 8.081 1.00 0.00 C ATOM 1100 CG LYS A 72 -9.360 1.796 8.984 1.00 0.00 C ATOM 1101 CD LYS A 72 -10.221 0.975 9.928 1.00 0.00 C ATOM 1102 CE LYS A 72 -11.040 1.861 10.847 1.00 0.00 C ATOM 1103 NZ LYS A 72 -11.859 1.061 11.794 1.00 0.00 N ATOM 0 H LYS A 72 -7.865 -0.585 5.789 1.00 0.00 H new ATOM 0 HA LYS A 72 -10.190 -0.378 7.606 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.953 0.212 8.699 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -7.814 1.514 7.535 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.702 2.446 9.560 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -9.995 2.442 8.377 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -10.887 0.334 9.350 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -9.586 0.319 10.524 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -10.375 2.519 11.407 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -11.692 2.499 10.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -12.405 1.700 12.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -12.511 0.452 11.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -11.235 0.470 12.380 1.00 0.00 H new ATOM 1117 N LEU A 73 -11.204 0.879 5.716 1.00 0.00 N ATOM 1118 CA LEU A 73 -11.829 1.687 4.687 1.00 0.00 C ATOM 1119 C LEU A 73 -12.416 2.960 5.282 1.00 0.00 C ATOM 1120 O LEU A 73 -13.499 2.945 5.869 1.00 0.00 O ATOM 1121 CB LEU A 73 -12.917 0.898 3.953 1.00 0.00 C ATOM 1122 CG LEU A 73 -12.417 -0.292 3.129 1.00 0.00 C ATOM 1123 CD1 LEU A 73 -13.583 -0.986 2.448 1.00 0.00 C ATOM 1124 CD2 LEU A 73 -11.398 0.158 2.095 1.00 0.00 C ATOM 0 H LEU A 73 -11.831 0.224 6.184 1.00 0.00 H new ATOM 0 HA LEU A 73 -11.058 1.961 3.967 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -13.637 0.535 4.686 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -13.452 1.578 3.291 1.00 0.00 H new ATOM 0 HG LEU A 73 -11.932 -0.997 3.805 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -13.214 -1.830 1.865 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -14.284 -1.344 3.202 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -14.089 -0.283 1.787 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -11.057 -0.704 1.521 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -11.858 0.882 1.423 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -10.548 0.619 2.598 1.00 0.00 H new ATOM 1136 N THR A 74 -11.687 4.054 5.145 1.00 0.00 N ATOM 1137 CA THR A 74 -12.161 5.341 5.617 1.00 0.00 C ATOM 1138 C THR A 74 -12.673 6.155 4.439 1.00 0.00 C ATOM 1139 O THR A 74 -11.892 6.609 3.608 1.00 0.00 O ATOM 1140 CB THR A 74 -11.036 6.125 6.324 1.00 0.00 C ATOM 1141 OG1 THR A 74 -9.927 6.298 5.438 1.00 0.00 O ATOM 1142 CG2 THR A 74 -10.561 5.398 7.566 1.00 0.00 C ATOM 0 H THR A 74 -10.764 4.076 4.710 1.00 0.00 H new ATOM 0 HA THR A 74 -12.964 5.167 6.333 1.00 0.00 H new ATOM 0 HB THR A 74 -11.439 7.096 6.613 1.00 0.00 H new ATOM 0 HG1 THR A 74 -10.254 6.552 4.550 1.00 0.00 H new ATOM 0 HG21 THR A 74 -9.768 5.974 8.044 1.00 0.00 H new ATOM 0 HG22 THR A 74 -11.393 5.281 8.260 1.00 0.00 H new ATOM 0 HG23 THR A 74 -10.179 4.415 7.289 1.00 0.00 H new ATOM 1150 N TYR A 75 -13.978 6.337 4.354 1.00 0.00 N ATOM 1151 CA TYR A 75 -14.547 7.035 3.216 1.00 0.00 C ATOM 1152 C TYR A 75 -15.305 8.286 3.629 1.00 0.00 C ATOM 1153 O TYR A 75 -16.252 8.236 4.414 1.00 0.00 O ATOM 1154 CB TYR A 75 -15.443 6.108 2.383 1.00 0.00 C ATOM 1155 CG TYR A 75 -16.111 4.992 3.158 1.00 0.00 C ATOM 1156 CD1 TYR A 75 -17.106 5.250 4.091 1.00 0.00 C ATOM 1157 CD2 TYR A 75 -15.749 3.669 2.939 1.00 0.00 C ATOM 1158 CE1 TYR A 75 -17.719 4.226 4.784 1.00 0.00 C ATOM 1159 CE2 TYR A 75 -16.358 2.639 3.624 1.00 0.00 C ATOM 1160 CZ TYR A 75 -17.343 2.921 4.547 1.00 0.00 C ATOM 1161 OH TYR A 75 -17.961 1.900 5.230 1.00 0.00 O ATOM 0 H TYR A 75 -14.655 6.017 5.047 1.00 0.00 H new ATOM 0 HA TYR A 75 -13.710 7.352 2.594 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -16.216 6.710 1.904 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -14.843 5.668 1.587 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -17.406 6.271 4.278 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -14.976 3.443 2.219 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -18.489 4.446 5.508 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -16.065 1.616 3.439 1.00 0.00 H new ATOM 0 HH TYR A 75 -17.582 1.041 4.948 1.00 0.00 H new ATOM 1171 N THR A 76 -14.852 9.406 3.103 1.00 0.00 N ATOM 1172 CA THR A 76 -15.545 10.670 3.246 1.00 0.00 C ATOM 1173 C THR A 76 -16.316 10.926 1.953 1.00 0.00 C ATOM 1174 O THR A 76 -16.009 10.311 0.933 1.00 0.00 O ATOM 1175 CB THR A 76 -14.540 11.813 3.513 1.00 0.00 C ATOM 1176 OG1 THR A 76 -13.618 11.412 4.538 1.00 0.00 O ATOM 1177 CG2 THR A 76 -15.249 13.089 3.950 1.00 0.00 C ATOM 0 H THR A 76 -13.989 9.465 2.562 1.00 0.00 H new ATOM 0 HA THR A 76 -16.229 10.632 4.094 1.00 0.00 H new ATOM 0 HB THR A 76 -14.008 12.017 2.584 1.00 0.00 H new ATOM 0 HG1 THR A 76 -12.980 12.137 4.706 1.00 0.00 H new ATOM 0 HG21 THR A 76 -14.512 13.872 4.129 1.00 0.00 H new ATOM 0 HG22 THR A 76 -15.936 13.410 3.167 1.00 0.00 H new ATOM 0 HG23 THR A 76 -15.807 12.899 4.867 1.00 0.00 H new ATOM 1185 N ASP A 77 -17.299 11.814 1.978 1.00 0.00 N ATOM 1186 CA ASP A 77 -18.143 12.049 0.807 1.00 0.00 C ATOM 1187 C ASP A 77 -17.416 12.909 -0.221 1.00 0.00 C ATOM 1188 O ASP A 77 -17.873 13.992 -0.588 1.00 0.00 O ATOM 1189 CB ASP A 77 -19.463 12.711 1.207 1.00 0.00 C ATOM 1190 CG ASP A 77 -20.184 11.958 2.305 1.00 0.00 C ATOM 1191 OD1 ASP A 77 -20.432 10.744 2.148 1.00 0.00 O ATOM 1192 OD2 ASP A 77 -20.481 12.575 3.349 1.00 0.00 O ATOM 0 H ASP A 77 -17.534 12.383 2.791 1.00 0.00 H new ATOM 0 HA ASP A 77 -18.364 11.081 0.358 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -19.268 13.731 1.539 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -20.110 12.779 0.333 1.00 0.00 H new ATOM 1197 N THR A 78 -16.270 12.416 -0.662 1.00 0.00 N ATOM 1198 CA THR A 78 -15.461 13.078 -1.676 1.00 0.00 C ATOM 1199 C THR A 78 -14.312 12.165 -2.121 1.00 0.00 C ATOM 1200 O THR A 78 -13.944 12.133 -3.300 1.00 0.00 O ATOM 1201 CB THR A 78 -14.916 14.441 -1.172 1.00 0.00 C ATOM 1202 OG1 THR A 78 -14.057 15.031 -2.153 1.00 0.00 O ATOM 1203 CG2 THR A 78 -14.163 14.292 0.144 1.00 0.00 C ATOM 0 H THR A 78 -15.871 11.540 -0.325 1.00 0.00 H new ATOM 0 HA THR A 78 -16.101 13.280 -2.535 1.00 0.00 H new ATOM 0 HB THR A 78 -15.774 15.092 -1.003 1.00 0.00 H new ATOM 0 HG1 THR A 78 -13.723 15.890 -1.821 1.00 0.00 H new ATOM 0 HG21 THR A 78 -13.796 15.267 0.466 1.00 0.00 H new ATOM 0 HG22 THR A 78 -14.833 13.888 0.903 1.00 0.00 H new ATOM 0 HG23 THR A 78 -13.320 13.615 0.006 1.00 0.00 H new ATOM 1211 N TYR A 79 -13.768 11.395 -1.180 1.00 0.00 N ATOM 1212 CA TYR A 79 -12.720 10.432 -1.491 1.00 0.00 C ATOM 1213 C TYR A 79 -12.743 9.284 -0.490 1.00 0.00 C ATOM 1214 O TYR A 79 -13.183 9.451 0.651 1.00 0.00 O ATOM 1215 CB TYR A 79 -11.333 11.099 -1.503 1.00 0.00 C ATOM 1216 CG TYR A 79 -10.854 11.606 -0.153 1.00 0.00 C ATOM 1217 CD1 TYR A 79 -10.200 10.760 0.738 1.00 0.00 C ATOM 1218 CD2 TYR A 79 -11.043 12.930 0.224 1.00 0.00 C ATOM 1219 CE1 TYR A 79 -9.753 11.219 1.962 1.00 0.00 C ATOM 1220 CE2 TYR A 79 -10.599 13.395 1.449 1.00 0.00 C ATOM 1221 CZ TYR A 79 -9.955 12.535 2.313 1.00 0.00 C ATOM 1222 OH TYR A 79 -9.502 12.993 3.530 1.00 0.00 O ATOM 0 H TYR A 79 -14.038 11.421 -0.197 1.00 0.00 H new ATOM 0 HA TYR A 79 -12.913 10.038 -2.489 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -10.605 10.383 -1.885 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -11.354 11.935 -2.202 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -10.039 9.727 0.468 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -11.545 13.608 -0.451 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -9.247 10.548 2.641 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -10.756 14.427 1.727 1.00 0.00 H new ATOM 0 HH TYR A 79 -9.722 13.943 3.625 1.00 0.00 H new ATOM 1232 N ALA A 80 -12.274 8.124 -0.920 1.00 0.00 N ATOM 1233 CA ALA A 80 -12.192 6.965 -0.049 1.00 0.00 C ATOM 1234 C ALA A 80 -10.744 6.536 0.118 1.00 0.00 C ATOM 1235 O ALA A 80 -10.020 6.354 -0.863 1.00 0.00 O ATOM 1236 CB ALA A 80 -13.033 5.817 -0.590 1.00 0.00 C ATOM 0 H ALA A 80 -11.943 7.961 -1.871 1.00 0.00 H new ATOM 0 HA ALA A 80 -12.590 7.240 0.928 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -12.955 4.961 0.080 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -14.075 6.130 -0.659 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -12.673 5.537 -1.580 1.00 0.00 H new ATOM 1242 N GLN A 81 -10.318 6.397 1.359 1.00 0.00 N ATOM 1243 CA GLN A 81 -8.961 5.987 1.657 1.00 0.00 C ATOM 1244 C GLN A 81 -8.926 4.502 1.965 1.00 0.00 C ATOM 1245 O GLN A 81 -9.426 4.053 3.000 1.00 0.00 O ATOM 1246 CB GLN A 81 -8.403 6.785 2.838 1.00 0.00 C ATOM 1247 CG GLN A 81 -6.896 6.656 3.014 1.00 0.00 C ATOM 1248 CD GLN A 81 -6.313 7.799 3.822 1.00 0.00 C ATOM 1249 OE1 GLN A 81 -6.817 8.922 3.775 1.00 0.00 O ATOM 1250 NE2 GLN A 81 -5.249 7.535 4.563 1.00 0.00 N ATOM 0 H GLN A 81 -10.898 6.564 2.182 1.00 0.00 H new ATOM 0 HA GLN A 81 -8.338 6.185 0.785 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -8.654 7.837 2.704 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -8.895 6.454 3.752 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -6.669 5.711 3.508 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -6.419 6.626 2.034 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -4.859 6.593 4.577 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -4.819 8.274 5.120 1.00 0.00 H new ATOM 1259 N GLU A 82 -8.363 3.750 1.045 1.00 0.00 N ATOM 1260 CA GLU A 82 -8.184 2.324 1.210 1.00 0.00 C ATOM 1261 C GLU A 82 -6.905 2.074 2.006 1.00 0.00 C ATOM 1262 O GLU A 82 -5.825 1.911 1.435 1.00 0.00 O ATOM 1263 CB GLU A 82 -8.138 1.666 -0.172 1.00 0.00 C ATOM 1264 CG GLU A 82 -7.842 0.176 -0.187 1.00 0.00 C ATOM 1265 CD GLU A 82 -7.414 -0.300 -1.565 1.00 0.00 C ATOM 1266 OE1 GLU A 82 -8.290 -0.528 -2.431 1.00 0.00 O ATOM 1267 OE2 GLU A 82 -6.190 -0.417 -1.804 1.00 0.00 O ATOM 0 H GLU A 82 -8.015 4.112 0.157 1.00 0.00 H new ATOM 0 HA GLU A 82 -9.015 1.886 1.763 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -9.096 1.832 -0.664 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -7.381 2.173 -0.770 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -7.056 -0.046 0.535 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -8.729 -0.374 0.128 1.00 0.00 H new ATOM 1274 N ASN A 83 -7.025 2.122 3.325 1.00 0.00 N ATOM 1275 CA ASN A 83 -5.881 1.943 4.214 1.00 0.00 C ATOM 1276 C ASN A 83 -5.580 0.465 4.383 1.00 0.00 C ATOM 1277 O ASN A 83 -6.271 -0.238 5.113 1.00 0.00 O ATOM 1278 CB ASN A 83 -6.159 2.594 5.580 1.00 0.00 C ATOM 1279 CG ASN A 83 -5.073 2.329 6.615 1.00 0.00 C ATOM 1280 OD1 ASN A 83 -5.117 1.339 7.345 1.00 0.00 O ATOM 1281 ND2 ASN A 83 -4.105 3.225 6.710 1.00 0.00 N ATOM 0 H ASN A 83 -7.909 2.284 3.808 1.00 0.00 H new ATOM 0 HA ASN A 83 -5.012 2.429 3.771 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -6.266 3.670 5.445 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -7.111 2.225 5.962 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -3.366 3.106 7.403 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -4.097 4.035 6.090 1.00 0.00 H new ATOM 1288 N VAL A 84 -4.571 -0.015 3.685 1.00 0.00 N ATOM 1289 CA VAL A 84 -4.203 -1.421 3.774 1.00 0.00 C ATOM 1290 C VAL A 84 -2.901 -1.566 4.551 1.00 0.00 C ATOM 1291 O VAL A 84 -2.062 -0.677 4.522 1.00 0.00 O ATOM 1292 CB VAL A 84 -4.047 -2.056 2.370 1.00 0.00 C ATOM 1293 CG1 VAL A 84 -3.841 -3.560 2.467 1.00 0.00 C ATOM 1294 CG2 VAL A 84 -5.251 -1.737 1.492 1.00 0.00 C ATOM 0 H VAL A 84 -3.993 0.539 3.053 1.00 0.00 H new ATOM 0 HA VAL A 84 -5.004 -1.946 4.295 1.00 0.00 H new ATOM 0 HB VAL A 84 -3.160 -1.622 1.907 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -3.735 -3.978 1.466 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -2.940 -3.767 3.044 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -4.701 -4.014 2.960 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -5.118 -2.194 0.511 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -6.155 -2.132 1.956 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -5.343 -0.657 1.379 1.00 0.00 H new ATOM 1304 N THR A 85 -2.750 -2.657 5.282 1.00 0.00 N ATOM 1305 CA THR A 85 -1.498 -2.952 5.960 1.00 0.00 C ATOM 1306 C THR A 85 -1.231 -4.450 5.919 1.00 0.00 C ATOM 1307 O THR A 85 -1.892 -5.229 6.602 1.00 0.00 O ATOM 1308 CB THR A 85 -1.505 -2.474 7.425 1.00 0.00 C ATOM 1309 OG1 THR A 85 -1.923 -1.105 7.499 1.00 0.00 O ATOM 1310 CG2 THR A 85 -0.122 -2.616 8.046 1.00 0.00 C ATOM 0 H THR A 85 -3.480 -3.355 5.422 1.00 0.00 H new ATOM 0 HA THR A 85 -0.708 -2.413 5.437 1.00 0.00 H new ATOM 0 HB THR A 85 -2.207 -3.097 7.980 1.00 0.00 H new ATOM 0 HG1 THR A 85 -1.925 -0.814 8.435 1.00 0.00 H new ATOM 0 HG21 THR A 85 -0.151 -2.273 9.080 1.00 0.00 H new ATOM 0 HG22 THR A 85 0.183 -3.662 8.019 1.00 0.00 H new ATOM 0 HG23 THR A 85 0.593 -2.015 7.484 1.00 0.00 H new ATOM 1318 N ILE A 86 -0.281 -4.843 5.093 1.00 0.00 N ATOM 1319 CA ILE A 86 0.041 -6.245 4.904 1.00 0.00 C ATOM 1320 C ILE A 86 1.247 -6.648 5.748 1.00 0.00 C ATOM 1321 O ILE A 86 2.369 -6.219 5.483 1.00 0.00 O ATOM 1322 CB ILE A 86 0.330 -6.542 3.416 1.00 0.00 C ATOM 1323 CG1 ILE A 86 -0.908 -6.235 2.566 1.00 0.00 C ATOM 1324 CG2 ILE A 86 0.765 -7.987 3.227 1.00 0.00 C ATOM 1325 CD1 ILE A 86 -0.697 -6.441 1.080 1.00 0.00 C ATOM 0 H ILE A 86 0.287 -4.204 4.537 1.00 0.00 H new ATOM 0 HA ILE A 86 -0.823 -6.828 5.224 1.00 0.00 H new ATOM 0 HB ILE A 86 1.147 -5.899 3.088 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -1.731 -6.868 2.898 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -1.210 -5.202 2.741 1.00 0.00 H new ATOM 0 HG21 ILE A 86 0.963 -8.172 2.171 1.00 0.00 H new ATOM 0 HG22 ILE A 86 1.671 -8.173 3.804 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -0.027 -8.653 3.570 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -1.617 -6.204 0.546 1.00 0.00 H new ATOM 0 HD12 ILE A 86 0.103 -5.788 0.732 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.426 -7.480 0.892 1.00 0.00 H new ATOM 1337 N ASP A 87 1.003 -7.434 6.790 1.00 0.00 N ATOM 1338 CA ASP A 87 2.087 -8.012 7.578 1.00 0.00 C ATOM 1339 C ASP A 87 2.741 -9.144 6.802 1.00 0.00 C ATOM 1340 O ASP A 87 2.081 -10.116 6.433 1.00 0.00 O ATOM 1341 CB ASP A 87 1.570 -8.536 8.919 1.00 0.00 C ATOM 1342 CG ASP A 87 2.642 -9.272 9.702 1.00 0.00 C ATOM 1343 OD1 ASP A 87 2.800 -10.494 9.495 1.00 0.00 O ATOM 1344 OD2 ASP A 87 3.327 -8.629 10.526 1.00 0.00 O ATOM 0 H ASP A 87 0.067 -7.686 7.109 1.00 0.00 H new ATOM 0 HA ASP A 87 2.822 -7.231 7.774 1.00 0.00 H new ATOM 0 HB2 ASP A 87 1.197 -7.702 9.513 1.00 0.00 H new ATOM 0 HB3 ASP A 87 0.727 -9.205 8.745 1.00 0.00 H new ATOM 1349 N MET A 88 4.038 -9.023 6.570 1.00 0.00 N ATOM 1350 CA MET A 88 4.752 -9.963 5.717 1.00 0.00 C ATOM 1351 C MET A 88 5.341 -11.122 6.511 1.00 0.00 C ATOM 1352 O MET A 88 6.276 -11.780 6.056 1.00 0.00 O ATOM 1353 CB MET A 88 5.864 -9.249 4.950 1.00 0.00 C ATOM 1354 CG MET A 88 5.361 -8.165 4.018 1.00 0.00 C ATOM 1355 SD MET A 88 6.640 -7.564 2.904 1.00 0.00 S ATOM 1356 CE MET A 88 5.709 -6.370 1.953 1.00 0.00 C ATOM 0 H MET A 88 4.620 -8.282 6.961 1.00 0.00 H new ATOM 0 HA MET A 88 4.027 -10.372 5.014 1.00 0.00 H new ATOM 0 HB2 MET A 88 6.560 -8.808 5.663 1.00 0.00 H new ATOM 0 HB3 MET A 88 6.423 -9.984 4.371 1.00 0.00 H new ATOM 0 HG2 MET A 88 4.527 -8.552 3.433 1.00 0.00 H new ATOM 0 HG3 MET A 88 4.977 -7.333 4.608 1.00 0.00 H new ATOM 0 HE1 MET A 88 5.561 -6.747 0.941 1.00 0.00 H new ATOM 0 HE2 MET A 88 4.740 -6.205 2.424 1.00 0.00 H new ATOM 0 HE3 MET A 88 6.258 -5.429 1.913 1.00 0.00 H new ATOM 1366 N GLU A 89 4.787 -11.394 7.679 1.00 0.00 N ATOM 1367 CA GLU A 89 5.268 -12.502 8.487 1.00 0.00 C ATOM 1368 C GLU A 89 4.193 -13.570 8.619 1.00 0.00 C ATOM 1369 O GLU A 89 4.485 -14.721 8.936 1.00 0.00 O ATOM 1370 CB GLU A 89 5.715 -12.025 9.872 1.00 0.00 C ATOM 1371 CG GLU A 89 6.874 -11.042 9.835 1.00 0.00 C ATOM 1372 CD GLU A 89 7.465 -10.789 11.205 1.00 0.00 C ATOM 1373 OE1 GLU A 89 6.833 -10.070 12.006 1.00 0.00 O ATOM 1374 OE2 GLU A 89 8.565 -11.312 11.488 1.00 0.00 O ATOM 0 H GLU A 89 4.012 -10.870 8.086 1.00 0.00 H new ATOM 0 HA GLU A 89 6.133 -12.933 7.983 1.00 0.00 H new ATOM 0 HB2 GLU A 89 4.869 -11.557 10.376 1.00 0.00 H new ATOM 0 HB3 GLU A 89 6.003 -12.890 10.469 1.00 0.00 H new ATOM 0 HG2 GLU A 89 7.651 -11.426 9.173 1.00 0.00 H new ATOM 0 HG3 GLU A 89 6.532 -10.098 9.411 1.00 0.00 H new ATOM 1381 N LYS A 90 2.949 -13.185 8.376 1.00 0.00 N ATOM 1382 CA LYS A 90 1.839 -14.123 8.475 1.00 0.00 C ATOM 1383 C LYS A 90 1.193 -14.367 7.110 1.00 0.00 C ATOM 1384 O LYS A 90 0.396 -15.293 6.956 1.00 0.00 O ATOM 1385 CB LYS A 90 0.794 -13.595 9.465 1.00 0.00 C ATOM 1386 CG LYS A 90 -0.180 -14.657 9.948 1.00 0.00 C ATOM 1387 CD LYS A 90 -1.232 -14.077 10.882 1.00 0.00 C ATOM 1388 CE LYS A 90 -2.024 -15.176 11.577 1.00 0.00 C ATOM 1389 NZ LYS A 90 -2.774 -16.026 10.613 1.00 0.00 N ATOM 0 H LYS A 90 2.683 -12.237 8.111 1.00 0.00 H new ATOM 0 HA LYS A 90 2.231 -15.074 8.836 1.00 0.00 H new ATOM 0 HB2 LYS A 90 1.306 -13.166 10.326 1.00 0.00 H new ATOM 0 HB3 LYS A 90 0.234 -12.788 8.993 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -0.670 -15.118 9.090 1.00 0.00 H new ATOM 0 HG3 LYS A 90 0.368 -15.446 10.463 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -0.750 -13.446 11.629 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -1.911 -13.439 10.316 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -1.344 -15.800 12.156 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -2.723 -14.727 12.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -3.325 -16.738 11.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -3.418 -15.431 10.