USER MOD reduce.3.24.130724 H: found=0, std=0, add=966, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 967 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 109 MET CE :methyl -166:sc= 0 (180deg=-0.142) USER MOD Set 1.2: A 124 MET CE :methyl 160:sc= -0.0891 (180deg=-0.632) USER MOD Set 2.1: A 60 ASN : amide:sc= 0.272 X(o=0.57,f=0.07) USER MOD Set 2.2: A 62 THR OG1 : rot -73:sc= 0.296 USER MOD Set 3.1: A 28 THR OG1 : rot -70:sc= 1.46 USER MOD Set 3.2: A 30 LYS NZ :NH3+ -156:sc= 0.853 (180deg=0) USER MOD Set 4.1: A 29 THR OG1 : rot 140:sc= 0.0411 USER MOD Set 4.2: A 49 GLN : amide:sc= 0 X(o=0.041,f=0.2) USER MOD Single : A 5 THR OG1 : rot 180:sc=-0.00873 USER MOD Single : A 8 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -25:sc= 1.22 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0.375 X(o=0.38,f=0) USER MOD Single : A 42 ASN : amide:sc= -0.0462 X(o=-0.046,f=-0.031) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 MET CE :methyl -172:sc= -0.0637 (180deg=-0.182) USER MOD Single : A 53 ASN : amide:sc= -0.147 K(o=-0.15,f=-3.1!) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl -144:sc= -0.246 (180deg=-0.329) USER MOD Single : A 72 MET CE :methyl -177:sc= -1.35 (180deg=-1.36) USER MOD Single : A 94 LYS NZ :NH3+ -120:sc= 0 (180deg=-0.00166) USER MOD Single : A 97 ASN : amide:sc= 0.256 K(o=0.26,f=-2.7!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 110 THR OG1 : rot 11:sc= 0.361 USER MOD Single : A 111 ASN : amide:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 115 LYS NZ :NH3+ -165:sc= -0.0604 (180deg=-0.269) USER MOD Single : A 117 THR OG1 : rot -77:sc= 1.3 USER MOD Single : A 135 GLN : amide:sc= -0.145 K(o=-0.15,f=-3.9!) USER MOD Single : A 137 ASN : amide:sc=-0.00243 K(o=-0.0024,f=-2.9!) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 144 MET CE :methyl -156:sc= -0.508 (180deg=-1.29!) USER MOD Single : A 145 MET CE :methyl 160:sc= -0.0939 (180deg=-0.614) USER MOD ----------------------------------------------------------------- ATOM 58 N THR A 5 -12.183 16.939 0.949 1.00 0.00 N ATOM 59 CA THR A 5 -13.037 17.963 0.432 1.00 0.00 C ATOM 60 C THR A 5 -14.337 17.331 0.072 1.00 0.00 C ATOM 61 O THR A 5 -14.343 16.155 -0.287 1.00 0.00 O ATOM 62 CB THR A 5 -12.553 18.719 -0.770 1.00 0.00 C ATOM 63 OG1 THR A 5 -12.449 17.931 -1.946 1.00 0.00 O ATOM 64 CG2 THR A 5 -11.153 19.275 -0.457 1.00 0.00 C ATOM 0 HA THR A 5 -13.092 18.706 1.228 1.00 0.00 H new ATOM 0 HB THR A 5 -13.290 19.498 -0.967 1.00 0.00 H new ATOM 0 HG1 THR A 5 -12.130 18.489 -2.686 1.00 0.00 H new ATOM 0 HG21 THR A 5 -10.781 19.829 -1.319 1.00 0.00 H new ATOM 0 HG22 THR A 5 -11.210 19.939 0.405 1.00 0.00 H new ATOM 0 HG23 THR A 5 -10.475 18.451 -0.236 1.00 0.00 H new ATOM 72 N GLU A 6 -15.423 18.124 0.059 1.00 0.00 N ATOM 73 CA GLU A 6 -16.718 17.756 -0.424 1.00 0.00 C ATOM 74 C GLU A 6 -16.796 17.163 -1.789 1.00 0.00 C ATOM 75 O GLU A 6 -17.530 16.184 -1.912 1.00 0.00 O ATOM 76 CB GLU A 6 -17.659 18.960 -0.248 1.00 0.00 C ATOM 77 CG GLU A 6 -19.145 18.616 -0.365 1.00 0.00 C ATOM 78 CD GLU A 6 -19.994 19.818 0.022 1.00 0.00 C ATOM 79 OE1 GLU A 6 -19.921 20.964 -0.496 1.00 0.00 O ATOM 80 OE2 GLU A 6 -20.737 19.589 1.014 1.00 0.00 O ATOM 0 H GLU A 6 -15.394 19.082 0.408 1.00 0.00 H new ATOM 0 HA GLU A 6 -17.036 16.911 0.187 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -17.477 19.409 0.728 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -17.412 19.713 -0.996 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -19.376 18.312 -1.386 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -19.382 17.771 0.281 1.00 0.00 H new ATOM 87 N GLU A 7 -15.971 17.692 -2.711 1.00 0.00 N ATOM 88 CA GLU A 7 -15.926 17.221 -4.060 1.00 0.00 C ATOM 89 C GLU A 7 -15.468 15.803 -4.062 1.00 0.00 C ATOM 90 O GLU A 7 -15.971 14.992 -4.837 1.00 0.00 O ATOM 91 CB GLU A 7 -15.107 18.164 -4.958 1.00 0.00 C ATOM 92 CG GLU A 7 -15.987 19.302 -5.480 1.00 0.00 C ATOM 93 CD GLU A 7 -15.349 20.097 -6.610 1.00 0.00 C ATOM 94 OE1 GLU A 7 -15.333 19.559 -7.750 1.00 0.00 O ATOM 95 OE2 GLU A 7 -14.932 21.261 -6.369 1.00 0.00 O ATOM 0 H GLU A 7 -15.326 18.458 -2.517 1.00 0.00 H new ATOM 0 HA GLU A 7 -16.922 17.232 -4.502 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -14.268 18.573 -4.396 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -14.688 17.606 -5.796 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -16.933 18.888 -5.828 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -16.218 19.978 -4.657 1.00 0.00 H new ATOM 102 N GLN A 8 -14.547 15.366 -3.184 1.00 0.00 N ATOM 103 CA GLN A 8 -14.037 14.035 -3.070 1.00 0.00 C ATOM 104 C GLN A 8 -15.044 13.132 -2.445 1.00 0.00 C ATOM 105 O GLN A 8 -15.140 11.972 -2.841 1.00 0.00 O ATOM 106 CB GLN A 8 -12.714 14.066 -2.286 1.00 0.00 C ATOM 107 CG GLN A 8 -11.553 14.796 -2.964 1.00 0.00 C ATOM 108 CD GLN A 8 -10.263 14.906 -2.164 1.00 0.00 C ATOM 109 OE1 GLN A 8 -10.169 14.281 -1.108 1.00 0.00 O ATOM 110 NE2 GLN A 8 -9.253 15.636 -2.710 1.00 0.00 N ATOM 0 H GLN A 8 -14.127 15.995 -2.500 1.00 0.00 H new ATOM 0 HA GLN A 8 -13.836 13.632 -4.063 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -12.898 14.535 -1.319 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -12.407 13.039 -2.089 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -11.331 14.287 -3.902 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -11.884 15.803 -3.218 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -9.399 16.131 -3.590 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -8.350 15.689 -2.239 1.00 0.00 H new ATOM 119 N ILE A 9 -15.827 13.585 -1.450 1.00 0.00 N ATOM 120 CA ILE A 9 -16.857 12.874 -0.758 1.00 0.00 C ATOM 121 C ILE A 9 -18.003 12.565 -1.659 1.00 0.00 C ATOM 122 O ILE A 9 -18.530 11.454 -1.688 1.00 0.00 O ATOM 123 CB ILE A 9 -17.164 13.604 0.515 1.00 0.00 C ATOM 124 CG1 ILE A 9 -15.849 13.613 1.313 1.00 0.00 C ATOM 125 CG2 ILE A 9 -18.326 12.899 1.234 1.00 0.00 C ATOM 126 CD1 ILE A 9 -15.938 14.219 2.713 1.00 0.00 C ATOM 0 H ILE A 9 -15.728 14.538 -1.099 1.00 0.00 H new ATOM 0 HA ILE A 9 -16.532 11.880 -0.452 1.00 0.00 H new ATOM 0 HB ILE A 9 -17.496 14.631 0.365 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -15.490 12.588 1.401 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -15.101 14.165 0.743 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -18.554 13.426 2.161 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -19.206 12.900 0.591 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -18.043 11.871 1.461 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -14.959 14.177 3.191 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -16.262 15.257 2.640 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -16.657 13.656 3.308 1.00 0.00 H new ATOM 138 N ALA A 10 -18.392 13.506 -2.537 1.00 0.00 N ATOM 139 CA ALA A 10 -19.356 13.428 -3.591 1.00 0.00 C ATOM 140 C ALA A 10 -18.885 12.498 -4.656 1.00 0.00 C ATOM 141 O ALA A 10 -19.659 11.725 -5.218 1.00 0.00 O ATOM 142 CB ALA A 10 -19.505 14.844 -4.173 1.00 0.00 C ATOM 0 H ALA A 10 -17.976 14.437 -2.500 1.00 0.00 H new ATOM 0 HA ALA A 10 -20.307 13.054 -3.212 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -20.234 14.830 -4.983 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -19.844 15.525 -3.392 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -18.543 15.183 -4.557 1.00 0.00 H new ATOM 148 N GLU A 11 -17.571 12.375 -4.917 1.00 0.00 N ATOM 149 CA GLU A 11 -17.069 11.395 -5.830 1.00 0.00 C ATOM 150 C GLU A 11 -17.391 10.019 -5.358 1.00 0.00 C ATOM 151 O GLU A 11 -17.853 9.144 -6.088 1.00 0.00 O ATOM 152 CB GLU A 11 -15.574 11.580 -6.138 1.00 0.00 C ATOM 153 CG GLU A 11 -15.266 12.670 -7.166 1.00 0.00 C ATOM 154 CD GLU A 11 -15.762 12.157 -8.511 1.00 0.00 C ATOM 155 OE1 GLU A 11 -15.323 11.042 -8.899 1.00 0.00 O ATOM 156 OE2 GLU A 11 -16.539 12.860 -9.210 1.00 0.00 O ATOM 0 H GLU A 11 -16.851 12.959 -4.492 1.00 0.00 H new ATOM 0 HA GLU A 11 -17.580 11.544 -6.781 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -15.052 11.816 -5.211 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -15.171 10.634 -6.499 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -15.763 13.603 -6.901 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -14.196 12.877 -7.202 1.00 0.00 H new ATOM 163 N PHE A 12 -17.069 9.786 -4.073 1.00 0.00 N ATOM 164 CA PHE A 12 -17.265 8.621 -3.267 1.00 0.00 C ATOM 165 C PHE A 12 -18.699 8.219 -3.250 1.00 0.00 C ATOM 166 O PHE A 12 -19.029 7.041 -3.375 1.00 0.00 O ATOM 167 CB PHE A 12 -16.779 8.595 -1.808 1.00 0.00 C ATOM 168 CG PHE A 12 -15.304 8.743 -1.653 1.00 0.00 C ATOM 169 CD1 PHE A 12 -14.359 8.699 -2.651 1.00 0.00 C ATOM 170 CD2 PHE A 12 -14.884 9.105 -0.395 1.00 0.00 C ATOM 171 CE1 PHE A 12 -13.036 8.966 -2.387 1.00 0.00 C ATOM 172 CE2 PHE A 12 -13.561 9.334 -0.099 1.00 0.00 C ATOM 173 CZ PHE A 12 -12.633 9.292 -1.113 1.00 0.00 C ATOM 0 H PHE A 12 -16.609 10.517 -3.531 1.00 0.00 H new ATOM 0 HA PHE A 12 -16.599 7.931 -3.785 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -17.273 9.396 -1.258 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -17.089 7.656 -1.350 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -14.661 8.451 -3.658 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -15.619 9.213 0.389 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -12.309 8.919 -3.185 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -13.255 9.544 0.915 1.00 0.00 H new ATOM 0 HZ PHE A 12 -11.596 9.513 -0.910 1.00 0.00 H new ATOM 183 N LYS A 13 -19.607 9.200 -3.097 1.00 0.00 N ATOM 184 CA LYS A 13 -21.012 8.934 -3.099 1.00 0.00 C ATOM 185 C LYS A 13 -21.506 8.400 -4.400 1.00 0.00 C ATOM 186 O LYS A 13 -22.259 7.432 -4.489 1.00 0.00 O ATOM 187 CB LYS A 13 -21.724 10.253 -2.756 1.00 0.00 C ATOM 188 CG LYS A 13 -23.159 10.177 -2.232 1.00 0.00 C ATOM 189 CD LYS A 13 -23.718 11.530 -1.786 1.00 0.00 C ATOM 190 CE LYS A 13 -23.052 12.038 -0.506 1.00 0.00 C ATOM 191 NZ LYS A 13 -23.682 13.315 -0.101 1.00 0.00 N ATOM 0 H LYS A 13 -19.366 10.183 -2.971 1.00 0.00 H new ATOM 0 HA LYS A 13 -21.225 8.157 -2.364 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -21.123 10.773 -2.010 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -21.728 10.874 -3.652 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -23.801 9.767 -3.012 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -23.194 9.483 -1.392 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -23.575 12.260 -2.582 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -24.792 11.442 -1.624 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -23.155 11.300 0.289 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -21.984 12.182 -0.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -23.232 13.664 0.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -23.561 14.017 -0.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -24.696 13.162 0.071 1.00 0.00 H new ATOM 205 N GLU A 14 -20.969 8.990 -5.483 1.00 0.00 N ATOM 206 CA GLU A 14 -21.197 8.518 -6.813 1.00 0.00 C ATOM 207 C GLU A 14 -20.653 7.154 -7.063 1.00 0.00 C ATOM 208 O GLU A 14 -21.294 6.351 -7.740 1.00 0.00 O ATOM 209 CB GLU A 14 -20.600 9.470 -7.863 1.00 0.00 C ATOM 210 CG GLU A 14 -20.891 9.140 -9.328 1.00 0.00 C ATOM 211 CD GLU A 14 -20.473 10.166 -10.372 1.00 0.00 C ATOM 212 OE1 GLU A 14 -19.285 10.580 -10.431 1.00 0.00 O ATOM 213 OE2 GLU A 14 -21.371 10.675 -11.095 1.00 0.00 O ATOM 0 H GLU A 14 -20.365 9.810 -5.434 1.00 0.00 H new ATOM 0 HA GLU A 14 -22.282 8.478 -6.908 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -20.968 10.476 -7.660 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -19.519 9.493 -7.727 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -20.398 8.197 -9.566 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -21.963 8.973 -9.429 1.00 0.00 H new ATOM 220 N ALA A 15 -19.416 6.888 -6.605 1.00 0.00 N ATOM 221 CA ALA A 15 -18.722 5.645 -6.744 1.00 0.00 C ATOM 222 C ALA A 15 -19.409 4.502 -6.079 1.00 0.00 C ATOM 223 O ALA A 15 -19.405 3.403 -6.632 1.00 0.00 O ATOM 224 CB ALA A 15 -17.300 6.027 -6.302 1.00 0.00 C ATOM 0 H ALA A 15 -18.866 7.587 -6.106 1.00 0.00 H new ATOM 0 HA ALA A 15 -18.696 5.222 -7.748 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -16.653 5.152 -6.361 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -16.913 6.809 -6.956 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -17.324 6.392 -5.275 1.00 0.00 H new ATOM 230 N PHE A 16 -20.169 4.821 -5.017 1.00 0.00 N ATOM 231 CA PHE A 16 -20.938 3.949 -4.183 1.00 0.00 C ATOM 232 C PHE A 16 -21.991 3.285 -5.002 1.00 0.00 C ATOM 233 O PHE A 16 -22.177 2.070 -5.045 1.00 0.00 O ATOM 234 CB PHE A 16 -21.428 4.735 -2.956 1.00 0.00 C ATOM 235 CG PHE A 16 -21.864 3.838 -1.850 1.00 0.00 C ATOM 236 CD1 PHE A 16 -22.952 3.022 -2.053 1.00 0.00 C ATOM 237 CD2 PHE A 16 -21.150 3.726 -0.680 1.00 0.00 C ATOM 238 CE1 PHE A 16 -23.351 2.109 -1.106 1.00 0.00 C ATOM 239 CE2 PHE A 16 -21.576 2.868 0.305 1.00 0.00 C ATOM 240 CZ PHE A 16 -22.660 2.051 0.081 1.00 0.00 C ATOM 0 H PHE A 16 -20.252 5.791 -4.713 1.00 0.00 H new ATOM 0 HA PHE A 16 -20.345 3.129 -3.777 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -20.629 5.385 -2.600 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -22.257 5.379 -3.247 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -23.505 3.100 -2.977 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -20.255 4.312 -0.535 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -24.188 1.452 -1.290 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -21.061 2.835 1.254 1.00 0.00 H new ATOM 0 HZ PHE A 16 -22.972 1.356 0.847 1.00 0.00 H new ATOM 250 N SER A 17 -22.779 4.022 -5.806 1.00 0.00 N ATOM 251 CA SER A 17 -23.899 3.526 -6.545 1.00 0.00 C ATOM 252 C SER A 17 -23.552 2.749 -7.768 1.00 0.00 C ATOM 253 O SER A 17 -24.317 1.909 -8.240 1.00 0.00 O ATOM 254 CB SER A 17 -24.886 4.668 -6.839 1.00 0.00 C ATOM 255 OG SER A 17 -25.049 5.496 -5.698 1.00 0.00 O ATOM 0 H SER A 17 -22.625 5.020 -5.948 1.00 0.00 H new ATOM 0 HA SER A 17 -24.384 2.790 -5.903 1.00 0.00 H new ATOM 0 HB2 SER A 17 -24.523 5.263 -7.677 1.00 0.00 H new ATOM 0 HB3 SER A 17 -25.850 4.255 -7.135 1.00 0.00 H new ATOM 0 HG SER A 17 -25.679 6.218 -5.905 1.00 0.00 H new ATOM 261 N LEU A 18 -22.289 2.834 -8.223 1.00 0.00 N ATOM 262 CA LEU A 18 -21.725 1.987 -9.227 1.00 0.00 C ATOM 263 C LEU A 18 -21.404 0.661 -8.630 1.00 0.00 C ATOM 264 O LEU A 18 -21.501 -0.340 -9.339 1.00 0.00 O ATOM 265 CB LEU A 18 -20.481 2.601 -9.891 1.00 0.00 C ATOM 266 CG LEU A 18 -20.653 3.966 -10.579 1.00 0.00 C ATOM 267 CD1 LEU A 18 -19.346 4.553 -11.138 1.00 0.00 C ATOM 268 CD2 LEU A 18 -21.688 3.833 -11.708 1.00 0.00 C ATOM 0 H LEU A 18 -21.629 3.528 -7.873 1.00 0.00 H new ATOM 0 HA LEU A 18 -22.466 1.868 -10.017 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -19.707 2.701 -9.130 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -20.110 1.893 -10.632 1.00 0.00 H new ATOM 0 HG LEU A 18 -20.993 4.663 -9.813 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -19.551 5.515 -11.607 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -18.632 4.690 -10.326 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -18.928 3.870 -11.878 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -21.815 4.797 -12.200 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -21.342 3.098 -12.434 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -22.642 3.510 -11.291 1.00 0.00 H new ATOM 280 N PHE A 19 -21.010 0.591 -7.346 1.00 0.00 N ATOM 281 CA PHE A 19 -20.747 -0.666 -6.716 1.00 0.00 C ATOM 282 C PHE A 19 -22.004 -1.253 -6.171 1.00 0.00 C ATOM 283 O PHE A 19 -22.128 -2.476 -6.151 1.00 0.00 O ATOM 284 CB PHE A 19 -19.594 -0.622 -5.699 1.00 0.00 C ATOM 285 CG PHE A 19 -18.333 -0.068 -6.266 1.00 0.00 C ATOM 286 CD1 PHE A 19 -17.747 -0.477 -7.441 1.00 0.00 C ATOM 287 CD2 PHE A 19 -17.775 1.058 -5.710 1.00 0.00 C ATOM 288 CE1 PHE A 19 -16.654 0.154 -7.986 1.00 0.00 C ATOM 289 CE2 PHE A 19 -16.656 1.698 -6.189 1.00 0.00 C ATOM 290 CZ PHE A 19 -16.101 1.250 -7.365 1.00 0.00 C ATOM 0 H PHE A 19 -20.874 1.403 -6.744 1.00 0.00 H new ATOM 0 HA PHE A 19 -20.381 -1.342 -7.489 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -19.896 -0.019 -4.843 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -19.406 -1.630 -5.328 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -18.163 -1.330 -7.957 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -18.250 1.471 -4.832 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -16.227 -0.213 -8.908 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -16.224 2.531 -5.655 1.00 0.00 H new ATOM 0 HZ PHE A 19 -15.245 1.750 -7.794 1.00 0.00 H new ATOM 300 N ASP A 20 -22.952 -0.458 -5.644 1.00 0.00 N ATOM 301 CA ASP A 20 -24.208 -0.940 -5.157 1.00 0.00 C ATOM 302 C ASP A 20 -25.040 -1.442 -6.286 1.00 0.00 C ATOM 303 O ASP A 20 -25.323 -0.780 -7.283 1.00 0.00 O ATOM 304 CB ASP A 20 -24.909 0.111 -4.280 1.00 0.00 C ATOM 305 CG ASP A 20 -26.086 -0.428 -3.481 1.00 0.00 C ATOM 306 OD1 ASP A 20 -26.368 -1.656 -3.507 1.00 0.00 O ATOM 307 OD2 ASP A 20 -26.759 0.367 -2.773 1.00 0.00 O ATOM 0 H ASP A 20 -22.842 0.552 -5.554 1.00 0.00 H new ATOM 0 HA ASP A 20 -24.038 -1.792 -4.499 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -24.180 0.536 -3.590 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -25.258 0.924 -4.916 1.00 0.00 H new ATOM 312 N LYS A 21 -25.460 -2.712 -6.149 1.00 0.00 N ATOM 313 CA LYS A 21 -26.232 -3.443 -7.106 1.00 0.00 C ATOM 314 C LYS A 21 -27.703 -3.320 -6.906 1.00 0.00 C ATOM 315 O LYS A 21 -28.491 -3.038 -7.807 1.00 0.00 O ATOM 316 CB LYS A 21 -25.912 -4.947 -7.047 1.00 0.00 C ATOM 317 CG LYS A 21 -26.608 -5.864 -8.055 1.00 0.00 C ATOM 318 CD LYS A 21 -26.285 -7.355 -7.931 1.00 0.00 C ATOM 319 CE LYS A 21 -26.893 -8.185 -9.064 1.00 0.00 C ATOM 320 NZ LYS A 21 -26.542 -9.604 -8.837 1.00 0.00 N ATOM 0 H LYS A 21 -25.247 -3.263 -5.317 1.00 0.00 H new ATOM 0 HA LYS A 21 -25.958 -3.005 -8.066 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -24.836 -5.066 -7.173 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -26.157 -5.303 -6.046 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -27.685 -5.735 -7.952 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -26.342 -5.536 -9.060 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -25.203 -7.490 -7.927 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -26.656 -7.725 -6.975 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -27.976 -8.060 -9.088 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -26.512 -7.849 -10.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -26.946 -10.187 -9.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -25.507 -9.709 -8.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -26.925 -9.914 -7.921 1.00 0.00 H new ATOM 334 N ASP A 22 -28.235 -3.582 -5.698 1.00 0.00 N ATOM 335 CA ASP A 22 -29.608 -3.517 -5.303 1.00 0.00 C ATOM 336 C ASP A 22 -30.095 -2.110 -5.357 1.00 0.00 C ATOM 337 O ASP A 22 -31.213 -1.878 -5.815 1.00 0.00 O ATOM 338 CB ASP A 22 -29.925 -4.274 -4.003 1.00 0.00 C ATOM 339 CG ASP A 22 -28.941 -5.370 -3.619 1.00 0.00 C ATOM 340 OD1 ASP A 22 -27.767 -5.058 -3.286 1.00 0.00 O ATOM 341 OD2 ASP A 22 -29.280 -6.582 -3.564 1.00 0.00 O ATOM 0 H ASP A 22 -27.640 -3.868 -4.921 1.00 0.00 H new ATOM 0 HA ASP A 22 -30.193 -4.074 -6.034 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -29.973 -3.553 -3.187 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -30.916 -4.718 -4.095 1.00 0.00 H new ATOM 346 N GLY A 23 -29.221 -1.224 -4.847 1.00 0.00 N ATOM 347 CA GLY A 23 -29.551 0.168 -4.826 1.00 0.00 C ATOM 348 C GLY A 23 -30.036 0.707 -3.524 1.00 0.00 C ATOM 349 O GLY A 23 -30.734 1.715 -3.430 1.00 0.00 O ATOM 0 H GLY A 23 -28.308 -1.462 -4.458 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -28.669 0.734 -5.125 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -30.317 0.350 -5.580 1.00 0.00 H new ATOM 353 N ASP A 24 -29.698 -0.001 -2.431 1.00 0.00 N ATOM 354 CA ASP A 24 -30.263 0.246 -1.140 1.00 0.00 C ATOM 355 C ASP A 24 -29.471 1.197 -0.309 1.00 0.00 C ATOM 356 O ASP A 24 -29.935 1.742 0.691 1.00 0.00 O ATOM 357 CB ASP A 24 -30.370 -1.133 -0.469 1.00 0.00 C ATOM 358 CG ASP A 24 -29.034 -1.861 -0.440 1.00 0.00 C ATOM 359 OD1 ASP A 24 -28.641 -2.433 -1.492 1.00 0.00 O ATOM 360 OD2 ASP A 24 -28.305 -1.762 0.583 1.00 0.00 O ATOM 0 H ASP A 24 -29.018 -0.761 -2.444 1.00 0.00 H new ATOM 0 HA ASP A 24 -31.232 0.734 -1.244 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -30.739 -1.012 0.550 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -31.101 -1.740 -1.003 1.00 0.00 H new ATOM 365 N GLY A 25 -28.247 1.491 -0.782 1.00 0.00 N ATOM 366 CA GLY A 25 -27.328 2.361 -0.116 1.00 0.00 C ATOM 367 C GLY A 25 -26.290 1.736 0.752 1.00 0.00 C ATOM 368 O GLY A 25 -25.464 2.463 1.300 1.00 0.00 O ATOM 0 H GLY A 25 -27.885 1.111 -1.657 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -26.818 2.955 -0.875 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -27.905 3.054 0.496 1.00 0.00 H new ATOM 372 N THR A 26 -26.283 0.394 0.832 1.00 0.00 N ATOM 373 CA THR A 26 -25.343 -0.419 1.540 1.00 0.00 C ATOM 374 C THR A 26 -24.722 -1.398 0.604 1.00 0.00 C ATOM 375 O THR A 26 -25.361 -1.803 -0.366 1.00 0.00 O ATOM 376 CB THR A 26 -25.741 -1.187 2.766 1.00 0.00 C ATOM 377 OG1 THR A 26 -26.570 -2.298 2.460 1.00 0.00 O ATOM 378 CG2 THR A 26 -26.475 -0.268 3.758 1.00 0.00 C ATOM 0 H THR A 26 -26.994 -0.167 0.363 1.00 0.00 H new ATOM 0 HA THR A 26 -24.689 0.358 1.936 1.00 0.00 H new ATOM 0 HB THR A 26 -24.822 -1.564 3.214 1.00 0.00 H new ATOM 0 HG1 THR A 26 -27.043 -2.131 1.618 1.00 0.00 H new ATOM 0 HG21 THR A 26 -26.758 -0.839 4.642 1.00 0.00 H new ATOM 0 HG22 THR A 26 -25.818 0.551 4.050 1.00 0.00 H new ATOM 0 HG23 THR A 26 -27.370 0.136 3.286 1.00 0.00 H new ATOM 386 N ILE A 27 -23.448 -1.791 0.778 1.00 0.00 N ATOM 387 CA ILE A 27 -22.689 -2.712 -0.011 1.00 0.00 C ATOM 388 C ILE A 27 -22.310 -3.824 0.905 1.00 0.00 C ATOM 389 O ILE A 27 -21.810 -3.606 2.007 1.00 0.00 O ATOM 390 CB ILE A 27 -21.508 -2.201 -0.782 1.00 0.00 C ATOM 391 CG1 ILE A 27 -20.601 -1.415 0.179 1.00 0.00 C ATOM 392 CG2 ILE A 27 -21.931 -1.329 -1.976 1.00 0.00 C ATOM 393 CD1 ILE A 27 -19.163 -1.256 -0.314 1.00 0.00 C ATOM 0 H ILE A 27 -22.894 -1.424 1.552 1.00 0.00 H new ATOM 0 HA ILE A 27 -23.335 -3.013 -0.836 1.00 0.00 H new ATOM 0 HB ILE A 27 -20.965 -3.049 -1.199 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -21.030 -0.426 0.340 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -20.589 -1.919 1.145 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -21.044 -0.981 -2.505 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -22.551 -1.916 -2.654 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -22.499 -0.471 -1.617 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -18.587 -0.691 0.419 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -18.713 -2.240 -0.448 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -19.161 -0.724 -1.265 1.00 0.00 H new ATOM 405 N THR A 28 -22.571 -5.057 0.435 1.00 0.00 N ATOM 406 CA THR A 28 -22.323 -6.302 1.093 1.00 0.00 C ATOM 407 C THR A 28 -21.079 -6.964 0.610 1.00 0.00 C ATOM 408 O THR A 28 -20.444 -6.569 -0.367 1.00 0.00 O ATOM 409 CB THR A 28 -23.413 -7.268 0.732 1.00 0.00 C ATOM 410 OG1 THR A 28 -23.651 -7.468 -0.654 1.00 0.00 O ATOM 411 CG2 THR A 28 -24.779 -6.693 1.143 1.00 0.00 C ATOM 0 H THR A 28 -22.992 -5.192 -0.484 1.00 0.00 H new ATOM 0 HA THR A 28 -22.256 -6.076 2.157 1.00 0.00 H new ATOM 0 HB THR A 28 -23.070 -8.181 1.219 1.00 0.00 H new ATOM 0 HG1 THR A 28 -24.055 -6.661 -1.036 1.00 0.00 H new ATOM 0 HG21 THR A 28 -25.566 -7.399 0.878 1.00 0.00 H new ATOM 0 HG22 THR A 28 -24.793 -6.522 2.219 1.00 0.00 H new ATOM 0 HG23 THR A 28 -24.948 -5.750 0.623 1.00 0.00 H new ATOM 419 N THR A 29 -20.684 -8.053 1.293 1.00 0.00 N ATOM 420 CA THR A 29 -19.656 -8.975 0.921 1.00 0.00 C ATOM 421 C THR A 29 -19.654 -9.505 -0.472 1.00 0.00 C ATOM 422 O THR A 29 -18.631 -9.754 -1.108 1.00 0.00 O ATOM 423 CB THR A 29 -19.541 -10.205 1.771 1.00 0.00 C ATOM 424 OG1 THR A 29 -20.130 -10.121 3.061 1.00 0.00 O ATOM 425 CG2 THR A 29 -18.043 -10.432 2.036 1.00 0.00 C ATOM 0 H THR A 29 -21.121 -8.308 2.179 1.00 0.00 H new ATOM 0 HA THR A 29 -18.824 -8.285 1.061 1.00 0.00 H new ATOM 0 HB THR A 29 -20.059 -10.990 1.220 1.00 0.00 H new ATOM 0 HG1 THR A 29 -20.578 -10.967 3.272 1.00 0.00 H new ATOM 0 HG21 THR A 29 -17.913 -11.321 2.654 1.00 0.00 H new ATOM 0 HG22 THR A 29 -17.523 -10.570 1.088 1.00 0.00 H new ATOM 0 HG23 THR A 29 -17.630 -9.567 2.554 1.00 0.00 H new ATOM 433 N LYS A 30 -20.848 -9.534 -1.090 1.00 0.00 N ATOM 434 CA LYS A 30 -21.043 -9.847 -2.472 1.00 0.00 C ATOM 435 C LYS A 30 -20.523 -8.825 -3.422 1.00 0.00 C ATOM 436 O LYS A 30 -19.766 -9.161 -4.332 1.00 0.00 O ATOM 437 CB LYS A 30 -22.537 -10.109 -2.731 1.00 0.00 C ATOM 438 CG LYS A 30 -23.258 -10.965 -1.688 1.00 0.00 C ATOM 439 CD LYS A 30 -24.691 -11.300 -2.105 1.00 0.00 C ATOM 440 CE LYS A 30 -25.592 -10.108 -2.436 1.00 0.00 C ATOM 441 NZ LYS A 30 -25.840 -9.341 -1.195 1.00 0.00 N ATOM 0 H LYS A 30 -21.720 -9.329 -0.602 1.00 0.00 H new ATOM 0 HA LYS A 30 -20.452 -10.742 -2.667 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -23.048 -9.148 -2.800 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -22.638 -10.593 -3.702 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -22.702 -11.889 -1.532 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -23.273 -10.437 -0.735 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -24.651 -11.952 -2.977 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -25.158 -11.870 -1.302 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -25.118 -9.473 -3.184 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -26.534 -10.453 -2.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -26.726 -8.805 -1.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -25.916 -9.996 -0.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -25.053 -8.682 -1.031 1.00 0.00 H new ATOM 455 N GLU A 31 -20.909 -7.581 -3.086 1.00 0.00 N ATOM 456 CA GLU A 31 -20.623 -6.365 -3.781 1.00 0.00 C ATOM 457 C GLU A 31 -19.222 -5.869 -3.666 1.00 0.00 C ATOM 458 O GLU A 31 -18.663 -5.334 -4.622 1.00 0.00 O ATOM 459 CB GLU A 31 -21.682 -5.344 -3.333 1.00 0.00 C ATOM 460 CG GLU A 31 -23.123 -5.799 -3.573 1.00 0.00 C ATOM 461 CD GLU A 31 -24.229 -4.896 -3.047 1.00 0.00 C ATOM 462 OE1 GLU A 31 -24.427 -4.952 -1.803 1.00 0.00 O ATOM 463 OE2 GLU A 31 -24.909 -4.114 -3.763 1.00 0.00 O ATOM 0 H GLU A 31 -21.472 -7.414 -2.252 1.00 0.00 H new ATOM 0 HA GLU A 31 -20.687 -6.548 -4.854 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -21.548 -5.139 -2.271 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -21.515 -4.406 -3.862 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -23.266 -5.919 -4.647 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -23.247 -6.784 -3.123 1.00 0.00 H new ATOM 470 N LEU A 32 -18.564 -6.278 -2.566 1.00 0.00 N ATOM 471 CA LEU A 32 -17.137 -6.184 -2.547 1.00 0.00 C ATOM 472 C LEU A 32 -16.419 -7.230 -3.328 1.00 0.00 C ATOM 473 O LEU A 32 -15.388 -6.930 -3.928 1.00 0.00 O ATOM 474 CB LEU A 32 -16.676 -6.379 -1.093 1.00 0.00 C ATOM 475 CG LEU A 32 -16.547 -5.165 -0.157 1.00 0.00 C ATOM 476 CD1 LEU A 32 -17.990 -4.733 0.154 1.00 0.00 C ATOM 477 CD2 LEU A 32 -15.801 -5.575 1.123 1.00 0.00 C ATOM 0 H LEU A 32 -18.996 -6.658 -1.724 1.00 0.00 H new ATOM 0 HA LEU A 32 -16.903 -5.215 -2.989 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -17.369 -7.077 -0.624 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -15.703 -6.869 -1.125 1.00 0.00 H new ATOM 0 HG LEU A 32 -15.982 -4.349 -0.606 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -17.976 -3.869 0.819 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -18.499 -4.469 -0.773 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -18.520 -5.554 0.637 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -15.711 -4.713 1.784 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -16.355 -6.365 1.630 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -14.807 -5.939 0.864 1.00 0.00 H new ATOM 489 N GLY A 33 -17.045 -8.407 -3.504 1.00 0.00 N ATOM 490 CA GLY A 33 -16.602 -9.487 -4.329 1.00 0.00 C ATOM 491 C GLY A 33 -16.541 -8.994 -5.734 1.00 0.00 C ATOM 492 O GLY A 33 -15.497 -9.119 -6.372 1.00 0.00 O ATOM 0 H GLY A 33 -17.926 -8.618 -3.034 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -15.622 -9.838 -4.005 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -17.285 -10.332 -4.251 1.00 0.00 H new ATOM 496 N THR A 34 -17.585 -8.290 -6.205 1.00 0.00 N ATOM 497 CA THR A 34 -17.646 -7.806 -7.549 1.00 0.00 C ATOM 498 C THR A 34 -16.678 -6.716 -7.858 1.00 0.00 C ATOM 499 O THR A 34 -16.045 -6.815 -8.909 1.00 0.00 O ATOM 500 CB THR A 34 -19.043 -7.374 -7.882 1.00 0.00 C ATOM 501 OG1 THR A 34 -19.896 -8.489 -7.672 1.00 0.00 O ATOM 502 CG2 THR A 34 -19.348 -7.129 -9.369 1.00 0.00 C ATOM 0 H THR A 34 -18.402 -8.052 -5.642 1.00 0.00 H new ATOM 0 HA THR A 34 -17.351 -8.646 -8.178 1.00 0.00 H new ATOM 0 HB THR A 34 -19.174 -6.468 -7.290 1.00 0.00 H new ATOM 0 HG1 THR A 34 -20.820 -8.238 -7.880 1.00 0.00 H new ATOM 0 HG21 THR A 34 -20.388 -6.822 -9.481 1.00 0.00 H new ATOM 0 HG22 THR A 34 -18.695 -6.344 -9.750 1.00 0.00 H new ATOM 0 HG23 THR A 34 -19.178 -8.047 -9.931 1.00 0.00 H new ATOM 510 N VAL A 35 -16.346 -5.827 -6.905 1.00 0.00 N ATOM 511 CA VAL A 35 -15.278 -4.906 -7.138 1.00 0.00 C ATOM 512 C VAL A 35 -13.978 -5.600 -7.361 1.00 0.00 C ATOM 513 O VAL A 35 -13.348 -5.266 -8.363 1.00 0.00 O ATOM 514 CB VAL A 35 -14.971 -3.981 -5.997 1.00 0.00 C ATOM 515 CG1 VAL A 35 -13.885 -2.945 -6.333 1.00 0.00 C ATOM 516 CG2 VAL A 35 -16.185 -3.232 -5.422 1.00 0.00 C ATOM 0 H VAL A 35 -16.803 -5.746 -5.997 1.00 0.00 H new ATOM 0 HA VAL A 35 -15.646 -4.354 -8.003 1.00 0.00 H new ATOM 0 HB VAL A 35 -14.607 -4.668 -5.233 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -13.710 -2.307 -5.467 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -12.961 -3.459 -6.598 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -14.213 -2.333 -7.173 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -15.862 -2.589 -4.603 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -16.640 -2.623 -6.203 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -16.915 -3.952 -5.052 1.00 0.00 H new ATOM 526 N MET A 36 -13.625 -6.598 -6.531 1.00 0.00 N ATOM 527 CA MET A 36 -12.361 -7.251 -6.682 1.00 0.00 C ATOM 528 C MET A 36 -12.304 -8.020 -7.956 1.00 0.00 C ATOM 529 O MET A 36 -11.268 -8.103 -8.613 1.00 0.00 O ATOM 530 CB MET A 36 -12.090 -8.264 -5.557 1.00 0.00 C ATOM 531 CG MET A 36 -11.711 -7.760 -4.163 1.00 0.00 C ATOM 532 SD MET A 36 -10.414 -6.494 -4.021 1.00 0.00 S ATOM 533 CE MET A 36 -8.996 -7.627 -3.952 1.00 0.00 C ATOM 0 H MET A 36 -14.203 -6.949 -5.767 1.00 0.00 H new ATOM 0 HA MET A 36 -11.618 -6.453 -6.662 1.00 0.00 H new ATOM 0 HB2 MET A 36 -12.983 -8.879 -5.450 1.00 0.00 H new ATOM 0 HB3 MET A 36 -11.289 -8.921 -5.895 1.00 0.00 H new ATOM 0 HG2 MET A 36 -12.613 -7.364 -3.697 1.00 0.00 H new ATOM 0 HG3 MET A 36 -11.399 -8.622 -3.572 1.00 0.00 H new ATOM 0 HE1 MET A 36 -8.075 -7.052 -3.862 1.00 0.00 H new ATOM 0 HE2 MET A 36 -9.098 -8.286 -3.089 1.00 0.00 H new ATOM 0 HE3 MET A 36 -8.963 -8.225 -4.863 1.00 0.00 H new ATOM 543 N ARG A 37 -13.425 -8.669 -8.321 1.00 0.00 N ATOM 544 CA ARG A 37 -13.557 -9.381 -9.554 1.00 0.00 C ATOM 545 C ARG A 37 -13.429 -8.543 -10.779 1.00 0.00 C ATOM 546 O ARG A 37 -12.816 -8.993 -11.746 1.00 0.00 O ATOM 547 CB ARG A 37 -14.864 -10.187 -9.635 1.00 0.00 C ATOM 548 CG ARG A 37 -14.678 -11.684 -9.384 1.00 0.00 C ATOM 549 CD ARG A 37 -14.290 -12.084 -7.959 1.00 0.00 C ATOM 550 NE ARG A 37 -15.528 -12.399 -7.192 1.00 0.00 N ATOM 551 CZ ARG A 37 -15.882 -13.664 -6.822 1.00 0.00 C ATOM 552 NH1 ARG A 37 -15.188 -14.825 -7.005 1.00 0.00 N ATOM 553 NH2 ARG A 37 -16.992 -13.748 -6.032 1.00 0.00 N ATOM 0 H ARG A 37 -14.264 -8.699 -7.741 1.00 0.00 H new ATOM 0 HA ARG A 37 -12.705 -10.061 -9.538 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -15.571 -9.790 -8.907 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -15.308 -10.045 -10.620 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -15.606 -12.193 -9.643 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -13.911 -12.054 -10.065 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -13.628 -12.949 -7.978 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -13.743 -11.274 -7.476 1.00 0.00 H new ATOM 0 HE ARG A 37 -16.143 -11.629 -6.930 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -14.281 -14.809 -7.472 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -15.576 -15.709 -6.674 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -17.491 -12.900 -5.761 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -17.323 -14.658 -5.712 1.00 0.00 H new ATOM 567 N SER A 38 -13.842 -7.263 -10.803 1.00 0.00 N ATOM 568 CA SER A 38 -13.485 -6.235 -11.730 1.00 0.00 C ATOM 569 C SER A 38 -12.058 -5.807 -11.754 1.00 0.00 C ATOM 570 O SER A 38 -11.545 -5.437 -12.808 1.00 0.00 O ATOM 571 CB SER A 38 -14.416 -5.012 -11.688 1.00 0.00 C ATOM 572 OG SER A 38 -15.690 -5.372 -12.202 1.00 0.00 O ATOM 0 H SER A 38 -14.493 -6.916 -10.099 1.00 0.00 H new ATOM 0 HA SER A 38 -13.632 -6.756 -12.676 1.00 0.00 H new ATOM 0 HB2 SER A 38 -14.513 -4.650 -10.664 1.00 0.00 H new ATOM 0 HB3 SER A 38 -13.992 -4.198 -12.275 1.00 0.00 H new ATOM 0 HG SER A 38 -16.286 -4.594 -12.174 1.00 0.00 H new ATOM 578 N LEU A 39 -11.337 -6.014 -10.637 1.00 0.00 N ATOM 579 CA LEU A 39 -9.923 -5.809 -10.573 1.00 0.00 C ATOM 580 C LEU A 39 -9.119 -7.038 -10.826 1.00 0.00 C ATOM 581 O LEU A 39 -7.908 -7.162 -10.651 1.00 0.00 O ATOM 582 CB LEU A 39 -9.568 -5.135 -9.238 1.00 0.00 C ATOM 583 CG LEU A 39 -10.125 -3.730 -8.951 1.00 0.00 C ATOM 584 CD1 LEU A 39 -9.740 -3.415 -7.496 1.00 0.00 C ATOM 585 CD2 LEU A 39 -9.638 -2.612 -9.888 1.00 0.00 C ATOM 0 H LEU A 39 -11.746 -6.331 -9.758 1.00 0.00 H new ATOM 0 HA LEU A 39 -9.649 -5.145 -11.393 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -9.902 -5.793 -8.436 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.481 -5.080 -9.174 1.00 0.00 H new ATOM 0 HG LEU A 39 -11.201 -3.751 -9.125 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -10.109 -2.425 -7.228 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -10.183 -4.158 -6.833 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -8.655 -3.438 -7.394 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -10.094 -1.666 -9.594 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -8.553 -2.528 -9.822 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -9.922 -2.848 -10.914 1.00 0.00 H new ATOM 597 N GLY A 40 -9.839 -8.059 -11.325 1.00 0.00 N ATOM 598 CA GLY A 40 -9.170 -9.214 -11.840 1.00 0.00 C ATOM 599 C GLY A 40 -8.702 -10.183 -10.809 1.00 0.00 C ATOM 600 O GLY A 40 -7.987 -11.119 -11.165 1.00 0.00 O ATOM 0 H GLY A 40 -10.858 -8.087 -11.372 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -9.844 -9.731 -12.523 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -8.311 -8.887 -12.426 1.00 0.00 H new ATOM 604 N GLN A 41 -9.136 -9.915 -9.565 1.00 0.00 N ATOM 605 CA GLN A 41 -8.713 -10.720 -8.462 1.00 0.00 C ATOM 606 C GLN A 41 -9.696 -11.730 -7.978 1.00 0.00 C ATOM 607 O GLN A 41 -10.905 -11.709 -8.207 1.00 0.00 O ATOM 608 CB GLN A 41 -8.445 -9.839 -7.231 1.00 0.00 C ATOM 609 CG GLN A 41 -7.404 -8.739 -7.450 1.00 0.00 C ATOM 610 CD GLN A 41 -6.063 -9.224 -7.983 1.00 0.00 C ATOM 611 OE1 GLN A 41 -5.200 -9.737 -7.272 1.00 0.00 O ATOM 612 NE2 GLN A 41 -5.890 -9.012 -9.315 1.00 0.00 N ATOM 0 H GLN A 41 -9.770 -9.153 -9.325 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.837 -11.234 -8.859 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -9.382 -9.378 -6.920 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -8.115 -10.475 -6.410 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -7.812 -8.006 -8.146 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -7.238 -8.223 -6.505 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -6.635 -8.583 -9.864 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -5.015 -9.282 -9.765 1.00 0.00 H new ATOM 621 N ASN A 42 -9.192 -12.649 -7.135 1.00 0.00 N ATOM 622 CA ASN A 42 -9.979 -13.750 -6.674 1.00 0.00 C ATOM 623 C ASN A 42 -10.161 -13.910 -5.204 1.00 0.00 C ATOM 624 O ASN A 42 -9.464 -14.669 -4.533 1.00 0.00 O ATOM 625 CB ASN A 42 -9.297 -14.999 -7.256 1.00 0.00 C ATOM 626 CG ASN A 42 -9.172 -14.849 -8.766 1.00 0.00 C ATOM 627 OD1 ASN A 42 -10.196 -14.674 -9.425 1.00 0.00 O ATOM 628 ND2 ASN A 42 -7.891 -14.913 -9.219 1.00 0.00 N ATOM 0 H ASN A 42 -8.239 -12.629 -6.773 1.00 0.00 H new ATOM 0 HA ASN A 42 -11.001 -13.574 -7.009 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -8.311 -15.130 -6.810 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -9.877 -15.890 -7.015 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -7.697 -14.810 -10.215 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -7.125 -15.064 -8.563 1.00 0.00 H new ATOM 635 N PRO A 43 -11.070 -13.220 -4.581 1.00 0.00 N ATOM 636 CA PRO A 43 -11.320 -13.314 -3.172 1.00 0.00 C ATOM 637 C PRO A 43 -12.119 -14.496 -2.741 1.00 0.00 C ATOM 638 O PRO A 43 -12.738 -15.153 -3.577 1.00 0.00 O ATOM 639 CB PRO A 43 -12.111 -12.057 -2.817 1.00 0.00 C ATOM 640 CG PRO A 43 -12.840 -11.725 -4.128 1.00 0.00 C ATOM 641 CD PRO A 43 -11.715 -12.036 -5.128 1.00 0.00 C ATOM 0 HA PRO A 43 -10.359 -13.418 -2.669 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -12.811 -12.238 -2.001 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -11.457 -11.244 -2.502 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -13.723 -12.344 -4.285 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -13.167 -10.686 -4.174 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -12.110 -12.223 -6.127 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -11.016 -11.204 -5.212 1.00 0.00 H new ATOM 649 N THR A 44 -12.157 -14.710 -1.414 1.00 0.00 N ATOM 650 CA THR A 44 -13.074 -15.565 -0.728 1.00 0.00 C ATOM 651 C THR A 44 -13.835 -14.720 0.235 1.00 0.00 C ATOM 652 O THR A 44 -13.492 -13.578 0.537 1.00 0.00 O ATOM 653 CB THR A 44 -12.453 -16.699 0.032 1.00 0.00 C ATOM 654 OG1 THR A 44 -11.352 -16.202 0.778 1.00 0.00 O ATOM 655 CG2 THR A 44 -11.918 -17.825 -0.869 1.00 0.00 C ATOM 0 H THR A 44 -11.502 -14.254 -0.778 1.00 0.00 H new ATOM 0 HA THR A 44 -13.694 -16.031 -1.494 1.00 0.00 H new ATOM 0 HB THR A 44 -13.240 -17.114 0.661 1.00 0.00 H new ATOM 0 HG1 THR A 44 -10.939 -16.935 1.280 1.00 0.00 H new ATOM 0 HG21 THR A 44 -11.483 -18.610 -0.251 1.00 0.00 H new ATOM 0 HG22 THR A 44 -12.736 -18.239 -1.459 1.00 0.00 H new ATOM 0 HG23 THR A 44 -11.155 -17.425 -1.537 1.00 0.00 H new ATOM 663 N GLU A 45 -14.953 -15.290 0.718 1.00 0.00 N ATOM 664 CA GLU A 45 -15.947 -14.727 1.579 1.00 0.00 C ATOM 665 C GLU A 45 -15.442 -14.331 2.924 1.00 0.00 C ATOM 666 O GLU A 45 -15.586 -13.152 3.246 1.00 0.00 O ATOM 667 CB GLU A 45 -17.158 -15.662 1.736 1.00 0.00 C ATOM 668 CG GLU A 45 -17.988 -15.787 0.457 1.00 0.00 C ATOM 669 CD GLU A 45 -18.852 -17.038 0.518 1.00 0.00 C ATOM 670 OE1 GLU A 45 -18.381 -18.150 0.159 1.00 0.00 O ATOM 671 OE2 GLU A 45 -20.018 -16.855 0.959 1.00 0.00 O ATOM 0 H GLU A 45 -15.183 -16.254 0.476 1.00 0.00 H new ATOM 0 HA GLU A 45 -16.254 -13.810 1.077 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -16.810 -16.651 2.034 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -17.794 -15.292 2.540 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -18.618 -14.906 0.335 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -17.330 -15.831 -0.411 1.00 0.00 H new ATOM 678 N ALA A 46 -14.720 -15.164 3.694 1.00 0.00 N ATOM 679 CA ALA A 46 -14.256 -14.812 4.999 1.00 0.00 C ATOM 680 C ALA A 46 -13.103 -13.871 5.083 1.00 0.00 C ATOM 681 O ALA A 46 -12.994 -13.035 5.979 1.00 0.00 O ATOM 682 CB ALA A 46 -14.010 -16.217 5.576 1.00 0.00 C ATOM 0 H ALA A 46 -14.453 -16.104 3.403 1.00 0.00 H new ATOM 0 HA ALA A 46 -14.963 -14.199 5.558 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -13.642 -16.131 6.598 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -14.943 -16.780 5.573 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -13.271 -16.736 4.966 1.00 0.00 H new ATOM 688 N GLU A 47 -12.193 -13.995 4.101 1.00 0.00 N ATOM 689 CA GLU A 47 -11.157 -13.012 4.022 1.00 0.00 C ATOM 690 C GLU A 47 -11.730 -11.654 3.800 1.00 0.00 C ATOM 691 O GLU A 47 -11.211 -10.680 4.343 1.00 0.00 O ATOM 692 CB GLU A 47 -10.223 -13.309 2.837 1.00 0.00 C ATOM 693 CG GLU A 47 -9.168 -14.362 3.184 1.00 0.00 C ATOM 694 CD GLU A 47 -8.048 -14.197 2.166 1.00 0.00 C ATOM 695 OE1 GLU A 47 -7.518 -13.064 2.015 1.00 0.00 O ATOM 696 OE2 GLU A 47 -7.578 -15.236 1.631 1.00 0.00 O ATOM 0 H GLU A 47 -12.169 -14.733 3.397 1.00 0.00 H new ATOM 0 HA GLU A 47 -10.610 -13.045 4.964 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -10.814 -13.654 1.988 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.728 -12.389 2.527 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -8.795 -14.219 4.198 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.591 -15.366 3.138 1.00 0.00 H new ATOM 703 N LEU A 48 -12.845 -11.517 3.061 1.00 0.00 N ATOM 704 CA LEU A 48 -13.469 -10.244 2.877 1.00 0.00 C ATOM 705 C LEU A 48 -14.128 -9.821 4.145 1.00 0.00 C ATOM 706 O LEU A 48 -13.937 -8.704 4.622 1.00 0.00 O ATOM 707 CB LEU A 48 -14.434 -10.185 1.681 1.00 0.00 C ATOM 708 CG LEU A 48 -13.764 -10.193 0.296 1.00 0.00 C ATOM 709 CD1 LEU A 48 -14.867 -10.127 -0.774 1.00 0.00 C ATOM 710 CD2 LEU A 48 -12.675 -9.181 -0.098 1.00 0.00 C ATOM 0 H LEU A 48 -13.315 -12.290 2.590 1.00 0.00 H new ATOM 0 HA LEU A 48 -12.680 -9.536 2.625 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -15.115 -11.034 1.742 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -15.040 -9.283 1.768 1.00 0.00 H new ATOM 0 HG LEU A 48 -13.184 -11.114 0.363 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -14.413 -10.132 -1.765 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -15.525 -10.990 -0.672 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -15.446 -9.212 -0.644 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -12.349 -9.377 -1.120 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -13.077 -8.170 -0.033 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -11.826 -9.278 0.579 1.00 0.00 H new ATOM 722 N GLN A 49 -14.949 -10.696 4.753 1.00 0.00 N ATOM 723 CA GLN A 49 -15.919 -10.467 5.778 1.00 0.00 C ATOM 724 C GLN A 49 -15.301 -10.079 7.078 1.00 0.00 C ATOM 725 O GLN A 49 -15.849 -9.296 7.852 1.00 0.00 O ATOM 726 CB GLN A 49 -16.812 -11.707 5.953 1.00 0.00 C ATOM 727 CG GLN A 49 -17.934 -11.434 6.957 1.00 0.00 C ATOM 728 CD GLN A 49 -19.157 -12.225 6.515 1.00 0.00 C ATOM 729 OE1 GLN A 49 -19.216 -13.389 6.907 1.00 0.00 O ATOM 730 NE2 GLN A 49 -20.070 -11.617 5.712 1.00 0.00 N ATOM 0 H GLN A 49 -14.927 -11.682 4.491 1.00 0.00 H new ATOM 0 HA GLN A 49 -16.531 -9.624 5.457 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -17.240 -11.991 4.991 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -16.210 -12.549 6.295 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -17.629 -11.731 7.960 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -18.161 -10.369 6.995 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -19.939 -10.644 5.436 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -20.886 -12.134 5.385 1.00 0.00 H new ATOM 739 N ASP A 50 -14.035 -10.473 7.305 1.00 0.00 N ATOM 740 CA ASP A 50 -13.164 -10.019 8.344 1.00 0.00 C ATOM 741 C ASP A 50 -12.975 -8.541 8.334 1.00 0.00 C ATOM 742 O ASP A 50 -13.082 -7.930 9.396 1.00 0.00 O ATOM 743 CB ASP A 50 -11.883 -10.852 8.171 1.00 0.00 C ATOM 744 CG ASP A 50 -10.702 -10.477 9.054 1.00 0.00 C ATOM 745 OD1 ASP A 50 -10.029 -9.475 8.692 1.00 0.00 O ATOM 746 OD2 ASP A 50 -10.466 -11.216 10.047 1.00 0.00 O ATOM 0 H ASP A 50 -13.585 -11.168 6.710 1.00 0.00 H new ATOM 0 HA ASP A 50 -13.577 -10.175 9.340 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -12.129 -11.898 8.357 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -11.567 -10.779 7.130 1.00 0.00 H new ATOM 751 N MET A 51 -12.695 -7.951 7.159 1.00 0.00 N ATOM 752 CA MET A 51 -12.358 -6.575 6.965 1.00 0.00 C ATOM 753 C MET A 51 -13.561 -5.713 7.133 1.00 0.00 C ATOM 754 O MET A 51 -13.543 -4.634 7.723 1.00 0.00 O ATOM 755 CB MET A 51 -11.825 -6.181 5.577 1.00 0.00 C ATOM 756 CG MET A 51 -10.588 -6.951 5.109 1.00 0.00 C ATOM 757 SD MET A 51 -9.891 -6.401 3.522 1.00 0.00 S ATOM 758 CE MET A 51 -11.329 -6.384 2.414 1.00 0.00 C ATOM 0 H MET A 51 -12.705 -8.473 6.283 1.00 0.00 H new ATOM 0 HA MET A 51 -11.570 -6.431 7.704 1.00 0.00 H new ATOM 0 HB2 MET A 51 -12.621 -6.325 4.846 1.00 0.00 H new ATOM 0 HB3 MET A 51 -11.589 -5.117 5.585 1.00 0.00 H new ATOM 0 HG2 MET A 51 -9.817 -6.869 5.875 1.00 0.00 H new ATOM 0 HG3 MET A 51 -10.846 -8.007 5.028 1.00 0.00 H new ATOM 0 HE1 MET A 51 -10.998 -6.203 1.391 1.00 0.00 H new ATOM 0 HE2 MET A 51 -11.839 -7.346 2.465 1.00 0.00 H new ATOM 0 HE3 MET A 51 -12.014 -5.593 2.719 1.00 0.00 H new ATOM 768 N ILE A 52 -14.686 -6.230 6.607 1.00 0.00 N ATOM 769 CA ILE A 52 -15.979 -5.726 6.953 1.00 0.00 C ATOM 770 C ILE A 52 -16.203 -5.554 8.416 1.00 0.00 C ATOM 771 O ILE A 52 -16.445 -4.464 8.933 1.00 0.00 O ATOM 772 CB ILE A 52 -17.078 -6.422 6.207 1.00 0.00 C ATOM 773 CG1 ILE A 52 -16.991 -6.278 4.679 1.00 0.00 C ATOM 774 CG2 ILE A 52 -18.467 -6.038 6.744 1.00 0.00 C ATOM 775 CD1 ILE A 52 -17.937 -7.114 3.818 1.00 0.00 C ATOM 0 H ILE A 52 -14.700 -7.001 5.939 1.00 0.00 H new ATOM 0 HA ILE A 52 -16.010 -4.696 6.597 1.00 0.00 H new ATOM 0 HB ILE A 52 -16.928 -7.484 6.401 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -17.158 -5.229 4.434 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -15.970 -6.517 4.380 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -19.235 -6.564 6.176 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -18.540 -6.315 7.796 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -18.612 -4.963 6.641 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -17.754 -6.901 2.765 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -17.764 -8.173 4.010 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -18.969 -6.865 4.064 1.00 0.00 H new ATOM 787 N ASN A 53 -16.189 -6.680 9.152 1.00 0.00 N ATOM 788 CA ASN A 53 -16.700 -6.790 10.483 1.00 0.00 C ATOM 789 C ASN A 53 -15.747 -6.181 11.453 1.00 0.00 C ATOM 790 O ASN A 53 -16.043 -6.035 12.638 1.00 0.00 O ATOM 791 CB ASN A 53 -16.900 -8.264 10.876 1.00 0.00 C ATOM 792 CG ASN A 53 -18.173 -8.801 10.237 1.00 0.00 C ATOM 793 OD1 ASN A 53 -18.973 -8.005 9.748 1.00 0.00 O ATOM 794 ND2 ASN A 53 -18.523 -10.098 10.448 1.00 0.00 N ATOM 0 H ASN A 53 -15.802 -7.556 8.801 1.00 0.00 H new ATOM 0 HA ASN A 53 -17.657 -6.269 10.510 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -16.043 -8.855 10.553 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -16.960 -8.356 11.960 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -19.458 -10.421 10.200 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -17.850 -10.748 10.854 1.00 0.00 H new ATOM 801 N GLU A 54 -14.525 -5.825 11.019 1.00 0.00 N ATOM 802 CA GLU A 54 -13.664 -4.856 11.622 1.00 0.00 C ATOM 803 C GLU A 54 -14.199 -3.466 11.685 1.00 0.00 C ATOM 804 O GLU A 54 -14.194 -2.838 12.742 1.00 0.00 O ATOM 805 CB GLU A 54 -12.258 -4.841 10.999 1.00 0.00 C ATOM 806 CG GLU A 54 -11.255 -4.190 11.953 1.00 0.00 C ATOM 807 CD GLU A 54 -10.947 -4.955 13.232 1.00 0.00 C ATOM 808 OE1 GLU A 54 -10.201 -5.968 13.175 1.00 0.00 O ATOM 809 OE2 GLU A 54 -11.519 -4.559 14.283 1.00 0.00 O ATOM 0 H GLU A 54 -14.110 -6.245 10.187 1.00 0.00 H new ATOM 0 HA GLU A 54 -13.602 -5.204 12.653 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -11.944 -5.860 10.772 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -12.278 -4.296 10.055 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -10.321 -4.035 11.414 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -11.633 -3.205 12.226 1.00 0.00 H new ATOM 816 N VAL A 55 -14.666 -2.957 10.531 1.00 0.00 N ATOM 817 CA VAL A 55 -15.120 -1.604 10.451 1.00 0.00 C ATOM 818 C VAL A 55 -16.549 -1.473 10.852 1.00 0.00 C ATOM 819 O VAL A 55 -17.115 -0.413 11.113 1.00 0.00 O ATOM 820 CB VAL A 55 -14.887 -0.864 9.167 1.00 0.00 C ATOM 821 CG1 VAL A 55 -13.376 -0.808 8.885 1.00 0.00 C ATOM 822 CG2 VAL A 55 -15.525 -1.619 7.989 1.00 0.00 C ATOM 0 H VAL A 55 -14.729 -3.480 9.657 1.00 0.00 H new ATOM 0 HA VAL A 55 -14.464 -1.111 11.168 1.00 0.00 H new ATOM 0 HB VAL A 55 -15.320 0.132 9.265 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -13.199 -0.271 7.953 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -12.872 -0.291 9.702 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -12.984 -1.821 8.800 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -15.347 -1.069 7.065 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -15.083 -2.612 7.911 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -16.598 -1.712 8.155 1.00 0.00 H new ATOM 832 N ASP A 56 -17.279 -2.597 10.972 1.00 0.00 N ATOM 833 CA ASP A 56 -18.695 -2.502 11.141 1.00 0.00 C ATOM 834 C ASP A 56 -19.067 -2.514 12.584 1.00 0.00 C ATOM 835 O ASP A 56 -19.284 -3.469 13.329 1.00 0.00 O ATOM 836 CB ASP A 56 -19.306 -3.727 10.439 1.00 0.00 C ATOM 837 CG ASP A 56 -20.825 -3.647 10.494 1.00 0.00 C ATOM 838 OD1 ASP A 56 -21.401 -2.617 10.051 1.00 0.00 O ATOM 839 OD2 ASP A 56 -21.478 -4.655 10.873 1.00 0.00 O ATOM 0 H ASP A 56 -16.903 -3.545 10.953 1.00 0.00 H new ATOM 0 HA ASP A 56 -19.064 -1.568 10.718 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -18.972 -3.768 9.402 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -18.963 -4.643 10.921 1.00 0.00 H new ATOM 844 N ALA A 57 -19.154 -1.258 13.057 1.00 0.00 N ATOM 845 CA ALA A 57 -19.304 -0.977 14.451 1.00 0.00 C ATOM 846 C ALA A 57 -20.723 -1.100 14.886 1.00 0.00 C ATOM 847 O ALA A 57 -21.107 -1.090 16.054 1.00 0.00 O ATOM 848 CB ALA A 57 -18.659 0.353 14.877 1.00 0.00 C ATOM 0 H ALA A 57 -19.120 -0.428 12.466 1.00 0.00 H new ATOM 0 HA ALA A 57 -18.742 -1.745 14.983 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -18.810 0.504 15.946 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -17.591 0.325 14.661 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -19.119 1.173 14.326 1.00 0.00 H new ATOM 854 N ASP A 58 -21.610 -1.176 13.877 1.00 0.00 N ATOM 855 CA ASP A 58 -23.014 -1.405 14.016 1.00 0.00 C ATOM 856 C ASP A 58 -23.292 -2.767 14.553 1.00 0.00 C ATOM 857 O ASP A 58 -24.190 -2.982 15.365 1.00 0.00 O ATOM 858 CB ASP A 58 -23.749 -1.290 12.670 1.00 0.00 C ATOM 859 CG ASP A 58 -23.573 0.030 11.934 1.00 0.00 C ATOM 860 OD1 ASP A 58 -23.923 1.058 12.574 1.00 0.00 O ATOM 861 OD2 ASP A 58 -22.972 0.160 10.835 1.00 0.00 O ATOM 0 H ASP A 58 -21.327 -1.071 12.903 1.00 0.00 H new ATOM 0 HA ASP A 58 -23.372 -0.640 14.705 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -23.407 -2.096 12.020 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -24.813 -1.450 12.843 1.00 0.00 H new ATOM 866 N GLY A 59 -22.435 -3.711 14.125 1.00 0.00 N ATOM 867 CA GLY A 59 -22.770 -5.081 14.362 1.00 0.00 C ATOM 868 C GLY A 59 -23.801 -5.606 13.423 1.00 0.00 C ATOM 869 O GLY A 59 -24.680 -6.392 13.773 1.00 0.00 O ATOM 0 H GLY A 59 -21.554 -3.541 13.639 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -21.869 -5.688 14.278 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -23.132 -5.188 15.385 1.00 0.00 H new ATOM 873 N ASN A 60 -23.751 -5.094 12.180 1.00 0.00 N ATOM 874 CA ASN A 60 -24.761 -5.226 11.176 1.00 0.00 C ATOM 875 C ASN A 60 -24.363 -6.252 10.172 1.00 0.00 C ATOM 876 O ASN A 60 -25.034 -7.259 9.954 1.00 0.00 O ATOM 877 CB ASN A 60 -25.092 -3.874 10.523 1.00 0.00 C ATOM 878 CG ASN A 60 -26.312 -3.939 9.615 1.00 0.00 C ATOM 879 OD1 ASN A 60 -26.327 -3.870 8.387 1.00 0.00 O ATOM 880 ND2 ASN A 60 -27.531 -3.972 10.216 1.00 0.00 N ATOM 0 H ASN A 60 -22.951 -4.551 11.856 1.00 0.00 H new ATOM 0 HA ASN A 60 -25.678 -5.568 11.656 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -25.264 -3.132 11.303 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -24.232 -3.535 9.945 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -28.379 -3.940 9.651 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -27.597 -4.029 11.232 1.00 0.00 H new ATOM 887 N GLY A 61 -23.193 -6.076 9.531 1.00 0.00 N ATOM 888 CA GLY A 61 -22.691 -6.857 8.443 1.00 0.00 C ATOM 889 C GLY A 61 -22.353 -6.134 7.185 1.00 0.00 C ATOM 890 O GLY A 61 -21.453 -6.547 6.455 1.00 0.00 O ATOM 0 H GLY A 61 -22.550 -5.330 9.795 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -21.796 -7.377 8.785 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -23.432 -7.621 8.205 1.00 0.00 H new ATOM 894 N THR A 62 -23.072 -5.043 6.866 1.00 0.00 N ATOM 895 CA THR A 62 -22.847 -4.267 5.687 1.00 0.00 C ATOM 896 C THR A 62 -22.160 -2.958 5.874 1.00 0.00 C ATOM 897 O THR A 62 -22.061 -2.447 6.988 1.00 0.00 O ATOM 898 CB THR A 62 -24.150 -3.998 4.993 1.00 0.00 C ATOM 899 OG1 THR A 62 -24.957 -3.155 5.801 1.00 0.00 O ATOM 900 CG2 THR A 62 -24.817 -5.350 4.689 1.00 0.00 C ATOM 0 H THR A 62 -23.833 -4.690 7.446 1.00 0.00 H new ATOM 0 HA THR A 62 -22.168 -4.886 5.100 1.00 0.00 H new ATOM 0 HB THR A 62 -23.999 -3.473 4.050 1.00 0.00 H new ATOM 0 HG1 THR A 62 -25.298 -3.664 6.566 1.00 0.00 H new ATOM 0 HG21 THR A 62 -25.768 -5.181 4.184 1.00 0.00 H new ATOM 0 HG22 THR A 62 -24.165 -5.941 4.047 1.00 0.00 H new ATOM 0 HG23 THR A 62 -24.992 -5.887 5.621 1.00 0.00 H new ATOM 908 N ILE A 63 -21.612 -2.438 4.761 1.00 0.00 N ATOM 909 CA ILE A 63 -20.847 -1.230 4.746 1.00 0.00 C ATOM 910 C ILE A 63 -21.631 -0.147 4.089 1.00 0.00 C ATOM 911 O ILE A 63 -22.123 -0.224 2.964 1.00 0.00 O ATOM 912 CB ILE A 63 -19.454 -1.327 4.198 1.00 0.00 C ATOM 913 CG1 ILE A 63 -18.697 -2.222 5.194 1.00 0.00 C ATOM 914 CG2 ILE A 63 -18.738 0.033 4.144 1.00 0.00 C ATOM 915 CD1 ILE A 63 -17.310 -2.630 4.700 1.00 0.00 C ATOM 0 H ILE A 63 -21.704 -2.872 3.843 1.00 0.00 H new ATOM 0 HA ILE A 63 -20.672 -0.990 5.795 1.00 0.00 H new ATOM 0 HB ILE A 63 -19.484 -1.710 3.178 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -18.598 -1.695 6.143 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -19.286 -3.119 5.387 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -17.735 -0.100 3.739 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -19.300 0.715 3.505 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -18.671 0.449 5.149 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -16.828 -3.260 5.448 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -17.405 -3.183 3.766 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -16.706 -1.738 4.534 1.00 0.00 H new ATOM 927 N ASP A 64 -21.940 0.887 4.893 1.00 0.00 N ATOM 928 CA ASP A 64 -22.764 1.997 4.528 1.00 0.00 C ATOM 929 C ASP A 64 -21.924 3.189 4.219 1.00 0.00 C ATOM 930 O ASP A 64 -20.703 3.089 4.328 1.00 0.00 O ATOM 931 CB ASP A 64 -23.807 2.236 5.632 1.00 0.00 C ATOM 932 CG ASP A 64 -23.124 2.456 6.974 1.00 0.00 C ATOM 933 OD1 ASP A 64 -22.685 1.461 7.611 1.00 0.00 O ATOM 934 OD2 ASP A 64 -23.036 3.611 7.470 1.00 0.00 O ATOM 0 H ASP A 64 -21.595 0.951 5.851 1.00 0.00 H new ATOM 0 HA ASP A 64 -23.316 1.783 3.612 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -24.417 3.104 5.382 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -24.480 1.381 5.696 1.00 0.00 H new ATOM 939 N PHE A 65 -22.504 4.328 3.801 1.00 0.00 N ATOM 940 CA PHE A 65 -21.763 5.452 3.319 1.00 0.00 C ATOM 941 C PHE A 65 -20.726 6.157 4.124 1.00 0.00 C ATOM 942 O PHE A 65 -19.644 6.440 3.611 1.00 0.00 O ATOM 943 CB PHE A 65 -22.662 6.454 2.575 1.00 0.00 C ATOM 944 CG PHE A 65 -21.874 7.466 1.817 1.00 0.00 C ATOM 945 CD1 PHE A 65 -21.009 7.113 0.808 1.00 0.00 C ATOM 946 CD2 PHE A 65 -21.927 8.809 2.106 1.00 0.00 C ATOM 947 CE1 PHE A 65 -20.208 7.985 0.109 1.00 0.00 C ATOM 948 CE2 PHE A 65 -21.096 9.742 1.531 1.00 0.00 C ATOM 949 CZ PHE A 65 -20.295 9.299 0.504 1.00 0.00 C ATOM 0 H PHE A 65 -23.514 4.471 3.798 1.00 0.00 H new ATOM 0 HA PHE A 65 -21.091 4.892 2.669 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -23.313 5.914 1.887 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -23.307 6.962 3.292 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -20.954 6.067 0.543 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -22.660 9.149 2.822 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -19.559 7.662 -0.691 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -21.073 10.768 1.868 1.00 0.00 H new ATOM 0 HZ PHE A 65 -19.698 10.028 -0.024 1.00 0.00 H new ATOM 959 N PRO A 66 -20.914 6.567 5.343 1.00 0.00 N ATOM 960 CA PRO A 66 -19.932 7.245 6.139 1.00 0.00 C ATOM 961 C PRO A 66 -18.790 6.366 6.517 1.00 0.00 C ATOM 962 O PRO A 66 -17.662 6.807 6.732 1.00 0.00 O ATOM 963 CB PRO A 66 -20.723 7.882 7.279 1.00 0.00 C ATOM 964 CG PRO A 66 -21.966 6.988 7.413 1.00 0.00 C ATOM 965 CD PRO A 66 -22.238 6.647 5.940 1.00 0.00 C ATOM 0 HA PRO A 66 -19.402 8.029 5.598 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -20.145 7.903 8.203 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -20.995 8.912 7.049 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -21.773 6.099 8.014 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -22.802 7.511 7.877 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -22.777 5.705 5.842 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -22.846 7.413 5.459 1.00 0.00 H new ATOM 973 N GLU A 67 -19.094 5.056 6.483 1.00 0.00 N ATOM 974 CA GLU A 67 -18.159 4.021 6.798 1.00 0.00 C ATOM 975 C GLU A 67 -17.377 3.636 5.590 1.00 0.00 C ATOM 976 O GLU A 67 -16.195 3.297 5.632 1.00 0.00 O ATOM 977 CB GLU A 67 -18.941 2.805 7.323 1.00 0.00 C ATOM 978 CG GLU A 67 -18.287 1.797 8.271 1.00 0.00 C ATOM 979 CD GLU A 67 -19.467 0.895 8.603 1.00 0.00 C ATOM 980 OE1 GLU A 67 -19.845 -0.006 7.808 1.00 0.00 O ATOM 981 OE2 GLU A 67 -20.182 1.018 9.633 1.00 0.00 O ATOM 0 H GLU A 67 -20.018 4.707 6.229 1.00 0.00 H new ATOM 0 HA GLU A 67 -17.460 4.378 7.555 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -19.828 3.189 7.828 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -19.286 2.247 6.452 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -17.473 1.251 7.794 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -17.872 2.276 9.158 1.00 0.00 H new ATOM 988 N PHE A 68 -17.976 3.777 4.394 1.00 0.00 N ATOM 989 CA PHE A 68 -17.364 3.746 3.102 1.00 0.00 C ATOM 990 C PHE A 68 -16.396 4.873 2.988 1.00 0.00 C ATOM 991 O PHE A 68 -15.260 4.708 2.546 1.00 0.00 O ATOM 992 CB PHE A 68 -18.399 3.771 1.965 1.00 0.00 C ATOM 993 CG PHE A 68 -17.763 3.598 0.628 1.00 0.00 C ATOM 994 CD1 PHE A 68 -17.342 2.378 0.153 1.00 0.00 C ATOM 995 CD2 PHE A 68 -17.659 4.661 -0.237 1.00 0.00 C ATOM 996 CE1 PHE A 68 -16.923 2.165 -1.139 1.00 0.00 C ATOM 997 CE2 PHE A 68 -17.262 4.511 -1.545 1.00 0.00 C ATOM 998 CZ PHE A 68 -16.922 3.252 -1.982 1.00 0.00 C ATOM 0 H PHE A 68 -18.983 3.927 4.328 1.00 0.00 H new ATOM 0 HA PHE A 68 -16.828 2.803 2.998 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -19.131 2.979 2.124 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -18.941 4.716 1.989 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -17.340 1.539 0.834 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -17.898 5.651 0.124 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -16.609 1.188 -1.477 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -17.218 5.360 -2.212 1.00 0.00 H new ATOM 0 HZ PHE A 68 -16.646 3.113 -3.017 1.00 0.00 H new ATOM 1008 N LEU A 69 -16.696 6.129 3.364 1.00 0.00 N ATOM 1009 CA LEU A 69 -15.889 7.298 3.203 1.00 0.00 C ATOM 1010 C LEU A 69 -14.506 7.148 3.735 1.00 0.00 C ATOM 1011 O LEU A 69 -13.519 7.314 3.019 1.00 0.00 O ATOM 1012 