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -2.104 -16.503 9.977 1.00 0.00 H new ATOM 1403 N VAL A 91 1.541 -13.541 6.123 1.00 0.00 N ATOM 1404 CA VAL A 91 0.905 -13.611 4.803 1.00 0.00 C ATOM 1405 C VAL A 91 1.124 -14.939 4.113 1.00 0.00 C ATOM 1406 O VAL A 91 2.227 -15.493 4.121 1.00 0.00 O ATOM 1407 CB VAL A 91 1.386 -12.511 3.834 1.00 0.00 C ATOM 1408 CG1 VAL A 91 0.524 -11.268 3.950 1.00 0.00 C ATOM 1409 CG2 VAL A 91 2.849 -12.184 4.072 1.00 0.00 C ATOM 0 H VAL A 91 2.256 -12.818 6.209 1.00 0.00 H new ATOM 0 HA VAL A 91 -0.154 -13.471 5.022 1.00 0.00 H new ATOM 0 HB VAL A 91 1.287 -12.891 2.817 1.00 0.00 H new ATOM 0 HG11 VAL A 91 0.885 -10.509 3.256 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -0.509 -11.518 3.709 1.00 0.00 H new ATOM 0 HG13 VAL A 91 0.576 -10.883 4.968 1.00 0.00 H new ATOM 0 HG21 VAL A 91 3.166 -11.406 3.377 1.00 0.00 H new ATOM 0 HG22 VAL A 91 2.981 -11.833 5.095 1.00 0.00 H new ATOM 0 HG23 VAL A 91 3.452 -13.078 3.915 1.00 0.00 H new ATOM 1419 N ASP A 92 0.063 -15.436 3.503 1.00 0.00 N ATOM 1420 CA ASP A 92 0.176 -16.573 2.609 1.00 0.00 C ATOM 1421 C ASP A 92 0.121 -16.077 1.171 1.00 0.00 C ATOM 1422 O ASP A 92 -0.931 -15.697 0.656 1.00 0.00 O ATOM 1423 CB ASP A 92 -0.895 -17.643 2.890 1.00 0.00 C ATOM 1424 CG ASP A 92 -2.317 -17.117 2.871 1.00 0.00 C ATOM 1425 OD1 ASP A 92 -2.717 -16.450 3.849 1.00 0.00 O ATOM 1426 OD2 ASP A 92 -3.050 -17.405 1.902 1.00 0.00 O ATOM 0 H ASP A 92 -0.884 -15.071 3.610 1.00 0.00 H new ATOM 0 HA ASP A 92 1.134 -17.064 2.782 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -0.803 -18.437 2.149 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -0.698 -18.092 3.864 1.00 0.00 H new ATOM 1431 N PHE A 93 1.288 -16.052 0.535 1.00 0.00 N ATOM 1432 CA PHE A 93 1.439 -15.471 -0.798 1.00 0.00 C ATOM 1433 C PHE A 93 0.618 -16.220 -1.849 1.00 0.00 C ATOM 1434 O PHE A 93 0.415 -15.720 -2.953 1.00 0.00 O ATOM 1435 CB PHE A 93 2.912 -15.444 -1.216 1.00 0.00 C ATOM 1436 CG PHE A 93 3.758 -14.434 -0.484 1.00 0.00 C ATOM 1437 CD1 PHE A 93 3.937 -14.504 0.889 1.00 0.00 C ATOM 1438 CD2 PHE A 93 4.386 -13.415 -1.184 1.00 0.00 C ATOM 1439 CE1 PHE A 93 4.724 -13.577 1.547 1.00 0.00 C ATOM 1440 CE2 PHE A 93 5.172 -12.485 -0.530 1.00 0.00 C ATOM 1441 CZ PHE A 93 5.341 -12.565 0.837 1.00 0.00 C ATOM 0 H PHE A 93 2.151 -16.431 0.924 1.00 0.00 H new ATOM 0 HA PHE A 93 1.061 -14.450 -0.741 1.00 0.00 H new ATOM 0 HB2 PHE A 93 3.338 -16.435 -1.060 1.00 0.00 H new ATOM 0 HB3 PHE A 93 2.968 -15.238 -2.285 1.00 0.00 H new ATOM 0 HD1 PHE A 93 3.456 -15.291 1.451 1.00 0.00 H new ATOM 0 HD2 PHE A 93 4.259 -13.347 -2.254 1.00 0.00 H new ATOM 0 HE1 PHE A 93 4.857 -13.644 2.617 1.00 0.00 H new ATOM 0 HE2 PHE A 93 5.654 -11.696 -1.089 1.00 0.00 H new ATOM 0 HZ PHE A 93 5.954 -11.839 1.350 1.00 0.00 H new ATOM 1451 N LYS A 94 0.140 -17.407 -1.498 1.00 0.00 N ATOM 1452 CA LYS A 94 -0.678 -18.197 -2.409 1.00 0.00 C ATOM 1453 C LYS A 94 -1.993 -17.478 -2.714 1.00 0.00 C ATOM 1454 O LYS A 94 -2.474 -17.496 -3.849 1.00 0.00 O ATOM 1455 CB LYS A 94 -0.938 -19.590 -1.826 1.00 0.00 C ATOM 1456 CG LYS A 94 -1.650 -19.579 -0.483 1.00 0.00 C ATOM 1457 CD LYS A 94 -1.741 -20.977 0.101 1.00 0.00 C ATOM 1458 CE LYS A 94 -2.551 -20.991 1.385 1.00 0.00 C ATOM 1459 NZ LYS A 94 -2.516 -22.321 2.041 1.00 0.00 N ATOM 0 H LYS A 94 0.304 -17.843 -0.591 1.00 0.00 H new ATOM 0 HA LYS A 94 -0.134 -18.317 -3.346 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -1.534 -20.164 -2.536 1.00 0.00 H new ATOM 0 HB3 LYS A 94 0.014 -20.109 -1.716 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -1.117 -18.927 0.209 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -2.652 -19.166 -0.603 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -2.198 -21.647 -0.627 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -0.738 -21.356 0.298 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -2.161 -20.237 2.069 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -3.584 -20.720 1.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -3.080 -22.292 2.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -2.911 -23.036 1.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -1.533 -22.568 2.272 1.00 0.00 H new ATOM 1473 N ALA A 95 -2.562 -16.829 -1.703 1.00 0.00 N ATOM 1474 CA ALA A 95 -3.757 -16.023 -1.896 1.00 0.00 C ATOM 1475 C ALA A 95 -3.366 -14.603 -2.274 1.00 0.00 C ATOM 1476 O ALA A 95 -4.093 -13.912 -2.989 1.00 0.00 O ATOM 1477 CB ALA A 95 -4.617 -16.027 -0.642 1.00 0.00 C ATOM 0 H ALA A 95 -2.214 -16.847 -0.744 1.00 0.00 H new ATOM 0 HA ALA A 95 -4.344 -16.454 -2.707 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -5.506 -15.418 -0.808 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -4.916 -17.049 -0.409 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -4.047 -15.617 0.192 1.00 0.00 H new ATOM 1483 N LEU A 96 -2.191 -14.188 -1.804 1.00 0.00 N ATOM 1484 CA LEU A 96 -1.656 -12.862 -2.096 1.00 0.00 C ATOM 1485 C LEU A 96 -1.505 -12.663 -3.603 1.00 0.00 C ATOM 1486 O LEU A 96 -1.612 -11.548 -4.102 1.00 0.00 O ATOM 1487 CB LEU A 96 -0.291 -12.684 -1.425 1.00 0.00 C ATOM 1488 CG LEU A 96 0.208 -11.244 -1.330 1.00 0.00 C ATOM 1489 CD1 LEU A 96 -0.433 -10.541 -0.152 1.00 0.00 C ATOM 1490 CD2 LEU A 96 1.723 -11.204 -1.218 1.00 0.00 C ATOM 0 H LEU A 96 -1.587 -14.759 -1.213 1.00 0.00 H new ATOM 0 HA LEU A 96 -2.354 -12.121 -1.706 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -0.342 -13.100 -0.419 1.00 0.00 H new ATOM 0 HB3 LEU A 96 0.445 -13.270 -1.975 1.00 0.00 H new ATOM 0 HG LEU A 96 -0.077 -10.721 -2.243 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -0.067 -9.516 -0.097 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -1.516 -10.534 -0.278 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -0.178 -11.067 0.768 1.00 0.00 H new ATOM 0 HD21 LEU A 96 2.056 -10.168 -1.152 1.00 0.00 H new ATOM 0 HD22 LEU A 96 2.036 -11.744 -0.324 1.00 0.00 H new ATOM 0 HD23 LEU A 96 2.165 -11.671 -2.098 1.00 0.00 H new ATOM 1502 N GLN A 97 -1.258 -13.761 -4.312 1.00 0.00 N ATOM 1503 CA GLN A 97 -1.086 -13.746 -5.765 1.00 0.00 C ATOM 1504 C GLN A 97 -2.290 -13.114 -6.467 1.00 0.00 C ATOM 1505 O GLN A 97 -2.140 -12.382 -7.445 1.00 0.00 O ATOM 1506 CB GLN A 97 -0.873 -15.179 -6.263 1.00 0.00 C ATOM 1507 CG GLN A 97 -0.656 -15.297 -7.764 1.00 0.00 C ATOM 1508 CD GLN A 97 -0.460 -16.735 -8.214 1.00 0.00 C ATOM 1509 OE1 GLN A 97 0.237 -17.002 -9.192 1.00 0.00 O ATOM 1510 NE2 GLN A 97 -1.074 -17.671 -7.505 1.00 0.00 N ATOM 0 H GLN A 97 -1.171 -14.688 -3.896 1.00 0.00 H new ATOM 0 HA GLN A 97 -0.213 -13.138 -6.004 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -0.011 -15.605 -5.749 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -1.739 -15.780 -5.985 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -1.512 -14.870 -8.286 1.00 0.00 H new ATOM 0 HG3 GLN A 97 0.216 -14.709 -8.049 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -1.644 -17.410 -6.700 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -0.977 -18.653 -7.764 1.00 0.00 H new ATOM 1519 N GLY A 98 -3.483 -13.386 -5.952 1.00 0.00 N ATOM 1520 CA GLY A 98 -4.689 -12.860 -6.562 1.00 0.00 C ATOM 1521 C GLY A 98 -5.002 -11.445 -6.115 1.00 0.00 C ATOM 1522 O GLY A 98 -5.756 -10.729 -6.775 1.00 0.00 O ATOM 0 H GLY A 98 -3.637 -13.961 -5.124 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -4.580 -12.878 -7.646 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -5.529 -13.509 -6.315 1.00 0.00 H new ATOM 1526 N ILE A 99 -4.408 -11.037 -5.003 1.00 0.00 N ATOM 1527 CA ILE A 99 -4.686 -9.730 -4.415 1.00 0.00 C ATOM 1528 C ILE A 99 -3.399 -8.941 -4.196 1.00 0.00 C ATOM 1529 O ILE A 99 -3.250 -8.235 -3.199 1.00 0.00 O ATOM 1530 CB ILE A 99 -5.437 -9.869 -3.073 1.00 0.00 C ATOM 1531 CG1 ILE A 99 -4.690 -10.828 -2.138 1.00 0.00 C ATOM 1532 CG2 ILE A 99 -6.866 -10.342 -3.310 1.00 0.00 C ATOM 1533 CD1 ILE A 99 -5.341 -10.992 -0.783 1.00 0.00 C ATOM 0 H ILE A 99 -3.727 -11.593 -4.486 1.00 0.00 H new ATOM 0 HA ILE A 99 -5.319 -9.190 -5.119 1.00 0.00 H new ATOM 0 HB ILE A 99 -5.478 -8.891 -2.593 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -4.618 -11.805 -2.617 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -3.671 -10.465 -2.000 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -7.382 -10.435 -2.354 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -7.389 -9.619 -3.936 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -6.850 -11.311 -3.810 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -4.755 -11.685 -0.179 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -5.388 -10.025 -0.283 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -6.350 -11.385 -0.909 1.00 0.00 H new ATOM 1648 N ASP A 108 7.931 -11.152 -8.382 1.00 0.00 N ATOM 1649 CA ASP A 108 8.805 -10.759 -7.284 1.00 0.00 C ATOM 1650 C ASP A 108 8.309 -11.407 -5.995 1.00 0.00 C ATOM 1651 O ASP A 108 9.092 -11.810 -5.135 1.00 0.00 O ATOM 1652 CB ASP A 108 8.837 -9.235 -7.136 1.00 0.00 C ATOM 1653 CG ASP A 108 9.875 -8.772 -6.130 1.00 0.00 C ATOM 1654 OD1 ASP A 108 11.045 -8.599 -6.530 1.00 0.00 O ATOM 1655 OD2 ASP A 108 9.522 -8.576 -4.949 1.00 0.00 O ATOM 0 HA ASP A 108 9.820 -11.097 -7.495 1.00 0.00 H new ATOM 0 HB2 ASP A 108 9.048 -8.783 -8.105 1.00 0.00 H new ATOM 0 HB3 ASP A 108 7.853 -8.882 -6.827 1.00 0.00 H new ATOM 1660 N ALA A 109 6.987 -11.548 -5.904 1.00 0.00 N ATOM 1661 CA ALA A 109 6.352 -12.181 -4.755 1.00 0.00 C ATOM 1662 C ALA A 109 6.664 -13.672 -4.717 1.00 0.00 C ATOM 1663 O ALA A 109 6.598 -14.303 -3.664 1.00 0.00 O ATOM 1664 CB ALA A 109 4.847 -11.953 -4.793 1.00 0.00 C ATOM 0 H ALA A 109 6.333 -11.229 -6.619 1.00 0.00 H new ATOM 0 HA ALA A 109 6.752 -11.727 -3.848 1.00 0.00 H new ATOM 0 HB1 ALA A 109 4.385 -12.431 -3.929 1.00 0.00 H new ATOM 0 HB2 ALA A 109 4.640 -10.883 -4.770 1.00 0.00 H new ATOM 0 HB3 ALA A 109 4.437 -12.382 -5.707 1.00 0.00 H new ATOM 1670 N LYS A 110 7.007 -14.224 -5.877 1.00 0.00 N ATOM 1671 CA LYS A 110 7.414 -15.620 -5.968 1.00 0.00 C ATOM 1672 C LYS A 110 8.742 -15.816 -5.249 1.00 0.00 C ATOM 1673 O LYS A 110 8.974 -16.840 -4.604 1.00 0.00 O ATOM 1674 CB LYS A 110 7.562 -16.051 -7.431 1.00 0.00 C ATOM 1675 CG LYS A 110 6.291 -15.930 -8.259 1.00 0.00 C ATOM 1676 CD LYS A 110 6.520 -16.448 -9.668 1.00 0.00 C ATOM 1677 CE LYS A 110 5.256 -16.382 -10.506 1.00 0.00 C ATOM 1678 NZ LYS A 110 5.482 -16.883 -11.889 1.00 0.00 N ATOM 0 H LYS A 110 7.011 -13.725 -6.766 1.00 0.00 H new ATOM 0 HA LYS A 110 6.644 -16.232 -5.499 1.00 0.00 H new ATOM 0 HB2 LYS A 110 8.342 -15.448 -7.896 1.00 0.00 H new ATOM 0 HB3 LYS A 110 7.901 -17.087 -7.458 1.00 0.00 H new ATOM 0 HG2 LYS A 110 5.487 -16.493 -7.785 1.00 0.00 H new ATOM 0 HG3 LYS A 110 5.972 -14.888 -8.296 1.00 0.00 H new ATOM 0 HD2 LYS A 110 7.305 -15.863 -10.147 1.00 0.00 H new ATOM 0 HD3 LYS A 110 6.873 -17.478 -9.623 1.00 0.00 H new ATOM 0 HE2 LYS A 110 4.473 -16.972 -10.029 1.00 0.00 H new ATOM 0 HE3 LYS A 110 4.900 -15.353 -10.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 4.596 -16.822 -12.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 6.211 -16.305 -12.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 5.797 -17.873 -11.852 1.00 0.00 H new ATOM 1692 N LYS A 111 9.609 -14.818 -5.370 1.00 0.00 N ATOM 1693 CA LYS A 111 10.918 -14.853 -4.736 1.00 0.00 C ATOM 1694 C LYS A 111 10.794 -14.514 -3.258 1.00 0.00 C ATOM 1695 O LYS A 111 11.247 -15.264 -2.391 1.00 0.00 O ATOM 1696 CB LYS A 111 11.864 -13.857 -5.415 1.00 0.00 C ATOM 1697 CG LYS A 111 12.062 -14.105 -6.902 1.00 0.00 C ATOM 1698 CD LYS A 111 12.692 -15.462 -7.163 1.00 0.00 C ATOM 1699 CE LYS A 111 12.956 -15.680 -8.641 1.00 0.00 C ATOM 1700 NZ LYS A 111 13.565 -17.008 -8.900 1.00 0.00 N ATOM 0 H LYS A 111 9.426 -13.970 -5.906 1.00 0.00 H new ATOM 0 HA LYS A 111 11.326 -15.858 -4.840 1.00 0.00 H new ATOM 0 HB2 LYS A 111 11.475 -12.849 -5.274 1.00 0.00 H new ATOM 0 HB3 LYS A 111 12.834 -13.897 -4.919 1.00 0.00 H new ATOM 0 HG2 LYS A 111 11.101 -14.045 -7.413 1.00 0.00 H new ATOM 0 HG3 LYS A 111 12.695 -13.323 -7.321 1.00 0.00 H new ATOM 0 HD2 LYS A 111 13.628 -15.542 -6.610 1.00 0.00 H new ATOM 0 HD3 LYS A 111 12.034 -16.247 -6.791 1.00 0.00 H new ATOM 0 HE2 LYS A 111 12.021 -15.595 -9.194 1.00 0.00 H new ATOM 0 HE3 LYS A 111 13.618 -14.898 -9.