CB LEU A 69 -16.743 8.413 3.831 1.00 0.00 C ATOM 1013 CG LEU A 69 -16.184 9.843 3.916 1.00 0.00 C ATOM 1014 CD1 LEU A 69 -17.354 10.783 4.251 1.00 0.00 C ATOM 1015 CD2 LEU A 69 -14.927 10.227 4.715 1.00 0.00 C ATOM 0 H LEU A 69 -17.582 6.343 3.821 1.00 0.00 H new ATOM 0 HA LEU A 69 -15.662 7.528 2.162 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -17.678 8.461 3.272 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -16.993 8.100 4.845 1.00 0.00 H new ATOM 0 HG LEU A 69 -15.738 9.943 2.926 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -16.989 11.808 4.319 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -18.109 10.717 3.468 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -17.794 10.491 5.205 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -14.744 11.297 4.614 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -15.076 9.982 5.767 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -14.069 9.674 4.332 1.00 0.00 H new ATOM 1027 N THR A 70 -14.325 6.835 5.031 1.00 0.00 N ATOM 1028 CA THR A 70 -13.087 6.490 5.657 1.00 0.00 C ATOM 1029 C THR A 70 -12.392 5.271 5.156 1.00 0.00 C ATOM 1030 O THR A 70 -11.201 5.137 4.879 1.00 0.00 O ATOM 1031 CB THR A 70 -13.240 6.596 7.146 1.00 0.00 C ATOM 1032 OG1 THR A 70 -13.960 5.483 7.655 1.00 0.00 O ATOM 1033 CG2 THR A 70 -13.966 7.881 7.577 1.00 0.00 C ATOM 0 H THR A 70 -15.104 6.823 5.689 1.00 0.00 H new ATOM 0 HA THR A 70 -12.353 7.230 5.338 1.00 0.00 H new ATOM 0 HB THR A 70 -12.229 6.618 7.553 1.00 0.00 H new ATOM 0 HG1 THR A 70 -14.049 5.568 8.627 1.00 0.00 H new ATOM 0 HG21 THR A 70 -14.049 7.905 8.664 1.00 0.00 H new ATOM 0 HG22 THR A 70 -13.402 8.749 7.237 1.00 0.00 H new ATOM 0 HG23 THR A 70 -14.963 7.901 7.137 1.00 0.00 H new ATOM 1041 N MET A 71 -13.156 4.234 4.770 1.00 0.00 N ATOM 1042 CA MET A 71 -12.652 3.061 4.126 1.00 0.00 C ATOM 1043 C MET A 71 -12.051 3.379 2.800 1.00 0.00 C ATOM 1044 O MET A 71 -10.953 2.899 2.525 1.00 0.00 O ATOM 1045 CB MET A 71 -13.710 1.974 3.867 1.00 0.00 C ATOM 1046 CG MET A 71 -13.174 0.578 3.543 1.00 0.00 C ATOM 1047 SD MET A 71 -14.535 -0.539 3.091 1.00 0.00 S ATOM 1048 CE MET A 71 -14.968 0.014 1.417 1.00 0.00 C ATOM 0 H MET A 71 -14.166 4.212 4.912 1.00 0.00 H new ATOM 0 HA MET A 71 -11.913 2.681 4.831 1.00 0.00 H new ATOM 0 HB2 MET A 71 -14.349 1.901 4.747 1.00 0.00 H new ATOM 0 HB3 MET A 71 -14.342 2.300 3.040 1.00 0.00 H new ATOM 0 HG2 MET A 71 -12.458 0.638 2.723 1.00 0.00 H new ATOM 0 HG3 MET A 71 -12.639 0.179 4.405 1.00 0.00 H new ATOM 0 HE1 MET A 71 -16.046 -0.065 1.275 1.00 0.00 H new ATOM 0 HE2 MET A 71 -14.660 1.051 1.285 1.00 0.00 H new ATOM 0 HE3 MET A 71 -14.459 -0.612 0.684 1.00 0.00 H new ATOM 1058 N MET A 72 -12.668 4.235 1.966 1.00 0.00 N ATOM 1059 CA MET A 72 -12.121 4.618 0.701 1.00 0.00 C ATOM 1060 C MET A 72 -10.963 5.533 0.902 1.00 0.00 C ATOM 1061 O MET A 72 -9.981 5.330 0.189 1.00 0.00 O ATOM 1062 CB MET A 72 -13.202 5.150 -0.254 1.00 0.00 C ATOM 1063 CG MET A 72 -12.698 5.165 -1.698 1.00 0.00 C ATOM 1064 SD MET A 72 -12.071 3.636 -2.456 1.00 0.00 S ATOM 1065 CE MET A 72 -13.513 2.597 -2.087 1.00 0.00 C ATOM 0 H MET A 72 -13.566 4.671 2.175 1.00 0.00 H new ATOM 0 HA MET A 72 -11.729 3.736 0.194 1.00 0.00 H new ATOM 0 HB2 MET A 72 -14.094 4.527 -0.183 1.00 0.00 H new ATOM 0 HB3 MET A 72 -13.492 6.157 0.044 1.00 0.00 H new ATOM 0 HG2 MET A 72 -13.515 5.526 -2.323 1.00 0.00 H new ATOM 0 HG3 MET A 72 -11.901 5.906 -1.756 1.00 0.00 H new ATOM 0 HE1 MET A 72 -13.323 1.578 -2.423 1.00 0.00 H new ATOM 0 HE2 MET A 72 -13.696 2.597 -1.012 1.00 0.00 H new ATOM 0 HE3 MET A 72 -14.388 2.992 -2.604 1.00 0.00 H new ATOM 1075 N ALA A 73 -11.001 6.425 1.909 1.00 0.00 N ATOM 1076 CA ALA A 73 -9.879 7.257 2.216 1.00 0.00 C ATOM 1077 C ALA A 73 -8.683 6.531 2.728 1.00 0.00 C ATOM 1078 O ALA A 73 -7.536 6.880 2.456 1.00 0.00 O ATOM 1079 CB ALA A 73 -10.295 8.397 3.161 1.00 0.00 C ATOM 0 H ALA A 73 -11.811 6.570 2.512 1.00 0.00 H new ATOM 0 HA ALA A 73 -9.556 7.677 1.264 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -9.428 9.020 3.384 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -11.064 9.003 2.683 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -10.687 7.977 4.087 1.00 0.00 H new ATOM 1234 N GLU A 83 5.107 0.269 -4.126 1.00 0.00 N ATOM 1235 CA GLU A 83 5.345 -1.127 -4.324 1.00 0.00 C ATOM 1236 C GLU A 83 6.585 -1.694 -3.722 1.00 0.00 C ATOM 1237 O GLU A 83 6.646 -2.918 -3.619 1.00 0.00 O ATOM 1238 CB GLU A 83 5.145 -1.514 -5.799 1.00 0.00 C ATOM 1239 CG GLU A 83 4.980 -3.015 -6.044 1.00 0.00 C ATOM 1240 CD GLU A 83 4.446 -3.398 -7.417 1.00 0.00 C ATOM 1241 OE1 GLU A 83 3.249 -3.287 -7.795 1.00 0.00 O ATOM 1242 OE2 GLU A 83 5.272 -4.020 -8.137 1.00 0.00 O ATOM 0 HA GLU A 83 4.578 -1.620 -3.727 1.00 0.00 H new ATOM 0 HB2 GLU A 83 4.264 -0.997 -6.181 1.00 0.00 H new ATOM 0 HB3 GLU A 83 5.999 -1.156 -6.374 1.00 0.00 H new ATOM 0 HG2 GLU A 83 5.947 -3.498 -5.901 1.00 0.00 H new ATOM 0 HG3 GLU A 83 4.308 -3.418 -5.286 1.00 0.00 H new ATOM 1249 N GLU A 84 7.590 -0.904 -3.305 1.00 0.00 N ATOM 1250 CA GLU A 84 8.743 -1.357 -2.590 1.00 0.00 C ATOM 1251 C GLU A 84 8.471 -1.559 -1.139 1.00 0.00 C ATOM 1252 O GLU A 84 9.105 -2.399 -0.502 1.00 0.00 O ATOM 1253 CB GLU A 84 9.993 -0.495 -2.834 1.00 0.00 C ATOM 1254 CG GLU A 84 10.415 -0.457 -4.304 1.00 0.00 C ATOM 1255 CD GLU A 84 11.464 0.626 -4.513 1.00 0.00 C ATOM 1256 OE1 GLU A 84 12.546 0.453 -3.891 1.00 0.00 O ATOM 1257 OE2 GLU A 84 11.237 1.563 -5.323 1.00 0.00 O ATOM 0 H GLU A 84 7.599 0.102 -3.475 1.00 0.00 H new ATOM 0 HA GLU A 84 8.975 -2.337 -3.007 1.00 0.00 H new ATOM 0 HB2 GLU A 84 9.799 0.521 -2.491 1.00 0.00 H new ATOM 0 HB3 GLU A 84 10.817 -0.882 -2.235 1.00 0.00 H new ATOM 0 HG2 GLU A 84 10.816 -1.426 -4.602 1.00 0.00 H new ATOM 0 HG3 GLU A 84 9.548 -0.263 -4.936 1.00 0.00 H new ATOM 1264 N ILE A 85 7.497 -0.854 -0.536 1.00 0.00 N ATOM 1265 CA ILE A 85 6.933 -1.069 0.760 1.00 0.00 C ATOM 1266 C ILE A 85 5.985 -2.216 0.838 1.00 0.00 C ATOM 1267 O ILE A 85 5.931 -3.111 1.679 1.00 0.00 O ATOM 1268 CB ILE A 85 6.305 0.155 1.357 1.00 0.00 C ATOM 1269 CG1 ILE A 85 7.226 1.380 1.486 1.00 0.00 C ATOM 1270 CG2 ILE A 85 5.609 -0.221 2.676 1.00 0.00 C ATOM 1271 CD1 ILE A 85 8.592 1.265 2.162 1.00 0.00 C ATOM 0 H ILE A 85 7.065 -0.057 -1.003 1.00 0.00 H new ATOM 0 HA ILE A 85 7.804 -1.329 1.362 1.00 0.00 H new ATOM 0 HB ILE A 85 5.560 0.503 0.641 1.00 0.00 H new ATOM 0 HG12 ILE A 85 7.398 1.758 0.478 1.00 0.00 H new ATOM 0 HG13 ILE A 85 6.667 2.146 2.023 1.00 0.00 H new ATOM 0 HG21 ILE A 85 5.152 0.667 3.112 1.00 0.00 H new ATOM 0 HG22 ILE A 85 4.839 -0.967 2.481 1.00 0.00 H new ATOM 0 HG23 ILE A 85 6.343 -0.630 3.371 1.00 0.00 H new ATOM 0 HD11 ILE A 85 9.086 2.237 2.152 1.00 0.00 H new ATOM 0 HD12 ILE A 85 8.461 0.935 3.193 1.00 0.00 H new ATOM 0 HD13 ILE A 85 9.204 0.541 1.624 1.00 0.00 H new ATOM 1283 N ARG A 86 5.026 -2.226 -0.106 1.00 0.00 N ATOM 1284 CA ARG A 86 3.962 -3.176 -0.200 1.00 0.00 C ATOM 1285 C ARG A 86 4.413 -4.578 -0.428 1.00 0.00 C ATOM 1286 O ARG A 86 3.889 -5.495 0.201 1.00 0.00 O ATOM 1287 CB ARG A 86 3.068 -2.747 -1.376 1.00 0.00 C ATOM 1288 CG ARG A 86 1.731 -3.489 -1.348 1.00 0.00 C ATOM 1289 CD ARG A 86 0.838 -3.087 -2.523 1.00 0.00 C ATOM 1290 NE ARG A 86 -0.561 -3.498 -2.217 1.00 0.00 N ATOM 1291 CZ ARG A 86 -1.400 -2.816 -1.383 1.00 0.00 C ATOM 1292 NH1 ARG A 86 -1.055 -1.615 -0.835 1.00 0.00 N ATOM 1293 NH2 ARG A 86 -2.617 -3.341 -1.056 1.00 0.00 N ATOM 0 H ARG A 86 4.993 -1.527 -0.848 1.00 0.00 H new ATOM 0 HA ARG A 86 3.439 -3.179 0.756 1.00 0.00 H new ATOM 0 HB2 ARG A 86 2.892 -1.672 -1.331 1.00 0.00 H new ATOM 0 HB3 ARG A 86 3.579 -2.947 -2.318 1.00 0.00 H new ATOM 0 HG2 ARG A 86 1.910 -4.564 -1.378 1.00 0.00 H new ATOM 0 HG3 ARG A 86 1.217 -3.277 -0.411 1.00 0.00 H new ATOM 0 HD2 ARG A 86 0.889 -2.011 -2.686 1.00 0.00 H new ATOM 0 HD3 ARG A 86 1.181 -3.565 -3.440 1.00 0.00 H new ATOM 0 HE ARG A 86 -0.916 -4.345 -2.660 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -0.147 -1.201 -1.045 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -1.705 -1.131 -0.216 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -2.901 -4.244 -1.435 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -3.242 -2.830 -0.433 1.00 0.00 H new ATOM 1307 N GLU A 87 5.369 -4.781 -1.353 1.00 0.00 N ATOM 1308 CA GLU A 87 6.029 -6.030 -1.571 1.00 0.00 C ATOM 1309 C GLU A 87 6.882 -6.501 -0.444 1.00 0.00 C ATOM 1310 O GLU A 87 7.025 -7.682 -0.132 1.00 0.00 O ATOM 1311 CB GLU A 87 6.888 -6.001 -2.847 1.00 0.00 C ATOM 1312 CG GLU A 87 7.210 -7.434 -3.276 1.00 0.00 C ATOM 1313 CD GLU A 87 7.675 -7.361 -4.723 1.00 0.00 C ATOM 1314 OE1 GLU A 87 6.798 -7.341 -5.628 1.00 0.00 O ATOM 1315 OE2 GLU A 87 8.903 -7.391 -5.002 1.00 0.00 O ATOM 0 H GLU A 87 5.695 -4.042 -1.976 1.00 0.00 H new ATOM 0 HA GLU A 87 5.207 -6.739 -1.669 1.00 0.00 H new ATOM 0 HB2 GLU A 87 6.357 -5.482 -3.645 1.00 0.00 H new ATOM 0 HB3 GLU A 87 7.810 -5.448 -2.666 1.00 0.00 H new ATOM 0 HG2 GLU A 87 7.985 -7.863 -2.641 1.00 0.00 H new ATOM 0 HG3 GLU A 87 6.332 -8.073 -3.183 1.00 0.00 H new ATOM 1322 N ALA A 88 7.500 -5.624 0.368 1.00 0.00 N ATOM 1323 CA ALA A 88 8.198 -6.103 1.521 1.00 0.00 C ATOM 1324 C ALA A 88 7.288 -6.523 2.623 1.00 0.00 C ATOM 1325 O ALA A 88 7.749 -7.223 3.522 1.00 0.00 O ATOM 1326 CB ALA A 88 8.797 -4.765 1.988 1.00 0.00 C ATOM 0 H ALA A 88 7.518 -4.613 0.233 1.00 0.00 H new ATOM 0 HA ALA A 88 8.849 -6.950 1.303 1.00 0.00 H new ATOM 0 HB1 ALA A 88 9.387 -4.926 2.890 1.00 0.00 H new ATOM 0 HB2 ALA A 88 9.436 -4.359 1.204 1.00 0.00 H new ATOM 0 HB3 ALA A 88 7.993 -4.061 2.201 1.00 0.00 H new ATOM 1332 N PHE A 89 5.986 -6.184 2.646 1.00 0.00 N ATOM 1333 CA PHE A 89 4.979 -6.815 3.442 1.00 0.00 C ATOM 1334 C PHE A 89 4.792 -8.233 3.024 1.00 0.00 C ATOM 1335 O PHE A 89 4.849 -9.175 3.813 1.00 0.00 O ATOM 1336 CB PHE A 89 3.568 -6.207 3.395 1.00 0.00 C ATOM 1337 CG PHE A 89 2.960 -6.536 4.715 1.00 0.00 C ATOM 1338 CD1 PHE A 89 3.077 -5.685 5.788 1.00 0.00 C ATOM 1339 CD2 PHE A 89 2.228 -7.688 4.889 1.00 0.00 C ATOM 1340 CE1 PHE A 89 2.653 -6.010 7.055 1.00 0.00 C ATOM 1341 CE2 PHE A 89 1.790 -8.016 6.150 1.00 0.00 C ATOM 1342 CZ PHE A 89 1.940 -7.173 7.226 1.00 0.00 C ATOM 0 H PHE A 89 5.615 -5.424 2.075 1.00 0.00 H new ATOM 0 HA PHE A 89 5.373 -6.682 4.449 1.00 0.00 H new ATOM 0 HB2 PHE A 89 3.608 -5.129 3.237 1.00 0.00 H new ATOM 0 HB3 PHE A 89 2.984 -6.628 2.576 1.00 0.00 H new ATOM 0 HD1 PHE A 89 3.523 -4.715 5.628 1.00 0.00 H new ATOM 0 HD2 PHE A 89 2.001 -8.325 4.047 1.00 0.00 H new ATOM 0 HE1 PHE A 89 2.874 -5.368 7.895 1.00 0.00 H new ATOM 0 HE2 PHE A 89 1.310 -8.972 6.301 1.00 0.00 H new ATOM 0 HZ PHE A 89 1.507 -7.419 8.184 1.00 0.00 H new ATOM 1352 N ARG A 90 4.681 -8.492 1.708 1.00 0.00 N ATOM 1353 CA ARG A 90 4.363 -9.812 1.260 1.00 0.00 C ATOM 1354 C ARG A 90 5.547 -10.717 1.278 1.00 0.00 C ATOM 1355 O ARG A 90 5.341 -11.905 1.522 1.00 0.00 O ATOM 1356 CB ARG A 90 3.930 -9.710 -0.212 1.00 0.00 C ATOM 1357 CG ARG A 90 3.633 -10.960 -1.043 1.00 0.00 C ATOM 1358 CD ARG A 90 2.184 -11.440 -0.931 1.00 0.00 C ATOM 1359 NE ARG A 90 2.167 -12.092 0.408 1.00 0.00 N ATOM 1360 CZ ARG A 90 1.406 -13.187 0.700 1.00 0.00 C ATOM 1361 NH1 ARG A 90 0.484 -13.633 -0.202 1.00 0.00 N ATOM 1362 NH2 ARG A 90 1.522 -13.842 1.892 1.00 0.00 N ATOM 0 H ARG A 90 4.809 -7.802 0.967 1.00 0.00 H new ATOM 0 HA ARG A 90 3.594 -10.212 1.921 1.00 0.00 H new ATOM 0 HB2 ARG A 90 3.033 -9.092 -0.237 1.00 0.00 H new ATOM 0 HB3 ARG A 90 4.711 -9.159 -0.735 1.00 0.00 H new ATOM 0 HG2 ARG A 90 3.858 -10.753 -2.089 1.00 0.00 H new ATOM 0 HG3 ARG A 90 4.299 -11.763 -0.727 1.00 0.00 H new ATOM 0 HD2 ARG A 90 1.476 -10.613 -0.989 1.00 0.00 H new ATOM 0 HD3 ARG A 90 1.925 -12.138 -1.727 1.00 0.00 H new ATOM 0 HE ARG A 90 2.754 -11.700 1.144 1.00 0.00 H new ATOM 0 HH11 ARG A 90 0.365 -13.148 -1.092 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -0.086 -14.451 0.013 1.00 0.00 H new ATOM 0 HH21 ARG A 90 2.190 -13.516 2.590 1.00 0.00 H new ATOM 0 HH22 ARG A 90 0.941 -14.658 2.084 1.00 0.00 H new ATOM 1376 N VAL A 91 6.786 -10.208 1.155 1.00 0.00 N ATOM 1377 CA VAL A 91 7.991 -10.915 1.461 1.00 0.00 C ATOM 1378 C VAL A 91 7.942 -11.526 2.819 1.00 0.00 C ATOM 1379 O VAL A 91 8.286 -12.682 3.057 1.00 0.00 O ATOM 1380 CB VAL A 91 9.174 -10.015 1.256 1.00 0.00 C ATOM 1381 CG1 VAL A 91 10.465 -10.269 2.052 1.00 0.00 C ATOM 1382 CG2 VAL A 91 9.512 -9.850 -0.236 1.00 0.00 C ATOM 0 H VAL A 91 6.955 -9.257 0.826 1.00 0.00 H new ATOM 0 HA VAL A 91 8.098 -11.754 0.773 1.00 0.00 H new ATOM 0 HB VAL A 91 8.795 -9.094 1.698 1.00 0.00 H new ATOM 0 HG11 VAL A 91 11.213 -9.525 1.778 1.00 0.00 H new ATOM 0 HG12 VAL A 91 10.255 -10.197 3.119 1.00 0.00 H new ATOM 0 HG13 VAL A 91 10.843 -11.265 1.823 1.00 0.00 H new ATOM 0 HG21 VAL A 91 10.374 -9.191 -0.343 1.00 0.00 H new ATOM 0 HG22 VAL A 91 9.744 -10.824 -0.666 1.00 0.00 H new ATOM 0 HG23 VAL A 91 8.658 -9.417 -0.757 1.00 0.00 H new ATOM 1392 N PHE A 92 7.502 -10.773 3.843 1.00 0.00 N ATOM 1393 CA PHE A 92 7.544 -11.201 5.207 1.00 0.00 C ATOM 1394 C PHE A 92 6.343 -11.999 5.581 1.00 0.00 C ATOM 1395 O PHE A 92 6.500 -12.967 6.323 1.00 0.00 O ATOM 1396 CB PHE A 92 7.566 -9.925 6.064 1.00 0.00 C ATOM 1397 CG PHE A 92 8.932 -9.345 6.201 1.00 0.00 C ATOM 1398 CD1 PHE A 92 10.040 -10.084 6.543 1.00 0.00 C ATOM 1399 CD2 PHE A 92 9.111 -8.007 5.936 1.00 0.00 C ATOM 1400 CE1 PHE A 92 11.305 -9.550 6.613 1.00 0.00 C ATOM 1401 CE2 PHE A 92 10.358 -7.435 6.032 1.00 0.00 C ATOM 1402 CZ PHE A 92 11.433 -8.193 6.432 1.00 0.00 C ATOM 0 H PHE A 92 7.106 -9.841 3.719 1.00 0.00 H new ATOM 0 HA PHE A 92 8.418 -11.833 5.362 1.00 0.00 H new ATOM 0 HB2 PHE A 92 6.904 -9.182 5.619 1.00 0.00 H new ATOM 0 HB3 PHE A 92 7.171 -10.151 7.054 1.00 0.00 H new ATOM 0 HD1 PHE A 92 9.911 -11.133 6.767 1.00 0.00 H new ATOM 0 HD2 PHE A 92 8.265 -7.400 5.650 1.00 0.00 H new ATOM 0 HE1 PHE A 92 12.166 -10.173 6.803 1.00 0.00 H new ATOM 0 HE2 PHE A 92 10.493 -6.390 5.793 1.00 0.00 H new ATOM 0 HZ PHE A 92 12.387 -7.718 6.606 1.00 0.00 H new ATOM 1412 N ASP A 93 5.133 -11.648 5.110 1.00 0.00 N ATOM 1413 CA ASP A 93 3.952 -12.344 5.519 1.00 0.00 C ATOM 1414 C ASP A 93 3.886 -13.643 4.791 1.00 0.00 C ATOM 1415 O ASP A 93 3.568 -13.688 3.603 1.00 0.00 O ATOM 1416 CB ASP A 93 2.693 -11.467 5.409 1.00 0.00 C ATOM 1417 CG ASP A 93 1.514 -11.977 6.226 1.00 0.00 C ATOM 1418 OD1 ASP A 93 1.564 -13.063 6.861 1.00 0.00 O ATOM 1419 OD2 ASP A 93 0.389 -11.422 6.115 1.00 0.00 O ATOM 0 H ASP A 93 4.972 -10.887 4.450 1.00 0.00 H new ATOM 0 HA ASP A 93 3.999 -12.577 6.583 1.00 0.00 H new ATOM 0 HB2 ASP A 93 2.937 -10.455 5.733 1.00 0.00 H new ATOM 0 HB3 ASP A 93 2.397 -11.403 4.362 1.00 0.00 H new ATOM 1424 N LYS A 94 4.204 -14.762 5.466 1.00 0.00 N ATOM 1425 CA LYS A 94 4.197 -16.047 4.839 1.00 0.00 C ATOM 1426 C LYS A 94 2.841 -16.583 4.530 1.00 0.00 C ATOM 1427 O LYS A 94 2.549 -16.896 3.377 1.00 0.00 O ATOM 1428 CB LYS A 94 4.998 -17.060 5.675 1.00 0.00 C ATOM 1429 CG LYS A 94 6.485 -16.762 5.875 1.00 0.00 C ATOM 1430 CD LYS A 94 7.345 -16.746 4.609 1.00 0.00 C ATOM 1431 CE LYS A 94 7.297 -15.494 3.730 1.00 0.00 C ATOM 1432 NZ LYS A 94 8.318 -15.832 2.713 1.00 0.00 N ATOM 0 H LYS A 94 4.467 -14.776 6.451 1.00 0.00 H new ATOM 0 HA LYS A 94 4.677 -15.898 3.872 1.00 0.00 H new ATOM 0 HB2 LYS A 94 4.531 -17.136 6.657 1.00 0.00 H new ATOM 0 HB3 LYS A 94 4.907 -18.038 5.203 1.00 0.00 H new ATOM 0 HG2 LYS A 94 6.578 -15.793 6.365 1.00 0.00 H new ATOM 0 HG3 LYS A 94 6.895 -17.505 6.559 1.00 0.00 H new ATOM 0 HD2 LYS A 94 8.381 -16.907 4.906 1.00 0.00 H new ATOM 0 HD3 LYS A 94 7.053 -17.598 3.995 1.00 0.00 H new ATOM 0 HE2 LYS A 94 6.312 -15.335 3.290 1.00 0.00 H new ATOM 0 HE3 LYS A 94 7.549 -14.590 4.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 9.077 -15.121 2.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 8.717 -16.770 2.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 7.879 -15.843 1.770 1.00 0.00 H new ATOM 1446 N ASP A 95 2.034 -16.717 5.598 1.00 0.00 N ATOM 1447 CA ASP A 95 0.742 -17.325 5.538 1.00 0.00 C ATOM 1448 C ASP A 95 -0.263 -16.551 4.756 1.00 0.00 C ATOM 1449 O ASP A 95 -1.106 -17.131 4.073 1.00 0.00 O ATOM 1450 CB ASP A 95 0.347 -17.740 6.965 1.00 0.00 C ATOM 1451 CG ASP A 95 0.542 -16.643 8.002 1.00 0.00 C ATOM 1452 OD1 ASP A 95 -0.221 -15.641 7.974 1.00 0.00 O ATOM 1453 OD2 ASP A 95 1.593 -16.539 8.689 1.00 0.00 O ATOM 0 H ASP A 95 2.289 -16.392 6.531 1.00 0.00 H new ATOM 0 HA ASP A 95 0.779 -18.234 4.938 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -0.699 -18.047 6.967 1.00 0.00 H new ATOM 0 HB3 ASP A 95 0.935 -18.610 7.256 1.00 0.00 H new ATOM 1458 N GLY A 96 -0.160 -15.215 4.865 1.00 0.00 N ATOM 1459 CA GLY A 96 -1.002 -14.261 4.210 1.00 0.00 C ATOM 1460 C GLY A 96 -2.288 -13.855 4.843 1.00 0.00 C ATOM 1461 O GLY A 96 -3.173 -13.379 4.132 1.00 0.00 O ATOM 0 H GLY A 96 0.554 -14.774 5.445 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -0.413 -13.356 4.059 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -1.236 -14.657 3.222 1.00 0.00 H new ATOM 1465 N ASN A 97 -2.339 -13.934 6.184 1.00 0.00 N ATOM 1466 CA ASN A 97 -3.326 -13.317 7.016 1.00 0.00 C ATOM 1467 C ASN A 97 -3.295 -11.833 7.148 1.00 0.00 C ATOM 1468 O ASN A 97 -4.324 -11.236 7.461 1.00 0.00 O ATOM 1469 CB ASN A 97 -3.312 -13.985 8.401 1.00 0.00 C ATOM 1470 CG ASN A 97 -2.132 -13.772 9.338 1.00 0.00 C ATOM 1471 OD1 ASN A 97 -1.035 -13.298 9.047 1.00 0.00 O ATOM 1472 ND2 ASN A 97 -2.455 -14.232 10.577 1.00 0.00 N ATOM 0 H ASN A 97 -1.649 -14.461 6.720 1.00 0.00 H new ATOM 0 HA ASN A 97 -4.263 -13.486 6.485 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -4.208 -13.656 8.928 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -3.411 -15.059 8.244 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -1.768 -14.195 11.330 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -3.384 -14.614 10.753 1.00 0.00 H new ATOM 1479 N GLY A 98 -2.157 -11.138 6.971 1.00 0.00 N ATOM 1480 CA GLY A 98 -2.102 -9.717 7.118 1.00 0.00 C ATOM 1481 C GLY A 98 -1.277 -9.313 8.291 1.00 0.00 C ATOM 1482 O GLY A 98 -1.129 -8.120 8.555 1.00 0.00 O ATOM 0 H GLY A 98 -1.265 -11.567 6.723 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -1.688 -9.274 6.212 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -3.112 -9.324 7.232 1.00 0.00 H new ATOM 1486 N TYR A 99 -0.797 -10.327 9.033 1.00 0.00 N ATOM 1487 CA TYR A 99 -0.037 -10.164 10.233 1.00 0.00 C ATOM 1488 C TYR A 99 1.319 -10.766 10.093 1.00 0.00 C ATOM 1489 O TYR A 99 1.427 -11.923 9.688 1.00 0.00 O ATOM 1490 CB TYR A 99 -0.575 -10.842 11.505 1.00 0.00 C ATOM 1491 CG TYR A 99 -1.965 -10.360 11.742 1.00 0.00 C ATOM 1492 CD1 TYR A 99 -2.355 -9.045 11.639 1.00 0.00 C ATOM 1493 CD2 TYR A 99 -2.802 -11.278 12.330 1.00 0.00 C ATOM 1494 CE1 TYR A 99 -3.539 -8.590 12.170 1.00 0.00 C ATOM 1495 CE2 TYR A 99 -4.039 -10.858 12.758 1.00 0.00 C ATOM 1496 CZ TYR A 99 -4.419 -9.544 12.622 1.00 0.00 C ATOM 1497 OH TYR A 99 -5.651 -9.087 13.139 1.00 0.00 O ATOM 0 H TYR A 99 -0.946 -11.305 8.785 1.00 0.00 H new ATOM 0 HA TYR A 99 -0.069 -9.081 10.353 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -0.564 -11.926 11.391 1.00 0.00 H new ATOM 0 HB3 TYR A 99 0.060 -10.605 12.359 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -1.711 -8.347 11.125 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -2.495 -12.306 12.453 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -3.766 -7.536 12.229 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -4.719 -11.568 13.206 1.00 0.00 H new ATOM 0 HH TYR A 99 -6.190 -9.854 13.426 1.00 0.00 H new ATOM 1507 N ILE A 100 2.343 -10.086 10.638 1.00 0.00 N ATOM 1508 CA ILE A 100 3.669 -10.586 10.828 1.00 0.00 C ATOM 1509 C ILE A 100 3.981 -10.826 12.265 1.00 0.00 C ATOM 1510 O ILE A 100 3.915 -9.933 13.107 1.00 0.00 O ATOM 1511 CB ILE A 100 4.810 -9.834 10.208 1.00 0.00 C ATOM 1512 CG1 ILE A 100 4.771 -9.821 8.671 1.00 0.00 C ATOM 1513 CG2 ILE A 100 6.220 -10.265 10.644 1.00 0.00 C ATOM 1514 CD1 ILE A 100 5.154 -8.461 8.089 1.00 0.00 C ATOM 0 H ILE A 100 2.237 -9.126 10.967 1.00 0.00 H new ATOM 0 HA ILE A 100 3.612 -11.517 10.263 1.00 0.00 H new ATOM 0 HB ILE A 100 4.640 -8.832 10.601 1.00 0.00 H new ATOM 0 HG12 ILE A 100 5.451 -10.582 8.287 1.00 0.00 H new ATOM 0 HG13 ILE A 100 3.770 -10.088 8.334 1.00 0.00 H new ATOM 0 HG21 ILE A 100 6.962 -9.653 10.132 1.00 0.00 H new ATOM 0 HG22 ILE A 100 6.323 -10.135 11.721 1.00 0.00 H new ATOM 0 HG23 ILE A 100 6.375 -11.313 10.388 1.00 0.00 H new ATOM 0 HD11 ILE A 100 5.111 -8.506 7.001 1.00 0.00 H new ATOM 0 HD12 ILE A 100 4.459 -7.702 8.449 1.00 0.00 H new ATOM 0 HD13 ILE A 100 6.166 -8.203 8.401 1.00 0.00 H new ATOM 1526 N SER A 101 4.393 -12.060 12.609 1.00 0.00 N ATOM 1527 CA SER A 101 4.973 -12.345 13.884 1.00 0.00 C ATOM 1528 C SER A 101 6.446 -12.498 13.717 1.00 0.00 C ATOM 1529 O SER A 101 6.998 -12.657 12.630 1.00 0.00 O ATOM 1530 CB SER A 101 4.370 -13.596 14.544 1.00 0.00 C ATOM 1531 OG SER A 101 4.670 -14.765 13.796 1.00 0.00 O ATOM 0 H SER A 101 4.322 -12.870 11.994 1.00 0.00 H new ATOM 0 HA SER A 101 4.752 -11.512 14.552 1.00 0.00 H new ATOM 0 HB2 SER A 101 4.759 -13.699 15.557 1.00 0.00 H new ATOM 0 HB3 SER A 101 3.289 -13.482 14.627 1.00 0.00 H new ATOM 0 HG SER A 101 4.277 -15.546 14.238 1.00 0.00 H new ATOM 1537 N ALA A 102 7.203 -12.512 14.829 1.00 0.00 N ATOM 1538 CA ALA A 102 8.597 -12.796 14.973 1.00 0.00 C ATOM 1539 C ALA A 102 9.039 -14.018 14.243 1.00 0.00 C ATOM 1540 O ALA A 102 10.094 -14.002 13.611 1.00 0.00 O ATOM 1541 CB ALA A 102 9.053 -12.749 16.441 1.00 0.00 C ATOM 0 H ALA A 102 6.783 -12.298 15.734 1.00 0.00 H new ATOM 0 HA ALA A 102 9.123 -11.983 14.472 1.00 0.00 H new ATOM 0 HB1 ALA A 102 10.119 -12.971 16.498 1.00 0.00 H new ATOM 0 HB2 ALA A 102 8.867 -11.755 16.848 1.00 0.00 H new ATOM 0 HB3 ALA A 102 8.497 -13.487 17.019 1.00 0.00 H new ATOM 1547 N ALA A 103 8.291 -15.131 14.342 1.00 0.00 N ATOM 1548 CA ALA A 103 8.468 -16.418 13.745 1.00 0.00 C ATOM 1549 C ALA A 103 8.546 -16.264 12.265 1.00 0.00 C ATOM 1550 O ALA A 103 9.380 -16.925 11.648 1.00 0.00 O ATOM 1551 CB ALA A 103 7.299 -17.371 14.045 1.00 0.00 C ATOM 0 H ALA A 103 7.450 -15.121 14.920 1.00 0.00 H new ATOM 0 HA ALA A 103 9.382 -16.840 14.163 1.00 0.00 H new ATOM 0 HB1 ALA A 103 7.483 -18.334 13.569 1.00 0.00 H new ATOM 0 HB2 ALA A 103 7.210 -17.510 15.122 1.00 0.00 H new ATOM 0 HB3 ALA A 103 6.374 -16.945 13.657 1.00 0.00 H new ATOM 1557 N GLU A 104 7.796 -15.335 11.648 1.00 0.00 N ATOM 1558 CA GLU A 104 7.903 -14.991 10.264 1.00 0.00 C ATOM 1559 C GLU A 104 9.050 -14.107 9.915 1.00 0.00 C ATOM 1560 O GLU A 104 9.817 -14.473 9.026 1.00 0.00 O ATOM 1561 CB GLU A 104 6.576 -14.426 9.731 1.00 0.00 C ATOM 1562 CG GLU A 104 5.308 -15.174 10.148 1.00 0.00 C ATOM 1563 CD GLU A 104 3.982 -14.535 9.759 1.00 0.00 C ATOM 1564 OE1 GLU A 104 3.601 -14.282 8.585 1.00 0.00 O ATOM 1565 OE2 GLU A 104 3.150 -14.309 10.678 1.00 0.00 O ATOM 0 H GLU A 104 7.080 -14.798 12.137 1.00 0.00 H new ATOM 0 HA GLU A 104 8.122 -15.932 9.759 1.00 0.00 H new ATOM 0 HB2 GLU A 104 6.487 -13.391 10.061 1.00 0.00 H new ATOM 0 HB3 GLU A 104 6.623 -14.411 8.642 1.00 0.00 H new ATOM 0 HG2 GLU A 104 5.344 -16.174 9.716 1.00 0.00 H new ATOM 0 HG3 GLU A 104 5.324 -15.294 11.231 1.00 0.00 H new ATOM 1572 N LEU A 105 9.298 -13.077 10.743 1.00 0.00 N ATOM 1573 CA LEU A 105 10.439 -12.215 10.705 1.00 0.00 C ATOM 1574 C LEU A 105 11.758 -12.906 10.721 1.00 0.00 C ATOM 1575 O LEU A 105 12.667 -12.448 10.030 1.00 0.00 O ATOM 1576 CB LEU A 105 10.399 -10.976 11.616 1.00 0.00 C ATOM 1577 CG LEU A 105 11.157 -9.771 11.035 1.00 0.00 C ATOM 1578 CD1 LEU A 105 10.261 -8.891 10.147 1.00 0.00 C ATOM 1579 CD2 LEU A 105 11.686 -8.871 12.164 1.00 0.00 C ATOM 0 H LEU A 105 8.653 -12.829 11.494 1.00 0.00 H new ATOM 0 HA LEU A 105 10.340 -11.799 9.702 1.00 0.00 H new ATOM 0 HB2 LEU A 105 9.360 -10.694 11.789 1.00 0.00 H new ATOM 0 HB3 LEU A 105 10.826 -11.232 12.586 1.00 0.00 H new ATOM 0 HG LEU A 105 11.970 -10.187 10.440 1.00 0.00 H new ATOM 0 HD11 LEU A 105 10.842 -8.054 9.761 1.00 0.00 H new ATOM 0 HD12 LEU A 105 9.880 -9.483 9.315 1.00 0.00 H new ATOM 0 HD13 LEU A 105 9.425 -8.512 10.735 1.00 0.00 H new ATOM 0 HD21 LEU A 105 12.220 -8.023 11.734 1.00 0.00 H new ATOM 0 HD22 LEU A 105 10.850 -8.508 12.762 1.00 0.00 H new ATOM 0 HD23 LEU A 105 12.364 -9.443 12.798 1.00 0.00 H new ATOM 1591 N ARG A 106 11.963 -13.975 11.511 1.00 0.00 N ATOM 1592 CA ARG A 106 13.212 -14.669 11.564 1.00 0.00 C ATOM 1593 C ARG A 106 13.288 -15.539 10.357 1.00 0.00 C ATOM 1594 O ARG A 106 14.335 -15.548 9.712 1.00 0.00 O ATOM 1595 CB ARG A 106 13.366 -15.573 12.798 1.00 0.00 C ATOM 1596 CG ARG A 106 12.212 -16.542 13.067 1.00 0.00 C ATOM 1597 CD ARG A 106 12.360 -17.034 14.508 1.00 0.00 C ATOM 1598 NE ARG A 106 13.749 -17.431 14.874 1.00 0.00 N ATOM 1599 CZ ARG A 106 14.153 -17.430 16.178 1.00 0.00 C ATOM 1600 NH1 ARG A 106 13.275 -17.205 17.198 1.00 0.00 N ATOM 1601 NH2 ARG A 106 15.455 -17.732 16.455 1.00 0.00 N ATOM 0 H ARG A 106 11.248 -14.365 12.125 1.00 0.00 H new ATOM 0 HA ARG A 106 14.001 -13.919 11.613 1.00 0.00 H new ATOM 0 HB2 ARG A 106 14.283 -16.152 12.687 1.00 0.00 H new ATOM 0 HB3 ARG A 106 13.494 -14.939 13.675 1.00 0.00 H new ATOM 0 HG2 ARG A 106 11.252 -16.045 12.927 1.00 0.00 H new ATOM 0 HG3 ARG A 106 12.242 -17.379 12.370 1.00 0.00 H new ATOM 0 HD2 ARG A 106 12.028 -16.247 15.185 1.00 0.00 H new ATOM 0 HD3 ARG A 106 11.698 -17.886 14.660 1.00 0.00 H new ATOM 0 HE ARG A 106 14.405 -17.706 14.143 1.00 0.00 H new ATOM 0 HH11 ARG A 106 12.291 -17.032 16.995 1.00 0.00 H new ATOM 0 HH12 ARG A 106 13.603 -17.210 18.164 1.00 0.00 H new ATOM 0 HH21 ARG A 106 16.100 -17.951 15.696 1.00 0.00 H new ATOM 0 HH22 ARG A 106 15.783 -17.738 17.421 1.00 0.00 H new ATOM 1615 N HIS A 107 12.196 -16.242 10.009 1.00 0.00 N ATOM 1616 CA HIS A 107 12.223 -17.277 9.022 1.00 0.00 C ATOM 1617 C HIS A 107 12.544 -16.741 7.669 1.00 0.00 C ATOM 1618 O HIS A 107 13.139 -17.377 6.801 1.00 0.00 O ATOM 1619 CB HIS A 107 10.981 -18.182 9.094 1.00 0.00 C ATOM 1620 CG HIS A 107 11.037 -19.244 8.036 1.00 0.00 C ATOM 1621 ND1 HIS A 107 11.903 -20.312 8.153 1.00 0.00 N ATOM 1622 CD2 HIS A 107 10.266 -19.471 6.939 1.00 0.00 C ATOM 1623 CE1 HIS A 107 11.572 -21.139 7.125 1.00 0.00 C ATOM 1624 NE2 HIS A 107 10.595 -20.682 6.364 1.00 0.00 N ATOM 0 H HIS A 107 11.276 -16.089 10.421 1.00 0.00 H new ATOM 0 HA HIS A 107 13.050 -17.948 9.254 1.00 0.00 H new ATOM 0 HB2 HIS A 107 10.919 -18.645 10.079 1.00 0.00 H new ATOM 0 HB3 HIS A 107 10.080 -17.582 8.967 1.00 0.00 H new ATOM 0 HD2 HIS A 107 9.505 -18.799 6.570 1.00 0.00 H new ATOM 0 HE1 HIS A 107 12.064 -22.084 6.947 1.00 0.00 H new ATOM 0 HE2 HIS A 107 10.180 -21.121 5.542 1.00 0.00 H new ATOM 1632 N VAL A 108 12.131 -15.495 7.379 1.00 0.00 N ATOM 1633 CA VAL A 108 12.403 -14.805 6.157 1.00 0.00 C ATOM 1634 C VAL A 108 13.752 -14.173 6.161 1.00 0.00 C ATOM 1635 O VAL A 108 14.483 -14.165 5.172 1.00 0.00 O ATOM 1636 CB VAL A 108 11.317 -13.823 5.833 1.00 0.00 C ATOM 1637 CG1 VAL A 108 11.570 -13.087 4.506 1.00 0.00 C ATOM 1638 CG2 VAL A 108 9.928 -14.481 5.859 1.00 0.00 C ATOM 0 H VAL A 108 11.578 -14.940 8.032 1.00 0.00 H new ATOM 0 HA VAL A 108 12.414 -15.547 5.359 1.00 0.00 H new ATOM 0 HB VAL A 108 11.336 -13.068 6.619 1.00 0.00 H new ATOM 0 HG11 VAL A 108 10.756 -12.388 4.317 1.00 0.00 H new ATOM 0 HG12 VAL A 108 12.511 -12.540 4.567 1.00 0.00 H new ATOM 0 HG13 VAL A 108 11.623 -13.811 3.693 1.00 0.00 H new ATOM 0 HG21 VAL A 108 9.168 -13.737 5.619 1.00 0.00 H new ATOM 0 HG22 VAL A 108 9.893 -15.285 5.124 1.00 0.00 H new ATOM 0 HG23 VAL A 108 9.737 -14.888 6.852 1.00 0.00 H new ATOM 1648 N MET A 109 14.190 -13.662 7.326 1.00 0.00 N ATOM 1649 CA MET A 109 15.469 -13.042 7.485 1.00 0.00 C ATOM 1650 C MET A 109 16.605 -13.965 7.205 1.00 0.00 C ATOM 1651 O MET A 109 17.632 -13.509 6.704 1.00 0.00 O ATOM 1652 CB MET A 109 15.688 -12.318 8.824 1.00 0.00 C ATOM 1653 CG MET A 109 14.991 -10.957 8.771 1.00 0.00 C ATOM 1654 SD MET A 109 15.811 -9.508 8.039 1.00 0.00 S ATOM 1655 CE MET A 109 14.664 -8.480 9.001 1.00 0.00 C ATOM 0 H MET A 109 13.637 -13.681 8.183 1.00 0.00 H new ATOM 0 HA MET A 109 15.455 -12.264 6.721 1.00 0.00 H new ATOM 0 HB2 MET A 109 15.289 -12.914 9.645 1.00 0.00 H new ATOM 0 HB3 MET A 109 16.754 -12.189 9.013 1.00 0.00 H new ATOM 0 HG2 MET A 109 14.055 -11.099 8.231 1.00 0.00 H new ATOM 0 HG3 MET A 109 14.731 -10.692 9.796 1.00 0.00 H new ATOM 0 HE1 MET A 109 14.693 -7.456 8.628 1.00 0.00 H new ATOM 0 HE2 MET A 109 13.652 -8.874 8.903 1.00 0.00 H new ATOM 0 HE3 MET A 109 14.957 -8.492 10.051 1.00 0.00 H new ATOM 1665 N THR A 110 16.465 -15.283 7.429 1.00 0.00 N ATOM 1666 CA THR A 110 17.311 -16.376 7.061 1.00 0.00 C ATOM 1667 C THR A 110 17.304 -16.564 5.583 1.00 0.00 C ATOM 1668 O THR A 110 18.392 -16.761 5.045 1.00 0.00 O ATOM 1669 CB THR A 110 17.054 -17.660 7.794 1.00 0.00 C ATOM 1670 OG1 THR A 110 15.706 -18.088 7.916 1.00 0.00 O ATOM 1671 CG2 THR A 110 17.573 -17.379 9.214 1.00 0.00 C ATOM 0 H THR A 110 15.648 -15.623 7.936 1.00 0.00 H new ATOM 0 HA THR A 110 18.313 -16.092 7.383 1.00 0.00 H new ATOM 0 HB THR A 110 17.532 -18.460 7.229 1.00 0.00 H new ATOM 0 HG1 THR A 110 15.136 -17.546 7.331 1.00 0.00 H new ATOM 0 HG21 THR A 110 17.430 -18.263 9.835 1.00 0.00 H new ATOM 0 HG22 THR A 110 18.634 -17.133 9.172 1.00 0.00 H new ATOM 0 HG23 THR A 110 17.023 -16.541 9.643 1.00 0.00 H new ATOM 1679 N ASN A 111 16.200 -16.534 4.816 1.00 0.00 N ATOM 1680 CA ASN A 111 16.111 -16.575 3.389 1.00 0.00 C ATOM 1681 C ASN A 111 16.738 -15.421 2.685 1.00 0.00 C ATOM 1682 O ASN A 111 17.540 -15.498 1.756 1.00 0.00 O ATOM 1683 CB ASN A 111 14.594 -16.576 3.137 1.00 0.00 C ATOM 1684 CG ASN A 111 14.275 -16.761 1.661 1.00 0.00 C ATOM 1685 OD1 ASN A 111 14.170 -15.801 0.898 1.00 0.00 O ATOM 1686 ND2 ASN A 111 14.191 -18.018 1.149 1.00 0.00 N ATOM 0 H ASN A 111 15.275 -16.475 5.242 1.00 0.00 H new ATOM 0 HA