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 13.731 -17.121 -9.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 14.470 -17.080 -8.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 12.922 -17.755 -8.569 1.00 0.00 H new ATOM 1714 N GLY A 112 10.166 -13.383 -2.982 1.00 0.00 N ATOM 1715 CA GLY A 112 10.015 -12.928 -1.619 1.00 0.00 C ATOM 1716 C GLY A 112 10.380 -11.468 -1.480 1.00 0.00 C ATOM 1717 O GLY A 112 11.540 -11.090 -1.674 1.00 0.00 O ATOM 0 H GLY A 112 9.755 -12.768 -3.685 1.00 0.00 H new ATOM 0 HA2 GLY A 112 8.985 -13.079 -1.296 1.00 0.00 H new ATOM 0 HA3 GLY A 112 10.646 -13.526 -0.962 1.00 0.00 H new ATOM 1721 N ILE A 113 9.394 -10.648 -1.139 1.00 0.00 N ATOM 1722 CA ILE A 113 9.596 -9.211 -1.043 1.00 0.00 C ATOM 1723 C ILE A 113 10.609 -8.879 0.043 1.00 0.00 C ATOM 1724 O ILE A 113 10.428 -9.200 1.219 1.00 0.00 O ATOM 1725 CB ILE A 113 8.271 -8.449 -0.773 1.00 0.00 C ATOM 1726 CG1 ILE A 113 7.493 -8.207 -2.074 1.00 0.00 C ATOM 1727 CG2 ILE A 113 8.544 -7.115 -0.088 1.00 0.00 C ATOM 1728 CD1 ILE A 113 7.144 -9.459 -2.846 1.00 0.00 C ATOM 0 H ILE A 113 8.446 -10.956 -0.924 1.00 0.00 H new ATOM 0 HA ILE A 113 9.980 -8.883 -2.009 1.00 0.00 H new ATOM 0 HB ILE A 113 7.666 -9.072 -0.115 1.00 0.00 H new ATOM 0 HG12 ILE A 113 6.572 -7.675 -1.836 1.00 0.00 H new ATOM 0 HG13 ILE A 113 8.082 -7.553 -2.717 1.00 0.00 H new ATOM 0 HG21 ILE A 113 7.601 -6.598 0.091 1.00 0.00 H new ATOM 0 HG22 ILE A 113 9.048 -7.290 0.862 1.00 0.00 H new ATOM 0 HG23 ILE A 113 9.178 -6.501 -0.727 1.00 0.00 H new ATOM 0 HD11 ILE A 113 6.596 -9.189 -3.749 1.00 0.00 H new ATOM 0 HD12 ILE A 113 8.059 -9.984 -3.120 1.00 0.00 H new ATOM 0 HD13 ILE A 113 6.525 -10.108 -2.226 1.00 0.00 H new ATOM 1740 N THR A 114 11.691 -8.264 -0.382 1.00 0.00 N ATOM 1741 CA THR A 114 12.721 -7.800 0.516 1.00 0.00 C ATOM 1742 C THR A 114 13.010 -6.331 0.237 1.00 0.00 C ATOM 1743 O THR A 114 12.489 -5.774 -0.733 1.00 0.00 O ATOM 1744 CB THR A 114 13.991 -8.653 0.364 1.00 0.00 C ATOM 1745 OG1 THR A 114 14.084 -9.140 -0.982 1.00 0.00 O ATOM 1746 CG2 THR A 114 13.975 -9.829 1.330 1.00 0.00 C ATOM 0 H THR A 114 11.880 -8.072 -1.366 1.00 0.00 H new ATOM 0 HA THR A 114 12.377 -7.900 1.545 1.00 0.00 H new ATOM 0 HB THR A 114 14.855 -8.029 0.593 1.00 0.00 H new ATOM 0 HG1 THR A 114 14.592 -9.978 -0.992 1.00 0.00 H new ATOM 0 HG21 THR A 114 14.884 -10.417 1.203 1.00 0.00 H new ATOM 0 HG22 THR A 114 13.923 -9.458 2.354 1.00 0.00 H new ATOM 0 HG23 THR A 114 13.106 -10.455 1.126 1.00 0.00 H new ATOM 1754 N MET A 115 13.822 -5.700 1.070 1.00 0.00 N ATOM 1755 CA MET A 115 14.044 -4.266 0.958 1.00 0.00 C ATOM 1756 C MET A 115 14.790 -3.919 -0.325 1.00 0.00 C ATOM 1757 O MET A 115 14.433 -2.965 -1.017 1.00 0.00 O ATOM 1758 CB MET A 115 14.804 -3.730 2.169 1.00 0.00 C ATOM 1759 CG MET A 115 14.806 -2.215 2.230 1.00 0.00 C ATOM 1760 SD MET A 115 13.132 -1.543 2.215 1.00 0.00 S ATOM 1761 CE MET A 115 13.470 0.202 2.024 1.00 0.00 C ATOM 0 H MET A 115 14.335 -6.153 1.826 1.00 0.00 H new ATOM 0 HA MET A 115 13.065 -3.789 0.925 1.00 0.00 H new ATOM 0 HB2 MET A 115 14.355 -4.126 3.080 1.00 0.00 H new ATOM 0 HB3 MET A 115 15.832 -4.090 2.137 1.00 0.00 H new ATOM 0 HG2 MET A 115 15.321 -1.888 3.133 1.00 0.00 H new ATOM 0 HG3 MET A 115 15.365 -1.818 1.383 1.00 0.00 H new ATOM 0 HE1 MET A 115 12.889 0.767 2.753 1.00 0.00 H new ATOM 0 HE2 MET A 115 14.532 0.387 2.185 1.00 0.00 H new ATOM 0 HE3 MET A 115 13.196 0.518 1.017 1.00 0.00 H new ATOM 1771 N ALA A 116 15.821 -4.700 -0.642 1.00 0.00 N ATOM 1772 CA ALA A 116 16.570 -4.514 -1.885 1.00 0.00 C ATOM 1773 C ALA A 116 15.633 -4.538 -3.087 1.00 0.00 C ATOM 1774 O ALA A 116 15.751 -3.719 -4.002 1.00 0.00 O ATOM 1775 CB ALA A 116 17.636 -5.587 -2.027 1.00 0.00 C ATOM 0 H ALA A 116 16.157 -5.466 -0.058 1.00 0.00 H new ATOM 0 HA ALA A 116 17.058 -3.540 -1.848 1.00 0.00 H new ATOM 0 HB1 ALA A 116 18.184 -5.434 -2.957 1.00 0.00 H new ATOM 0 HB2 ALA A 116 18.326 -5.528 -1.185 1.00 0.00 H new ATOM 0 HB3 ALA A 116 17.164 -6.569 -2.041 1.00 0.00 H new ATOM 1781 N GLN A 117 14.700 -5.481 -3.062 1.00 0.00 N ATOM 1782 CA GLN A 117 13.669 -5.579 -4.085 1.00 0.00 C ATOM 1783 C GLN A 117 12.851 -4.306 -4.136 1.00 0.00 C ATOM 1784 O GLN A 117 12.918 -3.601 -5.116 1.00 0.00 O ATOM 1785 CB GLN A 117 12.788 -6.804 -3.832 1.00 0.00 C ATOM 1786 CG GLN A 117 13.324 -8.090 -4.459 1.00 0.00 C ATOM 1787 CD GLN A 117 14.841 -8.189 -4.438 1.00 0.00 C ATOM 1788 OE1 GLN A 117 15.519 -7.780 -5.385 1.00 0.00 O ATOM 1789 NE2 GLN A 117 15.388 -8.724 -3.360 1.00 0.00 N ATOM 0 H GLN A 117 14.637 -6.195 -2.336 1.00 0.00 H new ATOM 0 HA GLN A 117 14.144 -5.704 -5.058 1.00 0.00 H new ATOM 0 HB2 GLN A 117 12.686 -6.950 -2.757 1.00 0.00 H new ATOM 0 HB3 GLN A 117 11.790 -6.609 -4.223 1.00 0.00 H new ATOM 0 HG2 GLN A 117 12.905 -8.945 -3.929 1.00 0.00 H new ATOM 0 HG3 GLN A 117 12.978 -8.153 -5.491 1.00 0.00 H new ATOM 0 HE21 GLN A 117 14.796 -9.051 -2.597 1.00 0.00 H new ATOM 0 HE22 GLN A 117 16.402 -8.809 -3.292 1.00 0.00 H new ATOM 1798 N MET A 118 12.132 -3.986 -3.065 1.00 0.00 N ATOM 1799 CA MET A 118 11.282 -2.786 -3.026 1.00 0.00 C ATOM 1800 C MET A 118 11.974 -1.542 -3.596 1.00 0.00 C ATOM 1801 O MET A 118 11.359 -0.771 -4.332 1.00 0.00 O ATOM 1802 CB MET A 118 10.806 -2.511 -1.598 1.00 0.00 C ATOM 1803 CG MET A 118 9.633 -3.380 -1.178 1.00 0.00 C ATOM 1804 SD MET A 118 8.154 -3.046 -2.156 1.00 0.00 S ATOM 1805 CE MET A 118 7.060 -4.344 -1.593 1.00 0.00 C ATOM 0 H MET A 118 12.116 -4.538 -2.207 1.00 0.00 H new ATOM 0 HA MET A 118 10.424 -2.995 -3.665 1.00 0.00 H new ATOM 0 HB2 MET A 118 11.635 -2.673 -0.909 1.00 0.00 H new ATOM 0 HB3 MET A 118 10.521 -1.462 -1.513 1.00 0.00 H new ATOM 0 HG2 MET A 118 9.906 -4.430 -1.281 1.00 0.00 H new ATOM 0 HG3 MET A 118 9.416 -3.209 -0.124 1.00 0.00 H new ATOM 0 HE1 MET A 118 6.047 -4.144 -1.943 1.00 0.00 H new ATOM 0 HE2 MET A 118 7.398 -5.302 -1.989 1.00 0.00 H new ATOM 0 HE3 