ASN A 111 16.652 -17.438 3.001 1.00 0.00 H new ATOM 0 HB2 ASN A 111 14.129 -17.375 3.714 1.00 0.00 H new ATOM 0 HB3 ASN A 111 14.165 -15.638 3.488 1.00 0.00 H new ATOM 0 HD21 ASN A 111 14.043 -18.152 0.149 1.00 0.00 H new ATOM 0 HD22 ASN A 111 14.276 -18.826 1.765 1.00 0.00 H new ATOM 1693 N LEU A 112 16.518 -14.222 3.254 1.00 0.00 N ATOM 1694 CA LEU A 112 17.288 -13.040 3.018 1.00 0.00 C ATOM 1695 C LEU A 112 18.749 -13.145 3.290 1.00 0.00 C ATOM 1696 O LEU A 112 19.571 -12.719 2.480 1.00 0.00 O ATOM 1697 CB LEU A 112 16.727 -11.753 3.644 1.00 0.00 C ATOM 1698 CG LEU A 112 15.262 -11.398 3.336 1.00 0.00 C ATOM 1699 CD1 LEU A 112 14.686 -10.354 4.307 1.00 0.00 C ATOM 1700 CD2 LEU A 112 15.057 -10.960 1.876 1.00 0.00 C ATOM 0 H LEU A 112 15.758 -14.069 3.917 1.00 0.00 H new ATOM 0 HA LEU A 112 17.177 -12.955 1.937 1.00 0.00 H new ATOM 0 HB2 LEU A 112 16.835 -11.829 4.726 1.00 0.00 H new ATOM 0 HB3 LEU A 112 17.351 -10.920 3.319 1.00 0.00 H new ATOM 0 HG LEU A 112 14.702 -12.321 3.484 1.00 0.00 H new ATOM 0 HD11 LEU A 112 13.650 -10.143 4.041 1.00 0.00 H new ATOM 0 HD12 LEU A 112 14.728 -10.742 5.325 1.00 0.00 H new ATOM 0 HD13 LEU A 112 15.271 -9.437 4.244 1.00 0.00 H new ATOM 0 HD21 LEU A 112 14.006 -10.721 1.712 1.00 0.00 H new ATOM 0 HD22 LEU A 112 15.666 -10.079 1.671 1.00 0.00 H new ATOM 0 HD23 LEU A 112 15.354 -11.769 1.208 1.00 0.00 H new ATOM 1712 N GLY A 113 19.190 -13.684 4.441 1.00 0.00 N ATOM 1713 CA GLY A 113 20.585 -13.774 4.742 1.00 0.00 C ATOM 1714 C GLY A 113 21.111 -12.981 5.889 1.00 0.00 C ATOM 1715 O GLY A 113 22.254 -13.204 6.283 1.00 0.00 O ATOM 0 H GLY A 113 18.578 -14.059 5.166 1.00 0.00 H new ATOM 0 HA2 GLY A 113 20.819 -14.822 4.927 1.00 0.00 H new ATOM 0 HA3 GLY A 113 21.138 -13.477 3.851 1.00 0.00 H new ATOM 1719 N GLU A 114 20.335 -12.073 6.509 1.00 0.00 N ATOM 1720 CA GLU A 114 20.758 -11.392 7.693 1.00 0.00 C ATOM 1721 C GLU A 114 20.793 -12.196 8.946 1.00 0.00 C ATOM 1722 O GLU A 114 19.954 -13.079 9.118 1.00 0.00 O ATOM 1723 CB GLU A 114 19.744 -10.271 7.978 1.00 0.00 C ATOM 1724 CG GLU A 114 20.212 -9.119 8.870 1.00 0.00 C ATOM 1725 CD GLU A 114 21.404 -8.332 8.344 1.00 0.00 C ATOM 1726 OE1 GLU A 114 21.382 -7.807 7.198 1.00 0.00 O ATOM 1727 OE2 GLU A 114 22.348 -8.174 9.163 1.00 0.00 O ATOM 0 H GLU A 114 19.405 -11.809 6.185 1.00 0.00 H new ATOM 0 HA GLU A 114 21.779 -11.077 7.475 1.00 0.00 H new ATOM 0 HB2 GLU A 114 19.425 -9.852 7.023 1.00 0.00 H new ATOM 0 HB3 GLU A 114 18.864 -10.720 8.439 1.00 0.00 H new ATOM 0 HG2 GLU A 114 19.379 -8.431 9.014 1.00 0.00 H new ATOM 0 HG3 GLU A 114 20.467 -9.521 9.851 1.00 0.00 H new ATOM 1734 N LYS A 115 21.760 -11.952 9.849 1.00 0.00 N ATOM 1735 CA LYS A 115 21.976 -12.751 11.016 1.00 0.00 C ATOM 1736 C LYS A 115 21.285 -12.105 12.166 1.00 0.00 C ATOM 1737 O LYS A 115 21.632 -11.009 12.605 1.00 0.00 O ATOM 1738 CB LYS A 115 23.474 -12.985 11.278 1.00 0.00 C ATOM 1739 CG LYS A 115 24.098 -13.889 10.213 1.00 0.00 C ATOM 1740 CD LYS A 115 25.587 -14.097 10.496 1.00 0.00 C ATOM 1741 CE LYS A 115 26.470 -13.013 9.875 1.00 0.00 C ATOM 1742 NZ LYS A 115 26.352 -12.783 8.418 1.00 0.00 N ATOM 0 H LYS A 115 22.413 -11.173 9.764 1.00 0.00 H new ATOM 0 HA LYS A 115 21.552 -13.744 10.866 1.00 0.00 H new ATOM 0 HB2 LYS A 115 23.995 -12.028 11.294 1.00 0.00 H new ATOM 0 HB3 LYS A 115 23.606 -13.436 12.261 1.00 0.00 H new ATOM 0 HG2 LYS A 115 23.586 -14.851 10.198 1.00 0.00 H new ATOM 0 HG3 LYS A 115 23.967 -13.444 9.227 1.00 0.00 H new ATOM 0 HD2 LYS A 115 25.747 -14.115 11.574 1.00 0.00 H new ATOM 0 HD3 LYS A 115 25.892 -15.070 10.112 1.00 0.00 H new ATOM 0 HE2 LYS A 115 26.254 -12.073 10.382 1.00 0.00 H new ATOM 0 HE3 LYS A 115 27.509 -13.261 10.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 27.163 -12.221 8.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 26.340 -13.697 7.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 25.470 -12.269 8.218 1.00 0.00 H new ATOM 1756 N LEU A 116 20.288 -12.752 12.797 1.00 0.00 N ATOM 1757 CA LEU A 116 19.579 -12.210 13.914 1.00 0.00 C ATOM 1758 C LEU A 116 19.336 -13.280 14.921 1.00 0.00 C ATOM 1759 O LEU A 116 19.106 -14.439 14.581 1.00 0.00 O ATOM 1760 CB LEU A 116 18.176 -11.667 13.594 1.00 0.00 C ATOM 1761 CG LEU A 116 18.051 -10.468 12.639 1.00 0.00 C ATOM 1762 CD1 LEU A 116 16.675 -10.371 11.960 1.00 0.00 C ATOM 1763 CD2 LEU A 116 18.395 -9.143 13.341 1.00 0.00 C ATOM 0 H LEU A 116 19.966 -13.680 12.521 1.00 0.00 H new ATOM 0 HA LEU A 116 20.214 -11.394 14.257 1.00 0.00 H new ATOM 0 HB2 LEU A 116 17.592 -12.486 13.175 1.00 0.00 H new ATOM 0 HB3 LEU A 116 17.705 -11.389 14.537 1.00 0.00 H new ATOM 0 HG LEU A 116 18.782 -10.647 11.851 1.00 0.00 H new ATOM 0 HD11 LEU A 116 16.655 -9.504 11.300 1.00 0.00 H new ATOM 0 HD12 LEU A 116 16.492 -11.274 11.378 1.00 0.00 H new ATOM 0 HD13 LEU A 116 15.901 -10.266 12.720 1.00 0.00 H new ATOM 0 HD21 LEU A 116 18.295 -8.320 12.634 1.00 0.00 H new ATOM 0 HD22 LEU A 116 17.714 -8.987 14.178 1.00 0.00 H new ATOM 0 HD23 LEU A 116 19.420 -9.182 13.710 1.00 0.00 H new ATOM 1775 N THR A 117 19.328 -12.858 16.198 1.00 0.00 N ATOM 1776 CA THR A 117 18.988 -13.703 17.301 1.00 0.00 C ATOM 1777 C THR A 117 17.673 -13.277 17.855 1.00 0.00 C ATOM 1778 O THR A 117 17.046 -12.322 17.400 1.00 0.00 O ATOM 1779 CB THR A 117 19.989 -13.584 18.412 1.00 0.00 C ATOM 1780 OG1 THR A 117 20.165 -12.234 18.816 1.00 0.00 O ATOM 1781 CG2 THR A 117 21.368 -14.075 17.941 1.00 0.00 C ATOM 0 H THR A 117 19.564 -11.904 16.471 1.00 0.00 H new ATOM 0 HA THR A 117 18.964 -14.729 16.934 1.00 0.00 H new ATOM 0 HB THR A 117 19.606 -14.182 19.239 1.00 0.00 H new ATOM 0 HG1 THR A 117 20.731 -11.769 18.165 1.00 0.00 H new ATOM 0 HG21 THR A 117 22.085 -13.983 18.757 1.00 0.00 H new ATOM 0 HG22 THR A 117 21.298 -15.119 17.635 1.00 0.00 H new ATOM 0 HG23 THR A 117 21.700 -13.471 17.096 1.00 0.00 H new ATOM 1789 N ASP A 118 17.059 -14.079 18.744 1.00 0.00 N ATOM 1790 CA ASP A 118 15.761 -13.879 19.310 1.00 0.00 C ATOM 1791 C ASP A 118 15.510 -12.511 19.846 1.00 0.00 C ATOM 1792 O ASP A 118 14.386 -12.013 19.818 1.00 0.00 O ATOM 1793 CB ASP A 118 15.562 -14.966 20.379 1.00 0.00 C ATOM 1794 CG ASP A 118 15.063 -16.285 19.806 1.00 0.00 C ATOM 1795 OD1 ASP A 118 15.704 -16.882 18.900 1.00 0.00 O ATOM 1796 OD2 ASP A 118 13.890 -16.648 20.086 1.00 0.00 O ATOM 0 H ASP A 118 17.504 -14.929 19.091 1.00 0.00 H new ATOM 0 HA ASP A 118 15.023 -13.965 18.512 1.00 0.00 H new ATOM 0 HB2 ASP A 118 16.507 -15.136 20.896 1.00 0.00 H new ATOM 0 HB3 ASP A 118 14.851 -14.608 21.124 1.00 0.00 H new ATOM 1801 N GLU A 119 16.546 -11.864 20.409 1.00 0.00 N ATOM 1802 CA GLU A 119 16.499 -10.540 20.947 1.00 0.00 C ATOM 1803 C GLU A 119 16.442 -9.434 19.950 1.00 0.00 C ATOM 1804 O GLU A 119 15.736 -8.430 20.037 1.00 0.00 O ATOM 1805 CB GLU A 119 17.757 -10.261 21.786 1.00 0.00 C ATOM 1806 CG GLU A 119 17.655 -11.026 23.108 1.00 0.00 C ATOM 1807 CD GLU A 119 18.917 -10.913 23.951 1.00 0.00 C ATOM 1808 OE1 GLU A 119 19.897 -10.252 23.515 1.00 0.00 O ATOM 1809 OE2 GLU A 119 18.843 -11.195 25.177 1.00 0.00 O ATOM 0 H GLU A 119 17.469 -12.290 20.493 1.00 0.00 H new ATOM 0 HA GLU A 119 15.570 -10.537 21.518 1.00 0.00 H new ATOM 0 HB2 GLU A 119 18.649 -10.569 21.241 1.00 0.00 H new ATOM 0 HB3 GLU A 119 17.853 -9.192 21.976 1.00 0.00 H new ATOM 0 HG2 GLU A 119 16.807 -10.647 23.678 1.00 0.00 H new ATOM 0 HG3 GLU A 119 17.455 -12.077 22.900 1.00 0.00 H new ATOM 1816 N GLU A 120 17.106 -9.723 18.817 1.00 0.00 N ATOM 1817 CA GLU A 120 17.210 -8.854 17.685 1.00 0.00 C ATOM 1818 C GLU A 120 15.923 -8.765 16.940 1.00 0.00 C ATOM 1819 O GLU A 120 15.377 -7.711 16.618 1.00 0.00 O ATOM 1820 CB GLU A 120 18.488 -9.143 16.879 1.00 0.00 C ATOM 1821 CG GLU A 120 19.753 -8.944 17.715 1.00 0.00 C ATOM 1822 CD GLU A 120 21.030 -9.410 17.031 1.00 0.00 C ATOM 1823 OE1 GLU A 120 21.285 -10.642 16.964 1.00 0.00 O ATOM 1824 OE2 GLU A 120 21.667 -8.569 16.342 1.00 0.00 O ATOM 0 H GLU A 120 17.595 -10.608 18.683 1.00 0.00 H new ATOM 0 HA GLU A 120 17.358 -7.825 18.011 1.00 0.00 H new ATOM 0 HB2 GLU A 120 18.457 -10.167 16.507 1.00 0.00 H new ATOM 0 HB3 GLU A 120 18.523 -8.488 16.008 1.00 0.00 H new ATOM 0 HG2 GLU A 120 19.850 -7.887 17.961 1.00 0.00 H new ATOM 0 HG3 GLU A 120 19.641 -9.481 18.657 1.00 0.00 H new ATOM 1831 N VAL A 121 15.321 -9.943 16.699 1.00 0.00 N ATOM 1832 CA VAL A 121 14.036 -10.104 16.091 1.00 0.00 C ATOM 1833 C VAL A 121 13.035 -9.348 16.894 1.00 0.00 C ATOM 1834 O VAL A 121 12.201 -8.592 16.398 1.00 0.00 O ATOM 1835 CB VAL A 121 13.573 -11.527 15.996 1.00 0.00 C ATOM 1836 CG1 VAL A 121 12.260 -11.655 15.205 1.00 0.00 C ATOM 1837 CG2 VAL A 121 14.523 -12.518 15.303 1.00 0.00 C ATOM 0 H VAL A 121 15.756 -10.833 16.942 1.00 0.00 H new ATOM 0 HA VAL A 121 14.130 -9.732 15.071 1.00 0.00 H new ATOM 0 HB VAL A 121 13.488 -11.786 17.051 1.00 0.00 H new ATOM 0 HG11 VAL A 121 11.962 -12.703 15.161 1.00 0.00 H new ATOM 0 HG12 VAL A 121 11.480 -11.076 15.699 1.00 0.00 H new ATOM 0 HG13 VAL A 121 12.406 -11.277 14.193 1.00 0.00 H new ATOM 0 HG21 VAL A 121 14.073 -13.511 15.299 1.00 0.00 H new ATOM 0 HG22 VAL A 121 14.700 -12.196 14.277 1.00 0.00 H new ATOM 0 HG23 VAL A 121 15.470 -12.551 15.841 1.00 0.00 H new ATOM 1847 N ASP A 122 13.070 -9.488 18.231 1.00 0.00 N ATOM 1848 CA ASP A 122 12.167 -8.835 19.128 1.00 0.00 C ATOM 1849 C ASP A 122 12.253 -7.348 19.155 1.00 0.00 C ATOM 1850 O ASP A 122 11.273 -6.616 19.290 1.00 0.00 O ATOM 1851 CB ASP A 122 12.352 -9.454 20.524 1.00 0.00 C ATOM 1852 CG ASP A 122 11.176 -9.281 21.475 1.00 0.00 C ATOM 1853 OD1 ASP A 122 10.761 -8.152 21.849 1.00 0.00 O ATOM 1854 OD2 ASP A 122 10.652 -10.331 21.935 1.00 0.00 O ATOM 0 H ASP A 122 13.753 -10.078 18.706 1.00 0.00 H new ATOM 0 HA ASP A 122 11.157 -9.009 18.755 1.00 0.00 H new ATOM 0 HB2 ASP A 122 12.550 -10.520 20.407 1.00 0.00 H new ATOM 0 HB3 ASP A 122 13.237 -9.014 20.984 1.00 0.00 H new ATOM 1859 N GLU A 123 13.477 -6.809 19.011 1.00 0.00 N ATOM 1860 CA GLU A 123 13.684 -5.419 18.748 1.00 0.00 C ATOM 1861 C GLU A 123 13.038 -4.945 17.492 1.00 0.00 C ATOM 1862 O GLU A 123 12.308 -3.955 17.499 1.00 0.00 O ATOM 1863 CB GLU A 123 15.166 -5.015 18.815 1.00 0.00 C ATOM 1864 CG GLU A 123 15.446 -3.512 18.879 1.00 0.00 C ATOM 1865 CD GLU A 123 16.919 -3.205 19.110 1.00 0.00 C ATOM 1866 OE1 GLU A 123 17.485 -3.280 20.233 1.00 0.00 O ATOM 1867 OE2 GLU A 123 17.503 -2.631 18.153 1.00 0.00 O ATOM 0 H GLU A 123 14.339 -7.349 19.079 1.00 0.00 H new ATOM 0 HA GLU A 123 13.175 -4.902 19.561 1.00 0.00 H new ATOM 0 HB2 GLU A 123 15.612 -5.486 19.691 1.00 0.00 H new ATOM 0 HB3 GLU A 123 15.674 -5.423 17.941 1.00 0.00 H new ATOM 0 HG2 GLU A 123 15.122 -3.045 17.949 1.00 0.00 H new ATOM 0 HG3 GLU A 123 14.855 -3.069 19.681 1.00 0.00 H new ATOM 1874 N MET A 124 13.220 -5.657 16.365 1.00 0.00 N ATOM 1875 CA MET A 124 12.749 -5.180 15.102 1.00 0.00 C ATOM 1876 C MET A 124 11.266 -5.323 15.084 1.00 0.00 C ATOM 1877 O MET A 124 10.633 -4.516 14.405 1.00 0.00 O ATOM 1878 CB MET A 124 13.445 -5.968 13.980 1.00 0.00 C ATOM 1879 CG MET A 124 14.960 -5.785 13.871 1.00 0.00 C ATOM 1880 SD MET A 124 15.760 -6.574 12.442 1.00 0.00 S ATOM 1881 CE MET A 124 14.979 -5.588 11.132 1.00 0.00 C ATOM 0 H MET A 124 13.692 -6.560 16.328 1.00 0.00 H new ATOM 0 HA MET A 124 12.987 -4.128 14.944 1.00 0.00 H new ATOM 0 HB2 MET A 124 13.237 -7.028 14.125 1.00 0.00 H new ATOM 0 HB3 MET A 124 12.995 -5.682 13.029 1.00 0.00 H new ATOM 0 HG2 MET A 124 15.175 -4.717 13.838 1.00 0.00 H new ATOM 0 HG3 MET A 124 15.419 -6.175 14.780 1.00 0.00 H new ATOM 0 HE1 MET A 124 15.574 -5.656 10.221 1.00 0.00 H new ATOM 0 HE2 MET A 124 13.976 -5.968 10.939 1.00 0.00 H new ATOM 0 HE3 MET A 124 14.918 -4.547 11.448 1.00 0.00 H new ATOM 1891 N ILE A 125 10.648 -6.286 15.791 1.00 0.00 N ATOM 1892 CA ILE A 125 9.248 -6.259 16.080 1.00 0.00 C ATOM 1893 C ILE A 125 8.873 -5.078 16.907 1.00 0.00 C ATOM 1894 O ILE A 125 8.097 -4.193 16.548 1.00 0.00 O ATOM 1895 CB ILE A 125 8.751 -7.499 16.761 1.00 0.00 C ATOM 1896 CG1 ILE A 125 8.859 -8.692 15.796 1.00 0.00 C ATOM 1897 CG2 ILE A 125 7.278 -7.371 17.182 1.00 0.00 C ATOM 1898 CD1 ILE A 125 8.040 -8.770 14.508 1.00 0.00 C ATOM 0 H ILE A 125 11.131 -7.100 16.170 1.00 0.00 H new ATOM 0 HA ILE A 125 8.769 -6.195 15.103 1.00 0.00 H new ATOM 0 HB ILE A 125 9.364 -7.647 17.650 1.00 0.00 H new ATOM 0 HG12 ILE A 125 9.907 -8.768 15.507 1.00 0.00 H new ATOM 0 HG13 ILE A 125 8.622 -9.586 16.373 1.00 0.00 H new ATOM 0 HG21 ILE A 125 6.958 -8.291 17.671 1.00 0.00 H new ATOM 0 HG22 ILE A 125 7.168 -6.535 17.873 1.00 0.00 H new ATOM 0 HG23 ILE A 125 6.661 -7.196 16.300 1.00 0.00 H new ATOM 0 HD11 ILE A 125 8.275 -9.696 13.983 1.00 0.00 H new ATOM 0 HD12 ILE A 125 6.978 -8.750 14.751 1.00 0.00 H new ATOM 0 HD13 ILE A 125 8.283 -7.920 13.870 1.00 0.00 H new ATOM 1910 N ARG A 126 9.473 -4.891 18.096 1.00 0.00 N ATOM 1911 CA ARG A 126 9.187 -3.802 18.978 1.00 0.00 C ATOM 1912 C ARG A 126 9.286 -2.437 18.389 1.00 0.00 C ATOM 1913 O ARG A 126 8.668 -1.492 18.877 1.00 0.00 O ATOM 1914 CB ARG A 126 10.010 -3.923 20.272 1.00 0.00 C ATOM 1915 CG ARG A 126 9.593 -3.039 21.449 1.00 0.00 C ATOM 1916 CD ARG A 126 8.309 -3.366 22.215 1.00 0.00 C ATOM 1917 NE ARG A 126 7.130 -2.840 21.471 1.00 0.00 N ATOM 1918 CZ ARG A 126 5.998 -3.512 21.111 1.00 0.00 C ATOM 1919 NH1 ARG A 126 6.018 -4.857 20.876 1.00 0.00 N ATOM 1920 NH2 ARG A 126 4.884 -2.804 20.764 1.00 0.00 N ATOM 0 H ARG A 126 10.186 -5.524 18.458 1.00 0.00 H new ATOM 0 HA ARG A 126 8.126 -3.903 19.204 1.00 0.00 H new ATOM 0 HB2 ARG A 126 9.974 -4.962 20.600 1.00 0.00 H new ATOM 0 HB3 ARG A 126 11.050 -3.700 20.033 1.00 0.00 H new ATOM 0 HG2 ARG A 126 10.413 -3.043 22.167 1.00 0.00 H new ATOM 0 HG3 ARG A 126 9.501 -2.019 21.076 1.00 0.00 H new ATOM 0 HD2 ARG A 126 8.217 -4.444 22.345 1.00 0.00 H new ATOM 0 HD3 ARG A 126 8.347 -2.927 23.212 1.00 0.00 H new ATOM 0 HE ARG A 126 7.174 -1.858 21.198 1.00 0.00 H new ATOM 0 HH11 ARG A 126 6.890 -5.378 20.969 1.00 0.00 H new ATOM 0 HH12 ARG A 126 5.161 -5.341 20.608 1.00 0.00 H new ATOM 0 HH21 ARG A 126 4.904 -1.784 20.776 1.00 0.00 H new ATOM 0 HH22 ARG A 126 4.032 -3.295 20.493 1.00 0.00 H new ATOM 1934 N GLU A 127 10.135 -2.169 17.380 1.00 0.00 N ATOM 1935 CA GLU A 127 10.324 -0.962 16.638 1.00 0.00 C ATOM 1936 C GLU A 127 9.168 -0.694 15.737 1.00 0.00 C ATOM 1937 O GLU A 127 8.650 0.421 15.694 1.00 0.00 O ATOM 1938 CB GLU A 127 11.703 -0.973 15.956 1.00 0.00 C ATOM 1939 CG GLU A 127 12.574 0.098 16.616 1.00 0.00 C ATOM 1940 CD GLU A 127 12.116 1.519 16.318 1.00 0.00 C ATOM 1941 OE1 GLU A 127 11.940 1.878 15.124 1.00 0.00 O ATOM 1942 OE2 GLU A 127 11.910 2.305 17.281 1.00 0.00 O ATOM 0 H GLU A 127 10.768 -2.896 17.046 1.00 0.00 H new ATOM 0 HA GLU A 127 10.339 -0.106 17.312 1.00 0.00 H new ATOM 0 HB2 GLU A 127 12.168 -1.954 16.055 1.00 0.00 H new ATOM 0 HB3 GLU A 127 11.601 -0.775 14.889 1.00 0.00 H new ATOM 0 HG2 GLU A 127 12.573 -0.057 17.695 1.00 0.00 H new ATOM 0 HG3 GLU A 127 13.603 -0.022 16.278 1.00 0.00 H new ATOM 1949 N ALA A 128 8.735 -1.721 14.985 1.00 0.00 N ATOM 1950 CA ALA A 128 7.569 -1.662 14.159 1.00 0.00 C ATOM 1951 C ALA A 128 6.242 -1.736 14.832 1.00 0.00 C ATOM 1952 O ALA A 128 5.248 -1.210 14.334 1.00 0.00 O ATOM 1953 CB ALA A 128 7.642 -2.864 13.203 1.00 0.00 C ATOM 0 H ALA A 128 9.212 -2.622 14.950 1.00 0.00 H new ATOM 0 HA ALA A 128 7.601 -0.675 13.698 1.00 0.00 H new ATOM 0 HB1 ALA A 128 6.770 -2.862 12.549 1.00 0.00 H new ATOM 0 HB2 ALA A 128 8.547 -2.795 12.600 1.00 0.00 H new ATOM 0 HB3 ALA A 128 7.661 -3.788 13.781 1.00 0.00 H new ATOM 1959 N ASP A 129 6.126 -2.395 15.999 1.00 0.00 N ATOM 1960 CA ASP A 129 4.866 -2.742 16.580 1.00 0.00 C ATOM 1961 C ASP A 129 4.396 -1.539 17.324 1.00 0.00 C ATOM 1962 O ASP A 129 5.178 -0.939 18.059 1.00 0.00 O ATOM 1963 CB ASP A 129 4.845 -4.043 17.400 1.00 0.00 C ATOM 1964 CG ASP A 129 3.507 -4.323 18.070 1.00 0.00 C ATOM 1965 OD1 ASP A 129 2.389 -4.159 17.512 1.00 0.00 O ATOM 1966 OD2 ASP A 129 3.573 -4.599 19.298 1.00 0.00 O ATOM 0 H ASP A 129 6.929 -2.694 16.553 1.00 0.00 H new ATOM 0 HA ASP A 129 4.166 -3.001 15.786 1.00 0.00 H new ATOM 0 HB2 ASP A 129 5.096 -4.878 16.746 1.00 0.00 H new ATOM 0 HB3 ASP A 129 5.621 -3.993 18.164 1.00 0.00 H new ATOM 1971 N ILE A 130 3.111 -1.195 17.127 1.00 0.00 N ATOM 1972 CA ILE A 130 2.541 -0.008 17.684 1.00 0.00 C ATOM 1973 C ILE A 130 1.789 -0.403 18.908 1.00 0.00 C ATOM 1974 O ILE A 130 2.119 0.083 19.989 1.00 0.00 O ATOM 1975 CB ILE A 130 1.878 0.834 16.635 1.00 0.00 C ATOM 1976 CG1 ILE A 130 2.856 1.397 15.590 1.00 0.00 C ATOM 1977 CG2 ILE A 130 1.130 1.932 17.410 1.00 0.00 C ATOM 1978 CD1 ILE A 130 2.193 2.112 14.413 1.00 0.00 C ATOM 0 H ILE A 130 2.458 -1.749 16.573 1.00 0.00 H new ATOM 0 HA ILE A 130 3.278 0.710 18.044 1.00 0.00 H new ATOM 0 HB ILE A 130 1.196 0.236 16.031 1.00 0.00 H new ATOM 0 HG12 ILE A 130 3.534 2.093 16.085 1.00 0.00 H new ATOM 0 HG13 ILE A 130 3.464 0.579 15.204 1.00 0.00 H new ATOM 0 HG21 ILE A 130 0.619 2.590 16.707 1.00 0.00 H new ATOM 0 HG22 ILE A 130 0.399 1.474 18.076 1.00 0.00 H new ATOM 0 HG23 ILE A 130 1.842 2.512 17.997 1.00 0.00 H new ATOM 0 HD11 ILE A 130 2.960 2.475 13.729 1.00 0.00 H new ATOM 0 HD12 ILE A 130 1.537 1.417 13.888 1.00 0.00 H new ATOM 0 HD13 ILE A 130 1.608 2.954 14.782 1.00 0.00 H new ATOM 1990 N ASP A 131 0.657 -1.099 18.700 1.00 0.00 N ATOM 1991 CA ASP A 131 -0.386 -1.334 19.650 1.00 0.00 C ATOM 1992 C ASP A 131 0.050 -2.155 20.814 1.00 0.00 C ATOM 1993 O ASP A 131 -0.138 -1.713 21.946 1.00 0.00 O ATOM 1994 CB ASP A 131 -1.707 -1.797 19.013 1.00 0.00 C ATOM 1995 CG ASP A 131 -1.846 -3.272 18.665 1.00 0.00 C ATOM 1996 OD1 ASP A 131 -0.800 -3.945 18.467 1.00 0.00 O ATOM 1997 OD2 ASP A 131 -3.043 -3.664 18.709 1.00 0.00 O ATOM 0 H ASP A 131 0.457 -1.530 17.798 1.00 0.00 H new ATOM 0 HA ASP A 131 -0.618 -0.356 20.072 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -2.517 -1.535 19.693 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -1.859 -1.221 18.100 1.00 0.00 H new ATOM 2002 N GLY A 132 0.772 -3.267 20.583 1.00 0.00 N ATOM 2003 CA GLY A 132 1.471 -3.863 21.678 1.00 0.00 C ATOM 2004 C GLY A 132 1.165 -5.316 21.803 1.00 0.00 C ATOM 2005 O GLY A 132 1.564 -5.934 22.789 1.00 0.00 O ATOM 0 H GLY A 132 0.870 -3.735 19.682 1.00 0.00 H new ATOM 0 HA2 GLY A 132 2.544 -3.728 21.542 1.00 0.00 H new ATOM 0 HA3 GLY A 132 1.201 -3.353 22.603 1.00 0.00 H new ATOM 2009 N ASP A 133 0.653 -5.902 20.706 1.00 0.00 N ATOM 2010 CA ASP A 133 0.377 -7.293 20.521 1.00 0.00 C ATOM 2011 C ASP A 133 1.624 -8.027 20.166 1.00 0.00 C ATOM 2012 O ASP A 133 1.703 -9.254 20.177 1.00 0.00 O ATOM 2013 CB ASP A 133 -0.794 -7.672 19.598 1.00 0.00 C ATOM 2014 CG ASP A 133 -0.730 -7.311 18.121 1.00 0.00 C ATOM 2015 OD1 ASP A 133 0.341 -6.857 17.636 1.00 0.00 O ATOM 2016 OD2 ASP A 133 -1.705 -7.482 17.341 1.00 0.00 O ATOM 0 H ASP A 133 0.412 -5.355 19.880 1.00 0.00 H new ATOM 0 HA ASP A 133 0.008 -7.614 21.495 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -0.927 -8.752 19.665 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -1.694 -7.214 20.008 1.00 0.00 H new ATOM 2021 N GLY A 134 2.727 -7.414 19.700 1.00 0.00 N ATOM 2022 CA GLY A 134 3.881 -8.144 19.274 1.00 0.00 C ATOM 2023 C GLY A 134 3.851 -8.558 17.843 1.00 0.00 C ATOM 2024 O GLY A 134 4.729 -9.258 17.340 1.00 0.00 O ATOM 0 H GLY A 134 2.820 -6.402 19.618 1.00 0.00 H new ATOM 0 HA2 GLY A 134 4.767 -7.532 19.445 1.00 0.00 H new ATOM 0 HA3 GLY A 134 3.984 -9.034 19.895 1.00 0.00 H new ATOM 2028 N GLN A 135 2.722 -8.352 17.143 1.00 0.00 N ATOM 2029 CA GLN A 135 2.530 -8.673 15.762 1.00 0.00 C ATOM 2030 C GLN A 135 2.520 -7.394 14.997 1.00 0.00 C ATOM 2031 O GLN A 135 2.060 -6.379 15.517 1.00 0.00 O ATOM 2032 CB GLN A 135 1.248 -9.467 15.462 1.00 0.00 C ATOM 2033 CG GLN A 135 1.426 -10.920 15.904 1.00 0.00 C ATOM 2034 CD GLN A 135 0.475 -11.882 15.205 1.00 0.00 C ATOM 2035 OE1 GLN A 135 0.945 -12.834 14.585 1.00 0.00 O ATOM 2036 NE2 GLN A 135 -0.812 -11.444 15.168 1.00 0.00 N ATOM 0 H GLN A 135 1.893 -7.936 17.567 1.00 0.00 H new ATOM 0 HA GLN A 135 3.348 -9.329 15.465 1.00 0.00 H new ATOM 0 HB2 GLN A 135 0.401 -9.020 15.983 1.00 0.00 H new ATOM 0 HB3 GLN A 135 1.024 -9.426 14.396 1.00 0.00 H new ATOM 0 HG2 GLN A 135 2.453 -11.229 15.709 1.00 0.00 H new ATOM 0 HG3 GLN A 135 1.273 -10.986 16.981 1.00 0.00 H new ATOM 0 HE21 GLN A 135 -1.093 -10.639 15.728 1.00 0.00 H new ATOM 0 HE22 GLN A 135 -1.496 -11.921 14.581 1.00 0.00 H new ATOM 2045 N VAL A 136 3.022 -7.430 13.749 1.00 0.00 N ATOM 2046 CA VAL A 136 3.161 -6.262 12.937 1.00 0.00 C ATOM 2047 C VAL A 136 2.075 -6.365 11.921 1.00 0.00 C ATOM 2048 O VAL A 136 2.031 -7.263 11.082 1.00 0.00 O ATOM 2049 CB VAL A 136 4.550 -6.045 12.414 1.00 0.00 C ATOM 2050 CG1 VAL A 136 4.640 -4.769 11.561 1.00 0.00 C ATOM 2051 CG2 VAL A 136 5.558 -5.952 13.572 1.00 0.00 C ATOM 0 H VAL A 136 3.337 -8.288 13.296 1.00 0.00 H new ATOM 0 HA VAL A 136 3.037 -5.343 13.510 1.00 0.00 H new ATOM 0 HB VAL A 136 4.794 -6.902 11.786 1.00 0.00 H new ATOM 0 HG11 VAL A 136 5.661 -4.644 11.199 1.00 0.00 H new ATOM 0 HG12 VAL A 136 3.961 -4.850 10.712 1.00 0.00 H new ATOM 0 HG13 VAL A 136 4.362 -3.906 12.166 1.00 0.00 H new ATOM 0 HG21 VAL A 136 6.559 -5.795 13.171 1.00 0.00 H new ATOM 0 HG22 VAL A 136 5.291 -5.117 14.220 1.00 0.00 H new ATOM 0 HG23 VAL A 136 5.539 -6.878 14.146 1.00 0.00 H new ATOM 2061 N ASN A 137 1.032 -5.522 12.021 1.00 0.00 N ATOM 2062 CA ASN A 137 0.061 -5.383 10.981 1.00 0.00 C ATOM 2063 C ASN A 137 0.540 -4.495 9.884 1.00 0.00 C ATOM 2064 O ASN A 137 1.593 -3.864 9.948 1.00 0.00 O ATOM 2065 CB ASN A 137 -1.408 -5.236 11.415 1.00 0.00 C ATOM 2066 CG ASN A 137 -1.910 -3.812 11.608 1.00 0.00 C ATOM 2067 OD1 ASN A 137 -2.004 -2.997 10.691 1.00 0.00 O ATOM 2068 ND2 ASN A 137 -2.457 -3.603 12.834 1.00 0.00 N ATOM 0 H ASN A 137 0.860 -4.930 12.833 1.00 0.00 H new ATOM 0 HA ASN A 137 -0.015 -6.371 10.526 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -2.036 -5.723 10.669 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -1.545 -5.778 12.351 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -2.971 -2.742 13.023 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -2.354 -4.307 13.565 1.00 0.00 H new ATOM 2075 N TYR A 138 -0.215 -4.405 8.774 1.00 0.00 N ATOM 2076 CA TYR A 138 0.036 -3.623 7.603 1.00 0.00 C ATOM 2077 C TYR A 138 0.494 -2.242 7.922 1.00 0.00 C ATOM 2078 O TYR A 138 1.631 -1.898 7.600 1.00 0.00 O ATOM 2079 CB TYR A 138 -1.134 -3.592 6.605 1.00 0.00 C ATOM 2080 CG TYR A 138 -0.689 -3.208 5.236 1.00 0.00 C ATOM 2081 CD1 TYR A 138 0.293 -3.947 4.620 1.00 0.00 C ATOM 2082 CD2 TYR A 138 -0.972 -1.940 4.784 1.00 0.00 C ATOM 2083 CE1 TYR A 138 0.857 -3.471 3.460 1.00 0.00 C ATOM 2084 CE2 TYR A 138 -0.347 -1.431 3.671 1.00 0.00 C ATOM 2085 CZ TYR A 138 0.570 -2.207 3.001 1.00 0.00 C ATOM 2086 OH TYR A 138 1.214 -1.834 1.803 1.00 0.00 O ATOM 0 H TYR A 138 -1.085 -4.932 8.691 1.00 0.00 H new ATOM 0 HA TYR A 138 0.853 -4.144 7.104 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -1.607 -4.573 6.571 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -1.888 -2.886 6.952 1.00 0.00 H new ATOM 0 HD1 TYR A 138 0.617 -4.887 5.041 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -1.696 -1.336 5.311 1.00 0.00 H new ATOM 0 HE1 TYR A 138 1.535 -4.099 2.901 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -0.573 -0.433 3.326 1.00 0.00 H new ATOM 0 HH TYR A 138 0.947 -0.923 1.558 1.00 0.00 H new ATOM 2096 N GLU A 139 -0.347 -1.422 8.578 1.00 0.00 N ATOM 2097 CA GLU A 139 -0.128 -0.053 8.928 1.00 0.00 C ATOM 2098 C GLU A 139 1.116 0.118 9.730 1.00 0.00 C ATOM 2099 O GLU A 139 1.900 1.039 9.506 1.00 0.00 O ATOM 2100 CB GLU A 139 -1.308 0.563 9.698 1.00 0.00 C ATOM 2101 CG GLU A 139 -1.239 2.091 9.728 1.00 0.00 C ATOM 2102 CD GLU A 139 -2.369 2.668 10.570 1.00 0.00 C ATOM 2103 OE1 GLU A 139 -2.809 1.955 11.510 1.00 0.00 O ATOM 2104 OE2 GLU A 139 -2.942 3.754 10.290 1.00 0.00 O ATOM 0 H GLU A 139 -1.261 -1.749 8.890 1.00 0.00 H new ATOM 0 HA GLU A 139 -0.026 0.475 7.980 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -2.245 0.252 9.235 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -1.314 0.180 10.719 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -0.279 2.408 10.134 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -1.300 2.482 8.712 1.00 0.00 H new ATOM 2111 N GLU A 140 1.274 -0.764 10.733 1.00 0.00 N ATOM 2112 CA GLU A 140 2.397 -0.733 11.617 1.00 0.00 C ATOM 2113 C GLU A 140 3.693 -0.809 10.885 1.00 0.00 C ATOM 2114 O GLU A 140 4.594 -0.032 11.197 1.00 0.00 O ATOM 2115 CB GLU A 140 2.216 -1.754 12.753 1.00 0.00 C ATOM 2116 CG GLU A 140 0.852 -1.650 13.439 1.00 0.00 C ATOM 2117 CD GLU A 140 0.818 -2.651 14.585 1.00 0.00 C ATOM 2118 OE1 GLU A 140 0.749 -3.879 14.309 1.00 0.00 O ATOM 2119 OE2 GLU A 140 0.806 -2.315 15.799 1.00 0.00 O ATOM 0 H GLU A 140 0.610 -1.512 10.934 1.00 0.00 H new ATOM 0 HA GLU A 140 2.441 0.240 12.107 1.00 0.00 H new ATOM 0 HB2 GLU A 140 2.339 -2.760 12.353 1.00 0.00 H new ATOM 0 HB3 GLU A 140 3.001 -1.607 13.494 1.00 0.00 H new ATOM 0 HG2 GLU A 140 0.691 -0.639 13.813 1.00 0.00 H new ATOM 0 HG3 GLU A 140 0.052 -1.859 12.728 1.00 0.00 H new ATOM 2126 N PHE A 141 3.785 -1.749 9.927 1.00 0.00 N ATOM 2127 CA PHE A 141 4.934 -1.960 9.101 1.00 0.00 C ATOM 2128 C PHE A 141 5.201 -0.794 8.213 1.00 0.00 C ATOM 2129 O PHE A 141 6.286 -0.216 8.254 1.00 0.00 O ATOM 2130 CB PHE A 141 4.676 -3.224 8.263 1.00 0.00 C ATOM 2131 CG PHE A 141 5.826 -3.690 7.438 1.00 0.00 C ATOM 2132 CD1 PHE A 141 6.787 -4.555 7.905 1.00 0.00 C ATOM 2133 CD2 PHE A 141 5.929 -3.214 6.152 1.00 0.00 C ATOM 2134 CE1 PHE A 141 7.754 -5.043 7.058 1.00 0.00 C ATOM 2135 CE2 PHE A 141 6.900 -3.646 5.279 1.00 0.00 C ATOM 2136 CZ PHE A 141 7.820 -4.536 5.781 1.00 0.00 C ATOM 0 H PHE A 141 3.022 -2.393 9.718 1.00 0.00 H new ATOM 0 HA PHE A 141 5.817 -2.081 9.729 1.00 0.00 H new ATOM 0 HB2 PHE A 141 4.382 -4.031 8.934 1.00 0.00 H new ATOM 0 HB3 PHE A 141 3.830 -3.035 7.602 1.00 0.00 H new ATOM 0 HD1 PHE A 141 6.782 -4.853 8.943 1.00 0.00 H new ATOM 0 HD2 PHE A 141 5.220 -2.472 5.815 1.00 0.00 H new ATOM 0 HE1 PHE A 141 8.445 -5.805 7.387 1.00 0.00 H new ATOM 0 HE2 PHE A 141 6.938 -3.305 4.255 1.00 0.00 H new ATOM 0 HZ PHE A 141 8.632 -4.852 5.143 1.00 0.00 H new ATOM 2146 N VAL A 142 4.167 -0.275 7.527 1.00 0.00 N ATOM 2147 CA VAL A 142 4.288 0.853 6.657 1.00 0.00 C ATOM 2148 C VAL A 142 4.879 2.083 7.254 1.00 0.00 C ATOM 2149 O VAL A 142 5.842 2.690 6.787 1.00 0.00 O ATOM 2150 CB VAL A 142 2.920 1.143 6.116 1.00 0.00 C ATOM 2151 CG1 VAL A 142 2.593 2.514 5.499 1.00 0.00 C ATOM 2152 CG2 VAL A 142 2.593 0.106 5.029 1.00 0.00 C ATOM 0 H VAL A 142 3.220 -0.651 7.579 1.00 0.00 H new ATOM 0 HA VAL A 142 5.004 0.578 5.883 1.00 0.00 H new ATOM 0 HB VAL A 142 2.325 1.115 7.029 1.00 0.00 H new ATOM 0 HG11 VAL A 142 1.555 2.525 5.167 1.00 0.00 H new ATOM 0 HG12 VAL A 142 2.744 3.294 6.245 1.00 0.00 H new ATOM 0 HG13 VAL A 142 3.249 2.695 4.647 1.00 0.00 H new ATOM 0 HG21 VAL A 142 1.600 0.303 4.625 1.00 0.00 H new ATOM 0 HG22 VAL A 142 3.330 0.173 4.229 1.00 0.00 H new ATOM 0 HG23 VAL A 142 2.617 -0.894 5.462 1.00 0.00 H new ATOM 2162 N GLN A 143 4.340 2.436 8.435 1.00 0.00 N ATOM 2163 CA GLN A 143 4.795 3.538 9.225 1.00 0.00 C ATOM 2164 C GLN A 143 6.222 3.428 9.642 1.00 0.00 C ATOM 2165 O GLN A 143 6.944 4.409 9.815 1.00 0.00 O ATOM 2166 CB GLN A 143 3.786 3.575 10.384 1.00 0.00 C ATOM 2167 CG GLN A 143 4.015 4.721 11.371 1.00 0.00 C ATOM 2168 CD GLN A 143 3.698 6.081 10.764 1.00 0.00 C ATOM 2169 OE1 GLN A 143 3.031 6.257 9.746 1.00 0.00 O ATOM 2170 NE2 GLN A 143 4.120 7.161 11.475 1.00 0.00 N ATOM 0 H GLN A 143 3.558 1.935 8.856 1.00 0.00 H new ATOM 0 HA GLN A 143 4.815 4.478 8.673 1.00 0.00 H new ATOM 0 HB2 GLN A 143 2.780 3.658 9.974 1.00 0.00 H new ATOM 0 HB3 GLN A 143 3.833 2.629 10.924 1.00 0.00 H new ATOM 0 HG2 GLN A 143 3.394 4.566 12.254 1.00 0.00 H new ATOM 0 HG3 GLN A 143 5.053 4.708 11.705 1.00 0.00 H new ATOM 0 HE21 GLN A 143 4.674 7.030 12.321 1.00 0.00 H new ATOM 0 HE22 GLN A 143 3.882 8.102 11.162 1.00 0.00 H new ATOM 2179 N MET A 144 6.670 2.172 9.816 1.00 0.00 N ATOM 2180 CA MET A 144 7.996 1.922 10.290 1.00 0.00 C ATOM 2181 C MET A 144 8.962 2.187 9.188 1.00 0.00 C ATOM 2182 O MET A 144 10.047 2.717 9.420 1.00 0.00 O ATOM 2183 CB MET A 144 8.122 0.477 10.800 1.00 0.00 C ATOM 2184 CG MET A 144 9.482 -0.064 11.246 1.00 0.00 C ATOM 2185 SD MET A 144 10.459 -0.830 9.919 1.00 0.00 S ATOM 2186 CE MET A 144 9.323 -2.083 9.257 1.00 0.00 C ATOM 0 H MET A 144 6.119 1.334 9.630 1.00 0.00 H new ATOM 0 HA MET A 144 8.218 2.585 11.126 1.00 0.00 H new ATOM 0 HB2 MET A 144 7.439 0.371 11.643 1.00 0.00 H new ATOM 0 HB3 MET A 144 7.757 -0.178 10.009 1.00 0.00 H new ATOM 0 HG2 MET A 144 10.059 0.752 11.680 1.00 0.00 H new ATOM 0 HG3 MET A 144 9.326 -0.799 12.036 1.00 0.00 H new ATOM 0 HE1 MET A 144 9.896 -2.873 8.771 1.00 0.00 H new ATOM 0 HE2 MET A 144 8.736 -2.509 10.071 1.00 0.00 H new ATOM 0 HE3 MET A 144 8.654 -1.621 8.531 1.00 0.00 H new ATOM 2196 N MET A 145 8.646 1.839 7.928 1.00 0.00 N ATOM 2197 CA MET A 145 9.581 2.025 6.862 1.00 0.00 C ATOM 2198 C MET A 145 9.672 3.372 6.231 1.00 0.00 C ATOM 2199 O MET A 145 10.740 3.744 5.747 1.00 0.00 O ATOM 2200 CB MET A 145 9.207 1.086 5.703 1.00 0.00 C ATOM 2201 CG MET A 145 9.322 -0.386 6.106 1.00 0.00 C ATOM 2202 SD MET A 145 9.833 -1.667 4.922 1.00 0.00 S ATOM 2203 CE MET A 145 11.410 -0.945 4.382 1.00 0.00 C ATOM 0 H MET A 145 7.753 1.433 7.649 1.00 0.00 H new ATOM 0 HA MET A 145 10.535 1.839 7.355 1.00 0.00 H new ATOM 0 HB2 MET A 145 8.188 1.296 5.379 1.00 0.00 H new ATOM 0 HB3 MET A 145 9.859 1.282 4.851 1.00 0.00 H new ATOM 0 HG2 MET A 145 10.022 -0.431 6.940 1.00 0.00 H new ATOM 0 HG3 MET A 145 8.347 -0.684 6.492 1.00 0.00 H new ATOM 0 HE1 MET A 145 12.034 -1.722 3.940 1.00 0.00 H new ATOM 0 HE2 MET A 145 11.220 -0.168 3.642 1.00 0.00 H new ATOM 0 HE3 MET A 145 11.924 -0.511 5.240 1.00 0.00 H new