MET A 118 7.067 -4.379 -0.504 1.00 0.00 H new ATOM 1815 N GLU A 119 13.253 -1.362 -3.281 1.00 0.00 N ATOM 1816 CA GLU A 119 14.012 -0.213 -3.773 1.00 0.00 C ATOM 1817 C GLU A 119 14.107 -0.197 -5.305 1.00 0.00 C ATOM 1818 O GLU A 119 13.687 0.766 -5.949 1.00 0.00 O ATOM 1819 CB GLU A 119 15.420 -0.212 -3.172 1.00 0.00 C ATOM 1820 CG GLU A 119 15.457 0.077 -1.680 1.00 0.00 C ATOM 1821 CD GLU A 119 14.978 1.474 -1.341 1.00 0.00 C ATOM 1822 OE1 GLU A 119 15.644 2.448 -1.750 1.00 0.00 O ATOM 1823 OE2 GLU A 119 13.955 1.607 -0.642 1.00 0.00 O ATOM 0 H GLU A 119 13.787 -1.996 -2.687 1.00 0.00 H new ATOM 0 HA GLU A 119 13.476 0.684 -3.462 1.00 0.00 H new ATOM 0 HB2 GLU A 119 15.882 -1.182 -3.355 1.00 0.00 H new ATOM 0 HB3 GLU A 119 16.024 0.532 -3.691 1.00 0.00 H new ATOM 0 HG2 GLU A 119 14.837 -0.652 -1.158 1.00 0.00 H new ATOM 0 HG3 GLU A 119 16.476 -0.052 -1.315 1.00 0.00 H new ATOM 1830 N LEU A 120 14.654 -1.261 -5.882 1.00 0.00 N ATOM 1831 CA LEU A 120 14.889 -1.320 -7.330 1.00 0.00 C ATOM 1832 C LEU A 120 13.591 -1.584 -8.093 1.00 0.00 C ATOM 1833 O LEU A 120 13.430 -1.177 -9.243 1.00 0.00 O ATOM 1834 CB LEU A 120 15.920 -2.407 -7.664 1.00 0.00 C ATOM 1835 CG LEU A 120 17.392 -2.023 -7.453 1.00 0.00 C ATOM 1836 CD1 LEU A 120 17.705 -1.797 -5.981 1.00 0.00 C ATOM 1837 CD2 LEU A 120 18.303 -3.098 -8.027 1.00 0.00 C ATOM 0 H LEU A 120 14.945 -2.097 -5.374 1.00 0.00 H new ATOM 0 HA LEU A 120 15.278 -0.350 -7.641 1.00 0.00 H new ATOM 0 HB2 LEU A 120 15.703 -3.285 -7.056 1.00 0.00 H new ATOM 0 HB3 LEU A 120 15.787 -2.699 -8.706 1.00 0.00 H new ATOM 0 HG LEU A 120 17.571 -1.085 -7.978 1.00 0.00 H new ATOM 0 HD11 LEU A 120 18.755 -1.527 -5.870 1.00 0.00 H new ATOM 0 HD12 LEU A 120 17.080 -0.991 -5.596 1.00 0.00 H new ATOM 0 HD13 LEU A 120 17.504 -2.711 -5.422 1.00 0.00 H new ATOM 0 HD21 LEU A 120 19.344 -2.814 -7.871 1.00 0.00 H new ATOM 0 HD22 LEU A 120 18.107 -4.046 -7.527 1.00 0.00 H new ATOM 0 HD23 LEU A 120 18.112 -3.205 -9.095 1.00 0.00 H new ATOM 1849 N VAL A 121 12.673 -2.243 -7.423 1.00 0.00 N ATOM 1850 CA VAL A 121 11.395 -2.635 -7.989 1.00 0.00 C ATOM 1851 C VAL A 121 10.488 -1.417 -8.157 1.00 0.00 C ATOM 1852 O VAL A 121 9.903 -1.206 -9.220 1.00 0.00 O ATOM 1853 CB VAL A 121 10.731 -3.709 -7.087 1.00 0.00 C ATOM 1854 CG1 VAL A 121 9.255 -3.861 -7.358 1.00 0.00 C ATOM 1855 CG2 VAL A 121 11.416 -5.057 -7.261 1.00 0.00 C ATOM 0 H VAL A 121 12.793 -2.528 -6.451 1.00 0.00 H new ATOM 0 HA VAL A 121 11.557 -3.065 -8.977 1.00 0.00 H new ATOM 0 HB VAL A 121 10.849 -3.364 -6.060 1.00 0.00 H new ATOM 0 HG11 VAL A 121 8.841 -4.625 -6.700 1.00 0.00 H new ATOM 0 HG12 VAL A 121 8.752 -2.912 -7.174 1.00 0.00 H new ATOM 0 HG13 VAL A 121 9.104 -4.156 -8.396 1.00 0.00 H new ATOM 0 HG21 VAL A 121 10.935 -5.795 -6.620 1.00 0.00 H new ATOM 0 HG22 VAL A 121 11.337 -5.374 -8.301 1.00 0.00 H new ATOM 0 HG23 VAL A 121 12.467 -4.969 -6.987 1.00 0.00 H new ATOM 1865 N MET A 122 10.404 -0.593 -7.118 1.00 0.00 N ATOM 1866 CA MET A 122 9.642 0.650 -7.192 1.00 0.00 C ATOM 1867 C MET A 122 10.348 1.651 -8.097 1.00 0.00 C ATOM 1868 O MET A 122 9.714 2.523 -8.698 1.00 0.00 O ATOM 1869 CB MET A 122 9.431 1.236 -5.794 1.00 0.00 C ATOM 1870 CG MET A 122 8.129 0.792 -5.144 1.00 0.00 C ATOM 1871 SD MET A 122 7.892 -0.995 -5.196 1.00 0.00 S ATOM 1872 CE MET A 122 6.244 -1.139 -4.511 1.00 0.00 C ATOM 0 H MET A 122 10.852 -0.762 -6.217 1.00 0.00 H new ATOM 0 HA MET A 122 8.663 0.432 -7.619 1.00 0.00 H new ATOM 0 HB2 MET A 122 10.265 0.944 -5.156 1.00 0.00 H new ATOM 0 HB3 MET A 122 9.444 2.324 -5.858 1.00 0.00 H new ATOM 0 HG2 MET A 122 8.115 1.125 -4.106 1.00 0.00 H new ATOM 0 HG3 MET A 122 7.293 1.279 -5.647 1.00 0.00 H new ATOM 0 HE1 MET A 122 5.954 -2.189 -4.478 1.00 0.00 H new ATOM 0 HE2 MET A 122 6.232 -0.727 -3.502 1.00 0.00 H new ATOM 0 HE3 MET A 122 5.541 -0.588 -5.136 1.00 0.00 H new ATOM 1882 N LYS A 123 11.665 1.507 -8.197 1.00 0.00 N ATOM 1883 CA LYS A 123 12.467 2.308 -9.112 1.00 0.00 C ATOM 1884 C LYS A 123 12.065 2.029 -10.561 1.00 0.00 C ATOM 1885 O LYS A 123 12.067 2.928 -11.402 1.00 0.00 O ATOM 1886 CB LYS A 123 13.952 1.994 -8.908 1.00 0.00 C ATOM 1887 CG LYS A 123 14.885 2.727 -9.857 1.00 0.00 C ATOM 1888 CD LYS A 123 16.298 2.180 -9.765 1.00 0.00 C ATOM 1889 CE LYS A 123 17.222 2.846 -10.768 1.00 0.00 C ATOM 1890 NZ LYS A 123 18.544 2.170 -10.838 1.00 0.00 N ATOM 0 H LYS A 123 12.203 0.836 -7.649 1.00 0.00 H new ATOM 0 HA LYS A 123 12.291 3.363 -8.903 1.00 0.00 H new ATOM 0 HB2 LYS A 123 14.226 2.244 -7.883 1.00 0.00 H new ATOM 0 HB3 LYS A 123 14.103 0.921 -9.026 1.00 0.00 H new ATOM 0 HG2 LYS A 123 14.520 2.629 -10.879 1.00 0.00 H new ATOM 0 HG3 LYS A 123 14.887 3.791 -9.620 1.00 0.00 H new ATOM 0 HD2 LYS A 123 16.683 2.334 -8.757 1.00 0.00 H new ATOM 0 HD3 LYS A 123 16.284 1.104 -9.941 1.00 0.00 H new ATOM 0 HE2 LYS A 123 16.756 2.835 -11.753 1.00 0.00 H new ATOM 0 HE3 LYS A 123 17.363 3.891 -10.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 19.146 2.655 -11.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 19.000 2.202 -9.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 18.412 1.179 -11.125 1.00 0.00 H new ATOM 1904 N ALA A 124 11.713 0.778 -10.841 1.00 0.00 N ATOM 1905 CA ALA A 124 11.299 0.377 -12.181 1.00 0.00 C ATOM 1906 C ALA A 124 9.911 0.916 -12.511 1.00 0.00 C ATOM 1907 O ALA A 124 9.640 1.321 -13.642 1.00 0.00 O ATOM 1908 CB ALA A 124 11.324 -1.139 -12.309 1.00 0.00 C ATOM 0 H ALA A 124 11.706 0.023 -10.156 1.00 0.00 H new ATOM 0 HA ALA A 124 12.004 0.802 -12.895 1.00 0.00 H new ATOM 0 HB1 ALA A 124 11.013 -1.424 -13.314 1.00 0.00 H new ATOM 0 HB2 ALA A 124 12.335 -1.503 -12.125 1.00 0.00 H new ATOM 0 HB3 ALA A 124 10.642 -1.577 -11.580 1.00 0.00 H new ATOM 1914 N ALA A 125 9.032 0.920 -11.515 1.00 0.00 N ATOM 1915 CA ALA A 125 7.673 1.419 -11.694 1.00 0.00 C ATOM 1916 C ALA A 125 7.666 2.932 -11.870 1.00 0.00 C ATOM 1917 O ALA A 125 6.808 3.485 -12.560 1.00 0.00 O ATOM 1918 CB ALA A 125 6.802 1.030 -10.512 1.00 0.00 C ATOM 0 H ALA A 125 9.236 0.583 -10.574 1.00 0.00 H new ATOM 0 HA ALA A 125 7.266 0.965 -12.597 1.00 0.00 H new ATOM 0 HB1 ALA A 125 5.792 1.411 -10.663 1.00 0.00 H new ATOM 0 HB2 ALA A 125 6.771 -0.056 -10.425 1.00 0.00 H new ATOM 0 HB3 ALA A 125 7.217 1.456 -9.598 1.00 0.00 H new ATOM 1924 N GLY A 126 8.635 3.591 -11.254 1.00 0.00 N ATOM 1925 CA GLY A 126 8.694 5.035 -11.303 1.00 0.00 C ATOM 1926 C GLY A 126 7.998 5.659 -10.114 1.00 0.00 C ATOM 1927 O GLY A 126 7.410 6.735 -10.217 1.00 0.00 O ATOM 0 H GLY A 126 9.383 3.149 -10.720 1.00 0.00 H new ATOM 0 HA2 GLY A 126 9.735 5.357 -11.327 1.00 0.00 H new ATOM 0 HA3 GLY A 126 8.230 5.388 -12.224 1.00 0.00 H new ATOM 1931 N PHE A 127 8.056 4.969 -8.984 1.00 0.00 N ATOM 1932 CA PHE A 127 7.445 5.458 -7.759 1.00 0.00 C ATOM 1933 C PHE A 127 8.439 6.298 -6.972 1.00 0.00 C ATOM 1934 O PHE A 127 9.620 5.959 -6.883 1.00 0.00 O ATOM 1935 CB PHE A 127 6.946 4.294 -6.900 1.00 0.00 C ATOM 1936 CG PHE A 127 5.791 3.537 -7.498 1.00 0.00 C ATOM 1937 CD1 PHE A 127 4.786 4.201 -8.182 1.00 0.00 C ATOM 1938 CD2 PHE A 127 5.701 2.161 -7.357 1.00 0.00 C ATOM 1939 CE1 PHE A 127 3.716 3.509 -8.716 1.00 0.00 C ATOM 1940 CE2 PHE A 127 4.634 1.464 -7.890 1.00 0.00 C ATOM 1941 CZ PHE A 127 3.640 2.139 -8.570 1.00 0.00 C ATOM 0 H PHE A 127 8.522 4.066 -8.891 1.00 0.00 H new ATOM 0 HA PHE A 127 6.591 6.080 -8.029 1.00 0.00 H new ATOM 0 HB2 PHE A 127 7.771 3.602 -6.731 1.00 0.00 H new ATOM 0 HB3 PHE A 127 6.648 4.679 -5.925 1.00 0.00 H new ATOM 0 HD1 PHE A 127 4.840 5.273 -8.299 1.00 0.00 H new ATOM 0 HD2 PHE A 127 6.474 1.627 -6.824 1.00 0.00 H new ATOM 0 HE1 PHE A 127 2.940 4.040 -9.247 1.00 0.00 H new ATOM 0 HE2 PHE A 127 4.577 0.392 -7.775 1.00 0.00 H new ATOM 0 HZ PHE A 127 2.805 1.596 -8.987 1.00 0.00 H new ATOM 1951 N LYS A 128 7.960 7.396 -6.407 1.00 0.00 N ATOM 1952 CA LYS A 128 8.814 8.298 -5.650 1.00 0.00 C ATOM 1953 C LYS A 128 8.676 8.042 -4.157 1.00 0.00 C ATOM 1954 O LYS A 128 7.565 8.031 -3.617 1.00 0.00 O ATOM 1955 CB LYS A 128 8.459 9.753 -5.964 1.00 0.00 C ATOM 1956 CG LYS A 128 9.293 10.763 -5.192 1.00 0.00 C ATOM 1957 CD LYS A 128 8.948 12.188 -5.583 1.00 0.00 C ATOM 1958 CE LYS A 128 9.215 12.441 -7.057 1.00 0.00 C ATOM 1959 NZ LYS A 128 8.978 13.859 -7.427 1.00 0.00 N ATOM 0 H LYS A 128 6.983 7.684 -6.459 1.00 0.00 H new ATOM 0 HA LYS A 128 9.848 8.113 -5.941 1.00 0.00 H new ATOM 0 HB2 LYS A 128 8.589 9.928 -7.032 1.00 0.00 H new ATOM 0 HB3 LYS A 128 7.405 9.918 -5.740 1.00 0.00 H new ATOM 0 HG2 LYS A 128 9.130 10.629 -4.123 1.00 0.00 H new ATOM 0 HG3 LYS A 128 10.351 10.580 -5.378 1.00 0.00 H new ATOM 0 HD2 LYS A 128 7.898 12.383 -5.364 1.00 0.00 H new ATOM 0 HD3 LYS A 128 9.533 12.883 -4.981 1.00 0.00 H new ATOM 0 HE2 LYS A 128 10.245 12.172 -7.291 1.00 0.00 H new ATOM 0 HE3 LYS A 128 8.573 11.797 -7.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 9.171 13.990 -8.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 7.988 14.109 -7.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 9.608 14.473 -6.872 1.00 0.00 H new ATOM 1973 N GLU A 129 9.805 7.839 -3.496 1.00 0.00 N ATOM 1974 CA GLU A 129 9.818 7.585 -2.066 1.00 0.00 C ATOM 1975 C GLU A 129 9.891 8.891 -1.282 1.00 0.00 C ATOM 1976 O GLU A 129 10.800 9.700 -1.468 1.00 0.00 O ATOM 1977 CB GLU A 129 10.976 6.651 -1.679 1.00 0.00 C ATOM 1978 CG GLU A 129 11.964 6.356 -2.803 1.00 0.00 C ATOM 1979 CD GLU A 129 12.859 7.534 -3.140 1.00 0.00 C ATOM 1980 OE1 GLU A 129 13.899 7.703 -2.467 1.00 0.00 O ATOM 1981 OE2 GLU A 129 12.529 8.286 -4.081 1.00 0.00 O ATOM 0 H GLU A 129 10.728 7.846 -3.931 1.00 0.00 H new ATOM 0 HA GLU A 129 8.884 7.086 -1.808 1.00 0.00 H new ATOM 0 HB2 GLU A 129 11.519 7.095 -0.845 1.00 0.00 H new ATOM 0 HB3 GLU A 129 10.560 5.708 -1.323 1.00 0.00 H new ATOM 0 HG2 GLU A 129 12.585 5.507 -2.518 1.00 0.00 H new ATOM 0 HG3 GLU A 129 11.411 6.062 -3.695 1.00 0.00 H new ATOM 1988 N VAL A 130 8.916 9.088 -0.410 1.00 0.00 N ATOM 1989 CA VAL A 130 8.821 10.298 0.394 1.00 0.00 C ATOM 1990 C VAL A 130 9.524 10.093 1.734 1.00 0.00 C ATOM 1991 O VAL A 130 9.848 11.055 2.433 1.00 0.00 O ATOM 1992 CB VAL A 130 7.343 10.674 0.651 1.00 0.00 C ATOM 1993 CG1 VAL A 130 7.220 12.079 1.220 1.00 0.00 C ATOM 1994 CG2 VAL A 130 6.521 10.531 -0.622 1.00 0.00 C ATOM 0 H VAL A 130 8.168 8.415 -0.239 1.00 0.00 H new ATOM 0 HA VAL A 130 9.302 11.107 -0.156 1.00 0.00 H new ATOM 0 HB VAL A 130 6.948 9.981 1.393 1.00 0.00 H new ATOM 0 HG11 VAL A 130 6.169 12.312 1.389 1.00 0.00 H new ATOM 0 HG12 VAL A 130 7.761 12.138 2.164 1.00 0.00 H new ATOM 0 HG13 VAL A 130 7.642 12.795 0.515 1.00 0.00 H new ATOM 0 HG21 VAL A 130 5.485 10.800 -0.418 1.00 0.00 H new ATOM 0 HG22 VAL A 130 6.923 11.191 -1.391 1.00 0.00 H new ATOM 0 HG23 VAL A 130 6.566 9.499 -0.970 1.00 0.00 H new ATOM 2004 N LYS A 131 9.761 8.823 2.070 1.00 0.00 N ATOM 2005 CA LYS A 131 10.353 8.436 3.352 1.00 0.00 C ATOM 2006 C LYS A 131 9.390 8.767 4.494 1.00 0.00 C ATOM 2007 O LYS A 131 8.225 9.084 4.257 1.00 0.00 O ATOM 2008 CB LYS A 131 11.706 9.133 3.581 1.00 0.00 C ATOM 2009 CG LYS A 131 12.724 8.894 2.474 1.00 0.00 C ATOM 2010 CD LYS A 131 14.019 9.653 2.736 1.00 0.00 C ATOM 2011 CE LYS A 131 14.813 9.040 3.880 1.00 0.00 C ATOM 2012 NZ LYS A 131 15.929 9.923 4.321 1.00 0.00 N ATOM 0 H LYS A 131 9.548 8.034 1.460 1.00 0.00 H new ATOM 0 HA LYS A 131 10.531 7.361 3.329 1.00 0.00 H new ATOM 0 HB2 LYS A 131 11.538 10.205 3.680 1.00 0.00 H new ATOM 0 HB3 LYS A 131 12.125 8.788 4.526 1.00 0.00 H new ATOM 0 HG2 LYS A 131 12.935 7.827 2.396 1.00 0.00 H new ATOM 0 HG3 LYS A 131 12.304 9.207 1.518 1.00 0.00 H new ATOM 0 HD2 LYS A 131 14.628 9.656 1.832 1.00 0.00 H new ATOM 0 HD3 LYS A 131 13.790 10.693 2.969 1.00 0.00 H new ATOM 0 HE2 LYS A 131 14.147 8.849 4.722 1.00 0.00 H new ATOM 0 HE3 LYS A 131 15.215 8.077 3.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 16.444 9.468 5.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 16.579 10.085 3.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 15.544 10.833 4.644 1.00 0.00 H new